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E3 ubiquitin-protein ligase TRIM47

E3 ubiquitin-protein ligase that mediates the ubiquitination and proteasomal degradation of CYLD.

AlphaFold DB , UniProt , Accession A0A096NSZ3, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM47, Length 640 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
1M36.1Very low61.9Low239 Ų23987.9 Ų87.9100%1.17753%0.53SS*.  0108.30-81.7178.7160.600105.3
2D29.8Very low63.9Low159 Ų15984.8 Ų84.885%0.8551%0.514SS*.  trans-132.7109.2160.1-83.1-37000106.8S4D2-S4 VanDerWaalsContact C-N 3.25Å; D2-S4 PolarHBondContact O-N 3.04Å
3S37.8Very low65.3Low133 Ų13388.2 Ų88.293%0.9353%0.527SS*.  trans-7578.1173.6-85.40000109
4S44.3Very low66.7Low81 Ų8189.5 Ų89.557%0.56653%0.525SS*.  trans-107.498.8165-49.60000106.9D2D2-S4 VanDerWaalsContact C-N 3.25Å; D2-S4 PolarHBondContact O-N 3.04Å
5G54.3Low67.9Low45 Ų4588.6 Ų88.646%0.46452%0.522SS..  trans-56.9157.9176.500000111.3F7 S8G5-F7 PolarHBondContact O-N 3.27Å; G5-S8 PolarHBondContact O-N 3.24Å; G5-S8 PolarHBondContact O-OG 3.45Å
6P60.8Low68.9Low114 Ų11483.8 Ų83.874%0.7449%0.493SS*.THydrogen-bonded Turntrans-61.86.8-172.718.5-28.6000116.3
7F77.1Confident69.7Low50 Ų5089.5 Ų89.522%0.21951%0.505CS..THydrogen-bonded Turntrans-136.421.9-172.8-65.5-79.8000113.3G5 L16 L73 L77 R80G5-F7 PolarHBondContact O-N 3.27Å; F7-L16 WeakPolarHBondContact O-CG 3.44Å; F7-L16 PolarHBondContact O-N 3.34Å; F7-L16 VanDerWaalsContact O-N 3.13Å; F7-L73 HydrophobicContact CD1-CD1 4.48Å; F7-L73 HydrophobicContact CE1-CD1 4.04Å; F7-L77 HydrophobicContact CB-CD2 3.7Å; F7-L77 HydrophobicContact CD1-CD2 3.72Å; F7-L77 HydrophobicContact CD1-CG 4.47Å; F7-L77 HydrophobicContact CG-CD2 3.89Å; F7-R80 VanDerWaalsContact CE2-CZ 3.45Å
8S84.1Confident70.5Confident35 Ų3590.3 Ų90.325%0.24550%0.504CS..BIsolated β-bridgetrans-92.1142.8175.151.10000110.8G5 P10G5-S8 PolarHBondContact O-N 3.24Å; G5-S8 PolarHBondContact O-OG 3.45Å; S8-P10 WeakPolarHBondContact O-CD 3.41Å
9C86.4Confident71.5Confident0 Ų085.7 Ų85.70%048%0.478CS..  trans-76.3126.1174.7-176.90000109.8I11 C12 L13 E14 L16 C29C9-I11 PolarHBondContact O-N 3.34Å; C9-I11 VanDerWaalsContact O-N 3.15Å; C9-C12 VanDerWaalsContact CB-SG 3.51Å; C9-L13 WeakPolarHBondContact O-CA 3.39Å; C9-L13 PolarHBondContact O-N 3.48Å; C9-E14 WeakPolarHBondContact CB-O 3.48Å; C9-E14 PolarHBondContact N-O 3.45Å; C9-L16 HydrophobicContact CB-CD2 3.82Å; C9-C29 WeakPolarHBondContact CB-SG 3.45Å; C9-C29 PolarHBondContact SG-N 3.31Å; C9-C29 VanDerWaalsContact SG-N 3.39Å; C9-C29 VanDerWaalsContact SG-SG 3.64Å
10P85.2Confident72.2Confident49 Ų4981.5 Ų81.532%0.31846%0.455SS..THydrogen-bonded Turntrans-66.9-16179.6-16.626.7000114.6S8 N27 F28 L56S8-P10 WeakPolarHBondContact O-CD 3.41Å; P10-N27 VanDerWaalsContact CD-O 3.28Å; P10-N27 WeakPolarHBondContact CD-O 3.42Å; P10-F28 HydrophobicContact CB-CE1 4.11Å; P10-F28 HydrophobicContact CG-CD1 4.08Å; P10-F28 HydrophobicContact CG-CE1 3.8Å; P10-L56 HydrophobicContact CB-CD1 3.86Å; P10-L56 HydrophobicContact CB-CD2 3.52Å; P10-L56 HydrophobicContact CB-CG 3.91Å; P10-L56 HydrophobicContact CG-CD1 3.36Å; P10-L56 HydrophobicContact CG-CD2 4.04Å; P10-L56 HydrophobicContact CG-CG 3.95Å
11I84.6Confident73Confident62 Ų6280 Ų8032%0.31845%0.448SS..THydrogen-bonded Turntrans-89.7-52-177.7-62.2163.9000110.6C9 F28 C32 L36C9-I11 PolarHBondContact O-N 3.34Å; C9-I11 VanDerWaalsContact O-N 3.15Å; I11-F28 HydrophobicContact CD1-CB 4.28Å; I11-F28 HydrophobicContact CD1-CD1 3.44Å; I11-F28 VanDerWaalsContact CD1-CD1 3.44Å; I11-F28 HydrophobicContact CD1-CE1 4.08Å; I11-F28 HydrophobicContact CD1-CG 4.13Å; I11-F28 HydrophobicContact CG1-CD1 3.78Å; I11-F28 HydrophobicContact CG1-CE1 4.14Å; I11-C32 HydrophobicContact CB-CB 3.88Å; I11-C32 HydrophobicContact CD1-CB 3.74Å; I11-C32 HydrophobicContact CG1-CB 4.43Å; I11-C32 HydrophobicContact CG2-CB 3.82Å; I11-L36 HydrophobicContact CD1-CD1 3.59Å; I11-L36 HydrophobicContact CG1-CD1 4.15Å
12C85.7Confident75.2Confident51 Ų5168.9 Ų68.935%0.34539%0.393SS..THydrogen-bonded Turntrans-99.8-4.5-177.666.30000114C9 E14 C32C9-C12 VanDerWaalsContact CB-SG 3.51Å; C12-E14 PolarHBondContact O-N 3.04Å; C12-C32 VanDerWaalsContact SG-SG 3.62Å
13L83.3Confident77.6Confident129 Ų12965.7 Ų65.768%0.67538%0.381SS*.  trans60.56.1-179-51.6179.4000115.4C9C9-L13 WeakPolarHBondContact O-CA 3.39Å; C9-L13 PolarHBondContact O-N 3.48Å
14E84.4Confident79.8Confident106 Ų10660.8 Ų60.850%0.49535%0.346SS..SBendtrans-94.2163.8176.9-68.5-63.5147.700112C9 C12 L16C9-E14 WeakPolarHBondContact CB-O 3.48Å; C9-E14 PolarHBondContact N-O 3.45Å; C12-E14 PolarHBondContact O-N 3.04Å; E14-L16 PolarHBondContact O-N 3Å
15P84.1Confident81.6Confident76 Ų7659 Ų5949%0.49434%0.341SS..BIsolated β-bridgetrans-51.9137.9169.6-25.134.3000111.8R17P15-R17 PolarHBondContact O-N 3.11Å
16L84.1Confident83.2Confident11 Ų1160 Ų606%0.05833%0.334CS..PPolyproline II helixtrans-56.2119.8-176.1-72.1161.5000112F7 C9 E14 P19 N27 F28 L73 L77F7-L16 WeakPolarHBondContact O-CG 3.44Å; F7-L16 PolarHBondContact O-N 3.34Å; F7-L16 VanDerWaalsContact O-N 3.13Å; C9-L16 HydrophobicContact CB-CD2 3.82Å; E14-L16 PolarHBondContact O-N 3Å; L16-P19 HydrophobicContact CB-CB 4.08Å; L16-P19 HydrophobicContact CD1-CB 4.35Å; L16-N27 HydrophobicContact CD1-CB 3.87Å; L16-N27 HydrophobicContact CD2-CB 4.37Å; L16-F28 VanDerWaalsContact CD2-C 3.41Å; L16-L73 HydrophobicContact CD1-CD2 3.64Å; L16-L77 HydrophobicContact CB-CD1 3.86Å
17R82.6Confident84.4Confident182 Ų18256.8 Ų56.869%0.68731%0.31SS*.SBendtrans-104.9121.6171.6-63.5-175.9-172.8177.73.2109P15 C29P15-R17 PolarHBondContact O-N 3.11Å; R17-C29 PolarHBondContact N-SG 3.49Å; R17-C29 VanDerWaalsContact O-CA 3.29Å; R17-C29 WeakPolarHBondContact O-CA 3.38Å; R17-C29 VanDerWaalsContact O-CB 3.29Å; R17-C29 WeakPolarHBondContact O-CB 3.49Å
18E84.4Confident85.1Confident104 Ų10454.4 Ų54.449%0.48630%0.3SS..SBendtrans49.865-172-59.4-175107.400111.1V20 L30E18-V20 PolarHBondContact O-N 2.65Å; E18-L30 HydrophobicContact CB-CB 3.92Å; E18-L30 VanDerWaalsContact O-CB 3.29Å; E18-L30 WeakPolarHBondContact O-CB 3.38Å; E18-L30 PolarHBondContact O-N 2.84Å
19P89Confident85.3Confident2 Ų253 Ų531%0.01329%0.289CS..EExtended strand (participates in β ladder)trans-58.8137.7-173.423.6-34.6000112.1L16 F28 K69 N70 L73 S74 L77L16-P19 HydrophobicContact CB-CB 4.08Å; L16-P19 HydrophobicContact CD1-CB 4.35Å; P19-F28 CarbonylContact C-O 3.58Å; P19-F28 WeakPolarHBondContact CA-O 3.41Å; P19-K69 CarbonylContact O-C 3.59Å; P19-K69 WeakPolarHBondContact O-CA 3.16Å; P19-N70 PolarHBondContact O-N 3.23Å; P19-L73 HydrophobicContact CB-CB 4.24Å; P19-L73 HydrophobicContact CB-CD2 3.37Å; P19-L73 HydrophobicContact CB-CG 4.31Å; P19-L73 HydrophobicContact CG-CB 3.89Å; P19-L73 HydrophobicContact CG-CD2 3.85Å; P19-L73 HydrophobicContact CG-CG 4.3Å; P19-S74 WeakPolarHBondContact CD-OG 3.32Å; P19-S74 WeakPolarHBondContact CG-OG 3.49Å; P19-L77 HydrophobicContact CG-CD1 3.95Å
20V86.6Confident85.3Confident2 Ų255.3 Ų55.31%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-119.8132.6172-1800000108.1E18 N27 F28 L30 L33 L67E18-V20 PolarHBondContact O-N 2.65Å; V20-N27 CarbonylContact O-C 3.59Å; V20-N27 VanDerWaalsContact O-CA 3.31Å; V20-N27 WeakPolarHBondContact O-CA 3.39Å; V20-F28 PolarHBondContact N-O 3.07Å; V20-F28 PolarHBondContact O-N 3.32Å; V20-L30 HydrophobicContact CG2-CB 3.63Å; V20-L30 HydrophobicContact CG2-CD1 3.44Å; V20-L30 VanDerWaalsContact CG2-CD1 3.44Å; V20-L30 HydrophobicContact CG2-CG 4.13Å; V20-L33 HydrophobicContact CB-CD2 4.46Å; V20-L33 HydrophobicContact CG1-CD2 4.12Å; V20-L67 HydrophobicContact CG1-CB 4.25Å; V20-L67 HydrophobicContact CG1-CD2 4.08Å
21T87.9Confident85.2Confident51 Ų5156.5 Ų56.531%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-104.3121.6176.2-48.20000109H26 N27 N70T21-H26 WeakPolarHBondContact CA-O 3.35Å; T21-N27 WeakPolarHBondContact CB-OD1 3.24Å; T21-N27 WeakPolarHBondContact CG2-OD1 3.22Å; T21-N27 PolarHBondContact OG1-OD1 3.32Å; T21-N70 PolarHBondContact OG1-ND2 3.03Å
22L83.6Confident85.3Confident4 Ų454.6 Ų54.62%0.02130%0.301CS..  trans-76.6162.5172-70.7-175.7000110.8C24 G25 H26 F28 L33 C54 F61 L65 L67L22-C24 PolarHBondContact O-N 2.94Å; L22-C24 VanDerWaalsContact O-N 3.09Å; L22-G25 PolarHBondContact O-N 3.26Å; L22-H26 PolarHBondContact N-O 3.08Å; L22-F28 HydrophobicContact CD1-CD2 4.18Å; L22-F28 HydrophobicContact CD1-CE2 3.71Å; L22-F28 HydrophobicContact CG-CD2 4.28Å; L22-F28 HydrophobicContact CG-CE2 4.18Å; L22-L33 HydrophobicContact CD2-CD2 3.88Å; L22-L33 HydrophobicContact CG-CD2 4.32Å; L22-C54 HydrophobicContact CD1-CB 3.81Å; L22-F61 HydrophobicContact CD1-CE1 4.04Å; L22-F61 HydrophobicContact CD2-CE1 4.15Å; L22-F61 HydrophobicContact CD2-CZ 4.2Å; L22-L65 HydrophobicContact CD2-CD2 4.28Å; L22-L67 HydrophobicContact CD2-CD2 4.2Å
23P79.8Confident85.1Confident92 Ų9252.6 Ų52.660%0.59729%0.287SS*.THydrogen-bonded Turntrans-55.3-28.6177.7-28.136.5000114.5G25 F61 L65P23-G25 PolarHBondContact O-N 3.25Å; P23-F61 HydrophobicContact CG-CB 4.07Å; P23-L65 HydrophobicContact CG-CD2 4.2Å
24C83.8Confident84.8Confident31 Ų3147.9 Ų47.921%0.20927%0.269CS..THydrogen-bonded Turntrans-72.2-0.2173.762.80000114.6L22 H26 C54 C57 E59L22-C24 PolarHBondContact O-N 2.94Å; L22-C24 VanDerWaalsContact O-N 3.09Å; C24-H26 VanDerWaalsContact C-N 3.33Å; C24-H26 PolarHBondContact O-N 3.45Å; C24-H26 PolarHBondContact SG-ND1 3.23Å; C24-H26 VanDerWaalsContact SG-ND1 3.35Å; C24-C54 PolarHBondContact SG-SG 3.18Å; C24-C57 VanDerWaalsContact SG-SG 3.61Å; C24-E59 HydrophobicContact CB-CB 4.19Å; C24-E59 WeakPolarHBondContact CB-OE2 3.28Å
25G82.1Confident84.3Confident44 Ų4446.6 Ų46.645%0.45428%0.277SS..SBendtrans84.1-6.1179.200000115.7L22 P23 N27L22-G25 PolarHBondContact O-N 3.26Å; P23-G25 PolarHBondContact O-N 3.25Å; G25-N27 PolarHBondContact O-ND2 2.94Å
26H87.8Confident83.6Confident66 Ų6647.9 Ų47.931%0.30628%0.28SS..  trans-75.1144.3177.5-68.8104000112.8T21 L22 C24 F28 L56 C57T21-H26 WeakPolarHBondContact CA-O 3.35Å; L22-H26 PolarHBondContact N-O 3.08Å; C24-H26 VanDerWaalsContact C-N 3.33Å; C24-H26 PolarHBondContact O-N 3.45Å; C24-H26 PolarHBondContact SG-ND1 3.23Å; C24-H26 VanDerWaalsContact SG-ND1 3.35Å; H26-F28 HydrophobicContact CB-CE2 3.67Å; H26-F28 HydrophobicContact CB-CZ 4.01Å; H26-L56 HydrophobicContact CB-CD1 4.05Å; H26-L56 WeakPolarHBondContact CD2-CD1 3.23Å; H26-C57 PolarHBondContact ND1-SG 3.48Å
27N86.9Confident83Confident46 Ų4652 Ų5225%0.24630%0.295CS..EExtended strand (participates in β ladder)trans-113.8133.7-174-59.9-76.5000111.9P10 L16 V20 T21 G25 L73P10-N27 VanDerWaalsContact CD-O 3.28Å; P10-N27 WeakPolarHBondContact CD-O 3.42Å; L16-N27 HydrophobicContact CD1-CB 3.87Å; L16-N27 HydrophobicContact CD2-CB 4.37Å; V20-N27 CarbonylContact O-C 3.59Å; V20-N27 VanDerWaalsContact O-CA 3.31Å; V20-N27 WeakPolarHBondContact O-CA 3.39Å; T21-N27 WeakPolarHBondContact CB-OD1 3.24Å; T21-N27 WeakPolarHBondContact CG2-OD1 3.22Å; T21-N27 PolarHBondContact OG1-OD1 3.32Å; G25-N27 PolarHBondContact O-ND2 2.94Å; N27-L73 HydrophobicContact CB-CD2 4.19Å
28F89.9Confident81.6Confident0 Ų048 Ų480%029%0.291CS..EExtended strand (participates in β ladder)trans-137.1161.1-180-56.4-85.8000110.9P10 I11 L16 P19 V20 L22 H26 L33 P55 L56P10-F28 HydrophobicContact CB-CE1 4.11Å; P10-F28 HydrophobicContact CG-CD1 4.08Å; P10-F28 HydrophobicContact CG-CE1 3.8Å; I11-F28 HydrophobicContact CD1-CB 4.28Å; I11-F28 HydrophobicContact CD1-CD1 3.44Å; I11-F28 VanDerWaalsContact CD1-CD1 3.44Å; I11-F28 HydrophobicContact CD1-CE1 4.08Å; I11-F28 HydrophobicContact CD1-CG 4.13Å; I11-F28 HydrophobicContact CG1-CD1 3.78Å; I11-F28 HydrophobicContact CG1-CE1 4.14Å; L16-F28 VanDerWaalsContact CD2-C 3.41Å; P19-F28 CarbonylContact C-O 3.58Å; P19-F28 WeakPolarHBondContact CA-O 3.41Å; V20-F28 PolarHBondContact N-O 3.07Å; V20-F28 PolarHBondContact O-N 3.32Å; L22-F28 HydrophobicContact CD1-CD2 4.18Å; L22-F28 HydrophobicContact CD1-CE2 3.71Å; L22-F28 HydrophobicContact CG-CD2 4.28Å; L22-F28 HydrophobicContact CG-CE2 4.18Å; H26-F28 HydrophobicContact CB-CE2 3.67Å; H26-F28 HydrophobicContact CB-CZ 4.01Å; F28-L33 HydrophobicContact CB-CB 4.35Å; F28-L33 HydrophobicContact CD2-CD1 4.29Å; F28-L33 HydrophobicContact CG-CD1 4.35Å; F28-P55 HydrophobicContact CE1-CB 4.29Å; F28-P55 HydrophobicContact CE1-CG 4.42Å; F28-P55 HydrophobicContact CZ-CB 4.37Å; F28-P55 HydrophobicContact CZ-CG 4.36Å; F28-L56 HydrophobicContact CE1-CD1 3.99Å; F28-L56 HydrophobicContact CE1-CG 3.81Å; F28-L56 HydrophobicContact CZ-CB 4.14Å; F28-L56 HydrophobicContact CZ-CD1 3.76Å; F28-L56 HydrophobicContact CZ-CG 3.68Å
29C90.2Very high79.9Confident4 Ų451.8 Ų51.83%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-69.8136.1167.1-56.70000109.5C9 R17 P31 C32 L33C9-C29 WeakPolarHBondContact CB-SG 3.45Å; C9-C29 PolarHBondContact SG-N 3.31Å; C9-C29 VanDerWaalsContact SG-N 3.39Å; C9-C29 VanDerWaalsContact SG-SG 3.64Å; R17-C29 PolarHBondContact N-SG 3.49Å; R17-C29 VanDerWaalsContact O-CA 3.29Å; R17-C29 WeakPolarHBondContact O-CA 3.38Å; R17-C29 VanDerWaalsContact O-CB 3.29Å; R17-C29 WeakPolarHBondContact O-CB 3.49Å; C29-P31 VanDerWaalsContact C-CD 3.46Å; C29-P31 VanDerWaalsContact C-N 3.31Å; C29-C32 HydrophobicContact CB-CB 3.96Å; C29-C32 WeakPolarHBondContact O-CB 3.42Å; C29-C32 PolarHBondContact O-N 3.36Å; C29-L33 PolarHBondContact O-N 3.1Å
30L85.1Confident77.9Confident49 Ų4961 Ų6126%0.25734%0.344SS..Hα-helixtrans-50.8-44.2174.7-177.971.2000112.5E18 V20 C32 L33 G34 L67E18-L30 HydrophobicContact CB-CB 3.92Å; E18-L30 VanDerWaalsContact O-CB 3.29Å; E18-L30 WeakPolarHBondContact O-CB 3.38Å; E18-L30 PolarHBondContact O-N 2.84Å; V20-L30 HydrophobicContact CG2-CB 3.63Å; V20-L30 HydrophobicContact CG2-CD1 3.44Å; V20-L30 VanDerWaalsContact CG2-CD1 3.44Å; V20-L30 HydrophobicContact CG2-CG 4.13Å; L30-C32 PolarHBondContact O-N 3.15Å; L30-L33 PolarHBondContact O-N 3.09Å; L30-G34 PolarHBondContact O-N 3.01Å; L30-L67 HydrophobicContact CD1-CB 3.76Å
31P83.6Confident75.5Confident74 Ų7463.6 Ų63.648%0.48137%0.371SS..Hα-helixtrans-66.4-36.4176.7-2133.8000113.7C29 G34 A35C29-P31 VanDerWaalsContact C-CD 3.46Å; C29-P31 VanDerWaalsContact C-N 3.31Å; P31-G34 PolarHBondContact O-N 3.46Å; P31-A35 WeakPolarHBondContact O-CB 3.22Å; P31-A35 PolarHBondContact O-N 3.09Å
32C85.9Confident73.1Confident22 Ų2266.1 Ų66.115%0.14940%0.397CS..Hα-helixtrans-67.6-41179.8-67.80000111.5I11 C12 C29 L30 L36I11-C32 HydrophobicContact CB-CB 3.88Å; I11-C32 HydrophobicContact CD1-CB 3.74Å; I11-C32 HydrophobicContact CG1-CB 4.43Å; I11-C32 HydrophobicContact CG2-CB 3.82Å; C12-C32 VanDerWaalsContact SG-SG 3.62Å; C29-C32 HydrophobicContact CB-CB 3.96Å; C29-C32 WeakPolarHBondContact O-CB 3.42Å; C29-C32 PolarHBondContact O-N 3.36Å; L30-C32 PolarHBondContact O-N 3.15Å; C32-L36 PolarHBondContact O-N 3.18Å
33L83.1Confident70.6Confident9 Ų971.8 Ų71.85%0.04744%0.437CS..Hα-helixtrans-73.8-36.3177.4-16165.2000111.4V20 L22 F28 C29 L30 L36 W37 P55 L67V20-L33 HydrophobicContact CB-CD2 4.46Å; V20-L33 HydrophobicContact CG1-CD2 4.12Å; L22-L33 HydrophobicContact CD2-CD2 3.88Å; L22-L33 HydrophobicContact CG-CD2 4.32Å; F28-L33 HydrophobicContact CB-CB 4.35Å; F28-L33 HydrophobicContact CD2-CD1 4.29Å; F28-L33 HydrophobicContact CG-CD1 4.35Å; C29-L33 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.09Å; L33-L36 PolarHBondContact O-N 3.03Å; L33-W37 WeakPolarHBondContact O-CB 3.49Å; L33-W37 PolarHBondContact O-N 3.19Å; L33-P55 HydrophobicContact CD1-CG 4.01Å; L33-L67 HydrophobicContact CB-CD1 4.19Å; L33-L67 HydrophobicContact CD2-CD1 3.72Å; L33-L67 HydrophobicContact CD2-CD2 3.58Å; L33-L67 HydrophobicContact CD2-CG 4.25Å; L33-L67 HydrophobicContact CG-CD1 3.86Å; L33-L67 HydrophobicContact CG-CD2 4.49Å
34G76Confident68.8Low30 Ų3071.5 Ų71.531%0.30945%0.451SS..Hα-helixtrans-67.1-32.2174.400000114.3L30 P31 W37L30-G34 PolarHBondContact O-N 3.01Å; P31-G34 PolarHBondContact O-N 3.46Å; G34-W37 CarbonylContact O-C 3.59Å; G34-W37 PolarHBondContact O-N 3.09Å
35A74.5Confident66.5Low80 Ų8075 Ų7566%0.66148%0.482SS*.Hα-helixtrans-69.9-32.9174.700000112.8P31 W37P31-A35 WeakPolarHBondContact O-CB 3.22Å; P31-A35 PolarHBondContact O-N 3.09Å; A35-W37 VanDerWaalsContact C-N 3.33Å
36L69.3Low64Low103 Ų10376.8 Ų76.854%0.53950%0.5SS..Hα-helixtrans-78.4-20.7172.8-67.9172.8000112.5I11 C32 L33 P38 P55I11-L36 HydrophobicContact CD1-CD1 3.59Å; I11-L36 HydrophobicContact CG1-CD1 4.15Å; C32-L36 PolarHBondContact O-N 3.18Å; L33-L36 PolarHBondContact O-N 3.03Å; L36-P38 VanDerWaalsContact C-CD 3.49Å; L36-P55 HydrophobicContact CD1-CB 4.43Å; L36-P55 HydrophobicContact CD1-CG 4.01Å
37W71.4Confident61.3Low98 Ų9876.8 Ų76.837%0.37152%0.518SS..SBendtrans-128.465.6-177.5-164.7-95.8000112L33 G34 A35 H39 A52L33-W37 WeakPolarHBondContact O-CB 3.49Å; L33-W37 PolarHBondContact O-N 3.19Å; G34-W37 CarbonylContact O-C 3.59Å; G34-W37 PolarHBondContact O-N 3.09Å; A35-W37 VanDerWaalsContact C-N 3.33Å; W37-H39 PolarHBondContact O-N 3.31Å; W37-A52 HydrophobicContact CE3-CB 4.27Å; W37-A52 HydrophobicContact CH2-CB 3.29Å; W37-A52 HydrophobicContact CZ2-CB 3.71Å; W37-A52 HydrophobicContact CZ3-CB 3.6Å
38P53.1Low59Low96 Ų9681.1 Ų81.162%0.62355%0.549SS*.  trans-63.3136.1176.624.3-30.3000110.3L36 R40L36-P38 VanDerWaalsContact C-CD 3.49Å; P38-R40 PolarHBondContact O-N 3.15Å; P38-R40 VanDerWaalsContact O-N 3.07Å
39H48.6Very low57Low184 Ų18484.3 Ų84.385%0.85258%0.581SS**  trans-36.4107.1-175.1-69.2-38.8000114.9W37 G41W37-H39 PolarHBondContact O-N 3.31Å; H39-G41 PolarHBondContact O-N 3.1Å
40R46.1Very low55.1Low196 Ų19686.3 Ų86.374%0.7460%0.603SS**  trans-73.268.8152.5-76.8-172.6173-158.7-2.7109.2P38P38-R40 PolarHBondContact O-N 3.15Å; P38-R40 VanDerWaalsContact O-N 3.07Å
41G36.9Very low54Low57 Ų5786.5 Ų86.559%0.58861%0.611SS**  trans-135.3116.5176.500000110.2H39H39-G41 PolarHBondContact O-N 3.1Å
42A36.5Very low53.4Low103 Ų10383.1 Ų83.185%0.85159%0.589SS**SBendtrans74.866.7167.600000118.3
43S32.4Very low53.2Low123 Ų12388.8 Ų88.886%0.8661%0.608SS**  trans-172.4125.9132.530.70000109.3A45S43-A45 PolarHBondContact O-N 3.47Å
44G40.9Very low53.2Low87 Ų8788.5 Ų88.590%0.89761%0.607SS**  trans-71.1118.4179.900000111.1
45A36.4Very low53.5Low104 Ų10490 Ų9086%0.8661%0.611SS**  trans169.7123.7144.100000110.1S43S43-A45 PolarHBondContact O-N 3.47Å
46G30.2Very low53.9Low81 Ų8190.4 Ų90.484%0.83560%0.601SS**  trans118.6103.3152.200000118.3
47G30.1Very low54.7Low66 Ų6688 Ų8868%0.6859%0.592SS**  trans100.8133146.900000117.7
48P39Very low55.2Low138 Ų13889.1 Ų89.190%0.89660%0.602SS**  trans-77.8124.9-174.831.8-31.7000112.7G50P48-G50 PolarHBondContact O-N 3.41Å
49G47.1Very low56.5Low66 Ų6689.5 Ų89.568%0.6860%0.595SS**  66.644.5127.200000120.2
50G51.7Low57.9Low47 Ų4784.4 Ų84.449%0.48558%0.579SS.*  trans-86.6102.5162.900000110.8P48 A52P48-G50 PolarHBondContact O-N 3.41Å; G50-A52 PolarHBondContact O-N 3.05Å
51A61.8Low59.2Low52 Ų5276.3 Ų76.343%0.4355%0.549SS..  trans-57.8134.3175.200000110.7P60 D63A51-P60 HydrophobicContact CB-CB 4.36Å; A51-D63 WeakPolarHBondContact CA-OD1 3Å
52A70.3Confident60.8Low3 Ų378 Ų783%0.02555%0.55CS..  trans-58.4136.5175.900000111.3W37 G50 P60 F61 D63W37-A52 HydrophobicContact CE3-CB 4.27Å; W37-A52 HydrophobicContact CH2-CB 3.29Å; W37-A52 HydrophobicContact CZ2-CB 3.71Å; W37-A52 HydrophobicContact CZ3-CB 3.6Å; G50-A52 PolarHBondContact O-N 3.05Å; A52-P60 WeakPolarHBondContact O-CA 3.33Å; A52-F61 HydrophobicContact CB-CD2 3.79Å; A52-F61 HydrophobicContact CB-CE1 4.05Å; A52-F61 HydrophobicContact CB-CE2 3.22Å; A52-F61 HydrophobicContact CB-CG 4.41Å; A52-F61 HydrophobicContact CB-CZ 3.37Å; A52-F61 WeakPolarHBondContact O-CD1 3.3Å; A52-F61 PolarHBondContact O-N 3.34Å; A52-D63 PolarHBondContact N-OD1 2.96Å
53R81Confident62.1Low142 Ų14277.8 Ų77.854%0.53653%0.534SS..BIsolated β-bridgetrans-124.3146.9-175.7-71.4-178.7135.9-147.1-7.8112.3Q58 E59 P60 F61R53-Q58 VanDerWaalsContact CZ-O 3.25Å; R53-Q58 PolarHBondContact NE-O 2.96Å; R53-Q58 VanDerWaalsContact NE-O 3.16Å; R53-E59 WeakPolarHBondContact CA-O 3.46Å; R53-P60 HydrophobicContact CG-CB 4.32Å; R53-F61 VanDerWaalsContact C-CE1 3.4Å
54C84.3Confident63.6Low3 Ų375.3 Ų75.32%0.0253%0.528CS..  trans-63.5130.8174.9177.10000111.4L22 C24 L56 C57 Q58 E59L22-C54 HydrophobicContact CD1-CB 3.81Å; C24-C54 PolarHBondContact SG-SG 3.18Å; C54-L56 PolarHBondContact O-N 3.4Å; C54-L56 PolarHBondContact SG-N 3.07Å; C54-L56 VanDerWaalsContact SG-N 3.4Å; C54-C57 VanDerWaalsContact CB-SG 3.53Å; C54-Q58 WeakPolarHBondContact O-CA 3.4Å; C54-Q58 PolarHBondContact O-N 2.96Å; C54-E59 PolarHBondContact N-O 2.94Å
55P82.7Confident65Low62 Ų6274.4 Ų74.440%0.40350%0.502SS..THydrogen-bonded Turntrans-63-21.2177.3-25.134.7000115.1F28 L33 L36F28-P55 HydrophobicContact CE1-CB 4.29Å; F28-P55 HydrophobicContact CE1-CG 4.42Å; F28-P55 HydrophobicContact CZ-CB 4.37Å; F28-P55 HydrophobicContact CZ-CG 4.36Å; L33-P55 HydrophobicContact CD1-CG 4.01Å; L36-P55 HydrophobicContact CD1-CB 4.43Å; L36-P55 HydrophobicContact CD1-CG 4.01Å
56L83.1Confident66.7Low87 Ų8776.4 Ų76.446%0.45549%0.493SS..THydrogen-bonded Turntrans-93.8-55.8-179.8-77.9178.1000113.5P10 H26 F28 C54P10-L56 HydrophobicContact CB-CD1 3.86Å; P10-L56 HydrophobicContact CB-CD2 3.52Å; P10-L56 HydrophobicContact CB-CG 3.91Å; P10-L56 HydrophobicContact CG-CD1 3.36Å; P10-L56 HydrophobicContact CG-CD2 4.04Å; P10-L56 HydrophobicContact CG-CG 3.95Å; H26-L56 HydrophobicContact CB-CD1 4.05Å; H26-L56 WeakPolarHBondContact CD2-CD1 3.23Å; F28-L56 HydrophobicContact CE1-CD1 3.99Å; F28-L56 HydrophobicContact CE1-CG 3.81Å; F28-L56 HydrophobicContact CZ-CB 4.14Å; F28-L56 HydrophobicContact CZ-CD1 3.76Å; F28-L56 HydrophobicContact CZ-CG 3.68Å; C54-L56 PolarHBondContact O-N 3.4Å; C54-L56 PolarHBondContact SG-N 3.07Å; C54-L56 VanDerWaalsContact SG-N 3.4Å
57C84.9Confident69Low52 Ų5274.7 Ų74.735%0.35147%0.465SS..THydrogen-bonded Turntrans-102.8-2.6-173.562.90000113.9C24 H26 C54 E59C24-C57 VanDerWaalsContact SG-SG 3.61Å; H26-C57 PolarHBondContact ND1-SG 3.48Å; C54-C57 VanDerWaalsContact CB-SG 3.53Å; C57-E59 PolarHBondContact O-N 3.39Å; C57-E59 VanDerWaalsContact SG-CB 3.55Å
58Q81.8Confident71.2Confident122 Ų12280.4 Ų80.457%0.5747%0.466SS*.  trans58.412.8-177-52.8-171.411.800115.5R53 C54R53-Q58 VanDerWaalsContact CZ-O 3.25Å; R53-Q58 PolarHBondContact NE-O 2.96Å; R53-Q58 VanDerWaalsContact NE-O 3.16Å; C54-Q58 WeakPolarHBondContact O-CA 3.4Å; C54-Q58 PolarHBondContact O-N 2.96Å
59E80.6Confident73.3Confident104 Ų10479 Ų7949%0.48645%0.446SS..  trans-65.4127.7177.4-163.1171.7176.900110C24 R53 C54 C57C24-E59 HydrophobicContact CB-CB 4.19Å; C24-E59 WeakPolarHBondContact CB-OE2 3.28Å; R53-E59 WeakPolarHBondContact CA-O 3.46Å; C54-E59 PolarHBondContact N-O 2.94Å; C57-E59 PolarHBondContact O-N 3.39Å; C57-E59 VanDerWaalsContact SG-CB 3.55Å
60P78.3Confident75.1Confident78 Ų7878.2 Ų78.251%0.50643%0.426SS..BIsolated β-bridgetrans-72.8143.5179.530.3-33.4000110.7A51 A52 R53A51-P60 HydrophobicContact CB-CB 4.36Å; A52-P60 WeakPolarHBondContact O-CA 3.33Å; R53-P60 HydrophobicContact CG-CB 4.32Å
61F72.6Confident76.5Confident26 Ų2681.1 Ų81.111%0.11443%0.427CS..  trans-130.6160.717457.1-95.8000111.1L22 P23 A52 R53 L65L22-F61 HydrophobicContact CD1-CE1 4.04Å; L22-F61 HydrophobicContact CD2-CE1 4.15Å; L22-F61 HydrophobicContact CD2-CZ 4.2Å; P23-F61 HydrophobicContact CG-CB 4.07Å; A52-F61 HydrophobicContact CB-CD2 3.79Å; A52-F61 HydrophobicContact CB-CE1 4.05Å; A52-F61 HydrophobicContact CB-CE2 3.22Å; A52-F61 HydrophobicContact CB-CG 4.41Å; A52-F61 HydrophobicContact CB-CZ 3.37Å; A52-F61 WeakPolarHBondContact O-CD1 3.3Å; A52-F61 PolarHBondContact O-N 3.34Å; R53-F61 VanDerWaalsContact C-CE1 3.4Å; F61-L65 HydrophobicContact CD2-CB 4.04Å; F61-L65 HydrophobicContact CD2-CD2 3.7Å; F61-L65 HydrophobicContact CE2-CB 4.28Å; F61-L65 HydrophobicContact CE2-CD2 4.02Å; F61-L65 HydrophobicContact CG-CD2 4.36Å
62P71.1Confident77.5Confident93 Ų9383.1 Ų83.160%0.60443%0.434SS*.  trans-59.4138.2-172.5-24.934.5000113.6G64 L65P62-G64 PolarHBondContact O-N 2.96Å; P62-L65 PolarHBondContact O-N 3.06Å
63D64.2Low78Confident98 Ų9884.1 Ų84.152%0.52444%0.438SS..THydrogen-bonded Turntrans-62.8130.7173.8-73.8-27.5000110.5A51 A52A51-D63 WeakPolarHBondContact CA-OD1 3Å; A52-D63 PolarHBondContact N-OD1 2.96Å
64G63.7Low78Confident70 Ų7078.4 Ų78.472%0.72242%0.42SS*.THydrogen-bonded Turntrans91.89.8-177.300000115.3P62 Q66P62-G64 PolarHBondContact O-N 2.96Å; G64-Q66 PolarHBondContact O-N 3.38Å; G64-Q66 VanDerWaalsContact O-N 3.07Å
65L70.9Confident77.8Confident69 Ų6983.7 Ų83.736%0.36145%0.445SS..  trans-55.6114.3171.2-172.372.6000110.4L22 P23 F61 P62 L67L22-L65 HydrophobicContact CD2-CD2 4.28Å; P23-L65 HydrophobicContact CG-CD2 4.2Å; F61-L65 HydrophobicContact CD2-CB 4.04Å; F61-L65 HydrophobicContact CD2-CD2 3.7Å; F61-L65 HydrophobicContact CE2-CB 4.28Å; F61-L65 HydrophobicContact CE2-CD2 4.02Å; F61-L65 HydrophobicContact CG-CD2 4.36Å; P62-L65 PolarHBondContact O-N 3.06Å; L65-L67 PolarHBondContact O-N 3.46Å
66Q71.8Confident77.6Confident145 Ų14584.9 Ų84.968%0.67845%0.447SS*.  trans-75.1114.5172.1-69.3-163.3900109.4G64 R68G64-Q66 PolarHBondContact O-N 3.38Å; G64-Q66 VanDerWaalsContact O-N 3.07Å; Q66-R68 PolarHBondContact O-N 3.12Å; Q66-R68 VanDerWaalsContact O-N 3.14Å
67L77.5Confident77.4Confident46 Ų4681.4 Ų81.424%0.24143%0.429CS..  trans-66.1112.3173.9-57.1178.6000108.9V20 L22 L30 L33 L65V20-L67 HydrophobicContact CG1-CB 4.25Å; V20-L67 HydrophobicContact CG1-CD2 4.08Å; L22-L67 HydrophobicContact CD2-CD2 4.2Å; L30-L67 HydrophobicContact CD1-CB 3.76Å; L33-L67 HydrophobicContact CB-CD1 4.19Å; L33-L67 HydrophobicContact CD2-CD1 3.72Å; L33-L67 HydrophobicContact CD2-CD2 3.58Å; L33-L67 HydrophobicContact CD2-CG 4.25Å; L33-L67 HydrophobicContact CG-CD1 3.86Å; L33-L67 HydrophobicContact CG-CD2 4.49Å; L65-L67 PolarHBondContact O-N 3.46Å
68R76.5Confident76.9Confident186 Ų18685.3 Ų85.370%0.70244%0.442SS*.  trans-113.2142.4175.2-65.8-177.2-179.8-174.30.5109.1Q66 N70Q66-R68 PolarHBondContact O-N 3.12Å; Q66-R68 VanDerWaalsContact O-N 3.14Å; R68-N70 PolarHBondContact O-N 3.32Å
69K84.3Confident76.3Confident109 Ų10985.8 Ų85.847%0.47445%0.448SS..  trans-60.4135.6172.352.4163.9-172.3-174.80110.3P19 H71P19-K69 CarbonylContact O-C 3.59Å; P19-K69 WeakPolarHBondContact O-CA 3.16Å; K69-H71 WeakPolarHBondContact CE-NE2 3.38Å; K69-H71 PolarHBondContact O-CD2 3.38Å; K69-H71 PolarHBondContact O-N 3.29Å
70N84.4Confident75.6Confident48 Ų4888.1 Ų88.126%0.25745%0.452SS..  trans-79.2104171-174.7-35.2000108.3P19 T21 R68 T72 L73 S74P19-N70 PolarHBondContact O-N 3.23Å; T21-N70 PolarHBondContact OG1-ND2 3.03Å; R68-N70 PolarHBondContact O-N 3.32Å; N70-T72 PolarHBondContact OD1-N 3.38Å; N70-L73 HydrophobicContact CB-CB 4.05Å; N70-L73 PolarHBondContact OD1-N 3.26Å; N70-S74 WeakPolarHBondContact O-CB 3.19Å; N70-S74 PolarHBondContact O-N 3.16Å; N70-S74 PolarHBondContact O-OG 3.35Å
71H81.3Confident74.8Confident109 Ų10991.3 Ų91.351%0.50546%0.46SS..Hα-helixtrans-65-42.5-176.3-57.8170.4000111.4K69 L73 S74 E75K69-H71 WeakPolarHBondContact CE-NE2 3.38Å; K69-H71 PolarHBondContact O-CD2 3.38Å; K69-H71 PolarHBondContact O-N 3.29Å; H71-L73 PolarHBondContact O-N 2.7Å; H71-S74 WeakPolarHBondContact O-CB 3.37Å; H71-S74 PolarHBondContact O-N 3.33Å; H71-S74 VanDerWaalsContact O-N 3.12Å; H71-E75 WeakPolarHBondContact O-CG 3.36Å; H71-E75 PolarHBondContact O-N 2.89Å
72T81.6Confident73.6Confident94 Ų9493.2 Ų93.258%0.57749%0.487SS*.Hα-helixtrans-61.4-45178.8-48.30000111.9N70 S74 E75 L76N70-T72 PolarHBondContact OD1-N 3.38Å; T72-S74 VanDerWaalsContact C-N 3.3Å; T72-S74 PolarHBondContact O-N 2.81Å; T72-E75 PolarHBondContact O-N 3.05Å; T72-L76 WeakPolarHBondContact O-CG 3.48Å; T72-L76 PolarHBondContact O-N 2.7Å; T72-L76 VanDerWaalsContact O-N 3.07Å
73L81.8Confident72.2Confident23 Ų2393.6 Ų93.612%0.1249%0.492CS..Hα-helixtrans-67.3-35.2176.5-153.786.3000111.1F7 L16 P19 N27 N70 H71 L76 L77F7-L73 HydrophobicContact CD1-CD1 4.48Å; F7-L73 HydrophobicContact CE1-CD1 4.04Å; L16-L73 HydrophobicContact CD1-CD2 3.64Å; P19-L73 HydrophobicContact CB-CB 4.24Å; P19-L73 HydrophobicContact CB-CD2 3.37Å; P19-L73 HydrophobicContact CB-CG 4.31Å; P19-L73 HydrophobicContact CG-CB 3.89Å; P19-L73 HydrophobicContact CG-CD2 3.85Å; P19-L73 HydrophobicContact CG-CG 4.3Å; N27-L73 HydrophobicContact CB-CD2 4.19Å; N70-L73 HydrophobicContact CB-CB 4.05Å; N70-L73 PolarHBondContact OD1-N 3.26Å; H71-L73 PolarHBondContact O-N 2.7Å; L73-L76 PolarHBondContact O-N 3.4Å; L73-L77 WeakPolarHBondContact O-CD1 2.98Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.42Å
74S80.4Confident70.8Confident22 Ų2291.9 Ų91.915%0.15450%0.497CS..Hα-helixtrans-63.7-42.4176.4-56.80000112P19 N70 H71 T72 L77 Q78P19-S74 WeakPolarHBondContact CD-OG 3.32Å; P19-S74 WeakPolarHBondContact CG-OG 3.49Å; N70-S74 WeakPolarHBondContact O-CB 3.19Å; N70-S74 PolarHBondContact O-N 3.16Å; N70-S74 PolarHBondContact O-OG 3.35Å; H71-S74 WeakPolarHBondContact O-CB 3.37Å; H71-S74 PolarHBondContact O-N 3.33Å; H71-S74 VanDerWaalsContact O-N 3.12Å; T72-S74 VanDerWaalsContact C-N 3.3Å; T72-S74 PolarHBondContact O-N 2.81Å; S74-L77 PolarHBondContact O-N 2.91Å; S74-Q78 WeakPolarHBondContact O-CG 3.5Å; S74-Q78 PolarHBondContact O-N 2.86Å; S74-Q78 VanDerWaalsContact O-N 3.12Å
75E79.9Confident69.6Low115 Ų11595.1 Ų95.154%0.53751%0.506SS..Hα-helixtrans-65.8-42.6176.6-72.8168.2-169.300111.7H71 T72 L77 Q78 L79H71-E75 WeakPolarHBondContact O-CG 3.36Å; H71-E75 PolarHBondContact O-N 2.89Å; T72-E75 PolarHBondContact O-N 3.05Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.7Å; E75-Q78 PolarHBondContact O-N 2.87Å; E75-Q78 VanDerWaalsContact O-N 3.16Å; E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 3.1Å
76L80.1Confident67.8Low87 Ų8795 Ų9546%0.45552%0.521SS..Hα-helixtrans-62.4-35.9175.5-71.6172.6000112.8T72 L73 R80T72-L76 WeakPolarHBondContact O-CG 3.48Å; T72-L76 PolarHBondContact O-N 2.7Å; T72-L76 VanDerWaalsContact O-N 3.07Å; L73-L76 PolarHBondContact O-N 3.4Å; L76-R80 PolarHBondContact O-N 2.95Å
77L77.4Confident66.1Low13 Ų1394.5 Ų94.57%0.06853%0.53CS..Hα-helixtrans-69.7-34.3175.4-69.6168.2000112.1F7 L16 P19 L73 S74 E75 Q81F7-L77 HydrophobicContact CB-CD2 3.7Å; F7-L77 HydrophobicContact CD1-CD2 3.72Å; F7-L77 HydrophobicContact CD1-CG 4.47Å; F7-L77 HydrophobicContact CG-CD2 3.89Å; L16-L77 HydrophobicContact CB-CD1 3.86Å; P19-L77 HydrophobicContact CG-CD1 3.95Å; L73-L77 WeakPolarHBondContact O-CD1 2.98Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.42Å; S74-L77 PolarHBondContact O-N 2.91Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.7Å; L77-Q81 VanDerWaalsContact O-CG 3.31Å; L77-Q81 WeakPolarHBondContact O-CG 3.36Å; L77-Q81 PolarHBondContact O-N 3.36Å; L77-Q81 PolarHBondContact O-NE2 2.65Å
78Q74.2Confident64Low135 Ų13595.8 Ų95.863%0.63156%0.555SS**Hα-helixtrans-71.7-41.5176.5-71.6173.228.500112S74 E75 R80 Q81 G82S74-Q78 WeakPolarHBondContact O-CG 3.5Å; S74-Q78 PolarHBondContact O-N 2.86Å; S74-Q78 VanDerWaalsContact O-N 3.12Å; E75-Q78 PolarHBondContact O-N 2.87Å; E75-Q78 VanDerWaalsContact O-N 3.16Å; Q78-R80 VanDerWaalsContact C-N 3.26Å; Q78-R80 PolarHBondContact O-N 2.84Å; Q78-Q81 PolarHBondContact O-N 3.29Å; Q78-G82 PolarHBondContact O-N 3.2Å
79L70.9Confident61.8Low132 Ų13293.1 Ų93.169%0.69156%0.562SS**Hα-helixtrans-60.3-33.6177.1-74.7166.1000112.8E75E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 3.1Å
80R64.3Low59.3Low152 Ų15291.4 Ų91.457%0.57458%0.575SS**Hα-helixtrans-73.5-32.1172.9-74.7-162.7-154.3-129.9-11.7114.3F7 L76 Q78 G82 S83F7-R80 VanDerWaalsContact CE2-CZ 3.45Å; L76-R80 PolarHBondContact O-N 2.95Å; Q78-R80 VanDerWaalsContact C-N 3.26Å; Q78-R80 PolarHBondContact O-N 2.84Å; R80-G82 VanDerWaalsContact C-N 3.33Å; R80-S83 PolarHBondContact O-OG 2.98Å
81Q61.4Low57.5Low145 Ų14595.7 Ų95.768%0.67861%0.606SS**Hα-helixtrans-82.1-16.2-177.8-69.917346.500112L77 Q78L77-Q81 VanDerWaalsContact O-CG 3.31Å; L77-Q81 WeakPolarHBondContact O-CG 3.36Å; L77-Q81 PolarHBondContact O-N 3.36Å; L77-Q81 PolarHBondContact O-NE2 2.65Å; Q78-Q81 PolarHBondContact O-N 3.29Å
82G47.9Very low54.9Low66 Ų6693.8 Ų93.868%0.6862%0.615SS**THydrogen-bonded Turntrans-84.2-2.4178.400000116.4Q78 R80Q78-G82 PolarHBondContact O-N 3.2Å; R80-G82 VanDerWaalsContact C-N 3.33Å
83S42.8Very low52.8Low102 Ų10295.4 Ų95.471%0.71363%0.628SS**  trans-101.482.2176.656.30000111.6R80R80-S83 PolarHBondContact O-OG 2.98Å
84G33.6Very low50.6Low61 Ų6199 Ų9963%0.62966%0.66SS**  trans-140.1139166.900000110.3
85P39.3Very low48.2Very low139 Ų139104 Ų10490%0.90369%0.693SS**PPolyproline II helixtrans-77.9130.1-168.331.9-32.5000111.6
86G32.4Very low45.8Very low66 Ų66103 Ų10368%0.6870%0.704SS**PPolyproline II helixtrans-87.3150.6165.900000111.6
87P36Very low44.6Very low134 Ų134105 Ų10587%0.8772%0.722SS**PPolyproline II helixtrans-76.5135.9-16932.5-33.1000111.5
88G33.2Very low42.2Very low73 Ų73109.1 Ų109.175%0.75376%0.758SS**  trans-81179.9176.200000113.8
89P31.7Very low40.3Very low130 Ų130108.6 Ų108.684%0.84477%0.766SS**  trans-124.2128.8146.233.1-19.9000112.2
90G30.1Very low38.6Very low74 Ų74111.3 Ų111.376%0.76378%0.775SS**  trans74.7127.8136.400000120.5
91P46.6Very low37.1Very low138 Ų138109.7 Ų109.790%0.89678%0.784SS**  trans-90.8152.7-17536.7-33000113.8
92G27.8Very low35.6Very low68 Ų68108.5 Ų108.570%0.70179%0.792SS**  trans-140.8147.116500000110.2
93P36.7Very low34.9Very low129 Ų129111.9 Ų111.984%0.83880%0.799SS**  trans-88153.9-148.834.4-34.8000114.6
94A37Very low34.5Very low98 Ų98112.3 Ų112.381%0.8180%0.799SS**  trans-74.2159172.900000112.9
95P29.3Very low34.3Very low128 Ų128115 Ų11583%0.83181%0.809SS**  trans-128.8150136.733.6-20.7000112.7
96A29.8Very low33.6Very low94 Ų94112.8 Ų112.878%0.77780%0.802SS**  trans-100.2-168.1172.100000110.3
97P53.4Low33.9Very low129 Ų129115.4 Ų115.484%0.83881%0.807SS**  -121.2175.5-85.735.9-19.5000112.1
98A28.1Very low34.3Very low99 Ų99114.2 Ų114.282%0.81880%0.799SS**  trans-152.1155.3166.400000112.8
99P34Very low34Very low123 Ų123116.4 Ų116.480%0.79980%0.803SS**  trans-108.9165.7-144.139-30.4000115.6
100E35.9Very low33.9Very low190 Ų190114.6 Ų114.689%0.88880%0.799SS**  trans-70.5156.1170.1-66.7-172132.800113.2
101P31.6Very low34Very low118 Ų118116.9 Ų116.977%0.76680%0.801SS**  trans-113.4129.1157.533-19.1000114
102S29.7Very low33.2Very low119 Ų119118.4 Ų118.483%0.83280%0.796SS**  trans-14.4143.915015.80000121.5
103V34.6Very low33.3Very low138 Ų138120.9 Ų120.984%0.83680%0.799SS**  trans-88.4156.8164.9-170.80000111.4
104P33.4Very low33Very low110 Ų110119.5 Ų119.571%0.71479%0.793SS**  trans-127.9135.9148.832.7-17.4000115.9
105S28.7Very low32.7Very low119 Ų119119.3 Ų119.383%0.83279%0.792SS**  trans13.3150.9133.4-29.80000120.5
106A26.3Very low32.9Very low91 Ų91119.4 Ų119.475%0.75279%0.792SS**  cis-177.8-161.1-7.400000106.8
107P37.7Very low32.8Very low121 Ų121121.2 Ų121.279%0.78680%0.798SS**  -105.8-149.5-114.444.5-25.8000114.5
108P45.5Very low31.7Very low109 Ų109119.2 Ų119.271%0.70879%0.792SS**  cis-128174.6-28.434.3-15.7000114.7
109S27Very low32.1Very low119 Ų119120.7 Ų120.783%0.83279%0.793SS**  trans143.2139.9134.5-57.20000115.6
110A27.7Very low31.9Very low93 Ų93123.2 Ų123.277%0.76979%0.794SS**  trans-72.2-169.2-166.800000117.9
111P33.5Very low32Very low122 Ų122120 Ų12079%0.79279%0.79SS**  cis-122.6165.7-3928.4-8.4000114.6
112E29.5Very low32.2Very low169 Ų169126.5 Ų126.579%0.7980%0.799SS**  trans-11.1153.7165.7-79.7-16010900123.6
113P30.7Very low32.4Very low120 Ų120126.3 Ų126.378%0.77980%0.798SS**  -136.2130.979.932.2-13.5000117
114S28.8Very low32.6Very low100 Ų100125.1 Ų125.170%0.69980%0.803SS**  trans47.295.3136.2-37.10000119.3
115A30.5Very low33.1Very low95 Ų95123.7 Ų123.779%0.78581%0.808SS**  trans-92.3147.4161.600000111.6
116P33.6Very low34.3Very low129 Ų129125.2 Ų125.284%0.83880%0.802SS**  trans-72.2142.9168.629.1-30.4000111.2
117C28.3Very low36.4Very low133 Ų133127.2 Ų127.290%0.89980%0.796SS**  trans-44134-174.6-71.70000115.4
118A30.7Very low38.4Very low87 Ų87125 Ų12572%0.71978%0.781SS**PPolyproline II helixtrans-73.4151.8162.400000111
119P36.8Very low40.4Very low129 Ų129121.1 Ų121.184%0.83876%0.756SS**PPolyproline II helixtrans-72.5142.1173.129.6-31.7000111.3
120E29.5Very low43.4Very low176 Ų176121.4 Ų121.482%0.82274%0.738SS**PPolyproline II helixtrans-65.4156.8179.8-68.4-156.912400113.6
121P38.4Very low46.4Very low123 Ų123117.1 Ų117.180%0.79970%0.703SS**PPolyproline II helixtrans-75.6138.5-177.5-1.118.7000112
122W34.9Very low49Very low254 Ų254116.3 Ų116.396%0.96269%0.692SS**PPolyproline II helixtrans-60.8140.1-178.6-55.4-61.5000114.1
123S34.2Very low51.7Low115 Ų115110.6 Ų110.680%0.80467%0.674SS**PPolyproline II helixtrans-64.8129.7171.6-45.20000110.9G125S123-G125 PolarHBondContact O-N 2.86Å; S123-G125 VanDerWaalsContact O-N 3.17Å
124A38.9Very low54.6Low113 Ų113105.8 Ų105.893%0.93464%0.642SS**THydrogen-bonded Turntrans-66.3109.2-176.200000111.9
125G44.9Very low57.2Low80 Ų80105.5 Ų105.583%0.82564%0.638SS**THydrogen-bonded Turntrans161.3-16.8168.700000117.3S123S123-G125 PolarHBondContact O-N 2.86Å; S123-G125 VanDerWaalsContact O-N 3.17Å
126E53.8Low59.2Low151 Ų151110.5 Ų110.571%0.70665%0.645SS**PPolyproline II helixtrans-100.6123.7-177.6-62.6-156.4108.700112.7R177E126-R177 IonicContact OE1-CZ 3.98Å; E126-R177 IonicContact OE1-NH1 3.42Å; E126-R177 PolarHBondContact OE1-NH1 2.82Å
127E69.2Low61Low134 Ų134108.7 Ų108.763%0.62665%0.65SS**PPolyproline II helixtrans-58.8128.6169.8-73.2-165.6141.900110.8R177E127-R177 VanDerWaalsContact N-NH2 3.2Å; E127-R177 PolarHBondContact O-NH2 2.88Å
128P79.6Confident63.5Low73 Ų73105.2 Ų105.247%0.47463%0.631SS.*PPolyproline II helixtrans-64.4140.8-177.626.1-33.9000111.1R130 P141P128-R130 PolarHBondContact O-N 2.89Å; P128-P141 HydrophobicContact CB-CB 4.19Å; P128-P141 HydrophobicContact CG-CB 4.46Å; P128-P141 HydrophobicContact CG-CG 4.33Å
129V87.5Confident66.1Low29 Ų29102.2 Ų102.218%0.17661%0.606CS.*PPolyproline II helixtrans-55.1131.7172-178.60000108.6A142 P175 R177V129-A142 HydrophobicContact CB-CB 4.45Å; V129-A142 HydrophobicContact CG1-CB 4.25Å; V129-A142 WeakPolarHBondContact O-CB 3.46Å; V129-A142 PolarHBondContact O-N 3.28Å; V129-P175 HydrophobicContact CB-CB 3.69Å; V129-P175 HydrophobicContact CG1-CB 4.16Å; V129-P175 HydrophobicContact CG2-CB 3.9Å; V129-R177 HydrophobicContact CG2-CG 3.67Å
130R90.1Very high68.5Low125 Ų125100.8 Ų100.847%0.47259%0.591SS.*BIsolated β-bridgetrans-94.5155.7-175.6-60.9-174.4-175.1-84.9-1.7111.1P128 A139P128-R130 PolarHBondContact O-N 2.89Å; R130-A139 HydrophobicContact CB-CB 3.93Å
131C91.3Very high71.4Confident3 Ų395.9 Ų95.92%0.0257%0.574CS.*PPolyproline II helixtrans-75.6125.4177.1175.80000111.6A133 C134 L140 S152 C154 H157C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.18Å; C131-C134 HydrophobicContact CB-CB 4.3Å; C131-C134 VanDerWaalsContact SG-SG 3.64Å; C131-L140 VanDerWaalsContact CB-O 3.31Å; C131-L140 WeakPolarHBondContact CB-O 3.48Å; C131-L140 PolarHBondContact N-O 3.35Å; C131-S152 CarbonylContact C-O 3.54Å; C131-S152 WeakPolarHBondContact CA-O 3.25Å; C131-C154 HydrophobicContact CB-CB 3.77Å; C131-C154 PolarHBondContact SG-N 2.92Å; C131-H157 PolarHBondContact SG-ND1 3.42Å
132D87.6Confident73.9Confident104 Ų10490.6 Ų90.656%0.55654%0.541SS*.THydrogen-bonded Turntrans-78-19.5-177.9-59.6-46.2000113A151 S152D132-A151 HydrophobicContact CB-CB 4.22Å; D132-A151 WeakPolarHBondContact OD2-CA 3.28Å; D132-S152 PolarHBondContact N-O 3.33Å; D132-S152 PolarHBondContact OD2-N 3.41Å
133A87.2Confident76.5Confident50 Ų5080.4 Ų80.441%0.41351%0.511SS..THydrogen-bonded Turntrans-88.6-6.6178.200000114.1C131 F153 H157C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.18Å; A133-F153 HydrophobicContact CB-CD1 3.94Å; A133-F153 HydrophobicContact CB-CE1 4.01Å; A133-H157 HydrophobicContact CB-CB 4.06Å; A133-H157 PolarHBondContact O-CE1 2.99Å
134C90.1Very high79.1Confident18 Ų1877.6 Ų77.612%0.12249%0.487CS..SBendtrans-79.9151.1177.3-80.40000110.7C131 A139 H157C131-C134 HydrophobicContact CB-CB 4.3Å; C131-C134 VanDerWaalsContact SG-SG 3.64Å; C134-A139 HydrophobicContact CB-CB 4.02Å; C134-H157 PolarHBondContact SG-CE1 3.42Å
135P83.3Confident81.5Confident94 Ų9472.2 Ų72.261%0.6144%0.442SS*.PPolyproline II helixtrans-59.1142.6173.722.1-29.4000111.3G137 A138P135-G137 PolarHBondContact O-N 3.19Å; P135-A138 HydrophobicContact CG-CB 4.35Å; P135-A138 PolarHBondContact O-N 3.43Å
136E73.1Confident83.6Confident200 Ų20068.4 Ų68.494%0.93540%0.403SS*.THydrogen-bonded Turntrans-53.2132.9-178.4-73.4-179.2170.200111.4A138E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 2.92Å
137G70.6Confident84.9Confident91 Ų9161.8 Ų61.894%0.93837%0.373SS*.THydrogen-bonded Turntrans83.9-10.5-177.400000115.7P135P135-G137 PolarHBondContact O-N 3.19Å
138A82.4Confident85.6Confident60 Ų6058.8 Ų58.850%0.49637%0.366SS..  trans-122.722.2176.600000113P135 E136 L140P135-A138 HydrophobicContact CG-CB 4.35Å; P135-A138 PolarHBondContact O-N 3.43Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 2.92Å; A138-L140 PolarHBondContact O-N 3.16Å; A138-L140 VanDerWaalsContact O-N 3.1Å
139A84.5Confident85.9Confident25 Ų2557.8 Ų57.821%0.20736%0.36CS..  trans-67.2110.4-177.400000112.2R130 C134R130-A139 HydrophobicContact CB-CB 3.93Å; C134-A139 HydrophobicContact CB-CB 4.02Å
140L88Confident85.8Confident98 Ų9860.2 Ų60.251%0.51337%0.372SS..PPolyproline II helixtrans-67.8155.8175.4-64.7177.3000110.8C131 A138 A142 C154C131-L140 VanDerWaalsContact CB-O 3.31Å; C131-L140 WeakPolarHBondContact CB-O 3.48Å; C131-L140 PolarHBondContact N-O 3.35Å; A138-L140 PolarHBondContact O-N 3.16Å; A138-L140 VanDerWaalsContact O-N 3.1Å; L140-A142 PolarHBondContact O-N 3.39Å; L140-C154 HydrophobicContact CB-CB 3.86Å
141P89.8Confident85.7Confident73 Ų7355.1 Ų55.147%0.47436%0.356SS..BIsolated β-bridgetrans-52.9130.9169.8-25.435.1000111.2P128 C154P128-P141 HydrophobicContact CB-CB 4.19Å; P128-P141 HydrophobicContact CG-CB 4.46Å; P128-P141 HydrophobicContact CG-CG 4.33Å; P141-C154 WeakPolarHBondContact O-CB 3.44Å
142A90.9Very high85.7Confident13 Ų1355.1 Ų55.111%0.10736%0.356CS..PPolyproline II helixtrans-69.3137.3173.300000109.6V129 L140 F153 P175V129-A142 HydrophobicContact CB-CB 4.45Å; V129-A142 HydrophobicContact CG1-CB 4.25Å; V129-A142 WeakPolarHBondContact O-CB 3.46Å; V129-A142 PolarHBondContact O-N 3.28Å; L140-A142 PolarHBondContact O-N 3.39Å; A142-F153 CarbonylContact C-O 3.6Å; A142-F153 WeakPolarHBondContact CA-O 3.45Å; A142-P175 HydrophobicContact CB-CB 4.27Å; A142-P175 HydrophobicContact CB-CG 4.36Å; A142-P175 WeakPolarHBondContact O-CG 3.46Å
143A88.7Confident85.9Confident40 Ų4051.3 Ų51.333%0.33134%0.335SS..SBendtrans-91.3-36.6172.800000111.4F153 P155 L158 P175A143-F153 PolarHBondContact N-O 2.81Å; A143-P155 HydrophobicContact CB-CG 3.74Å; A143-L158 HydrophobicContact CB-CD1 3.91Å; A143-P175 WeakPolarHBondContact O-CD 3.45Å; A143-P175 WeakPolarHBondContact O-CG 3.34Å
144L89.6Confident86.1Confident55 Ų5549 Ų4929%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-144.9152.5176.3-62.8170.4000110.3F153 L158 L172 V173L144-F153 PolarHBondContact N-O 3.03Å; L144-F153 PolarHBondContact O-N 3.18Å; L144-L158 HydrophobicContact CB-CD1 3.98Å; L144-L158 HydrophobicContact CB-CD2 4.05Å; L144-L158 HydrophobicContact CD1-CD1 3.93Å; L144-L158 HydrophobicContact CG-CD1 4.03Å; L144-L172 HydrophobicContact CB-CB 4.25Å; L144-L172 HydrophobicContact CB-CD2 4.42Å; L144-L172 HydrophobicContact CD1-CB 3.96Å; L144-L172 HydrophobicContact CD1-CD1 3.94Å; L144-L172 HydrophobicContact CD1-CG 4.48Å; L144-V173 CarbonylContact C-O 3.55Å; L144-V173 WeakPolarHBondContact CA-O 3.36Å; L144-V173 WeakPolarHBondContact CD2-O 3.24Å
145S90.1Very high86.1Confident0 Ų052.6 Ų52.60%034%0.339CS..EExtended strand (participates in β ladder)trans-107.7143.9168.1-55.30000111S152 L172 V173 P175 L176S145-S152 WeakPolarHBondContact OG-CB 3.27Å; S145-S152 PolarHBondContact OG-OG 3.26Å; S145-L172 CarbonylContact O-C 3.54Å; S145-L172 WeakPolarHBondContact O-CA 3.36Å; S145-V173 PolarHBondContact N-O 3.2Å; S145-V173 PolarHBondContact O-N 2.96Å; S145-P175 WeakPolarHBondContact OG-CA 3.41Å; S145-L176 PolarHBondContact OG-N 3.32Å; S145-L176 VanDerWaalsContact OG-N 3.17Å
146C87.8Confident86.3Confident0 Ų051.7 Ų51.70%034%0.339CS..EExtended strand (participates in β ladder)trans-104.4114.6179.8-179.70000110S148 C149 L150 A151 F153 H161 H170 L172C146-S148 PolarHBondContact O-N 3.13Å; C146-C149 HydrophobicContact CB-CB 3.92Å; C146-C149 PolarHBondContact O-N 3.14Å; C146-C149 PolarHBondContact SG-N 3.25Å; C146-C149 PolarHBondContact SG-SG 3.21Å; C146-L150 WeakPolarHBondContact O-CA 3.47Å; C146-L150 PolarHBondContact O-N 3Å; C146-A151 PolarHBondContact N-O 2.99Å; C146-F153 HydrophobicContact CB-CD2 4.19Å; C146-F153 HydrophobicContact CB-CE2 3.71Å; C146-H161 PolarHBondContact SG-CE1 3.04Å; C146-H170 VanDerWaalsContact SG-CB 3.58Å; C146-L172 HydrophobicContact CB-CD2 3.69Å
147L82.6Confident87.1Confident13 Ų1345.2 Ų45.27%0.06831%0.309CS..THydrogen-bonded Turntrans-69.6-16.8179.5-61-178.1000113L150 R171 V173 L179 P190L147-L150 VanDerWaalsContact O-CD2 3.28Å; L147-L150 WeakPolarHBondContact O-CD2 3.42Å; L147-R171 PolarHBondContact N-O 2.65Å; L147-V173 HydrophobicContact CD1-CG1 4.01Å; L147-V173 HydrophobicContact CD1-CG2 4.42Å; L147-V173 HydrophobicContact CD2-CG2 3.96Å; L147-V173 HydrophobicContact CG-CG1 4.32Å; L147-V173 HydrophobicContact CG-CG2 4Å; L147-L179 HydrophobicContact CD2-CD2 3.8Å; L147-P190 HydrophobicContact CB-CG 4.24Å; L147-P190 HydrophobicContact CD1-CB 3.99Å; L147-P190 HydrophobicContact CD1-CG 4.11Å
148S83.7Confident88Confident70 Ų7041.3 Ų41.349%0.4927%0.266SS..THydrogen-bonded Turntrans-88.6-31.3176.7-52.10000112.7C146C146-S148 PolarHBondContact O-N 3.13Å
149C84.8Confident88.2Confident52 Ų5238.6 Ų38.635%0.35124%0.244SC..THydrogen-bonded Turntrans-91.2-14.5175.6-61.30000112.8C146 A151 F153 H161 H170C146-C149 HydrophobicContact CB-CB 3.92Å; C146-C149 PolarHBondContact O-N 3.14Å; C146-C149 PolarHBondContact SG-N 3.25Å; C146-C149 PolarHBondContact SG-SG 3.21Å; C149-A151 HydrophobicContact CB-CB 4.28Å; C149-A151 PolarHBondContact O-N 3.46Å; C149-F153 HydrophobicContact CB-CE2 4.13Å; C149-F153 HydrophobicContact CB-CZ 4.12Å; C149-H161 VanDerWaalsContact SG-CE1 3.5Å; C149-H170 PolarHBondContact SG-ND1 2.85Å
150L85.2Confident88.3Confident81 Ų8140.2 Ų40.242%0.42425%0.253SS..THydrogen-bonded Turntrans52.838.5-171.3-54.5179.4000112.7C146 L147 L183C146-L150 WeakPolarHBondContact O-CA 3.47Å; C146-L150 PolarHBondContact O-N 3Å; L147-L150 VanDerWaalsContact O-CD2 3.28Å; L147-L150 WeakPolarHBondContact O-CD2 3.42Å; L150-L183 HydrophobicContact CD1-CD1 4.11Å; L150-L183 HydrophobicContact CD2-CD1 3.43Å; L150-L183 VanDerWaalsContact CD2-CD1 3.43Å; L150-L183 HydrophobicContact CD2-CG 4.14Å; L150-L183 HydrophobicContact CG-CD1 4.36Å
151A87.9Confident88.2Confident17 Ų1736.1 Ų36.114%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-140.8150.3-177.400000111.1D132 C146 C149 F153D132-A151 HydrophobicContact CB-CB 4.22Å; D132-A151 WeakPolarHBondContact OD2-CA 3.28Å; C146-A151 PolarHBondContact N-O 2.99Å; C149-A151 HydrophobicContact CB-CB 4.28Å; C149-A151 PolarHBondContact O-N 3.46Å; A151-F153 HydrophobicContact CB-CE1 4.2Å; A151-F153 HydrophobicContact CB-CE2 3.96Å; A151-F153 HydrophobicContact CB-CZ 3.62Å; A151-F153 WeakPolarHBondContact O-CE2 3.31Å
152S91.1Very high87.8Confident3 Ų338.8 Ų38.82%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-102.3135.9176.7-570000110.2C131 D132 S145C131-S152 CarbonylContact C-O 3.54Å; C131-S152 WeakPolarHBondContact CA-O 3.25Å; D132-S152 PolarHBondContact N-O 3.33Å; D132-S152 PolarHBondContact OD2-N 3.41Å; S145-S152 WeakPolarHBondContact OG-CB 3.27Å; S145-S152 PolarHBondContact OG-OG 3.26Å
153F91.6Very high87.5Confident25 Ų2547.4 Ų47.411%0.1127%0.267CS..EExtended strand (participates in β ladder)trans-127.7135-172.2-59.2-75.2000111.5A133 A142 A143 L144 C146 C149 A151 H157 L158 H161A133-F153 HydrophobicContact CB-CD1 3.94Å; A133-F153 HydrophobicContact CB-CE1 4.01Å; A142-F153 CarbonylContact C-O 3.6Å; A142-F153 WeakPolarHBondContact CA-O 3.45Å; A143-F153 PolarHBondContact N-O 2.81Å; L144-F153 PolarHBondContact N-O 3.03Å; L144-F153 PolarHBondContact O-N 3.18Å; C146-F153 HydrophobicContact CB-CD2 4.19Å; C146-F153 HydrophobicContact CB-CE2 3.71Å; C149-F153 HydrophobicContact CB-CE2 4.13Å; C149-F153 HydrophobicContact CB-CZ 4.12Å; A151-F153 HydrophobicContact CB-CE1 4.2Å; A151-F153 HydrophobicContact CB-CE2 3.96Å; A151-F153 HydrophobicContact CB-CZ 3.62Å; A151-F153 WeakPolarHBondContact O-CE2 3.31Å; F153-H157 HydrophobicContact CB-CB 4.21Å; F153-H157 HydrophobicContact CD1-CB 3.97Å; F153-L158 HydrophobicContact CB-CD2 3.64Å; F153-L158 HydrophobicContact CB-CG 3.79Å; F153-L158 HydrophobicContact CD2-CD2 4.22Å; F153-L158 HydrophobicContact CG-CD2 4.3Å; F153-H161 AromaticContact CD2-NE2 3.99Å; F153-H161 AromaticContact CE2-NE2 3.45Å; F153-H161 WeakPolarHBondContact CE2-NE2 3.25Å; F153-H161 AromaticContact CZ-NE2 3.94Å
154C91.8Very high87.3Confident0 Ų047.4 Ų47.40%027%0.265CS..  trans-71.6164.4166.470.30000110.2C131 L140 P141 A156 H157 L158C131-C154 HydrophobicContact CB-CB 3.77Å; C131-C154 PolarHBondContact SG-N 2.92Å; L140-C154 HydrophobicContact CB-CB 3.86Å; P141-C154 WeakPolarHBondContact O-CB 3.44Å; C154-A156 PolarHBondContact O-N 3.12Å; C154-A156 VanDerWaalsContact O-N 3.08Å; C154-H157 PolarHBondContact O-N 3.16Å; C154-H157 PolarHBondContact SG-ND1 3.35Å; C154-L158 PolarHBondContact O-N 3.49Å; C154-L158 VanDerWaalsContact O-N 3.11Å
155P90.1Very high87Confident94 Ų9450.5 Ų50.561%0.6129%0.288SS*.Hα-helixtrans-51.3-37.8-179-28.435.4000114.2A143 H157 L158A143-P155 HydrophobicContact CB-CG 3.74Å; P155-H157 VanDerWaalsContact C-N 3.34Å; P155-H157 PolarHBondContact O-N 2.92Å; P155-L158 PolarHBondContact O-N 3.43Å
156A88.2Confident86.5Confident75 Ų7554.2 Ų54.262%0.6232%0.319SS*.Hα-helixtrans-64.4-37.8178.400000112.7C154C154-A156 PolarHBondContact O-N 3.12Å; C154-A156 VanDerWaalsContact O-N 3.08Å
157H90.1Very high86.1Confident65 Ų6556.6 Ų56.630%0.30133%0.331SS..Hα-helixtrans-89.3-2.4-178.9-65.8135.4000114C131 A133 C134 F153 C154 P155 P160C131-H157 PolarHBondContact SG-ND1 3.42Å; A133-H157 HydrophobicContact CB-CB 4.06Å; A133-H157 PolarHBondContact O-CE1 2.99Å; C134-H157 PolarHBondContact SG-CE1 3.42Å; F153-H157 HydrophobicContact CB-CB 4.21Å; F153-H157 HydrophobicContact CD1-CB 3.97Å; C154-H157 PolarHBondContact O-N 3.16Å; C154-H157 PolarHBondContact SG-ND1 3.35Å; P155-H157 VanDerWaalsContact C-N 3.34Å; P155-H157 PolarHBondContact O-N 2.92Å; H157-P160 WeakPolarHBondContact O-CD 3.5Å
158L89.1Confident86.1Confident8 Ų865.1 Ų65.14%0.04236%0.362CS..Hα-helixtrans-81.1-19.4171.3-75.3171.6000113.5A143 L144 F153 C154 P155 P160 H161 E162 L172A143-L158 HydrophobicContact CB-CD1 3.91Å; L144-L158 HydrophobicContact CB-CD1 3.98Å; L144-L158 HydrophobicContact CB-CD2 4.05Å; L144-L158 HydrophobicContact CD1-CD1 3.93Å; L144-L158 HydrophobicContact CG-CD1 4.03Å; F153-L158 HydrophobicContact CB-CD2 3.64Å; F153-L158 HydrophobicContact CB-CG 3.79Å; F153-L158 HydrophobicContact CD2-CD2 4.22Å; F153-L158 HydrophobicContact CG-CD2 4.3Å; C154-L158 PolarHBondContact O-N 3.49Å; C154-L158 VanDerWaalsContact O-N 3.11Å; P155-L158 PolarHBondContact O-N 3.43Å; L158-P160 VanDerWaalsContact C-N 3.3Å; L158-P160 VanDerWaalsContact O-N 3.1Å; L158-H161 WeakPolarHBondContact O-CA 3.15Å; L158-H161 WeakPolarHBondContact O-CB 3.41Å; L158-H161 PolarHBondContact O-N 3.28Å; L158-E162 PolarHBondContact O-N 2.94Å; L158-L172 HydrophobicContact CD2-CD1 4.16Å; L158-L172 HydrophobicContact CD2-CD2 3.98Å
159G86.6Confident85.8Confident3 Ų365.3 Ų65.33%0.03138%0.375CS..Hα-helixtrans-49.6-38.2-17800000116H161 E162 R163G159-H161 VanDerWaalsContact C-N 3.35Å; G159-H161 PolarHBondContact O-N 2.91Å; G159-E162 PolarHBondContact O-N 3.33Å; G159-R163 WeakPolarHBondContact O-CB 3.34Å; G159-R163 WeakPolarHBondContact O-CG 3.47Å; G159-R163 PolarHBondContact O-N 3.12Å
160P85.7Confident85.8Confident60 Ų6065.4 Ų65.439%0.3937%0.37SS..Hα-helixtrans-62.2-35.8173-24.635.8000114.1H157 L158 E162 S164 L167H157-P160 WeakPolarHBondContact O-CD 3.5Å; L158-P160 VanDerWaalsContact C-N 3.3Å; L158-P160 VanDerWaalsContact O-N 3.1Å; P160-E162 VanDerWaalsContact C-N 3.27Å; P160-E162 PolarHBondContact O-N 2.97Å; P160-S164 WeakPolarHBondContact O-CB 3.46Å; P160-S164 PolarHBondContact O-N 3.42Å; P160-L167 HydrophobicContact CB-CD1 3.78Å
161H86.1Confident85.7Confident12 Ų1265.7 Ų65.76%0.05637%0.366CS..Hα-helixtrans-68-26.6176.3-76.8-72.6000112.7C146 C149 F153 L158 G159 L167 R168 H170 L172C146-H161 PolarHBondContact SG-CE1 3.04Å; C149-H161 VanDerWaalsContact SG-CE1 3.5Å; F153-H161 AromaticContact CD2-NE2 3.99Å; F153-H161 AromaticContact CE2-NE2 3.45Å; F153-H161 WeakPolarHBondContact CE2-NE2 3.25Å; F153-H161 AromaticContact CZ-NE2 3.94Å; L158-H161 WeakPolarHBondContact O-CA 3.15Å; L158-H161 WeakPolarHBondContact O-CB 3.41Å; L158-H161 PolarHBondContact O-N 3.28Å; G159-H161 VanDerWaalsContact C-N 3.35Å; G159-H161 PolarHBondContact O-N 2.91Å; H161-L167 PolarHBondContact ND1-O 3.23Å; H161-R168 VanDerWaalsContact O-CA 3.24Å; H161-R168 WeakPolarHBondContact O-CA 3.24Å; H161-H170 AromaticContact CE1-CG 3.89Å; H161-H170 AromaticContact CE1-ND1 3.41Å; H161-H170 PolarHBondContact CE1-ND1 2.75Å; H161-H170 AromaticContact ND1-CG 3.99Å; H161-H170 AromaticContact ND1-ND1 3.95Å; H161-L172 HydrophobicContact CB-CD1 4.08Å
162E81.5Confident85.6Confident128 Ų12867.5 Ų67.560%0.59837%0.373SS*.Hα-helixtrans-89.5-39179.4-64.1176.1173.100112.7L158 G159 P160L158-E162 PolarHBondContact O-N 2.94Å; G159-E162 PolarHBondContact O-N 3.33Å; P160-E162 VanDerWaalsContact C-N 3.27Å; P160-E162 PolarHBondContact O-N 2.97Å
163R84.3Confident85.4Confident194 Ų19468.3 Ų68.373%0.73238%0.378SS*.Hα-helixtrans-96-27.4-171.1-62.3-173.4-65.2-100.13.5114.2G159G159-R163 WeakPolarHBondContact O-CB 3.34Å; G159-R163 WeakPolarHBondContact O-CG 3.47Å; G159-R163 PolarHBondContact O-N 3.12Å
164S86.5Confident85.1Confident41 Ų4171.8 Ų71.829%0.28740%0.403SS..  trans-87.2123.8-178.2-176.60000111.1P160 A166 L167 R168P160-S164 WeakPolarHBondContact O-CB 3.46Å; P160-S164 PolarHBondContact O-N 3.42Å; S164-A166 PolarHBondContact O-N 2.83Å; S164-A166 VanDerWaalsContact O-N 3.13Å; S164-A166 PolarHBondContact OG-N 3.36Å; S164-L167 PolarHBondContact O-N 2.61Å; S164-L167 VanDerWaalsContact O-N 3.1Å; S164-R168 WeakPolarHBondContact O-CB 3.33Å; S164-R168 PolarHBondContact O-N 3.09Å
165P82.1Confident84.9Confident120 Ų12074 Ų7478%0.77942%0.417SS*.THydrogen-bonded Turntrans-56.5-30.2175.3-23.132.4000113.3
166A80.8Confident84.6Confident78 Ų7872.5 Ų72.565%0.64540%0.404SS*.THydrogen-bonded Turntrans-72.6-29.2-179.400000113.4S164S164-A166 PolarHBondContact O-N 2.83Å; S164-A166 VanDerWaalsContact O-N 3.13Å; S164-A166 PolarHBondContact OG-N 3.36Å
167L78.4Confident84.1Confident50 Ų5075.6 Ų75.626%0.26240%0.399SS..THydrogen-bonded Turntrans-106.4-10.5-174.9-59.5177.6000113.1P160 H161 S164 G169 H170P160-L167 HydrophobicContact CB-CD1 3.78Å; H161-L167 PolarHBondContact ND1-O 3.23Å; S164-L167 PolarHBondContact O-N 2.61Å; S164-L167 VanDerWaalsContact O-N 3.1Å; L167-G169 PolarHBondContact O-N 3.45Å; L167-H170 VanDerWaalsContact CD2-CE1 3.4Å; L167-H170 WeakPolarHBondContact CD2-CE1 3.44Å; L167-H170 WeakPolarHBondContact O-CB 3.41Å; L167-H170 PolarHBondContact O-N 3.2Å
168R81.7Confident83.7Confident192 Ų19280.3 Ų80.373%0.72541%0.414SS*.THydrogen-bonded Turntrans-62.7-23.4179.6-165.4176.9-175.5-173.62.8114H161 S164H161-R168 VanDerWaalsContact O-CA 3.24Å; H161-R168 WeakPolarHBondContact O-CA 3.24Å; S164-R168 WeakPolarHBondContact O-CB 3.33Å; S164-R168 PolarHBondContact O-N 3.09Å
169G77.6Confident83.2Confident73 Ų7380.6 Ų80.675%0.75342%0.416SS*.THydrogen-bonded Turntrans-86.4-3175.800000114.6L167L167-G169 PolarHBondContact O-N 3.45Å
170H85.8Confident82.8Confident54 Ų5488 Ų8825%0.2545%0.45CS..SBendtrans-74139.2180-71.2-156.8000110.8C146 C149 H161 L167 L172C146-H170 VanDerWaalsContact SG-CB 3.58Å; C149-H170 PolarHBondContact SG-ND1 2.85Å; H161-H170 AromaticContact CE1-CG 3.89Å; H161-H170 AromaticContact CE1-ND1 3.41Å; H161-H170 PolarHBondContact CE1-ND1 2.75Å; H161-H170 AromaticContact ND1-CG 3.99Å; H161-H170 AromaticContact ND1-ND1 3.95Å; L167-H170 VanDerWaalsContact CD2-CE1 3.4Å; L167-H170 WeakPolarHBondContact CD2-CE1 3.44Å; L167-H170 WeakPolarHBondContact O-CB 3.41Å; L167-H170 PolarHBondContact O-N 3.2Å; H170-L172 PolarHBondContact O-N 3.22Å
171R82.6Confident82.7Confident88 Ų8891 Ų9133%0.33246%0.458SS..  trans-80.4114.1179.9-172.6171179-160.1-7.3110.6L147 V173 E192L147-R171 PolarHBondContact N-O 2.65Å; R171-V173 HydrophobicContact CG-CG1 4.38Å; R171-E192 IonicContact CZ-OE1 2.66Å; R171-E192 VanDerWaalsContact NH1-CD 3.32Å; R171-E192 IonicContact NH1-OE1 2.87Å; R171-E192 PolarHBondContact NH1-OE1 2.66Å
172L86.3Confident82.5Confident54 Ų5492 Ų9228%0.28347%0.467SS..EExtended strand (participates in β ladder)trans-96.8134.3173.7-62.4172000110L144 S145 C146 L158 H161 H170L144-L172 HydrophobicContact CB-CB 4.25Å; L144-L172 HydrophobicContact CB-CD2 4.42Å; L144-L172 HydrophobicContact CD1-CB 3.96Å; L144-L172 HydrophobicContact CD1-CD1 3.94Å; L144-L172 HydrophobicContact CD1-CG 4.48Å; S145-L172 CarbonylContact O-C 3.54Å; S145-L172 WeakPolarHBondContact O-CA 3.36Å; C146-L172 HydrophobicContact CB-CD2 3.69Å; L158-L172 HydrophobicContact CD2-CD1 4.16Å; L158-L172 HydrophobicContact CD2-CD2 3.98Å; H161-L172 HydrophobicContact CB-CD1 4.08Å; H170-L172 PolarHBondContact O-N 3.22Å
173V85.7Confident82.6Confident21 Ų2186.7 Ų86.713%0.12744%0.442CS..EExtended strand (participates in β ladder)trans-128.9162.2178.7-660000109.9L144 S145 L147 R171 L176L144-V173 CarbonylContact C-O 3.55Å; L144-V173 WeakPolarHBondContact CA-O 3.36Å; L144-V173 WeakPolarHBondContact CD2-O 3.24Å; S145-V173 PolarHBondContact N-O 3.2Å; S145-V173 PolarHBondContact O-N 2.96Å; L147-V173 HydrophobicContact CD1-CG1 4.01Å; L147-V173 HydrophobicContact CD1-CG2 4.42Å; L147-V173 HydrophobicContact CD2-CG2 3.96Å; L147-V173 HydrophobicContact CG-CG1 4.32Å; L147-V173 HydrophobicContact CG-CG2 4Å; R171-V173 HydrophobicContact CG-CG1 4.38Å; V173-L176 HydrophobicContact CG2-CD1 3.98Å; V173-L176 HydrophobicContact CG2-CG 4.29Å
174P87.2Confident82.7Confident98 Ų9877.7 Ų77.764%0.63641%0.409SS*.SBendtrans-50.2150169.3-27.236000111.3L176P174-L176 WeakPolarHBondContact O-CG 3.48Å; P174-L176 PolarHBondContact O-N 2.86Å
175P86.6Confident82.5Confident45 Ų4581.4 Ų81.429%0.29243%0.433SS..  trans-57.8122.2-171.2-23.532.4000112.7V129 A142 A143 S145V129-P175 HydrophobicContact CB-CB 3.69Å; V129-P175 HydrophobicContact CG1-CB 4.16Å; V129-P175 HydrophobicContact CG2-CB 3.9Å; A142-P175 HydrophobicContact CB-CB 4.27Å; A142-P175 HydrophobicContact CB-CG 4.36Å; A142-P175 WeakPolarHBondContact O-CG 3.46Å; A143-P175 WeakPolarHBondContact O-CD 3.45Å; A143-P175 WeakPolarHBondContact O-CG 3.34Å; S145-P175 WeakPolarHBondContact OG-CA 3.41Å
176L83Confident82.6Confident64 Ų6483.2 Ų83.234%0.33542%0.424SS..  trans-110.4133.9177.8-59.1176.9000110S145 V173 P174 R178 L179 S182S145-L176 PolarHBondContact OG-N 3.32Å; S145-L176 VanDerWaalsContact OG-N 3.17Å; V173-L176 HydrophobicContact CG2-CD1 3.98Å; V173-L176 HydrophobicContact CG2-CG 4.29Å; P174-L176 WeakPolarHBondContact O-CG 3.48Å; P174-L176 PolarHBondContact O-N 2.86Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 3.32Å; L176-L179 HydrophobicContact CB-CD2 3.84Å; L176-L179 HydrophobicContact CB-CG 4.47Å; L176-L179 HydrophobicContact CD1-CD2 4.31Å; L176-L179 HydrophobicContact CG-CD2 4.45Å; L176-S182 VanDerWaalsContact CD1-OG 3.31Å; L176-S182 WeakPolarHBondContact CD1-OG 3.35Å
177R79.6Confident82.7Confident140 Ų14082.1 Ų82.153%0.52841%0.405SS..SBendtrans-67.3-30.9175.7-76.7-175169.5142.6-5113.2E126 E127 V129E126-R177 IonicContact OE1-CZ 3.98Å; E126-R177 IonicContact OE1-NH1 3.42Å; E126-R177 PolarHBondContact OE1-NH1 2.82Å; E127-R177 VanDerWaalsContact N-NH2 3.2Å; E127-R177 PolarHBondContact O-NH2 2.88Å; V129-R177 HydrophobicContact CG2-CG 3.67Å
178R79.9Confident82.8Confident163 Ų16385.9 Ų85.962%0.61543%0.425SS*.  trans-128.980-174.6-59.9-171.3-175177.82.4110.3L176 E180 E181L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 3.32Å; R178-E180 VanDerWaalsContact C-N 3.29Å; R178-E180 PolarHBondContact O-N 2.83Å; R178-E181 HydrophobicContact CB-CB 4.33Å; R178-E181 HydrophobicContact CB-CG 4.02Å; R178-E181 WeakPolarHBondContact CD-OE1 3.27Å; R178-E181 WeakPolarHBondContact CD-OE2 3.42Å; R178-E181 IonicContact CZ-OE1 2.83Å; R178-E181 IonicContact NE-OE1 3.72Å; R178-E181 IonicContact NH1-OE1 3.21Å; R178-E181 PolarHBondContact NH1-OE1 3.39Å; R178-E181 IonicContact NH1-OE2 3.8Å; R178-E181 PolarHBondContact O-N 2.78Å
179L79.9Confident82.8Confident14 Ų1483.6 Ų83.67%0.07342%0.416CS..SBendtrans-65.2-32.9-176.6-69.3166.9000112.9L147 L176 E181 S182L147-L179 HydrophobicContact CD2-CD2 3.8Å; L176-L179 HydrophobicContact CB-CD2 3.84Å; L176-L179 HydrophobicContact CB-CG 4.47Å; L176-L179 HydrophobicContact CD1-CD2 4.31Å; L176-L179 HydrophobicContact CG-CD2 4.45Å; L179-E181 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 2.71Å; L179-S182 WeakPolarHBondContact O-CB 3.35Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-S182 VanDerWaalsContact O-N 3.09Å
180E78.5Confident83.2Confident159 Ų15981.5 Ų81.574%0.74339%0.389SS*.G310 helixtrans-62.8-34179.3-61.5173.7177.900112.4R178 S182 L183R178-E180 VanDerWaalsContact C-N 3.29Å; R178-E180 PolarHBondContact O-N 2.83Å; E180-S182 PolarHBondContact O-N 2.78Å; E180-L183 PolarHBondContact O-N 2.82Å
181E81.8Confident83.3Confident122 Ų12280.5 Ų80.557%0.5739%0.386SS*.G310 helixtrans-70.7-15.5177.3-65.5179.8178.200112.5R178 L179 L183R178-E181 HydrophobicContact CB-CB 4.33Å; R178-E181 HydrophobicContact CB-CG 4.02Å; R178-E181 WeakPolarHBondContact CD-OE1 3.27Å; R178-E181 WeakPolarHBondContact CD-OE2 3.42Å; R178-E181 IonicContact CZ-OE1 2.83Å; R178-E181 IonicContact NE-OE1 3.72Å; R178-E181 IonicContact NH1-OE1 3.21Å; R178-E181 PolarHBondContact NH1-OE1 3.39Å; R178-E181 IonicContact NH1-OE2 3.8Å; R178-E181 PolarHBondContact O-N 2.78Å; L179-E181 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 2.71Å; E181-L183 VanDerWaalsContact C-N 3.31Å
182S83.4Confident83.6Confident34 Ų3479.4 Ų79.424%0.23838%0.384CS..G310 helixtrans-88.41176-56.90000113.2L176 L179 E180 L191L176-S182 VanDerWaalsContact CD1-OG 3.31Å; L176-S182 WeakPolarHBondContact CD1-OG 3.35Å; L179-S182 WeakPolarHBondContact O-CB 3.35Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-S182 VanDerWaalsContact O-N 3.09Å; E180-S182 PolarHBondContact O-N 2.78Å; S182-L191 PolarHBondContact O-N 3.05Å
183L83.6Confident83.8Confident16 Ų1680.5 Ų80.58%0.08439%0.385CS..BIsolated β-bridgetrans-108148.4176.7-61.4-175.8000111.6L150 E180 E181 R189 P190L150-L183 HydrophobicContact CD1-CD1 4.11Å; L150-L183 HydrophobicContact CD2-CD1 3.43Å; L150-L183 VanDerWaalsContact CD2-CD1 3.43Å; L150-L183 HydrophobicContact CD2-CG 4.14Å; L150-L183 HydrophobicContact CG-CD1 4.36Å; E180-L183 PolarHBondContact O-N 2.82Å; E181-L183 VanDerWaalsContact C-N 3.31Å; L183-R189 WeakPolarHBondContact CA-O 3.28Å; L183-P190 HydrophobicContact CD2-CG 4.25Å
184C85.8Confident84.2Confident6 Ų681.4 Ų81.44%0.04139%0.386CS..  trans-65.4125.2167.7176.40000109.8R186 H187 L188 R189 L191 C203 C206C184-R186 PolarHBondContact O-N 3.06Å; C184-R186 VanDerWaalsContact O-N 3.1Å; C184-H187 HydrophobicContact CB-CB 4.39Å; C184-H187 PolarHBondContact O-N 3.15Å; C184-L188 VanDerWaalsContact O-CA 3.3Å; C184-L188 WeakPolarHBondContact O-CA 3.4Å; C184-L188 PolarHBondContact O-N 3Å; C184-R189 PolarHBondContact N-O 3.01Å; C184-L191 HydrophobicContact CB-CD2 3.78Å; C184-C203 HydrophobicContact CB-CB 3.7Å; C184-C203 VanDerWaalsContact CB-SG 3.55Å; C184-C203 VanDerWaalsContact SG-SG 3.67Å; C184-C206 VanDerWaalsContact SG-SG 3.64Å
185P83.4Confident84.6Confident119 Ų11976.8 Ų76.877%0.77336%0.356SS*.THydrogen-bonded Turntrans-64.7-20-17724.6-34.4000113.4
186R82.9Confident84.8Confident158 Ų15878.5 Ų78.560%0.59636%0.357SS*.THydrogen-bonded Turntrans-94.2-36.1-178.1-66.9178.262.5-164.3-9.5113.8C184 E210C184-R186 PolarHBondContact O-N 3.06Å; C184-R186 VanDerWaalsContact O-N 3.1Å; R186-E210 IonicContact CZ-OE1 3.77Å; R186-E210 IonicContact CZ-OE2 3.7Å; R186-E210 IonicContact NH1-OE1 3.64Å; R186-E210 PolarHBondContact NH1-OE1 3.37Å; R186-E210 IonicContact NH1-OE2 2.83Å; R186-E210 PolarHBondContact NH1-OE2 3.43Å; R186-E210 IonicContact NH2-OE1 2.76Å; R186-E210 PolarHBondContact NH2-OE1 2.79Å
187H82.3Confident85.1Confident54 Ų5478.9 Ų78.925%0.2537%0.369CS..THydrogen-bonded Turntrans-110.9-8.4-172.8-60.2111.2000113.1C184 R189 A205 C206C184-H187 HydrophobicContact CB-CB 4.39Å; C184-H187 PolarHBondContact O-N 3.15Å; H187-R189 HydrophobicContact CB-CB 4.48Å; H187-R189 HydrophobicContact CB-CG 4.43Å; H187-R189 WeakPolarHBondContact O-CG 3.4Å; H187-R189 PolarHBondContact O-N 3.5Å; H187-R189 VanDerWaalsContact O-N 3.12Å; H187-A205 HydrophobicContact CB-CB 4.39Å; H187-C206 PolarHBondContact CE1-SG 3.34Å; H187-C206 PolarHBondContact ND1-SG 3.05Å
188L81.3Confident85.6Confident130 Ų13076.9 Ų76.968%0.68137%0.366SS*.  trans5133.6-176.6-55.4177.3000112.5C184C184-L188 VanDerWaalsContact O-CA 3.3Å; C184-L188 WeakPolarHBondContact O-CA 3.4Å; C184-L188 PolarHBondContact O-N 3Å
189R82.4Confident86.1Confident143 Ų14378.6 Ų78.654%0.5437%0.372SS..  trans-112150.3177.8-72-177.8-171.5-172.52.1110.1L183 C184 H187 C203L183-R189 WeakPolarHBondContact CA-O 3.28Å; C184-R189 PolarHBondContact N-O 3.01Å; H187-R189 HydrophobicContact CB-CB 4.48Å; H187-R189 HydrophobicContact CB-CG 4.43Å; H187-R189 WeakPolarHBondContact O-CG 3.4Å; H187-R189 PolarHBondContact O-N 3.5Å; H187-R189 VanDerWaalsContact O-N 3.12Å; R189-C203 HydrophobicContact CB-CB 3.95Å
190P84.8Confident86.7Confident29 Ų2980.6 Ų80.619%0.18839%0.385CS..BIsolated β-bridgetrans-52.3140.7177.3-27.636000113.1L147 L183 E192 C203L147-P190 HydrophobicContact CB-CG 4.24Å; L147-P190 HydrophobicContact CD1-CB 3.99Å; L147-P190 HydrophobicContact CD1-CG 4.11Å; L183-P190 HydrophobicContact CD2-CG 4.25Å; P190-E192 HydrophobicContact CB-CG 4.25Å; P190-C203 WeakPolarHBondContact O-CA 3.31Å; P190-C203 VanDerWaalsContact O-CB 3.22Å; P190-C203 WeakPolarHBondContact O-CB 3.39Å
191L89.1Confident87.3Confident33 Ų3375.8 Ų75.817%0.17337%0.368CS..  trans-77.3120.8169.8-59.3176.5000108.9S182 C184 C201 L202S182-L191 PolarHBondContact O-N 3.05Å; C184-L191 HydrophobicContact CB-CD2 3.78Å; L191-C201 HydrophobicContact CB-CB 4.25Å; L191-C201 HydrophobicContact CD1-CB 3.95Å; L191-L202 CarbonylContact C-O 3.58Å; L191-L202 WeakPolarHBondContact CA-O 3.48Å
192E88.1Confident87.8Confident65 Ų6570.6 Ų70.630%0.30434%0.344SS..  trans-132-15.2-170.5-74.5178.8168.900113.1R171 P190 L202 L219R171-E192 IonicContact CZ-OE1 2.66Å; R171-E192 VanDerWaalsContact NH1-CD 3.32Å; R171-E192 IonicContact NH1-OE1 2.87Å; R171-E192 PolarHBondContact NH1-OE1 2.66Å; P190-E192 HydrophobicContact CB-CG 4.25Å; E192-L202 PolarHBondContact N-O 3.24Å; E192-L219 WeakPolarHBondContact O-CB 3.43Å; E192-L219 PolarHBondContact O-N 3.43Å
193R91.4Very high88.2Confident78 Ų7869 Ų6929%0.29433%0.333SS..EExtended strand (participates in β ladder)trans-120.6153.5-178.5-59-63.1-177.3148.51.4110.4C201 L202 E204 A207 V217R193-C201 CarbonylContact O-C 3.57Å; R193-C201 WeakPolarHBondContact O-CA 3.21Å; R193-L202 HydrophobicContact CB-CB 4.34Å; R193-L202 PolarHBondContact N-O 2.86Å; R193-L202 PolarHBondContact O-N 3.13Å; R193-E204 IonicContact CZ-OE1 2.79Å; R193-E204 IonicContact NE-OE1 3.31Å; R193-E204 PolarHBondContact NE-OE1 3.26Å; R193-E204 IonicContact NE-OE2 3.98Å; R193-E204 IonicContact NH2-OE1 2.74Å; R193-E204 PolarHBondContact NH2-OE1 3.05Å; R193-E204 IonicContact NH2-OE2 3.7Å; R193-A207 HydrophobicContact CG-CB 4.13Å; R193-V217 CarbonylContact C-O 3.53Å; R193-V217 WeakPolarHBondContact CA-O 3.43Å
194Y94.3Very high88.4Confident40 Ų4071.6 Ų71.616%0.15735%0.345CS..EExtended strand (participates in β ladder)trans-122.2129.4169.6-175.2-95000109.5R196 R199 V200 L216 V217 L219 E222Y194-R196 HydrophobicContact CD1-CG 4.07Å; Y194-R196 HydrophobicContact CE1-CG 4.18Å; Y194-R199 VanDerWaalsContact OH-CA 3.24Å; Y194-R199 WeakPolarHBondContact OH-CA 3.31Å; Y194-R199 VanDerWaalsContact OH-CB 3.29Å; Y194-R199 WeakPolarHBondContact OH-CB 3.36Å; Y194-V200 WeakPolarHBondContact CA-O 3.42Å; Y194-L216 WeakPolarHBondContact O-CA 3.43Å; Y194-V217 HydrophobicContact CD1-CG2 4.36Å; Y194-V217 PolarHBondContact N-O 2.94Å; Y194-V217 PolarHBondContact O-N 3.25Å; Y194-L219 HydrophobicContact CD2-CD1 4.43Å; Y194-E222 HydrophobicContact CD1-CB 4.15Å; Y194-E222 HydrophobicContact CD1-CG 3.56Å; Y194-E222 HydrophobicContact CE1-CG 3.82Å; Y194-E222 HydrophobicContact CG-CB 4.21Å; Y194-E222 HydrophobicContact CG-CG 3.96Å
195C93.8Very high88.5Confident0 Ų071.8 Ų71.80%035%0.347CS..EExtended strand (participates in β ladder)trans-92.3114.8173.3-178.70000109.4A197 R199 V200 L202 H214 L216C195-A197 PolarHBondContact O-N 3.15Å; C195-R199 WeakPolarHBondContact O-CA 3.37Å; C195-R199 PolarHBondContact O-N 3.06Å; C195-V200 HydrophobicContact CB-CG2 4.1Å; C195-V200 PolarHBondContact N-O 3.12Å; C195-V200 PolarHBondContact O-N 3.38Å; C195-L202 HydrophobicContact CB-CD1 3.69Å; C195-H214 VanDerWaalsContact SG-CB 3.6Å; C195-L216 HydrophobicContact CB-CD2 3.64Å
196R91.3Very high88.8Confident82 Ų8266.4 Ų66.431%0.30931%0.312SS..THydrogen-bonded Turntrans-70-31-179.4-73.5179.8169.1177.8-7.1113.8Y194 E215 V217 E222Y194-R196 HydrophobicContact CD1-CG 4.07Å; Y194-R196 HydrophobicContact CE1-CG 4.18Å; R196-E215 WeakPolarHBondContact CD-OE1 3.36Å; R196-E215 IonicContact CZ-OE1 2.81Å; R196-E215 PolarHBondContact N-O 3.19Å; R196-E215 VanDerWaalsContact N-O 3.15Å; R196-E215 IonicContact NE-OE1 2.79Å; R196-E215 IonicContact NH1-OE1 3.26Å; R196-E215 PolarHBondContact NH1-OE1 2.95Å; R196-V217 HydrophobicContact CG-CG2 4.34Å; R196-E222 IonicContact CZ-OE2 2.74Å; R196-E222 VanDerWaalsContact CZ-OE2 3.26Å; R196-E222 IonicContact NE-OE2 3.05Å; R196-E222 PolarHBondContact NE-OE2 2.74Å; R196-E222 IonicContact NH2-OE2 2.67Å; R196-E222 PolarHBondContact NH2-OE2 2.8Å
197A90.5Very high89.1Confident72 Ų7259.4 Ų59.460%0.59529%0.287SS*.THydrogen-bonded Turntrans-67.3-43.3179.500000111.9C195C195-A197 PolarHBondContact O-N 3.15Å
198E89.3Confident89.3Confident98 Ų9859.1 Ų59.146%0.45830%0.295SS..THydrogen-bonded Turntrans-101.7-9.3-176.1-69.6179.2-119.900113.7V200 H211 H214E198-V200 HydrophobicContact CB-CG2 3.83Å; E198-V200 PolarHBondContact O-N 3.08Å; E198-H211 VanDerWaalsContact CD-CE1 3.47Å; E198-H211 IonicContact OE1-CE1 2.77Å; E198-H211 PolarHBondContact OE1-CE1 2.68Å; E198-H211 IonicContact OE1-ND1 3.69Å; E198-H211 PolarHBondContact OE1-ND1 3.02Å; E198-H211 IonicContact OE2-CE1 2.96Å; E198-H211 PolarHBondContact OE2-CE1 3.05Å; E198-H214 IonicContact OE1-CE1 3.18Å; E198-H214 PolarHBondContact OE1-CE1 3.31Å; E198-H214 IonicContact OE1-ND1 2.66Å; E198-H214 PolarHBondContact OE1-ND1 3.36Å
199R91Very high89.6Confident198 Ų19858.4 Ų58.475%0.74729%0.288SS*.THydrogen-bonded Turntrans58.841-179.8-58.8-176.9179.6-174.7-1.6114.3Y194 C195Y194-R199 VanDerWaalsContact OH-CA 3.24Å; Y194-R199 WeakPolarHBondContact OH-CA 3.31Å; Y194-R199 VanDerWaalsContact OH-CB 3.29Å; Y194-R199 WeakPolarHBondContact OH-CB 3.36Å; C195-R199 WeakPolarHBondContact O-CA 3.37Å; C195-R199 PolarHBondContact O-N 3.06Å
200V91.6Very high89.6Confident57 Ų5755.8 Ų55.835%0.34528%0.282SS..EExtended strand (participates in β ladder)trans-124.5145.1-176.4-68.20000112.3Y194 C195 E198 L202Y194-V200 WeakPolarHBondContact CA-O 3.42Å; C195-V200 HydrophobicContact CB-CG2 4.1Å; C195-V200 PolarHBondContact N-O 3.12Å; C195-V200 PolarHBondContact O-N 3.38Å; E198-V200 HydrophobicContact CB-CG2 3.83Å; E198-V200 PolarHBondContact O-N 3.08Å; V200-L202 HydrophobicContact CG2-CD1 4.44Å; V200-L202 HydrophobicContact CG2-CD2 3.82Å; V200-L202 HydrophobicContact CG2-CG 4.12Å
201C92.4Very high89.8Confident57 Ų5755 Ų5539%0.38528%0.276SS..EExtended strand (participates in β ladder)trans-83135.2171-57.30000110L191 R193 L219L191-C201 HydrophobicContact CB-CB 4.25Å; L191-C201 HydrophobicContact CD1-CB 3.95Å; R193-C201 CarbonylContact O-C 3.57Å; R193-C201 WeakPolarHBondContact O-CA 3.21Å; C201-L219 HydrophobicContact CB-CD1 4.27Å; C201-L219 WeakPolarHBondContact SG-CD1 3.49Å
202L92.3Very high89.3Confident14 Ų1463 Ų637%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-133.9150.9-169.5-58.7172.1000111.5L191 E192 R193 C195 V200 C206 H211 L216L191-L202 CarbonylContact C-O 3.58Å; L191-L202 WeakPolarHBondContact CA-O 3.48Å; E192-L202 PolarHBondContact N-O 3.24Å; R193-L202 HydrophobicContact CB-CB 4.34Å; R193-L202 PolarHBondContact N-O 2.86Å; R193-L202 PolarHBondContact O-N 3.13Å; C195-L202 HydrophobicContact CB-CD1 3.69Å; V200-L202 HydrophobicContact CG2-CD1 4.44Å; V200-L202 HydrophobicContact CG2-CD2 3.82Å; V200-L202 HydrophobicContact CG2-CG 4.12Å; L202-C206 HydrophobicContact CB-CB 4.23Å; L202-C206 HydrophobicContact CD2-CB 4.16Å; L202-H211 HydrophobicContact CD1-CB 4.3Å; L202-H211 WeakPolarHBondContact CD1-CD2 3.42Å; L202-H211 WeakPolarHBondContact CD2-NE2 3.35Å; L202-L216 HydrophobicContact CD1-CD2 4.02Å
203C90.6Very high89Confident0 Ų063.5 Ų63.50%033%0.326CS..  trans-85.4164.2165.671.70000111.3C184 R189 P190 A205 C206 A207C184-C203 HydrophobicContact CB-CB 3.7Å; C184-C203 VanDerWaalsContact CB-SG 3.55Å; C184-C203 VanDerWaalsContact SG-SG 3.67Å; R189-C203 HydrophobicContact CB-CB 3.95Å; P190-C203 WeakPolarHBondContact O-CA 3.31Å; P190-C203 VanDerWaalsContact O-CB 3.22Å; P190-C203 WeakPolarHBondContact O-CB 3.39Å; C203-A205 PolarHBondContact O-N 2.98Å; C203-A205 VanDerWaalsContact O-N 3.16Å; C203-C206 PolarHBondContact O-N 3.43Å; C203-C206 VanDerWaalsContact O-N 3.09Å; C203-A207 PolarHBondContact O-N 3.36Å
204E88Confident89Confident71 Ų7163.7 Ų63.733%0.33233%0.33SS..Hα-helixtrans-56.4-32178.8-73-67.8171.700113.6R193 A208R193-E204 IonicContact CZ-OE1 2.79Å; R193-E204 IonicContact NE-OE1 3.31Å; R193-E204 PolarHBondContact NE-OE1 3.26Å; R193-E204 IonicContact NE-OE2 3.98Å; R193-E204 IonicContact NH2-OE1 2.74Å; R193-E204 PolarHBondContact NH2-OE1 3.05Å; R193-E204 IonicContact NH2-OE2 3.7Å; E204-A208 WeakPolarHBondContact O-CB 3.49Å; E204-A208 PolarHBondContact O-N 3.33Å
205A88.3Confident88.8Confident10 Ų1067.2 Ų67.28%0.08335%0.348CS..Hα-helixtrans-69-40.4177.600000112.6H187 C203 Q209H187-A205 HydrophobicContact CB-CB 4.39Å; C203-A205 PolarHBondContact O-N 2.98Å; C203-A205 VanDerWaalsContact O-N 3.16Å; A205-Q209 WeakPolarHBondContact O-CB 3.34Å; A205-Q209 WeakPolarHBondContact O-CG 3.41Å; A205-Q209 PolarHBondContact O-N 2.89Å; A205-Q209 PolarHBondContact O-NE2 3.14Å
206C90.1Very high88.8Confident6 Ų669.5 Ų69.54%0.04136%0.36CS..Hα-helixtrans-67.1-46.1175-73.30000111C184 H187 L202 C203 A208 Q209 E210 H211C184-C206 VanDerWaalsContact SG-SG 3.64Å; H187-C206 PolarHBondContact CE1-SG 3.34Å; H187-C206 PolarHBondContact ND1-SG 3.05Å; L202-C206 HydrophobicContact CB-CB 4.23Å; L202-C206 HydrophobicContact CD2-CB 4.16Å; C203-C206 PolarHBondContact O-N 3.43Å; C203-C206 VanDerWaalsContact O-N 3.09Å; C206-A208 VanDerWaalsContact C-N 3.27Å; C206-A208 PolarHBondContact O-N 3.28Å; C206-Q209 PolarHBondContact O-N 3.44Å; C206-E210 PolarHBondContact O-N 2.91Å; C206-H211 PolarHBondContact O-N 3.21Å
207A89.1Confident88.9Confident10 Ų1066.1 Ų66.18%0.08335%0.349CS..Hα-helixtrans-54.4-45.5175.800000111.5R193 C203 Q209 L216R193-A207 HydrophobicContact CG-CB 4.13Å; C203-A207 PolarHBondContact O-N 3.36Å; A207-Q209 VanDerWaalsContact C-N 3.34Å; A207-Q209 PolarHBondContact O-N 3.45Å; A207-L216 HydrophobicContact CB-CD1 3.6Å
208A86.6Confident89Confident49 Ų4965.4 Ų65.441%0.40534%0.338SS..THydrogen-bonded Turntrans-83.53-177.200000114.8E204 C206 R212E204-A208 WeakPolarHBondContact O-CB 3.49Å; E204-A208 PolarHBondContact O-N 3.33Å; C206-A208 VanDerWaalsContact C-N 3.27Å; C206-A208 PolarHBondContact O-N 3.28Å; A208-R212 PolarHBondContact O-NE 2.93Å; A208-R212 PolarHBondContact O-NH2 2.99Å
209Q86.7Confident89.1Confident115 Ų11562.7 Ų62.754%0.53733%0.326SS..THydrogen-bonded Turntrans-128.6-57.9179.8-68.5177.550.900111.5A205 C206 A207A205-Q209 WeakPolarHBondContact O-CB 3.34Å; A205-Q209 WeakPolarHBondContact O-CG 3.41Å; A205-Q209 PolarHBondContact O-N 2.89Å; A205-Q209 PolarHBondContact O-NE2 3.14Å; C206-Q209 PolarHBondContact O-N 3.44Å; A207-Q209 VanDerWaalsContact C-N 3.34Å; A207-Q209 PolarHBondContact O-N 3.45Å
210E82.7Confident88.9Confident87 Ų8758.3 Ų58.341%0.40731%0.314SS..THydrogen-bonded Turntrans-93.8-28.9-167.8-67.2174.7-170.300112.5R186 C206R186-E210 IonicContact CZ-OE1 3.77Å; R186-E210 IonicContact CZ-OE2 3.7Å; R186-E210 IonicContact NH1-OE1 3.64Å; R186-E210 PolarHBondContact NH1-OE1 3.37Å; R186-E210 IonicContact NH1-OE2 2.83Å; R186-E210 PolarHBondContact NH1-OE2 3.43Å; R186-E210 IonicContact NH2-OE1 2.76Å; R186-E210 PolarHBondContact NH2-OE1 2.79Å; C206-E210 PolarHBondContact O-N 2.91Å
211H88.1Confident88.9Confident13 Ų1360.6 Ų60.66%0.0632%0.321CS..  trans-108.130.6-179.8-54.3-89.3000112.5E198 L202 C206 G213 H214 L216E198-H211 VanDerWaalsContact CD-CE1 3.47Å; E198-H211 IonicContact OE1-CE1 2.77Å; E198-H211 PolarHBondContact OE1-CE1 2.68Å; E198-H211 IonicContact OE1-ND1 3.69Å; E198-H211 PolarHBondContact OE1-ND1 3.02Å; E198-H211 IonicContact OE2-CE1 2.96Å; E198-H211 PolarHBondContact OE2-CE1 3.05Å; L202-H211 HydrophobicContact CD1-CB 4.3Å; L202-H211 WeakPolarHBondContact CD1-CD2 3.42Å; L202-H211 WeakPolarHBondContact CD2-NE2 3.35Å; C206-H211 PolarHBondContact O-N 3.21Å; H211-G213 VanDerWaalsContact C-N 3.28Å; H211-G213 PolarHBondContact O-N 2.85Å; H211-H214 HydrophobicContact CB-CB 4.31Å; H211-H214 AromaticContact ND1-ND1 3.52Å; H211-H214 PolarHBondContact O-N 2.96Å; H211-L216 HydrophobicContact CB-CD1 4.16Å; H211-L216 HydrophobicContact CB-CD2 3.99Å
212R79.2Confident88.9Confident200 Ų20058.6 Ų58.676%0.75531%0.306SS*.THydrogen-bonded Turntrans-67.281.7175.1-74.3-172.7176.8173.99.8110.6A208A208-R212 PolarHBondContact O-NE 2.93Å; A208-R212 PolarHBondContact O-NH2 2.99Å
213G81.8Confident88.9Confident76 Ų7664.5 Ų64.578%0.78433%0.327SS*.THydrogen-bonded Turntrans137-5.9-179.900000114.5H211H211-G213 VanDerWaalsContact C-N 3.28Å; H211-G213 PolarHBondContact O-N 2.85Å
214H91.7Very high88.9Confident82 Ų8267.1 Ų67.138%0.3835%0.349SS..SBendtrans-84.7158171.7-66.1-177.9000110.9C195 E198 H211 L216C195-H214 VanDerWaalsContact SG-CB 3.6Å; E198-H214 IonicContact OE1-CE1 3.18Å; E198-H214 PolarHBondContact OE1-CE1 3.31Å; E198-H214 IonicContact OE1-ND1 2.66Å; E198-H214 PolarHBondContact OE1-ND1 3.36Å; H211-H214 HydrophobicContact CB-CB 4.31Å; H211-H214 AromaticContact ND1-ND1 3.52Å; H211-H214 PolarHBondContact O-N 2.96Å; H214-L216 HydrophobicContact CB-CD2 4.28Å; H214-L216 PolarHBondContact O-N 2.6Å
215E90.8Very high89.1Confident115 Ų11567.7 Ų67.754%0.53735%0.354SS..  trans-71.1102.9170.5-168.5-173.7166.200109R196R196-E215 WeakPolarHBondContact CD-OE1 3.36Å; R196-E215 IonicContact CZ-OE1 2.81Å; R196-E215 PolarHBondContact N-O 3.19Å; R196-E215 VanDerWaalsContact N-O 3.15Å; R196-E215 IonicContact NE-OE1 2.79Å; R196-E215 IonicContact NH1-OE1 3.26Å; R196-E215 PolarHBondContact NH1-OE1 2.95Å
216L93.2Very high89.2Confident47 Ų4772.3 Ų72.325%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-106.3120.6179.7-58.9-177.3000109.6Y194 C195 L202 A207 H211 H214Y194-L216 WeakPolarHBondContact O-CA 3.43Å; C195-L216 HydrophobicContact CB-CD2 3.64Å; L202-L216 HydrophobicContact CD1-CD2 4.02Å; A207-L216 HydrophobicContact CB-CD1 3.6Å; H211-L216 HydrophobicContact CB-CD1 4.16Å; H211-L216 HydrophobicContact CB-CD2 3.99Å; H214-L216 HydrophobicContact CB-CD2 4.28Å; H214-L216 PolarHBondContact O-N 2.6Å
217V93.3Very high89.3Confident12 Ų1276.2 Ų76.27%0.07339%0.392CS..EExtended strand (participates in β ladder)trans-113.2152.1176-65.10000110.1R193 Y194 R196 L219 E222R193-V217 CarbonylContact C-O 3.53Å; R193-V217 WeakPolarHBondContact CA-O 3.43Å; Y194-V217 HydrophobicContact CD1-CG2 4.36Å; Y194-V217 PolarHBondContact N-O 2.94Å; Y194-V217 PolarHBondContact O-N 3.25Å; R196-V217 HydrophobicContact CG-CG2 4.34Å; V217-L219 PolarHBondContact O-N 3.15Å; V217-E222 HydrophobicContact CG2-CB 3.85Å; V217-E222 HydrophobicContact CG2-CG 4.49Å
218P93.4Very high89.5Confident56 Ų5678.7 Ų78.736%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-54.2137167.8-23.133.6000111.1E220 Q221 E222P218-E220 VanDerWaalsContact C-N 3.3Å; P218-E220 PolarHBondContact O-N 3.18Å; P218-Q221 HydrophobicContact CB-CB 4.18Å; P218-Q221 WeakPolarHBondContact O-CB 3.38Å; P218-Q221 PolarHBondContact O-N 3.49Å; P218-E222 PolarHBondContact O-N 3.14Å
219L89.8Confident89.7Confident42 Ų4280.5 Ų80.522%0.2241%0.412CS..Hα-helixtrans-57.1-43.1-176.3-178.663.5000112.2E192 Y194 C201 V217 Q221 E222 R223E192-L219 WeakPolarHBondContact O-CB 3.43Å; E192-L219 PolarHBondContact O-N 3.43Å; Y194-L219 HydrophobicContact CD2-CD1 4.43Å; C201-L219 HydrophobicContact CB-CD1 4.27Å; C201-L219 WeakPolarHBondContact SG-CD1 3.49Å; V217-L219 PolarHBondContact O-N 3.15Å; L219-Q221 VanDerWaalsContact C-N 3.27Å; L219-Q221 PolarHBondContact O-N 3.26Å; L219-E222 PolarHBondContact O-N 3.1Å; L219-R223 WeakPolarHBondContact O-CB 3.47Å; L219-R223 PolarHBondContact O-N 2.99Å
220E88.1Confident90Very high105 Ų10580 Ų8049%0.49141%0.41SS..Hα-helixtrans-64.6-31.5178.8-57.2-57.8159.800112.6P218 A224P218-E220 VanDerWaalsContact C-N 3.3Å; P218-E220 PolarHBondContact O-N 3.18Å; E220-A224 PolarHBondContact O-N 2.79Å
221Q91.8Very high90.6Very high106 Ų10679.7 Ų79.750%0.49542%0.416SS..Hα-helixtrans-70.5-44.5177.5-176.6-179.51.200111.1P218 L219 A224 L225P218-Q221 HydrophobicContact CB-CB 4.18Å; P218-Q221 WeakPolarHBondContact O-CB 3.38Å; P218-Q221 PolarHBondContact O-N 3.49Å; L219-Q221 VanDerWaalsContact C-N 3.27Å; L219-Q221 PolarHBondContact O-N 3.26Å; Q221-A224 PolarHBondContact O-N 3.02Å; Q221-L225 PolarHBondContact O-N 3.14Å
222E92Very high90.9Very high15 Ų1585.1 Ų85.17%0.0744%0.439CS..Hα-helixtrans-66.7-40.9176-172.164-156.100111.1Y194 R196 V217 P218 L219 A224 L225 Q226Y194-E222 HydrophobicContact CD1-CB 4.15Å; Y194-E222 HydrophobicContact CD1-CG 3.56Å; Y194-E222 HydrophobicContact CE1-CG 3.82Å; Y194-E222 HydrophobicContact CG-CB 4.21Å; Y194-E222 HydrophobicContact CG-CG 3.96Å; R196-E222 IonicContact CZ-OE2 2.74Å; R196-E222 VanDerWaalsContact CZ-OE2 3.26Å; R196-E222 IonicContact NE-OE2 3.05Å; R196-E222 PolarHBondContact NE-OE2 2.74Å; R196-E222 IonicContact NH2-OE2 2.67Å; R196-E222 PolarHBondContact NH2-OE2 2.8Å; V217-E222 HydrophobicContact CG2-CB 3.85Å; V217-E222 HydrophobicContact CG2-CG 4.49Å; P218-E222 PolarHBondContact O-N 3.14Å; L219-E222 PolarHBondContact O-N 3.1Å; E222-A224 VanDerWaalsContact C-N 3.31Å; E222-A224 PolarHBondContact O-N 3.27Å; E222-L225 WeakPolarHBondContact O-CB 3.3Å; E222-L225 PolarHBondContact O-N 3.31Å; E222-L225 VanDerWaalsContact O-N 3.09Å; E222-Q226 HydrophobicContact CG-CG 4.22Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 2.85Å; E222-Q226 PolarHBondContact OE1-NE2 3.4Å
223R91.5Very high91.6Very high137 Ų13780 Ų8052%0.51743%0.429SS..Hα-helixtrans-53.7-48.2174.6178.1179.9175.4-179.1-0.7111.6L219 L225 Q226 E227L219-R223 WeakPolarHBondContact O-CB 3.47Å; L219-R223 PolarHBondContact O-N 2.99Å; R223-L225 VanDerWaalsContact C-N 3.28Å; R223-L225 PolarHBondContact O-N 2.82Å; R223-Q226 PolarHBondContact O-N 2.79Å; R223-E227 HydrophobicContact CG-CG 4.18Å; R223-E227 IonicContact CZ-OE1 3.03Å; R223-E227 VanDerWaalsContact CZ-OE1 3.31Å; R223-E227 IonicContact NE-OE1 3.68Å; R223-E227 PolarHBondContact NE-OE1 2.89Å; R223-E227 IonicContact NH2-OE1 2.73Å; R223-E227 PolarHBondContact NH2-OE1 2.93Å; R223-E227 WeakPolarHBondContact O-CB 3.24Å; R223-E227 WeakPolarHBondContact O-CG 3.25Å; R223-E227 PolarHBondContact O-N 2.82Å
224A91.9Very high92.2Very high55 Ų5580.6 Ų80.646%0.45542%0.415SS..Hα-helixtrans-60.8-36178.600000112.9E220 Q221 E222 A228E220-A224 PolarHBondContact O-N 2.79Å; Q221-A224 PolarHBondContact O-N 3.02Å; E222-A224 VanDerWaalsContact C-N 3.31Å; E222-A224 PolarHBondContact O-N 3.27Å; A224-A228 PolarHBondContact O-N 2.8Å; A224-A228 VanDerWaalsContact O-N 3.17Å
225L90.7Very high92.4Very high84 Ų8479.3 Ų79.344%0.4441%0.414SS..Hα-helixtrans-69.3-42.8175-67.8171.3000111.9Q221 E222 R223 A228 E229Q221-L225 PolarHBondContact O-N 3.14Å; E222-L225 WeakPolarHBondContact O-CB 3.3Å; E222-L225 PolarHBondContact O-N 3.31Å; E222-L225 VanDerWaalsContact O-N 3.09Å; R223-L225 VanDerWaalsContact C-N 3.28Å; R223-L225 PolarHBondContact O-N 2.82Å; L225-A228 WeakPolarHBondContact O-CB 3.34Å; L225-A228 PolarHBondContact O-N 3.37Å; L225-E229 PolarHBondContact O-N 3.19Å
226Q90.9Very high92.6Very high106 Ų10676.5 Ų76.550%0.49541%0.411SS..Hα-helixtrans-69.2-37.3177.9-62.7-63-32.300111.8E222 R223 A228 E229 Q230E222-Q226 HydrophobicContact CG-CG 4.22Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 2.85Å; E222-Q226 PolarHBondContact OE1-NE2 3.4Å; R223-Q226 PolarHBondContact O-N 2.79Å; Q226-A228 VanDerWaalsContact C-N 3.27Å; Q226-A228 PolarHBondContact O-N 3.41Å; Q226-E229 CarbonylContact O-C 3.52Å; Q226-E229 PolarHBondContact O-N 2.88Å; Q226-E229 VanDerWaalsContact O-N 3.14Å; Q226-Q230 PolarHBondContact O-N 2.95Å
227E92.3Very high92.7Very high89 Ų8977.9 Ų77.942%0.41642%0.421SS..Hα-helixtrans-61.8-34.2172.8-77.6177168.900111.6R223 Q230 P231R223-E227 HydrophobicContact CG-CG 4.18Å; R223-E227 IonicContact CZ-OE1 3.03Å; R223-E227 VanDerWaalsContact CZ-OE1 3.31Å; R223-E227 IonicContact NE-OE1 3.68Å; R223-E227 PolarHBondContact NE-OE1 2.89Å; R223-E227 IonicContact NH2-OE1 2.73Å; R223-E227 PolarHBondContact NH2-OE1 2.93Å; R223-E227 WeakPolarHBondContact O-CB 3.24Å; R223-E227 WeakPolarHBondContact O-CG 3.25Å; R223-E227 PolarHBondContact O-N 2.82Å; E227-Q230 WeakPolarHBondContact O-CB 3.41Å; E227-Q230 PolarHBondContact O-N 3.4Å; E227-P231 WeakPolarHBondContact O-CD 3.48Å
228A93Very high92.8Very high62 Ų6283.1 Ų83.151%0.51245%0.445SS..Hα-helixtrans-69.3-30.617400000113.3A224 L225 Q226 P231A224-A228 PolarHBondContact O-N 2.8Å; A224-A228 VanDerWaalsContact O-N 3.17Å; L225-A228 WeakPolarHBondContact O-CB 3.34Å; L225-A228 PolarHBondContact O-N 3.37Å; Q226-A228 VanDerWaalsContact C-N 3.27Å; Q226-A228 PolarHBondContact O-N 3.41Å; A228-P231 WeakPolarHBondContact O-CD 3.25Å
229E91.4Very high92.8Very high86 Ų8684.8 Ų84.840%0.40245%0.451SS..Hα-helixtrans-87.6-19.3176.6-67-61.6124.500113.2L225 Q226 P231 K232 V233L225-E229 PolarHBondContact O-N 3.19Å; Q226-E229 CarbonylContact O-C 3.52Å; Q226-E229 PolarHBondContact O-N 2.88Å; Q226-E229 VanDerWaalsContact O-N 3.14Å; E229-P231 VanDerWaalsContact C-CD 3.47Å; E229-K232 VanDerWaalsContact CD-NZ 3.25Å; E229-K232 WeakPolarHBondContact O-CB 3.25Å; E229-K232 PolarHBondContact O-N 2.83Å; E229-K232 IonicContact OE1-NZ 2.73Å; E229-K232 PolarHBondContact OE1-NZ 2.87Å; E229-K232 WeakPolarHBondContact OE2-CD 3.28Å; E229-K232 IonicContact OE2-NZ 3.92Å; E229-K232 PolarHBondContact OE2-NZ 2.86Å; E229-V233 PolarHBondContact O-N 2.85Å
230Q93.6Very high93.1Very high105 Ų10589.4 Ų89.449%0.49147%0.465SS..Hα-helixtrans-45.8-49.9177.6-175.6-178.4-400114.3Q226 E227 K232 V233 L234Q226-Q230 PolarHBondContact O-N 2.95Å; E227-Q230 WeakPolarHBondContact O-CB 3.41Å; E227-Q230 PolarHBondContact O-N 3.4Å; Q230-K232 VanDerWaalsContact C-N 3.26Å; Q230-K232 PolarHBondContact O-N 3.12Å; Q230-V233 PolarHBondContact O-N 2.85Å; Q230-L234 HydrophobicContact CG-CD1 3.92Å; Q230-L234 HydrophobicContact CG-CG 4.25Å; Q230-L234 WeakPolarHBondContact O-CG 3.21Å; Q230-L234 PolarHBondContact O-N 3.06Å
231P93.7Very high93.5Very high81 Ų8190.3 Ų90.353%0.52647%0.471SS..Hα-helixtrans-62.1-32.6-178.523.4-34.6000113E227 A228 E229 S235E227-P231 WeakPolarHBondContact O-CD 3.48Å; A228-P231 WeakPolarHBondContact O-CD 3.25Å; E229-P231 VanDerWaalsContact C-CD 3.47Å; P231-S235 WeakPolarHBondContact O-CB 3.35Å; P231-S235 PolarHBondContact O-N 3.41Å
232K94.3Very high93.6Very high126 Ų12690.9 Ų90.955%0.54848%0.478SS..Hα-helixtrans-69.6-41.9177.1-61.8176.1-170.5161.10111.4E229 Q230 A236E229-K232 VanDerWaalsContact CD-NZ 3.25Å; E229-K232 WeakPolarHBondContact O-CB 3.25Å; E229-K232 PolarHBondContact O-N 2.83Å; E229-K232 IonicContact OE1-NZ 2.73Å; E229-K232 PolarHBondContact OE1-NZ 2.87Å; E229-K232 WeakPolarHBondContact OE2-CD 3.28Å; E229-K232 IonicContact OE2-NZ 3.92Å; E229-K232 PolarHBondContact OE2-NZ 2.86Å; Q230-K232 VanDerWaalsContact C-N 3.26Å; Q230-K232 PolarHBondContact O-N 3.12Å; K232-A236 WeakPolarHBondContact O-CB 3.32Å; K232-A236 PolarHBondContact O-N 3.11Å
233V93.9Very high93.6Very high92 Ų9295.7 Ų95.756%0.55850%0.5SS*.Hα-helixtrans-65.4-42.8177.2178.80000110.5E229 Q230 A236 V237E229-V233 PolarHBondContact O-N 2.85Å; Q230-V233 PolarHBondContact O-N 2.85Å; V233-A236 PolarHBondContact O-N 2.89Å; V233-V237 WeakPolarHBondContact O-CG2 3.26Å; V233-V237 PolarHBondContact O-N 3.42Å
234L95.4Very high93.6Very high90 Ų9093.5 Ų93.547%0.47150%0.498SS..Hα-helixtrans-62.8-45.9176.7-69.2177.5000111.9Q230 A236 V237 E238Q230-L234 HydrophobicContact CG-CD1 3.92Å; Q230-L234 HydrophobicContact CG-CG 4.25Å; Q230-L234 WeakPolarHBondContact O-CG 3.21Å; Q230-L234 PolarHBondContact O-N 3.06Å; L234-A236 VanDerWaalsContact C-N 3.32Å; L234-A236 PolarHBondContact O-N 3.27Å; L234-V237 WeakPolarHBondContact O-CB 3.23Å; L234-V237 PolarHBondContact O-N 2.92Å; L234-V237 VanDerWaalsContact O-N 3.1Å; L234-E238 WeakPolarHBondContact O-CG 3.43Å; L234-E238 PolarHBondContact O-N 3.26Å
235S95.6Very high93.7Very high54 Ų5492.7 Ų92.738%0.37850%0.495SS..Hα-helixtrans-57.1-44.3174.2-178.80000111.8P231 V237 E238 D239P231-S235 WeakPolarHBondContact O-CB 3.35Å; P231-S235 PolarHBondContact O-N 3.41Å; S235-V237 VanDerWaalsContact C-N 3.29Å; S235-V237 PolarHBondContact O-N 3.41Å; S235-E238 PolarHBondContact O-N 2.94Å; S235-D239 VanDerWaalsContact O-CG 3.25Å; S235-D239 PolarHBondContact O-N 3.39Å
236A94.9Very high93.7Very high56 Ų5691.5 Ų91.546%0.46350%0.497SS..Hα-helixtrans-64.9-32.417800000112.9K232 V233 L234 R240K232-A236 WeakPolarHBondContact O-CB 3.32Å; K232-A236 PolarHBondContact O-N 3.11Å; V233-A236 PolarHBondContact O-N 2.89Å; L234-A236 VanDerWaalsContact C-N 3.32Å; L234-A236 PolarHBondContact O-N 3.27Å; A236-R240 WeakPolarHBondContact O-CB 3.38Å; A236-R240 PolarHBondContact O-N 3.22Å; A236-R240 VanDerWaalsContact O-N 3.11Å
237V95.5Very high93.6Very high76 Ų7687.8 Ų87.846%0.46149%0.488SS..Hα-helixtrans-69.8-43.5173.7170.90000110.8V233 L234 S235 R240 M241V233-V237 WeakPolarHBondContact O-CG2 3.26Å; V233-V237 PolarHBondContact O-N 3.42Å; L234-V237 WeakPolarHBondContact O-CB 3.23Å; L234-V237 PolarHBondContact O-N 2.92Å; L234-V237 VanDerWaalsContact O-N 3.1Å; S235-V237 VanDerWaalsContact C-N 3.29Å; S235-V237 PolarHBondContact O-N 3.41Å; V237-R240 PolarHBondContact O-N 3.3Å; V237-M241 HydrophobicContact CG1-CG 4.46Å; V237-M241 HydrophobicContact CG1-SD 4.15Å; V237-M241 WeakPolarHBondContact O-CG 3.49Å; V237-M241 PolarHBondContact O-N 3.38Å
238E95.3Very high93.6Very high123 Ų12388 Ų8858%0.57549%0.491SS*.Hα-helixtrans-60.8-49176.2-71.5173.9167.500111.3L234 S235 R240 M241 D242L234-E238 WeakPolarHBondContact O-CG 3.43Å; L234-E238 PolarHBondContact O-N 3.26Å; S235-E238 PolarHBondContact O-N 2.94Å; E238-R240 VanDerWaalsContact C-N 3.25Å; E238-R240 PolarHBondContact O-N 2.99Å; E238-M241 WeakPolarHBondContact O-CA 3.31Å; E238-M241 WeakPolarHBondContact O-CB 3.4Å; E238-M241 PolarHBondContact O-N 3.41Å; E238-D242 PolarHBondContact O-N 3.27Å
239D93.9Very high93.5Very high91 Ų9186.9 Ų86.949%0.48748%0.481SS..Hα-helixtrans-55.6-43.7175-68.8-28.3000111S235 M241 D242 E243S235-D239 VanDerWaalsContact O-CG 3.25Å; S235-D239 PolarHBondContact O-N 3.39Å; D239-M241 PolarHBondContact O-N 3.09Å; D239-D242 PolarHBondContact O-N 2.97Å; D239-E243 WeakPolarHBondContact O-CG 3.42Å; D239-E243 PolarHBondContact O-N 3.22Å
240R95.4Very high93.5Very high139 Ų13988.5 Ų88.553%0.52549%0.488SS..Hα-helixtrans-67.4-35.9178.3-17455.4174.7176.10.2112.5A236 V237 E238 E243 L244A236-R240 WeakPolarHBondContact O-CB 3.38Å; A236-R240 PolarHBondContact O-N 3.22Å; A236-R240 VanDerWaalsContact O-N 3.11Å; V237-R240 PolarHBondContact O-N 3.3Å; E238-R240 VanDerWaalsContact C-N 3.25Å; E238-R240 PolarHBondContact O-N 2.99Å; R240-E243 WeakPolarHBondContact CD-OE2 3.4Å; R240-E243 IonicContact CZ-OE2 3.06Å; R240-E243 IonicContact NH1-OE2 2.81Å; R240-E243 PolarHBondContact NH1-OE2 3.19Å; R240-L244 HydrophobicContact CG-CD1 4.36Å; R240-L244 WeakPolarHBondContact O-CB 3.42Å; R240-L244 VanDerWaalsContact O-CG 3.27Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 3.27Å
241M96Very high93.2Very high123 Ų12387.1 Ų87.161%0.60649%0.49SS*.Hα-helixtrans-65.3-41.5174.5-75.917856.100111.2V237 E238 D239 L244 G245V237-M241 HydrophobicContact CG1-CG 4.46Å; V237-M241 HydrophobicContact CG1-SD 4.15Å; V237-M241 WeakPolarHBondContact O-CG 3.49Å; V237-M241 PolarHBondContact O-N 3.38Å; E238-M241 WeakPolarHBondContact O-CA 3.31Å; E238-M241 WeakPolarHBondContact O-CB 3.4Å; E238-M241 PolarHBondContact O-N 3.41Å; D239-M241 PolarHBondContact O-N 3.09Å; M241-L244 PolarHBondContact O-N 3.47Å; M241-G245 PolarHBondContact O-N 3.46Å
242D94Very high93.2Very high119 Ų11992.1 Ų92.164%0.63650%0.499SS*.Hα-helixtrans-66.6-43.1177.3-77.8-15.5000112E238 D239 L244 G245 A246E238-D242 PolarHBondContact O-N 3.27Å; D239-D242 PolarHBondContact O-N 2.97Å; D242-L244 PolarHBondContact O-N 2.82Å; D242-G245 PolarHBondContact O-N 3.27Å; D242-A246 WeakPolarHBondContact O-CB 3.34Å; D242-A246 PolarHBondContact O-N 2.98Å
243E91.8Very high93.1Very high115 Ų11593.2 Ų93.254%0.53750%0.499SS..Hα-helixtrans-56.6-48.1172.5-77.2-178.7174.200111.9D239 R240 G245 A246 G247D239-E243 WeakPolarHBondContact O-CG 3.42Å; D239-E243 PolarHBondContact O-N 3.22Å; R240-E243 WeakPolarHBondContact CD-OE2 3.4Å; R240-E243 IonicContact CZ-OE2 3.06Å; R240-E243 IonicContact NH1-OE2 2.81Å; R240-E243 PolarHBondContact NH1-OE2 3.19Å; E243-G245 VanDerWaalsContact C-N 3.33Å; E243-G245 PolarHBondContact O-N 3.29Å; E243-A246 PolarHBondContact O-N 3.39Å; E243-G247 PolarHBondContact O-N 2.87Å
244L90.9Very high92.9Very high92 Ų9292.1 Ų92.148%0.48249%0.493SS..Hα-helixtrans-64.6-39177.3-72.3172.1000111.3R240 M241 D242 G247 I248R240-L244 HydrophobicContact CG-CD1 4.36Å; R240-L244 WeakPolarHBondContact O-CB 3.42Å; R240-L244 VanDerWaalsContact O-CG 3.27Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 3.27Å; M241-L244 PolarHBondContact O-N 3.47Å; D242-L244 PolarHBondContact O-N 2.82Å; L244-G247 PolarHBondContact O-N 2.96Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 3.31Å
245G95.1Very high92.8Very high37 Ų3791.4 Ų91.438%0.38149%0.492SS..Hα-helixtrans-60.7-45.7175.100000112.5M241 D242 E243 I248 A249M241-G245 PolarHBondContact O-N 3.46Å; D242-G245 PolarHBondContact O-N 3.27Å; E243-G245 VanDerWaalsContact C-N 3.33Å; E243-G245 PolarHBondContact O-N 3.29Å; G245-I248 PolarHBondContact O-N 3.46Å; G245-A249 WeakPolarHBondContact O-CB 3.44Å; G245-A249 PolarHBondContact O-N 2.76Å
246A91.5Very high92.6Very high60 Ų6091.6 Ų91.650%0.49650%0.497SS..Hα-helixtrans-62.3-42.4174.900000111.7D242 E243 A249 Q250D242-A246 WeakPolarHBondContact O-CB 3.34Å; D242-A246 PolarHBondContact O-N 2.98Å; E243-A246 PolarHBondContact O-N 3.39Å; A246-A249 PolarHBondContact O-N 3.23Å; A246-Q250 PolarHBondContact O-N 3.41Å
247G88.3Confident92.6Very high28 Ų2894.5 Ų94.529%0.28950%0.504SS..Hα-helixtrans-60-47.8174.700000112.7E243 L244 A249 Q250 S251E243-G247 PolarHBondContact O-N 2.87Å; L244-G247 PolarHBondContact O-N 2.96Å; G247-A249 VanDerWaalsContact C-N 3.33Å; G247-A249 PolarHBondContact O-N 2.86Å; G247-Q250 WeakPolarHBondContact O-CB 3.47Å; G247-Q250 PolarHBondContact O-N 3.23Å; G247-S251 PolarHBondContact O-N 2.93Å; G247-S251 PolarHBondContact O-OG 3.31Å
248I92.9Very high92.4Very high94 Ų9496.1 Ų96.148%0.48251%0.509SS..Hα-helixtrans-60-43.8176.2-69.8165.6000110.8L244 G245 Q250 S251 R252L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 3.31Å; G245-I248 PolarHBondContact O-N 3.46Å; I248-Q250 VanDerWaalsContact C-N 3.33Å; I248-Q250 PolarHBondContact O-N 3.17Å; I248-S251 PolarHBondContact O-N 2.95Å; I248-R252 WeakPolarHBondContact O-CG 3.34Å; I248-R252 PolarHBondContact O-N 2.9Å
249A89.9Confident92.3Very high37 Ų3797.1 Ų97.131%0.30651%0.512SS..Hα-helixtrans-63.1-39.8177.900000111.8G245 A246 G247 R252 R253G245-A249 WeakPolarHBondContact O-CB 3.44Å; G245-A249 PolarHBondContact O-N 2.76Å; A246-A249 PolarHBondContact O-N 3.23Å; G247-A249 VanDerWaalsContact C-N 3.33Å; G247-A249 PolarHBondContact O-N 2.86Å; A249-R252 PolarHBondContact O-N 2.79Å; A249-R253 WeakPolarHBondContact O-CG 3.49Å; A249-R253 PolarHBondContact O-N 3.06Å; A249-R253 VanDerWaalsContact O-N 3.09Å; A249-R253 PolarHBondContact O-NH1 3.17Å
250Q92Very high92.3Very high120 Ų12096 Ų9656%0.56151%0.511SS*.Hα-helixtrans-63.7-49174.7-175.6178.93.700111.7A246 G247 I248 R252 R253 T254A246-Q250 PolarHBondContact O-N 3.41Å; G247-Q250 WeakPolarHBondContact O-CB 3.47Å; G247-Q250 PolarHBondContact O-N 3.23Å; I248-Q250 VanDerWaalsContact C-N 3.33Å; I248-Q250 PolarHBondContact O-N 3.17Å; Q250-R252 VanDerWaalsContact C-N 3.28Å; Q250-R252 PolarHBondContact O-N 2.98Å; Q250-R253 WeakPolarHBondContact O-CB 3.47Å; Q250-R253 PolarHBondContact O-N 2.81Å; Q250-R253 VanDerWaalsContact O-N 3.1Å; Q250-T254 PolarHBondContact O-N 2.87Å; Q250-T254 PolarHBondContact O-OG1 2.95Å
251S87Confident92.2Very high76 Ų7692.3 Ų92.353%0.53151%0.51SS..Hα-helixtrans-58.1-41.5177.3-600000111.8G247 I248 R253 T254 V255G247-S251 PolarHBondContact O-N 2.93Å; G247-S251 PolarHBondContact O-OG 3.31Å; I248-S251 PolarHBondContact O-N 2.95Å; S251-R253 PolarHBondContact O-N 3.25Å; S251-T254 PolarHBondContact O-N 3.4Å; S251-V255 WeakPolarHBondContact O-CG2 3.27Å; S251-V255 PolarHBondContact O-N 3.31Å
252R94.3Very high92.1Very high186 Ų18689 Ų8970%0.70250%0.502SS*.Hα-helixtrans-61.2-41.9175.5-74.5176.4177.3178.91112.4I248 A249 Q250 V255 A256I248-R252 WeakPolarHBondContact O-CG 3.34Å; I248-R252 PolarHBondContact O-N 2.9Å; A249-R252 PolarHBondContact O-N 2.79Å; Q250-R252 VanDerWaalsContact C-N 3.28Å; Q250-R252 PolarHBondContact O-N 2.98Å; R252-V255 PolarHBondContact O-N 3.18Å; R252-A256 PolarHBondContact O-N 2.82Å; R252-A256 VanDerWaalsContact O-N 3.07Å
253R92.2Very high92.1Very high149 Ų14986.6 Ų86.656%0.56249%0.492SS*.Hα-helixtrans-63.1-44.8175-72.7-172.7-63.1-89.93.4111.6A249 Q250 S251 V255 A256 L257A249-R253 WeakPolarHBondContact O-CG 3.49Å; A249-R253 PolarHBondContact O-N 3.06Å; A249-R253 VanDerWaalsContact O-N 3.09Å; A249-R253 PolarHBondContact O-NH1 3.17Å; Q250-R253 WeakPolarHBondContact O-CB 3.47Å; Q250-R253 PolarHBondContact O-N 2.81Å; Q250-R253 VanDerWaalsContact O-N 3.1Å; S251-R253 PolarHBondContact O-N 3.25Å; R253-V255 VanDerWaalsContact C-N 3.34Å; R253-V255 PolarHBondContact O-N 2.66Å; R253-A256 PolarHBondContact O-N 2.77Å; R253-L257 WeakPolarHBondContact O-CG 3.27Å; R253-L257 PolarHBondContact O-N 3.01Å
254T88.6Confident92.2Very high69 Ų6983.8 Ų83.842%0.42349%0.488SS..Hα-helixtrans-59.5-44.8177.2-56.10000111.6Q250 S251 A256 L257 I258Q250-T254 PolarHBondContact O-N 2.87Å; Q250-T254 PolarHBondContact O-OG1 2.95Å; S251-T254 PolarHBondContact O-N 3.4Å; T254-A256 VanDerWaalsContact C-N 3.33Å; T254-A256 PolarHBondContact O-N 2.8Å; T254-L257 PolarHBondContact O-N 3.48Å; T254-I258 HydrophobicContact CG2-CD1 3.98Å; T254-I258 WeakPolarHBondContact O-CG1 3.25Å; T254-I258 PolarHBondContact O-N 2.61Å
255V93.6Very high92.4Very high75 Ų7583.5 Ų83.546%0.45549%0.485SS..Hα-helixtrans-61.4-41.6176.7170.90000111.7S251 R252 R253 I258 K259S251-V255 WeakPolarHBondContact O-CG2 3.27Å; S251-V255 PolarHBondContact O-N 3.31Å; R252-V255 PolarHBondContact O-N 3.18Å; R253-V255 VanDerWaalsContact C-N 3.34Å; R253-V255 PolarHBondContact O-N 2.66Å; V255-I258 PolarHBondContact O-N 2.69Å; V255-K259 HydrophobicContact CG1-CD 4.36Å; V255-K259 WeakPolarHBondContact O-CG 3.28Å; V255-K259 PolarHBondContact O-N 2.83Å
256A92.1Very high92.4Very high58 Ų5890.6 Ų90.648%0.47950%0.5SS..Hα-helixtrans-63-43.6177.100000111.9R252 R253 T254 K259 S260R252-A256 PolarHBondContact O-N 2.82Å; R252-A256 VanDerWaalsContact O-N 3.07Å; R253-A256 PolarHBondContact O-N 2.77Å; T254-A256 VanDerWaalsContact C-N 3.33Å; T254-A256 PolarHBondContact O-N 2.8Å; A256-K259 PolarHBondContact O-N 2.94Å; A256-S260 PolarHBondContact O-N 2.76Å; A256-S260 PolarHBondContact O-OG 2.76Å
257L93.6Very high92.7Very high117 Ų11794 Ų9461%0.61351%0.506SS*.Hα-helixtrans-61.9-44.4176.9-71.7171.5000112.3R253 T254 K259 S260 A261R253-L257 WeakPolarHBondContact O-CG 3.27Å; R253-L257 PolarHBondContact O-N 3.01Å; T254-L257 PolarHBondContact O-N 3.48Å; L257-K259 VanDerWaalsContact C-N 3.32Å; L257-K259 PolarHBondContact O-N 2.88Å; L257-S260 PolarHBondContact O-N 2.83Å; L257-S260 PolarHBondContact O-OG 2.97Å; L257-A261 VanDerWaalsContact O-CB 3.27Å; L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 3.39Å
258I91.9Very high93.1Very high111 Ų11198.6 Ų98.657%0.56951%0.514SS*.Hα-helixtrans-59.7-45.6176.6-68.2166.2000110.2T254 V255 A261 A262T254-I258 HydrophobicContact CG2-CD1 3.98Å; T254-I258 WeakPolarHBondContact O-CG1 3.25Å; T254-I258 PolarHBondContact O-N 2.61Å; V255-I258 PolarHBondContact O-N 2.69Å; I258-A261 PolarHBondContact O-N 3.19Å; I258-A262 WeakPolarHBondContact O-CB 3.43Å; I258-A262 PolarHBondContact O-N 2.89Å
259K93Very high93.2Very high143 Ų14396.8 Ų96.862%0.62251%0.507SS*.Hα-helixtrans-62.2-47.4179-75.3-179.3177.6-175.40112.3V255 A256 L257 A262 V263V255-K259 HydrophobicContact CG1-CD 4.36Å; V255-K259 WeakPolarHBondContact O-CG 3.28Å; V255-K259 PolarHBondContact O-N 2.83Å; A256-K259 PolarHBondContact O-N 2.94Å; L257-K259 VanDerWaalsContact C-N 3.32Å; L257-K259 PolarHBondContact O-N 2.88Å; K259-A262 PolarHBondContact O-N 3.37Å; K259-V263 WeakPolarHBondContact O-CG2 3.46Å; K259-V263 PolarHBondContact O-N 3.15Å; K259-V263 VanDerWaalsContact O-N 3.15Å
260S94.3Very high93.5Very high69 Ų6998.9 Ų98.948%0.48352%0.519SS..Hα-helixtrans-65.7-40.3179.356.20000112.2A256 L257 V263 A264A256-S260 PolarHBondContact O-N 2.76Å; A256-S260 PolarHBondContact O-OG 2.76Å; L257-S260 PolarHBondContact O-N 2.83Å; L257-S260 PolarHBondContact O-OG 2.97Å; S260-V263 PolarHBondContact O-N 2.89Å; S260-A264 PolarHBondContact O-N 2.86Å
261A93.6Very high93.8Very high60 Ų6099 Ų9950%0.49652%0.52SS..Hα-helixtrans-63.9-42.9177.500000111.8L257 I258 V263 A264 E265L257-A261 VanDerWaalsContact O-CB 3.27Å; L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 3.39Å; I258-A261 PolarHBondContact O-N 3.19Å; A261-V263 VanDerWaalsContact C-N 3.35Å; A261-V263 PolarHBondContact O-N 3.23Å; A261-A264 PolarHBondContact O-N 2.97Å; A261-E265 WeakPolarHBondContact O-CB 3.16Å; A261-E265 PolarHBondContact O-N 2.96Å
262A92.8Very high94.2Very high54 Ų5499.4 Ų99.445%0.44652%0.516SS..Hα-helixtrans-63.8-37.8177.600000112.8I258 K259 R266I258-A262 WeakPolarHBondContact O-CB 3.43Å; I258-A262 PolarHBondContact O-N 2.89Å; K259-A262 PolarHBondContact O-N 3.37Å; A262-R266 WeakPolarHBondContact O-CB 3.36Å; A262-R266 VanDerWaalsContact O-CG 3.3Å; A262-R266 WeakPolarHBondContact O-CG 3.48Å; A262-R266 PolarHBondContact O-N 3.32Å; A262-R266 VanDerWaalsContact O-N 3.12Å
263V94.4Very high94.3Very high69 Ų6997.3 Ų97.342%0.41851%0.512SS..Hα-helixtrans-66.9-49.3175.6171.90000111K259 S260 A261 E265 R266 E267K259-V263 WeakPolarHBondContact O-CG2 3.46Å; K259-V263 PolarHBondContact O-N 3.15Å; K259-V263 VanDerWaalsContact O-N 3.15Å; S260-V263 PolarHBondContact O-N 2.89Å; A261-V263 VanDerWaalsContact C-N 3.35Å; A261-V263 PolarHBondContact O-N 3.23Å; V263-E265 VanDerWaalsContact C-N 3.31Å; V263-E265 PolarHBondContact O-N 2.69Å; V263-R266 WeakPolarHBondContact O-CB 3.3Å; V263-R266 PolarHBondContact O-N 3.26Å; V263-E267 PolarHBondContact O-N 3.43Å; V263-E267 VanDerWaalsContact O-N 3.1Å
264A94.8Very high94.5Very high55 Ų5593.2 Ų93.246%0.45551%0.51SS..Hα-helixtrans-59.5-41.7179.400000112.1S260 A261 E267 R268S260-A264 PolarHBondContact O-N 2.86Å; A261-A264 PolarHBondContact O-N 2.97Å; A264-E267 PolarHBondContact O-N 2.95Å; A264-R268 WeakPolarHBondContact O-CB 3.3Å; A264-R268 PolarHBondContact O-N 2.83Å
265E94.3Very high94.9Very high87 Ų8795 Ų9541%0.40751%0.514SS..Hα-helixtrans-68-37.8178.7-174.257.6-161.900112.3A261 V263 E267 R268 V269A261-E265 WeakPolarHBondContact O-CB 3.16Å; A261-E265 PolarHBondContact O-N 2.96Å; V263-E265 VanDerWaalsContact C-N 3.31Å; V263-E265 PolarHBondContact O-N 2.69Å; E265-E267 PolarHBondContact O-N 2.62Å; E265-R268 PolarHBondContact O-N 3.49Å; E265-R268 IonicContact OE1-CZ 3.39Å; E265-R268 IonicContact OE1-NE 2.85Å; E265-R268 PolarHBondContact OE1-NE 3.07Å; E265-R268 IonicContact OE1-NH2 3.05Å; E265-R268 PolarHBondContact OE1-NH2 3.25Å; E265-R268 IonicContact OE2-CZ 3.79Å; E265-R268 IonicContact OE2-NE 3.95Å; E265-R268 PolarHBondContact OE2-NE 3.3Å; E265-R268 IonicContact OE2-NH2 2.79Å; E265-V269 WeakPolarHBondContact O-CB 3.45Å; E265-V269 VanDerWaalsContact O-CG2 3.3Å; E265-V269 WeakPolarHBondContact O-CG2 3.43Å; E265-V269 PolarHBondContact O-N 2.81Å
266R95.7Very high95Very high185 Ų18593.9 Ų93.970%0.69851%0.512SS*.Hα-helixtrans-60.8-43.4174-80.5174.759.4-139.5-6.4112.4A262 V263 S270A262-R266 WeakPolarHBondContact O-CB 3.36Å; A262-R266 VanDerWaalsContact O-CG 3.3Å; A262-R266 WeakPolarHBondContact O-CG 3.48Å; A262-R266 PolarHBondContact O-N 3.32Å; A262-R266 VanDerWaalsContact O-N 3.12Å; V263-R266 WeakPolarHBondContact O-CB 3.3Å; V263-R266 PolarHBondContact O-N 3.26Å; R266-S270 WeakPolarHBondContact O-CB 3.39Å; R266-S270 PolarHBondContact O-N 3.03Å
267E97Very high95.1Very high133 Ų13393.3 Ų93.362%0.62151%0.507SS*.Hα-helixtrans-64-45.6177.6-72176.2173.700111V263 A264 E265 V269 S270 Q271V263-E267 PolarHBondContact O-N 3.43Å; V263-E267 VanDerWaalsContact O-N 3.1Å; A264-E267 PolarHBondContact O-N 2.95Å; E265-E267 PolarHBondContact O-N 2.62Å; E267-V269 PolarHBondContact O-N 3.36Å; E267-S270 WeakPolarHBondContact O-CB 3.47Å; E267-S270 PolarHBondContact O-N 3.5Å; E267-Q271 PolarHBondContact O-N 2.97Å
268R96.9Very high95.3Very high124 Ų12490.5 Ų90.547%0.46850%0.501SS..Hα-helixtrans-58.4-46.4176.7-165.6-171.773.776.52112A264 E265 Q271 L272A264-R268 WeakPolarHBondContact O-CB 3.3Å; A264-R268 PolarHBondContact O-N 2.83Å; E265-R268 PolarHBondContact O-N 3.49Å; E265-R268 IonicContact OE1-CZ 3.39Å; E265-R268 IonicContact OE1-NE 2.85Å; E265-R268 PolarHBondContact OE1-NE 3.07Å; E265-R268 IonicContact OE1-NH2 3.05Å; E265-R268 PolarHBondContact OE1-NH2 3.25Å; E265-R268 IonicContact OE2-CZ 3.79Å; E265-R268 IonicContact OE2-NE 3.95Å; E265-R268 PolarHBondContact OE2-NE 3.3Å; E265-R268 IonicContact OE2-NH2 2.79Å; R268-Q271 PolarHBondContact O-N 3.25Å; R268-L272 WeakPolarHBondContact O-CG 3.27Å; R268-L272 PolarHBondContact O-N 2.96Å
269V95.9Very high95.5Very high55 Ų5588.4 Ų88.433%0.33350%0.501SS..Hα-helixtrans-64-43177.4170.10000111.2E265 E267 Q271 L272 F273E265-V269 WeakPolarHBondContact O-CB 3.45Å; E265-V269 VanDerWaalsContact O-CG2 3.3Å; E265-V269 WeakPolarHBondContact O-CG2 3.43Å; E265-V269 PolarHBondContact O-N 2.81Å; E267-V269 PolarHBondContact O-N 3.36Å; V269-Q271 VanDerWaalsContact C-N 3.27Å; V269-Q271 PolarHBondContact O-N 3.38Å; V269-L272 PolarHBondContact O-N 2.86Å; V269-F273 HydrophobicContact CG1-CD2 3.77Å; V269-F273 HydrophobicContact CG1-CE2 3.65Å; V269-F273 WeakPolarHBondContact O-CD2 3.36Å; V269-F273 PolarHBondContact O-N 3.42Å; V269-F273 VanDerWaalsContact O-N 3.14Å
270S95.8Very high95.6Very high81 Ų8185.3 Ų85.357%0.56649%0.49SS*.Hα-helixtrans-59.6-39177.2-171.50000112.2R266 E267 A274R266-S270 WeakPolarHBondContact O-CB 3.39Å; R266-S270 PolarHBondContact O-N 3.03Å; E267-S270 WeakPolarHBondContact O-CB 3.47Å; E267-S270 PolarHBondContact O-N 3.5Å; S270-A274 PolarHBondContact O-N 3.36Å
271Q97.1Very high95.7Very high122 Ų12287.9 Ų87.957%0.5749%0.494SS*.Hα-helixtrans-65.4-44.3177.5-174.6174.3-3.100111.8E267 R268 V269 F273 A274 E275E267-Q271 PolarHBondContact O-N 2.97Å; R268-Q271 PolarHBondContact O-N 3.25Å; V269-Q271 VanDerWaalsContact C-N 3.27Å; V269-Q271 PolarHBondContact O-N 3.38Å; Q271-F273 VanDerWaalsContact C-N 3.32Å; Q271-F273 PolarHBondContact O-N 3.06Å; Q271-A274 WeakPolarHBondContact O-CB 3.42Å; Q271-A274 PolarHBondContact O-N 2.87Å; Q271-A274 VanDerWaalsContact O-N 3.11Å; Q271-E275 PolarHBondContact O-N 2.79Å
272L96.6Very high95.9Very high85 Ų8586.5 Ų86.545%0.44549%0.486SS..Hα-helixtrans-60.8-39.2177.7-70173.6000112.7R268 V269 E275 A276R268-L272 WeakPolarHBondContact O-CG 3.27Å; R268-L272 PolarHBondContact O-N 2.96Å; V269-L272 PolarHBondContact O-N 2.86Å; L272-E275 PolarHBondContact O-N 3.26Å; L272-A276 PolarHBondContact O-N 3.43Å
273F96.3Very high96Very high143 Ų14387 Ų8763%0.62748%0.479SS*.Hα-helixtrans-66.7-36175-84.2-70.1000112.7V269 Q271 A276 A277V269-F273 HydrophobicContact CG1-CD2 3.77Å; V269-F273 HydrophobicContact CG1-CE2 3.65Å; V269-F273 WeakPolarHBondContact O-CD2 3.36Å; V269-F273 PolarHBondContact O-N 3.42Å; V269-F273 VanDerWaalsContact O-N 3.14Å; Q271-F273 VanDerWaalsContact C-N 3.32Å; Q271-F273 PolarHBondContact O-N 3.06Å; F273-A276 PolarHBondContact O-N 3.42Å; F273-A277 WeakPolarHBondContact O-CB 3.49Å; F273-A277 PolarHBondContact O-N 3.44Å
274A96.4Very high96.1Very high63 Ų6389.5 Ų89.552%0.52149%0.486SS..Hα-helixtrans-64.8-42.1175.900000111.8S270 Q271 A277 A278S270-A274 PolarHBondContact O-N 3.36Å; Q271-A274 WeakPolarHBondContact O-CB 3.42Å; Q271-A274 PolarHBondContact O-N 2.87Å; Q271-A274 VanDerWaalsContact O-N 3.11Å; A274-A277 PolarHBondContact O-N 3.49Å; A274-A278 PolarHBondContact O-N 3.5Å
275E96.8Very high96.2Very high107 Ų10791.4 Ų91.450%0.549%0.491SS..Hα-helixtrans-63-44175.6-69.9173.1-164.400111.9Q271 L272 A277 A278 A279Q271-E275 PolarHBondContact O-N 2.79Å; L272-E275 PolarHBondContact O-N 3.26Å; E275-A277 PolarHBondContact O-N 2.98Å; E275-A278 PolarHBondContact O-N 2.97Å; E275-A279 PolarHBondContact O-N 2.94Å; E275-A279 VanDerWaalsContact O-N 3.11Å
276A95.3Very high96.3Very high51 Ų5193.6 Ų93.642%0.42150%0.502SS..Hα-helixtrans-63.1-42.1176.300000112.4L272 F273 A278 A279 L280L272-A276 PolarHBondContact O-N 3.43Å; F273-A276 PolarHBondContact O-N 3.42Å; A276-A278 VanDerWaalsContact C-N 3.34Å; A276-A278 PolarHBondContact O-N 3.38Å; A276-A279 PolarHBondContact O-N 3.14Å; A276-L280 WeakPolarHBondContact O-CG 3.5Å; A276-L280 PolarHBondContact O-N 3.49Å; A276-L280 VanDerWaalsContact O-N 3.11Å
277A95.3Very high96.2Very high45 Ų4585.9 Ų85.937%0.37248%0.475SS..Hα-helixtrans-61.7-41.7176.400000111.9F273 A274 E275 A279 L280 Q281F273-A277 WeakPolarHBondContact O-CB 3.49Å; F273-A277 PolarHBondContact O-N 3.44Å; A274-A277 PolarHBondContact O-N 3.49Å; E275-A277 PolarHBondContact O-N 2.98Å; A277-A279 VanDerWaalsContact C-N 3.34Å; A277-A279 PolarHBondContact O-N 3.32Å; A277-L280 PolarHBondContact O-N 3.29Å; A277-Q281 WeakPolarHBondContact O-CG 3.32Å; A277-Q281 PolarHBondContact O-N 3.15Å
278A96.9Very high96.1Very high58 Ų5883.7 Ų83.748%0.47947%0.467SS..Hα-helixtrans-61.9-40.8176.200000112.1A274 E275 A276 L280 Q281 G282A274-A278 PolarHBondContact O-N 3.5Å; E275-A278 PolarHBondContact O-N 2.97Å; A276-A278 VanDerWaalsContact C-N 3.34Å; A276-A278 PolarHBondContact O-N 3.38Å; A278-L280 PolarHBondContact O-N 3Å; A278-Q281 PolarHBondContact O-N 3.36Å; A278-G282 PolarHBondContact O-N 3.33Å
279A96.3Very high96Very high68 Ų6879.4 Ų79.456%0.56246%0.458SS*.Hα-helixtrans-62.5-41.7175.800000112.4E275 A276 A277 G282 F283E275-A279 PolarHBondContact O-N 2.94Å; E275-A279 VanDerWaalsContact O-N 3.11Å; A276-A279 PolarHBondContact O-N 3.14Å; A277-A279 VanDerWaalsContact C-N 3.34Å; A277-A279 PolarHBondContact O-N 3.32Å; A279-G282 PolarHBondContact O-N 3.48Å; A279-F283 PolarHBondContact O-N 3.01Å
280L95.9Very high95.9Very high77 Ų7781.5 Ų81.540%0.40346%0.463SS..Hα-helixtrans-68.1-39177.7-66.3175.1000112.7A276 A277 A278 G282 F283 Q284 L375A276-L280 WeakPolarHBondContact O-CG 3.5Å; A276-L280 PolarHBondContact O-N 3.49Å; A276-L280 VanDerWaalsContact O-N 3.11Å; A277-L280 PolarHBondContact O-N 3.29Å; A278-L280 PolarHBondContact O-N 3Å; L280-G282 VanDerWaalsContact C-N 3.31Å; L280-G282 PolarHBondContact O-N 3.17Å; L280-F283 PolarHBondContact O-N 3.44Å; L280-Q284 WeakPolarHBondContact O-CB 3.43Å; L280-Q284 PolarHBondContact O-N 2.87Å; L280-L375 HydrophobicContact CD1-CD1 4.15Å; L280-L375 HydrophobicContact CD2-CD1 3.47Å; L280-L375 VanDerWaalsContact CD2-CD1 3.47Å; L280-L375 HydrophobicContact CG-CD1 4.46Å
281Q96Very high95.7Very high123 Ų12380.1 Ų80.158%0.57545%0.449SS*.Hα-helixtrans-62.2-39.9172.5-72.6175.46.300111.5A277 A278 Q284 T285A277-Q281 WeakPolarHBondContact O-CG 3.32Å; A277-Q281 PolarHBondContact O-N 3.15Å; A278-Q281 PolarHBondContact O-N 3.36Å; Q281-Q284 PolarHBondContact O-N 3.26Å; Q281-T285 PolarHBondContact O-N 3.06Å; Q281-T285 PolarHBondContact O-OG1 3.06Å
282G97.1Very high95.5Very high31 Ų3180.4 Ų80.432%0.3245%0.45SS..Hα-helixtrans-59.8-47172.900000112.2A278 A279 L280 T285 Q286A278-G282 PolarHBondContact O-N 3.33Å; A279-G282 PolarHBondContact O-N 3.48Å; L280-G282 VanDerWaalsContact C-N 3.31Å; L280-G282 PolarHBondContact O-N 3.17Å; G282-T285 PolarHBondContact O-N 2.99Å; G282-Q286 WeakPolarHBondContact O-CG 3.05Å; G282-Q286 PolarHBondContact O-N 2.93Å; G282-Q286 VanDerWaalsContact O-N 3.09Å
283F96Very high95.3Very high66 Ų6682.7 Ų82.729%0.28946%0.459SS..Hα-helixtrans-63.3-42.7177-178.9-117000112.6A279 L280 T285 Q286 V287 V368 V371A279-F283 PolarHBondContact O-N 3.01Å; L280-F283 PolarHBondContact O-N 3.44Å; F283-T285 VanDerWaalsContact C-N 3.3Å; F283-T285 PolarHBondContact O-N 2.87Å; F283-Q286 PolarHBondContact O-N 3.29Å; F283-V287 HydrophobicContact CD1-CG2 4.44Å; F283-V287 HydrophobicContact CD2-CG2 4.25Å; F283-V287 HydrophobicContact CE1-CG2 4.02Å; F283-V287 HydrophobicContact CE2-CG2 3.81Å; F283-V287 HydrophobicContact CZ-CG2 3.69Å; F283-V287 WeakPolarHBondContact O-CG2 3.32Å; F283-V287 PolarHBondContact O-N 3.45Å; F283-V368 HydrophobicContact CE1-CG2 4.15Å; F283-V371 HydrophobicContact CD1-CG1 4.48Å; F283-V371 HydrophobicContact CE1-CB 4.18Å; F283-V371 HydrophobicContact CE1-CG1 4.32Å; F283-V371 HydrophobicContact CE1-CG2 3.86Å; F283-V371 HydrophobicContact CZ-CG2 3.95Å
284Q95.4Very high94.9Very high121 Ų12176.5 Ų76.557%0.56544%0.435SS*.Hα-helixtrans-56.2-46.4174.7-179.6-177.910.700111.3L280 Q281 Q286 V287 L288L280-Q284 WeakPolarHBondContact O-CB 3.43Å; L280-Q284 PolarHBondContact O-N 2.87Å; Q281-Q284 PolarHBondContact O-N 3.26Å; Q284-Q286 VanDerWaalsContact C-N 3.34Å; Q284-Q286 PolarHBondContact O-N 2.97Å; Q284-V287 PolarHBondContact O-N 2.91Å; Q284-L288 HydrophobicContact CG-CD1 4.19Å; Q284-L288 WeakPolarHBondContact O-CG 3.4Å; Q284-L288 PolarHBondContact O-N 3.09Å
285T96.9Very high94.5Very high94 Ų9478.3 Ų78.358%0.57743%0.433SS*.Hα-helixtrans-61.3-42.9179.6-53.40000111.4Q281 G282 F283 L288 A289Q281-T285 PolarHBondContact O-N 3.06Å; Q281-T285 PolarHBondContact O-OG1 3.06Å; G282-T285 PolarHBondContact O-N 2.99Å; F283-T285 VanDerWaalsContact C-N 3.3Å; F283-T285 PolarHBondContact O-N 2.87Å; T285-L288 PolarHBondContact O-N 3.1Å; T285-A289 WeakPolarHBondContact O-CB 3.19Å; T285-A289 PolarHBondContact O-N 3.49Å
286Q95.9Very high94.2Very high134 Ų13476.2 Ų76.263%0.62643%0.434SS*.Hα-helixtrans-63.5-42.4177.2-69.417216.600112.7G282 F283 Q284 F290G282-Q286 WeakPolarHBondContact O-CG 3.05Å; G282-Q286 PolarHBondContact O-N 2.93Å; G282-Q286 VanDerWaalsContact O-N 3.09Å; F283-Q286 PolarHBondContact O-N 3.29Å; Q284-Q286 VanDerWaalsContact C-N 3.34Å; Q284-Q286 PolarHBondContact O-N 2.97Å; Q286-F290 WeakPolarHBondContact O-CB 3.29Å; Q286-F290 PolarHBondContact O-N 2.71Å
287V95.1Very high93.8Very high22 Ų2276 Ų7613%0.13343%0.432CS..Hα-helixtrans-66.7-41.3-179.9172.80000111.6F283 Q284 F290 I291 V368F283-V287 HydrophobicContact CD1-CG2 4.44Å; F283-V287 HydrophobicContact CD2-CG2 4.25Å; F283-V287 HydrophobicContact CE1-CG2 4.02Å; F283-V287 HydrophobicContact CE2-CG2 3.81Å; F283-V287 HydrophobicContact CZ-CG2 3.69Å; F283-V287 WeakPolarHBondContact O-CG2 3.32Å; F283-V287 PolarHBondContact O-N 3.45Å; Q284-V287 PolarHBondContact O-N 2.91Å; V287-F290 PolarHBondContact O-N 2.89Å; V287-I291 HydrophobicContact CG1-CD1 4.21Å; V287-I291 WeakPolarHBondContact O-CG1 3.35Å; V287-I291 PolarHBondContact O-N 3.38Å; V287-V368 HydrophobicContact CB-CG2 4.49Å; V287-V368 HydrophobicContact CG1-CG2 3.93Å; V287-V368 HydrophobicContact CG2-CG2 4.09Å
288L95Very high93.3Very high88 Ų8875 Ų7546%0.46142%0.42SS..Hα-helixtrans-64.9-46.7176.8-70.2175.5000111.3Q284 T285 F290 I291 E292Q284-L288 HydrophobicContact CG-CD1 4.19Å; Q284-L288 WeakPolarHBondContact O-CG 3.4Å; Q284-L288 PolarHBondContact O-N 3.09Å; T285-L288 PolarHBondContact O-N 3.1Å; L288-F290 VanDerWaalsContact C-N 3.29Å; L288-F290 PolarHBondContact O-N 3.31Å; L288-I291 WeakPolarHBondContact O-CB 3.43Å; L288-I291 PolarHBondContact O-N 2.76Å; L288-E292 WeakPolarHBondContact O-CG 3.43Å; L288-E292 PolarHBondContact O-N 2.89Å
289A94.8Very high92.9Very high34 Ų3475.9 Ų75.928%0.28142%0.416SS..Hα-helixtrans-56.8-43175.900000111.9T285 I291 E292 E293T285-A289 WeakPolarHBondContact O-CB 3.19Å; T285-A289 PolarHBondContact O-N 3.49Å; A289-I291 VanDerWaalsContact C-N 3.31Å; A289-I291 PolarHBondContact O-N 3.41Å; A289-E292 PolarHBondContact O-N 3.48Å; A289-E293 WeakPolarHBondContact O-CB 3.39Å; A289-E293 VanDerWaalsContact O-CG 3.28Å; A289-E293 WeakPolarHBondContact O-CG 3.38Å; A289-E293 PolarHBondContact O-N 3.38Å
290F93.1Very high92.5Very high98 Ų9874.6 Ų74.643%0.4341%0.41SS..Hα-helixtrans-61.6-36.1176.4174-105.9000113.4Q286 V287 L288 G294 F361 S364Q286-F290 WeakPolarHBondContact O-CB 3.29Å; Q286-F290 PolarHBondContact O-N 2.71Å; V287-F290 PolarHBondContact O-N 2.89Å; L288-F290 VanDerWaalsContact C-N 3.29Å; L288-F290 PolarHBondContact O-N 3.31Å; F290-G294 PolarHBondContact O-N 2.76Å; F290-F361 HydrophobicContact CD1-CB 4.47Å; F290-F361 HydrophobicContact CE1-CB 4.13Å; F290-S364 VanDerWaalsContact CD1-OG 3.27Å; F290-S364 WeakPolarHBondContact CD1-OG 3.32Å; F290-S364 WeakPolarHBondContact CE1-OG 3.25Å
291I92.1Very high92Very high52 Ų5277.7 Ų77.727%0.26742%0.416SS..Hα-helixtrans-68.6-48.9175.8-66.4164.5000110V287 L288 A289 E293 G294 E295 F361V287-I291 HydrophobicContact CG1-CD1 4.21Å; V287-I291 WeakPolarHBondContact O-CG1 3.35Å; V287-I291 PolarHBondContact O-N 3.38Å; L288-I291 WeakPolarHBondContact O-CB 3.43Å; L288-I291 PolarHBondContact O-N 2.76Å; A289-I291 VanDerWaalsContact C-N 3.31Å; A289-I291 PolarHBondContact O-N 3.41Å; I291-E293 PolarHBondContact O-N 3.15Å; I291-G294 PolarHBondContact O-N 2.85Å; I291-E295 WeakPolarHBondContact O-CB 3.28Å; I291-E295 PolarHBondContact O-N 3.1Å; I291-F361 HydrophobicContact CG1-CB 4.24Å; I291-F361 HydrophobicContact CG2-CD2 4.19Å
292E92.7Very high91.4Very high128 Ų12874.9 Ų74.960%0.59841%0.41SS*.Hα-helixtrans-60-46.6-179.7-70.2175.7173.400111.6L288 A289 E295 A296L288-E292 WeakPolarHBondContact O-CG 3.43Å; L288-E292 PolarHBondContact O-N 2.89Å; A289-E292 PolarHBondContact O-N 3.48Å; E292-E295 PolarHBondContact O-N 2.8Å; E292-A296 VanDerWaalsContact O-CB 3.31Å; E292-A296 WeakPolarHBondContact O-CB 3.49Å; E292-A296 PolarHBondContact O-N 2.82Å
293E91.1Very high91.1Very high134 Ų13478.2 Ų78.263%0.62642%0.417SS*.Hα-helixtrans-63.1-42.9176.4-72.4174.7-168.600111.8A289 I291 A297A289-E293 WeakPolarHBondContact O-CB 3.39Å; A289-E293 VanDerWaalsContact O-CG 3.28Å; A289-E293 WeakPolarHBondContact O-CG 3.38Å; A289-E293 PolarHBondContact O-N 3.38Å; I291-E293 PolarHBondContact O-N 3.15Å; E293-A297 VanDerWaalsContact O-CB 3.3Å; E293-A297 WeakPolarHBondContact O-CB 3.29Å; E293-A297 PolarHBondContact O-N 2.83Å
294G88.4Confident90.7Very high13 Ų1376.1 Ų76.113%0.13442%0.415CS..Hα-helixtrans-63.9-43.1178.100000112.9F290 I291 M298F290-G294 PolarHBondContact O-N 2.76Å; I291-G294 PolarHBondContact O-N 2.85Å; G294-M298 WeakPolarHBondContact O-CB 3.45Å; G294-M298 WeakPolarHBondContact O-CG 3.27Å; G294-M298 PolarHBondContact O-N 2.85Å
295E88.3Confident90.2Very high101 Ų10172.2 Ų72.247%0.47240%0.398SS..Hα-helixtrans-62.5-53.3174.5-179.6-179.7-173.300110.9I291 E292 A297 M298 L299I291-E295 WeakPolarHBondContact O-CB 3.28Å; I291-E295 PolarHBondContact O-N 3.1Å; E292-E295 PolarHBondContact O-N 2.8Å; E295-A297 VanDerWaalsContact C-N 3.31Å; E295-A297 PolarHBondContact O-N 3.07Å; E295-M298 PolarHBondContact O-N 3.01Å; E295-M298 VanDerWaalsContact O-N 3.15Å; E295-L299 HydrophobicContact CG-CD1 3.72Å; E295-L299 HydrophobicContact CG-CG 4.23Å; E295-L299 WeakPolarHBondContact O-CB 3.25Å; E295-L299 WeakPolarHBondContact O-CG 3.26Å; E295-L299 PolarHBondContact O-N 3.27Å
296A90Very high89.7Confident63 Ų6372 Ų7252%0.52139%0.393SS..Hα-helixtrans-58.1-42.5-178.600000112E292 G300E292-A296 VanDerWaalsContact O-CB 3.31Å; E292-A296 WeakPolarHBondContact O-CB 3.49Å; E292-A296 PolarHBondContact O-N 2.82Å; A296-G300 PolarHBondContact O-N 3.07Å
297A87.8Confident89.4Confident46 Ų4673.1 Ų73.138%0.3839%0.391SS..Hα-helixtrans-65.7-40.2178.200000112.6E293 E295 R301E293-A297 VanDerWaalsContact O-CB 3.3Å; E293-A297 WeakPolarHBondContact O-CB 3.29Å; E293-A297 PolarHBondContact O-N 2.83Å; E295-A297 VanDerWaalsContact C-N 3.31Å; E295-A297 PolarHBondContact O-N 3.07Å; A297-R301 WeakPolarHBondContact O-CG 3.46Å; A297-R301 PolarHBondContact O-N 2.92Å; A297-R301 PolarHBondContact O-NH1 3.15Å
298M84.6Confident88.9Confident23 Ų2379 Ų7911%0.11341%0.411CS..Hα-helixtrans-71.3-44179.2-72.6-99.2-88.700112.3G294 E295 R301 S302 P356 L359G294-M298 WeakPolarHBondContact O-CB 3.45Å; G294-M298 WeakPolarHBondContact O-CG 3.27Å; G294-M298 PolarHBondContact O-N 2.85Å; E295-M298 PolarHBondContact O-N 3.01Å; E295-M298 VanDerWaalsContact O-N 3.15Å; M298-R301 VanDerWaalsContact CG-NH2 3.33Å; M298-R301 PolarHBondContact O-N 2.81Å; M298-R301 PolarHBondContact SD-NH2 2.99Å; M298-S302 WeakPolarHBondContact O-CB 3.32Å; M298-S302 PolarHBondContact O-N 2.65Å; M298-S302 PolarHBondContact O-OG 2.72Å; M298-P356 HydrophobicContact CE-CB 4.27Å; M298-P356 HydrophobicContact CE-CG 3.9Å; M298-P356 HydrophobicContact SD-CB 4.27Å; M298-P356 HydrophobicContact SD-CG 3.98Å; M298-L359 HydrophobicContact CE-CB 4.29Å; M298-L359 HydrophobicContact CE-CD2 3.12Å; M298-L359 HydrophobicContact CE-CG 4.26Å
299L87.7Confident88.5Confident77 Ų7780.6 Ų80.640%0.40342%0.416SS..Hα-helixtrans-62.9-44.4174.5-73.8177.5000110.7E295 R301 S302 Q303E295-L299 HydrophobicContact CG-CD1 3.72Å; E295-L299 HydrophobicContact CG-CG 4.23Å; E295-L299 WeakPolarHBondContact O-CB 3.25Å; E295-L299 WeakPolarHBondContact O-CG 3.26Å; E295-L299 PolarHBondContact O-N 3.27Å; L299-R301 PolarHBondContact O-N 2.8Å; L299-S302 PolarHBondContact O-N 2.91Å; L299-Q303 VanDerWaalsContact O-CB 3.28Å; L299-Q303 WeakPolarHBondContact O-CB 3.15Å; L299-Q303 VanDerWaalsContact O-CG 3.25Å; L299-Q303 WeakPolarHBondContact O-CG 3.38Å; L299-Q303 PolarHBondContact O-N 3.21Å
300G88.5Confident88.3Confident42 Ų4284 Ų8443%0.43343%0.426SS..Hα-helixtrans-57.5-45.4177.500000112.9A296 G304A296-G300 PolarHBondContact O-N 3.07Å; G300-G304 PolarHBondContact O-N 2.84Å
301R85.4Confident88.2Confident141 Ų14184.5 Ų84.553%0.53243%0.43SS..Hα-helixtrans-62-50.9174.6-72.3-171.1-61.5-88.85111.9A297 M298 L299 Q303 G304 D305A297-R301 WeakPolarHBondContact O-CG 3.46Å; A297-R301 PolarHBondContact O-N 2.92Å; A297-R301 PolarHBondContact O-NH1 3.15Å; M298-R301 VanDerWaalsContact CG-NH2 3.33Å; M298-R301 PolarHBondContact O-N 2.81Å; M298-R301 PolarHBondContact SD-NH2 2.99Å; L299-R301 PolarHBondContact O-N 2.8Å; R301-Q303 PolarHBondContact O-N 2.71Å; R301-G304 PolarHBondContact O-N 2.74Å; R301-D305 VanDerWaalsContact O-CG 3.31Å; R301-D305 PolarHBondContact O-N 2.79Å
302S84.1Confident87.9Confident64 Ų6485.6 Ų85.645%0.44843%0.434SS..Hα-helixtrans-64.6-41.6-176-52.50000112.5M298 L299 D305 L306M298-S302 WeakPolarHBondContact O-CB 3.32Å; M298-S302 PolarHBondContact O-N 2.65Å; M298-S302 PolarHBondContact O-OG 2.72Å; L299-S302 PolarHBondContact O-N 2.91Å; S302-D305 PolarHBondContact O-N 3.31Å; S302-L306 PolarHBondContact O-N 2.74Å
303Q89.4Confident87.8Confident101 Ų10188.8 Ų88.847%0.47244%0.44SS..Hα-helixtrans-66.7-38.2174.7-71.2176.31.600111.7L299 R301 D305 L306 R307L299-Q303 VanDerWaalsContact O-CB 3.28Å; L299-Q303 WeakPolarHBondContact O-CB 3.15Å; L299-Q303 VanDerWaalsContact O-CG 3.25Å; L299-Q303 WeakPolarHBondContact O-CG 3.38Å; L299-Q303 PolarHBondContact O-N 3.21Å; R301-Q303 PolarHBondContact O-N 2.71Å; Q303-D305 VanDerWaalsContact C-N 3.32Å; Q303-L306 PolarHBondContact O-N 3.49Å; Q303-R307 WeakPolarHBondContact O-CG 3.38Å; Q303-R307 PolarHBondContact O-N 3.1Å
304G88Confident87.8Confident23 Ų2385.1 Ų85.124%0.23743%0.429CS..Hα-helixtrans-60.9-41.8173.600000112.1G300 R301 R308G300-G304 PolarHBondContact O-N 2.84Å; R301-G304 PolarHBondContact O-N 2.74Å; G304-R308 VanDerWaalsContact C-NH1 3.26Å; G304-R308 WeakPolarHBondContact O-CG 3.34Å; G304-R308 PolarHBondContact O-N 2.83Å; G304-R308 PolarHBondContact O-NH1 3.46Å; G304-R308 VanDerWaalsContact O-NH1 3.15Å
305D84.6Confident87.8Confident39 Ų3990.3 Ų90.321%0.20945%0.445CS..Hα-helixtrans-67.2-43.7177.5-66.83.1000111.5R301 S302 Q303 R308 Q309R301-D305 VanDerWaalsContact O-CG 3.31Å; R301-D305 PolarHBondContact O-N 2.79Å; S302-D305 PolarHBondContact O-N 3.31Å; Q303-D305 VanDerWaalsContact C-N 3.32Å; D305-R308 PolarHBondContact O-N 2.97Å; D305-R308 IonicContact OD1-CZ 3.65Å; D305-R308 IonicContact OD1-NH1 3.1Å; D305-R308 PolarHBondContact OD1-NH1 2.91Å; D305-R308 IonicContact OD1-NH2 2.65Å; D305-R308 PolarHBondContact OD1-NH2 2.86Å; D305-Q309 WeakPolarHBondContact O-CG 3.42Å; D305-Q309 PolarHBondContact O-N 3.11Å
306L86.7Confident87.9Confident90 Ų9087.8 Ų87.847%0.47143%0.434SS..Hα-helixtrans-58.6-48.2175.2179.863.8000111.6S302 Q303 R308 Q309 E310S302-L306 PolarHBondContact O-N 2.74Å; Q303-L306 PolarHBondContact O-N 3.49Å; L306-R308 VanDerWaalsContact C-N 3.31Å; L306-R308 PolarHBondContact O-N 3.26Å; L306-Q309 PolarHBondContact O-N 3.4Å; L306-Q309 VanDerWaalsContact O-N 3.14Å; L306-E310 HydrophobicContact CD1-CG 4.28Å; L306-E310 HydrophobicContact CG-CG 4.43Å; L306-E310 WeakPolarHBondContact O-CG 3.3Å; L306-E310 PolarHBondContact O-N 2.78Å
307R89.6Confident88Confident157 Ų15788 Ų8859%0.59243%0.432SS*.Hα-helixtrans-57.7-43.7177.6-75.5177.7-175.6175.13.8111.8Q303 Q309 E310 E311Q303-R307 WeakPolarHBondContact O-CG 3.38Å; Q303-R307 PolarHBondContact O-N 3.1Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; R307-Q309 PolarHBondContact O-N 3.46Å; R307-E310 PolarHBondContact O-N 3.21Å; R307-E311 WeakPolarHBondContact O-CB 3.21Å; R307-E311 WeakPolarHBondContact O-CG 3.42Å; R307-E311 PolarHBondContact O-N 3.04Å
308R86.2Confident88.2Confident144 Ų14492.9 Ų92.954%0.54344%0.44SS..Hα-helixtrans-61.4-42.6176.9-69.6-166.5-50.7-84.313111.7G304 D305 L306 Q312G304-R308 VanDerWaalsContact C-NH1 3.26Å; G304-R308 WeakPolarHBondContact O-CG 3.34Å; G304-R308 PolarHBondContact O-N 2.83Å; G304-R308 PolarHBondContact O-NH1 3.46Å; G304-R308 VanDerWaalsContact O-NH1 3.15Å; D305-R308 PolarHBondContact O-N 2.97Å; D305-R308 IonicContact OD1-CZ 3.65Å; D305-R308 IonicContact OD1-NH1 3.1Å; D305-R308 PolarHBondContact OD1-NH1 2.91Å; D305-R308 IonicContact OD1-NH2 2.65Å; D305-R308 PolarHBondContact OD1-NH2 2.86Å; L306-R308 VanDerWaalsContact C-N 3.31Å; L306-R308 PolarHBondContact O-N 3.26Å; R308-Q312 WeakPolarHBondContact O-CB 3.28Å; R308-Q312 PolarHBondContact O-N 2.88Å
309Q86.2Confident88.5Confident123 Ų12392.3 Ų92.358%0.57544%0.44SS*.Hα-helixtrans-65.2-42.8176.7-70.3178.9-8.300112.5D305 L306 R307 Q312 R313D305-Q309 WeakPolarHBondContact O-CG 3.42Å; D305-Q309 PolarHBondContact O-N 3.11Å; L306-Q309 PolarHBondContact O-N 3.4Å; L306-Q309 VanDerWaalsContact O-N 3.14Å; R307-Q309 VanDerWaalsContact C-N 3.34Å; R307-Q309 PolarHBondContact O-N 3.46Å; Q309-Q312 PolarHBondContact O-N 2.82Å; Q309-R313 WeakPolarHBondContact O-CB 3.13Å; Q309-R313 PolarHBondContact O-N 3.48Å
310E90.6Very high88.7Confident104 Ų10497.5 Ų97.549%0.48645%0.454SS..Hα-helixtrans-64.9-41.7177.4-72.4178.2156.200112.4L306 R307 R313 S314L306-E310 HydrophobicContact CD1-CG 4.28Å; L306-E310 HydrophobicContact CG-CG 4.43Å; L306-E310 WeakPolarHBondContact O-CG 3.3Å; L306-E310 PolarHBondContact O-N 2.78Å; R307-E310 PolarHBondContact O-N 3.21Å; E310-R313 PolarHBondContact O-N 3.05Å; E310-S314 WeakPolarHBondContact O-CB 3.41Å; E310-S314 PolarHBondContact O-N 3.31Å; E310-S314 PolarHBondContact O-OG 3.03Å
311E89.5Confident89Confident109 Ų109100.5 Ų100.551%0.50946%0.457SS..Hα-helixtrans-63.1-46.2174.8-77.2177.7-169.900111.5R307 S314 R315R307-E311 WeakPolarHBondContact O-CB 3.21Å; R307-E311 WeakPolarHBondContact O-CG 3.42Å; R307-E311 PolarHBondContact O-N 3.04Å; E311-S314 PolarHBondContact O-N 3.45Å; E311-R315 WeakPolarHBondContact O-CG 3.4Å; E311-R315 PolarHBondContact O-N 3.41Å
312Q86.8Confident89.3Confident75 Ų7597.1 Ų97.135%0.3545%0.449SS..Hα-helixtrans-63.2-43.5178.3-171.2177.3-14.300111.6R308 Q309 S314 R315 L316R308-Q312 WeakPolarHBondContact O-CB 3.28Å; R308-Q312 PolarHBondContact O-N 2.88Å; Q309-Q312 PolarHBondContact O-N 2.82Å; Q312-S314 VanDerWaalsContact C-N 3.32Å; Q312-S314 PolarHBondContact O-N 3.39Å; Q312-R315 PolarHBondContact O-N 3.02Å; Q312-L316 HydrophobicContact CG-CD1 4.29Å; Q312-L316 WeakPolarHBondContact O-CG 3.4Å; Q312-L316 PolarHBondContact O-N 3.24Å
313R89.8Confident89.6Confident196 Ų19695.7 Ų95.774%0.7444%0.436SS*.Hα-helixtrans-57.9-44.9172.8-179.1-172.2171.3-164.3-2.1111.3Q309 E310 S317Q309-R313 WeakPolarHBondContact O-CB 3.13Å; Q309-R313 PolarHBondContact O-N 3.48Å; E310-R313 PolarHBondContact O-N 3.05Å; R313-S317 VanDerWaalsContact O-CB 3.31Å; R313-S317 WeakPolarHBondContact O-CB 3.49Å; R313-S317 PolarHBondContact O-N 2.94Å
314S90.9Very high89.7Confident56 Ų5695.3 Ų95.339%0.39245%0.445SS..Hα-helixtrans-66.4-40.9-179.5-60.10000112.1E310 E311 Q312 S317 R318E310-S314 WeakPolarHBondContact O-CB 3.41Å; E310-S314 PolarHBondContact O-N 3.31Å; E310-S314 PolarHBondContact O-OG 3.03Å; E311-S314 PolarHBondContact O-N 3.45Å; Q312-S314 VanDerWaalsContact C-N 3.32Å; Q312-S314 PolarHBondContact O-N 3.39Å; S314-S317 PolarHBondContact O-N 2.82Å; S314-R318 WeakPolarHBondContact O-CG 3.34Å; S314-R318 PolarHBondContact O-N 3.09Å
315R89.1Confident89.8Confident123 Ų123100.4 Ų100.446%0.46446%0.463SS..Hα-helixtrans-60.7-51.3174.4-74.2177.7-172.6-165.63.6111.5E311 Q312 S317 R318 A319 E347E311-R315 WeakPolarHBondContact O-CG 3.4Å; E311-R315 PolarHBondContact O-N 3.41Å; Q312-R315 PolarHBondContact O-N 3.02Å; R315-S317 VanDerWaalsContact C-N 3.32Å; R315-S317 PolarHBondContact O-N 2.94Å; R315-R318 PolarHBondContact O-N 2.99Å; R315-A319 WeakPolarHBondContact O-CB 3.32Å; R315-A319 PolarHBondContact O-N 2.97Å; R315-E347 IonicContact NH1-OE2 3.38Å
316L90.8Very high90.1Very high47 Ų47100 Ų10025%0.24646%0.461CS..Hα-helixtrans-60.3-41.4177.2-73.8168.9000112Q312 R320 L341 A344 L345Q312-L316 HydrophobicContact CG-CD1 4.29Å; Q312-L316 WeakPolarHBondContact O-CG 3.4Å; Q312-L316 PolarHBondContact O-N 3.24Å; L316-R320 VanDerWaalsContact O-CB 3.27Å; L316-R320 WeakPolarHBondContact O-CB 3.49Å; L316-R320 PolarHBondContact O-N 3.17Å; L316-L341 HydrophobicContact CD2-CD1 4.4Å; L316-A344 HydrophobicContact CD2-CB 3.92Å; L316-L345 HydrophobicContact CD2-CD2 4.25Å; L316-L345 HydrophobicContact CD2-CG 3.94Å
317S92.6Very high90.2Very high68 Ų6899.7 Ų99.748%0.47647%0.465SS..Hα-helixtrans-63.7-43.2177.4-168.90000112.3R313 S314 R315 Q321R313-S317 VanDerWaalsContact O-CB 3.31Å; R313-S317 WeakPolarHBondContact O-CB 3.49Å; R313-S317 PolarHBondContact O-N 2.94Å; S314-S317 PolarHBondContact O-N 2.82Å; R315-S317 VanDerWaalsContact C-N 3.32Å; R315-S317 PolarHBondContact O-N 2.94Å; S317-Q321 WeakPolarHBondContact O-CB 3.48Å; S317-Q321 PolarHBondContact O-N 2.92Å
318R91.9Very high89.8Confident148 Ų148101.9 Ų101.956%0.55848%0.482SS*.Hα-helixtrans-66.2-48.9177-76.6-172-65-1300.3111.9S314 R315 R320 Q321 N322S314-R318 WeakPolarHBondContact O-CG 3.34Å; S314-R318 PolarHBondContact O-N 3.09Å; R315-R318 PolarHBondContact O-N 2.99Å; R318-R320 VanDerWaalsContact C-N 3.27Å; R318-R320 PolarHBondContact O-N 2.93Å; R318-Q321 PolarHBondContact O-N 3.3Å; R318-N322 PolarHBondContact O-N 3.42Å; R318-N322 PolarHBondContact O-OD1 3Å
319A89.6Confident89.6Confident12 Ų1299.8 Ų99.810%0.09950%0.495CS..Hα-helixtrans-59-40178.200000111.7R315 L323 L341R315-A319 WeakPolarHBondContact O-CB 3.32Å; R315-A319 PolarHBondContact O-N 2.97Å; A319-L323 WeakPolarHBondContact O-CB 3.4Å; A319-L323 PolarHBondContact O-N 3.37Å; A319-L323 VanDerWaalsContact O-N 3.12Å; A319-L341 HydrophobicContact CB-CB 4.19Å; A319-L341 HydrophobicContact CB-CD1 3.75Å
320R93.3Very high89.7Confident186 Ų18697 Ų9770%0.70248%0.484SS*.Hα-helixtrans-61.9-44.8172.5176.1-175.2158.9-168.1-5.5112.1L316 R318 S324L316-R320 VanDerWaalsContact O-CB 3.27Å; L316-R320 WeakPolarHBondContact O-CB 3.49Å; L316-R320 PolarHBondContact O-N 3.17Å; R318-R320 VanDerWaalsContact C-N 3.27Å; R318-R320 PolarHBondContact O-N 2.93Å; R320-S324 PolarHBondContact O-N 2.79Å; R320-S324 VanDerWaalsContact O-N 3.14Å
321Q93.6Very high89.6Confident104 Ų10496 Ų9649%0.48649%0.489SS..Hα-helixtrans-67.9-44.6-178.4-172.9171.88.700111.8S317 R318 L323 S324 Q325S317-Q321 WeakPolarHBondContact O-CB 3.48Å; S317-Q321 PolarHBondContact O-N 2.92Å; R318-Q321 PolarHBondContact O-N 3.3Å; Q321-L323 PolarHBondContact O-N 2.83Å; Q321-S324 PolarHBondContact O-N 3.39Å; Q321-S324 VanDerWaalsContact O-N 3.13Å; Q321-S324 PolarHBondContact O-OG 3.22Å; Q321-Q325 WeakPolarHBondContact O-CG 3.38Å; Q321-Q325 PolarHBondContact O-N 3.49Å
322N91.7Very high89.7Confident71 Ų7195.3 Ų95.338%0.3849%0.492SS..Hα-helixtrans-56.5-50.2175.5-69.70.4000111R318 S324 Q325 V326 E337R318-N322 PolarHBondContact O-N 3.42Å; R318-N322 PolarHBondContact O-OD1 3Å; N322-S324 PolarHBondContact O-N 2.53Å; N322-Q325 PolarHBondContact O-N 3.44Å; N322-V326 WeakPolarHBondContact O-CG2 3.5Å; N322-V326 PolarHBondContact O-N 2.57Å; N322-E337 HydrophobicContact CB-CG 4.29Å; N322-E337 WeakPolarHBondContact CB-OE2 3.37Å; N322-E337 PolarHBondContact ND2-OE2 3.47Å
323L91.6Very high89.8Confident34 Ų3493.6 Ų93.618%0.17849%0.488CS..Hα-helixtrans-58.1-36.4177.6-175.163.6000112.3A319 Q321 Q325 F334 E337 L338 L341A319-L323 WeakPolarHBondContact O-CB 3.4Å; A319-L323 PolarHBondContact O-N 3.37Å; A319-L323 VanDerWaalsContact O-N 3.12Å; Q321-L323 PolarHBondContact O-N 2.83Å; L323-Q325 VanDerWaalsContact C-N 3.27Å; L323-Q325 PolarHBondContact O-N 3.19Å; L323-F334 HydrophobicContact CD1-CD2 3.82Å; L323-F334 HydrophobicContact CD1-CE2 3.91Å; L323-E337 HydrophobicContact CB-CB 4.25Å; L323-E337 HydrophobicContact CD1-CB 3.91Å; L323-L338 HydrophobicContact CD1-CB 4.06Å; L323-L338 HydrophobicContact CD2-CD1 3.89Å; L323-L341 HydrophobicContact CD2-CD2 3.79Å
324S90Very high89.9Confident93 Ų9388.8 Ų88.865%0.6547%0.473SS*.Hα-helixtrans-71.9-16.7177.572.60000114.7R320 Q321 N322R320-S324 PolarHBondContact O-N 2.79Å; R320-S324 VanDerWaalsContact O-N 3.14Å; Q321-S324 PolarHBondContact O-N 3.39Å; Q321-S324 VanDerWaalsContact O-N 3.13Å; Q321-S324 PolarHBondContact O-OG 3.22Å; N322-S324 PolarHBondContact O-N 2.53Å
325Q91.3Very high90Very high130 Ų13091.5 Ų91.561%0.60748%0.482SS*.Hα-helixtrans-98.1-4.9-179.3-69.5-177.9900113.3Q321 N322 L323 P327Q321-Q325 WeakPolarHBondContact O-CG 3.38Å; Q321-Q325 PolarHBondContact O-N 3.49Å; N322-Q325 PolarHBondContact O-N 3.44Å; L323-Q325 VanDerWaalsContact C-N 3.27Å; L323-Q325 PolarHBondContact O-N 3.19Å; Q325-P327 WeakPolarHBondContact O-CD 3.46Å
326V90.7Very high90.1Very high30 Ų3091.5 Ų91.518%0.18249%0.488CS..SBendtrans-68.8123.7179.2-177.80000110.1N322 D330 F334 E337N322-V326 WeakPolarHBondContact O-CG2 3.5Å; N322-V326 PolarHBondContact O-N 2.57Å; V326-D330 HydrophobicContact CG1-CB 4.5Å; V326-F334 HydrophobicContact CG1-CB 4.05Å; V326-E337 HydrophobicContact CG2-CB 4.39Å; V326-E337 HydrophobicContact CG2-CG 4.09Å
327P88.9Confident90.2Very high84 Ų8492 Ų9255%0.54549%0.488SS..  trans-63.8144.4175.1-19.632000112.2Q325 A329 D330Q325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-A329 PolarHBondContact O-N 3.22Å; P327-D330 PolarHBondContact O-N 3.27Å
328E80.1Confident90.1Very high202 Ų20291 Ų9194%0.94448%0.478SS*.THydrogen-bonded Turntrans-57.5-24.1-178.1-68.6-175.3168.100114.3
329A82.9Confident90.1Very high100 Ų10088.8 Ų88.883%0.82648%0.476SS*.THydrogen-bonded Turntrans-81-13.5-179.800000114.5P327P327-A329 PolarHBondContact O-N 3.22Å
330D87.8Confident90.1Very high65 Ų6590.3 Ų90.335%0.34849%0.489SS..  trans-103.583.3-176.5-171.2-6.7000111.9V326 P327 V332 S333 F334V326-D330 HydrophobicContact CG1-CB 4.5Å; P327-D330 PolarHBondContact O-N 3.27Å; D330-V332 VanDerWaalsContact C-N 3.29Å; D330-V332 PolarHBondContact O-N 2.72Å; D330-V332 PolarHBondContact OD1-N 2.69Å; D330-S333 VanDerWaalsContact CG-CB 3.49Å; D330-S333 PolarHBondContact OD1-N 2.72Å; D330-S333 VanDerWaalsContact OD1-N 3.16Å; D330-S333 PolarHBondContact OD1-OG 3.08Å; D330-S333 VanDerWaalsContact OD2-CB 3.25Å; D330-S333 WeakPolarHBondContact OD2-CB 3.41Å; D330-S333 PolarHBondContact OD2-OG 3Å; D330-F334 PolarHBondContact O-N 2.81Å
331S88.8Confident89.9Confident84 Ų8483 Ų8359%0.58746%0.464SS*.Hα-helixtrans-67.1-26.2-177.9-490000113.9L335S331-L335 WeakPolarHBondContact O-CG 3.36Å; S331-L335 PolarHBondContact O-N 2.87Å
332V91.6Very high89.7Confident93 Ų9385.2 Ų85.256%0.56447%0.467SS*.Hα-helixtrans-73.6-49.6-178.6177.50000109.7D330 F334 L335 Q336D330-V332 VanDerWaalsContact C-N 3.29Å; D330-V332 PolarHBondContact O-N 2.72Å; D330-V332 PolarHBondContact OD1-N 2.69Å; V332-F334 VanDerWaalsContact C-N 3.29Å; V332-F334 PolarHBondContact O-N 3.31Å; V332-L335 PolarHBondContact O-N 3.28Å; V332-Q336 WeakPolarHBondContact O-CG 3.44Å; V332-Q336 PolarHBondContact O-N 3.11Å; V332-Q336 VanDerWaalsContact O-N 3.12Å
333S89.3Confident89.5Confident39 Ų3986.2 Ų86.227%0.27347%0.472SS..Hα-helixtrans-61.9-36.9177.3-620000111.9D330 Q336 E337D330-S333 VanDerWaalsContact CG-CB 3.49Å; D330-S333 PolarHBondContact OD1-N 2.72Å; D330-S333 VanDerWaalsContact OD1-N 3.16Å; D330-S333 PolarHBondContact OD1-OG 3.08Å; D330-S333 VanDerWaalsContact OD2-CB 3.25Å; D330-S333 WeakPolarHBondContact OD2-CB 3.41Å; D330-S333 PolarHBondContact OD2-OG 3Å; S333-Q336 PolarHBondContact O-N 3.49Å; S333-E337 WeakPolarHBondContact O-CG 3.46Å; S333-E337 PolarHBondContact O-N 2.98Å
334F92.2Very high89.2Confident95 Ų9585.3 Ų85.342%0.41747%0.47SS..Hα-helixtrans-61-48.6176.6176.2-98000112.5L323 V326 D330 V332 Q336 L338L323-F334 HydrophobicContact CD1-CD2 3.82Å; L323-F334 HydrophobicContact CD1-CE2 3.91Å; V326-F334 HydrophobicContact CG1-CB 4.05Å; D330-F334 PolarHBondContact O-N 2.81Å; V332-F334 VanDerWaalsContact C-N 3.29Å; V332-F334 PolarHBondContact O-N 3.31Å; F334-Q336 VanDerWaalsContact C-N 3.32Å; F334-Q336 PolarHBondContact O-N 3.47Å; F334-L338 HydrophobicContact CE1-CD2 3.99Å; F334-L338 HydrophobicContact CZ-CD2 4.14Å; F334-L338 WeakPolarHBondContact O-CB 3.49Å; F334-L338 PolarHBondContact O-N 3.28Å
335L92.6Very high89Confident113 Ų11386.1 Ų86.159%0.59247%0.466SS*.Hα-helixtrans-65.7-36.3179.9-71.2172.9000111.8S331 V332 L339S331-L335 WeakPolarHBondContact O-CG 3.36Å; S331-L335 PolarHBondContact O-N 2.87Å; V332-L335 PolarHBondContact O-N 3.28Å; L335-L339 VanDerWaalsContact O-CB 3.3Å; L335-L339 WeakPolarHBondContact O-CB 3.28Å; L335-L339 PolarHBondContact O-N 2.82Å
336Q91.4Very high88.6Confident124 Ų12486.7 Ų86.758%0.57947%0.469SS*.Hα-helixtrans-67.5-48.5177.1-72.4177.5-12.300112.3V332 S333 F334 L339 A340V332-Q336 WeakPolarHBondContact O-CG 3.44Å; V332-Q336 PolarHBondContact O-N 3.11Å; V332-Q336 VanDerWaalsContact O-N 3.12Å; S333-Q336 PolarHBondContact O-N 3.49Å; F334-Q336 VanDerWaalsContact C-N 3.32Å; F334-Q336 PolarHBondContact O-N 3.47Å; Q336-L339 PolarHBondContact O-N 3.02Å; Q336-A340 WeakPolarHBondContact O-CB 3.31Å; Q336-A340 PolarHBondContact O-N 3.41Å
337E92.9Very high87.9Confident56 Ų5692 Ų9226%0.26249%0.492SS..Hα-helixtrans-69-35179.3-69.6-63.3159.200112.2N322 L323 V326 S333 A340 L341N322-E337 HydrophobicContact CB-CG 4.29Å; N322-E337 WeakPolarHBondContact CB-OE2 3.37Å; N322-E337 PolarHBondContact ND2-OE2 3.47Å; L323-E337 HydrophobicContact CB-CB 4.25Å; L323-E337 HydrophobicContact CD1-CB 3.91Å; V326-E337 HydrophobicContact CG2-CB 4.39Å; V326-E337 HydrophobicContact CG2-CG 4.09Å; S333-E337 WeakPolarHBondContact O-CG 3.46Å; S333-E337 PolarHBondContact O-N 2.98Å; E337-A340 PolarHBondContact O-N 3.49Å; E337-L341 WeakPolarHBondContact O-CB 3.44Å; E337-L341 PolarHBondContact O-N 3.28Å
338L90.9Very high86.7Confident48 Ų4889.7 Ų89.725%0.25148%0.483SS..Hα-helixtrans-66.4-39.7174.6-177.664.6000111.4L323 F334 L341 R342L323-L338 HydrophobicContact CD1-CB 4.06Å; L323-L338 HydrophobicContact CD2-CD1 3.89Å; F334-L338 HydrophobicContact CE1-CD2 3.99Å; F334-L338 HydrophobicContact CZ-CD2 4.14Å; F334-L338 WeakPolarHBondContact O-CB 3.49Å; F334-L338 PolarHBondContact O-N 3.28Å; L338-L341 PolarHBondContact O-N 3.29Å; L338-R342 WeakPolarHBondContact O-CG 3.46Å; L338-R342 PolarHBondContact O-N 3.31Å; L338-R342 VanDerWaalsContact O-N 3.07Å
339L90.7Very high85.3Confident102 Ų10286.4 Ų86.453%0.53448%0.481SS..Hα-helixtrans-65.7-43.7174.4-178.561.7000111.1L335 Q336 L341 R342 L343L335-L339 VanDerWaalsContact O-CB 3.3Å; L335-L339 WeakPolarHBondContact O-CB 3.28Å; L335-L339 PolarHBondContact O-N 2.82Å; Q336-L339 PolarHBondContact O-N 3.02Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.06Å; L339-R342 PolarHBondContact O-N 3.11Å; L339-L343 HydrophobicContact CD1-CG 4.44Å; L339-L343 HydrophobicContact CG-CD1 4.21Å; L339-L343 WeakPolarHBondContact O-CG 3.33Å; L339-L343 PolarHBondContact O-N 3.32Å
340A89.6Confident84.2Confident44 Ų4484.2 Ų84.236%0.36447%0.468SS..Hα-helixtrans-59.5-40.7176.100000112.3Q336 E337 A344Q336-A340 WeakPolarHBondContact O-CB 3.31Å; Q336-A340 PolarHBondContact O-N 3.41Å; E337-A340 PolarHBondContact O-N 3.49Å; A340-A344 WeakPolarHBondContact O-CB 3.29Å; A340-A344 PolarHBondContact O-N 2.98Å
341L90.4Very high82.8Confident32 Ų3287.7 Ų87.717%0.16849%0.494CS..Hα-helixtrans-65.2-41.2175.1-177.963000112.4L316 A319 L323 E337 L338 L339 A344 L345L316-L341 HydrophobicContact CD2-CD1 4.4Å; A319-L341 HydrophobicContact CB-CB 4.19Å; A319-L341 HydrophobicContact CB-CD1 3.75Å; L323-L341 HydrophobicContact CD2-CD2 3.79Å; E337-L341 WeakPolarHBondContact O-CB 3.44Å; E337-L341 PolarHBondContact O-N 3.28Å; L338-L341 PolarHBondContact O-N 3.29Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.06Å; L341-A344 PolarHBondContact O-N 2.84Å; L341-L345 HydrophobicContact CG-CD1 4.32Å; L341-L345 PolarHBondContact O-N 3.14Å; L341-L345 VanDerWaalsContact O-N 3.1Å
342R88.7Confident81.5Confident150 Ų15085.7 Ų85.757%0.56649%0.487SS*.Hα-helixtrans-63.7-44.1176.7-75.1-177.8179.6-151.91.1112L338 L339 A344 L345 E346L338-R342 WeakPolarHBondContact O-CG 3.46Å; L338-R342 PolarHBondContact O-N 3.31Å; L338-R342 VanDerWaalsContact O-N 3.07Å; L339-R342 PolarHBondContact O-N 3.11Å; R342-A344 VanDerWaalsContact C-N 3.35Å; R342-A344 PolarHBondContact O-N 3.47Å; R342-L345 WeakPolarHBondContact O-CB 3.36Å; R342-L345 PolarHBondContact O-N 3.38Å; R342-L345 VanDerWaalsContact O-N 3.15Å; R342-E346 WeakPolarHBondContact O-CG 3.37Å; R342-E346 PolarHBondContact O-N 3.25Å; R342-E346 VanDerWaalsContact O-N 3.09Å
343L87.8Confident80.1Confident92 Ų9286.5 Ų86.548%0.48249%0.494SS..Hα-helixtrans-62.5-42176.4-68.1171.3000111.7L339 L345 E346 E347L339-L343 HydrophobicContact CD1-CG 4.44Å; L339-L343 HydrophobicContact CG-CD1 4.21Å; L339-L343 WeakPolarHBondContact O-CG 3.33Å; L339-L343 PolarHBondContact O-N 3.32Å; L343-L345 PolarHBondContact O-N 3.35Å; L343-E346 PolarHBondContact O-N 3.18Å; L343-E347 PolarHBondContact O-N 3.11Å
344A85.7Confident78.8Confident15 Ų1587.2 Ų87.212%0.12451%0.508CS..Hα-helixtrans-65.2-25.517600000113.7L316 A340 L341 R342L316-A344 HydrophobicContact CD2-CB 3.92Å; A340-A344 WeakPolarHBondContact O-CB 3.29Å; A340-A344 PolarHBondContact O-N 2.98Å; L341-A344 PolarHBondContact O-N 2.84Å; R342-A344 VanDerWaalsContact C-N 3.35Å; R342-A344 PolarHBondContact O-N 3.47Å
345L84.6Confident77.3Confident110 Ų11088.4 Ų88.458%0.57653%0.525SS*.Hα-helixtrans-75.6-38.1172.9-84.2156.4000112L316 L341 R342 L343L316-L345 HydrophobicContact CD2-CD2 4.25Å; L316-L345 HydrophobicContact CD2-CG 3.94Å; L341-L345 HydrophobicContact CG-CD1 4.32Å; L341-L345 PolarHBondContact O-N 3.14Å; L341-L345 VanDerWaalsContact O-N 3.1Å; R342-L345 WeakPolarHBondContact O-CB 3.36Å; R342-L345 PolarHBondContact O-N 3.38Å; R342-L345 VanDerWaalsContact O-N 3.15Å; L343-L345 PolarHBondContact O-N 3.35Å
346E82.3Confident76Confident142 Ų14286.5 Ų86.566%0.66452%0.519SS*.Hα-helixtrans-74.3-30-177.1-72.9174-178.100113.3R342 L343 G348R342-E346 WeakPolarHBondContact O-CG 3.37Å; R342-E346 PolarHBondContact O-N 3.25Å; R342-E346 VanDerWaalsContact O-N 3.09Å; L343-E346 PolarHBondContact O-N 3.18Å; E346-G348 PolarHBondContact O-N 3.45Å; E346-G348 VanDerWaalsContact O-N 3.09Å
347E75.9Confident74.5Confident143 Ų14392.8 Ų92.867%0.66854%0.538SS*.THydrogen-bonded Turntrans-63.9-13.2176.9-77.5-175.4159.300114.1R315 L343 C349R315-E347 IonicContact NH1-OE2 3.38Å; L343-E347 PolarHBondContact O-N 3.11Å; E347-C349 PolarHBondContact O-N 2.97Å
348G64.6Low73.2Confident34 Ų3496 Ų9635%0.35155%0.553SS.*  trans-96.334-166.200000117.9E346E346-G348 PolarHBondContact O-N 3.45Å; E346-G348 VanDerWaalsContact O-N 3.09Å
349C51.3Low72.5Confident133 Ų13397.3 Ų97.390%0.89956%0.56SS**  trans-109.493.6-171.3-145.80000114.2E347E347-C349 PolarHBondContact O-N 2.97Å
350G59.6Low71.6Confident55 Ų5595.6 Ų95.657%0.56756%0.556SS**  trans17512116000000111.1G352G350-G352 PolarHBondContact O-N 3.4Å; G350-G352 VanDerWaalsContact O-N 3.1Å
351P57.4Low71.1Confident137 Ų13795.7 Ų95.789%0.8955%0.549SS*.PPolyproline II helixtrans-60.1118.7168.223.9-29.2000107.8
352G62.3Low70.6Confident43 Ų4397.5 Ų97.544%0.44356%0.561SS.*PPolyproline II helixtrans-54.9150.7175.200000110.4G350 G354G350-G352 PolarHBondContact O-N 3.4Å; G350-G352 VanDerWaalsContact O-N 3.1Å; G352-G354 PolarHBondContact O-N 3.5Å; G352-G354 VanDerWaalsContact O-N 3.09Å
353P61.3Low70.3Confident109 Ų10995.4 Ų95.471%0.70856%0.556SS**PPolyproline II helixtrans-52.4124.1175.820.8-29.5000108.7
354G62.1Low70.4Confident55 Ų5591.6 Ų91.657%0.56754%0.537SS*.PPolyproline II helixtrans-58.7171.9179.500000111.8G352G352-G354 PolarHBondContact O-N 3.5Å; G352-G354 VanDerWaalsContact O-N 3.09Å
355P62.1Low70.5Confident120 Ų12093.7 Ų93.778%0.77955%0.551SS**SBendtrans-51.9133.5-178.920.3-31.2000110.4R357P355-R357 PolarHBondContact O-N 3.34Å; P355-R357 VanDerWaalsContact O-N 3.16Å
356P63.5Low70.7Confident72 Ų7295 Ų9547%0.46855%0.554SS.*PPolyproline II helixtrans-56.7124.6-179.618.8-28.6000109.4M298 E358M298-P356 HydrophobicContact CE-CB 4.27Å; M298-P356 HydrophobicContact CE-CG 3.9Å; M298-P356 HydrophobicContact SD-CB 4.27Å; M298-P356 HydrophobicContact SD-CG 3.98Å; P356-E358 PolarHBondContact O-N 2.65Å
357R61Low70.9Confident257 Ų25790.6 Ų90.697%0.9754%0.542SS*.SBendtrans-67.1-18.5-177-78.9-175.8168.4-154.5-2.3113.4P355P355-R357 PolarHBondContact O-N 3.34Å; P355-R357 VanDerWaalsContact O-N 3.16Å
358E66Low71.7Confident123 Ų12386.8 Ų86.858%0.57553%0.528SS*.SBendtrans-145.9132.1-179.5-134.9-176.9-176.200110.4P356 K363P356-E358 PolarHBondContact O-N 2.65Å; E358-K363 VanDerWaalsContact CD-NZ 3.33Å; E358-K363 VanDerWaalsContact OE1-CE 3.25Å; E358-K363 WeakPolarHBondContact OE1-CE 3.48Å; E358-K363 IonicContact OE1-NZ 3.4Å; E358-K363 PolarHBondContact OE1-NZ 3.21Å; E358-K363 VanDerWaalsContact OE1-NZ 3.12Å; E358-K363 IonicContact OE2-NZ 3.74Å; E358-K363 PolarHBondContact OE2-NZ 3.12Å
359L76.2Confident73Confident76 Ų7691.7 Ų91.740%0.39854%0.536SS..  trans-86.7108.6172.3-55.5175.9000108M298 F361 T362M298-L359 HydrophobicContact CE-CB 4.29Å; M298-L359 HydrophobicContact CE-CD2 3.12Å; M298-L359 HydrophobicContact CE-CG 4.26Å; L359-F361 HydrophobicContact CB-CD1 4.47Å; L359-F361 HydrophobicContact CB-CE1 4.02Å; L359-F361 HydrophobicContact CB-CE2 4.47Å; L359-F361 HydrophobicContact CB-CZ 4.02Å; L359-F361 HydrophobicContact CD1-CE2 4.44Å; L359-F361 HydrophobicContact CD1-CZ 3.98Å; L359-F361 HydrophobicContact CG-CZ 4.4Å; L359-F361 PolarHBondContact O-N 2.84Å; L359-F361 VanDerWaalsContact O-N 3.13Å; L359-T362 HydrophobicContact CB-CG2 3.65Å; L359-T362 HydrophobicContact CD1-CG2 4.07Å; L359-T362 HydrophobicContact CG-CG2 4.42Å; L359-T362 WeakPolarHBondContact O-CB 3.35Å; L359-T362 PolarHBondContact O-N 3.18Å; L359-T362 PolarHBondContact O-OG1 3.05Å
360S70.6Confident74.9Confident66 Ų6688 Ų8846%0.46252%0.515SS..G310 helixtrans-56.7-32.4-171.853.30000114.2T362S360-T362 VanDerWaalsContact C-N 3.3Å; S360-T362 PolarHBondContact O-N 3.44Å
361F79Confident76.5Confident45 Ų4587.9 Ų87.920%0.19750%0.503CS..G310 helixtrans-76.4-8.7-179.461.1-97.9000114.6F290 I291 L359 K363 S364F290-F361 HydrophobicContact CD1-CB 4.47Å; F290-F361 HydrophobicContact CE1-CB 4.13Å; I291-F361 HydrophobicContact CG1-CB 4.24Å; I291-F361 HydrophobicContact CG2-CD2 4.19Å; L359-F361 HydrophobicContact CB-CD1 4.47Å; L359-F361 HydrophobicContact CB-CE1 4.02Å; L359-F361 HydrophobicContact CB-CE2 4.47Å; L359-F361 HydrophobicContact CB-CZ 4.02Å; L359-F361 HydrophobicContact CD1-CE2 4.44Å; L359-F361 HydrophobicContact CD1-CZ 3.98Å; L359-F361 HydrophobicContact CG-CZ 4.4Å; L359-F361 PolarHBondContact O-N 2.84Å; L359-F361 VanDerWaalsContact O-N 3.13Å; F361-K363 PolarHBondContact O-N 2.98Å; F361-S364 VanDerWaalsContact O-CB 3.27Å; F361-S364 WeakPolarHBondContact O-CB 3.27Å; F361-S364 PolarHBondContact O-N 3.23Å; F361-S364 PolarHBondContact O-OG 2.96Å
362T80.4Confident78.3Confident70 Ų7088.1 Ų88.143%0.42949%0.486SS..G310 helixtrans-68.6-22.8178.455.50000112.8L359 S360 S364 S365L359-T362 HydrophobicContact CB-CG2 3.65Å; L359-T362 HydrophobicContact CD1-CG2 4.07Å; L359-T362 HydrophobicContact CG-CG2 4.42Å; L359-T362 WeakPolarHBondContact O-CB 3.35Å; L359-T362 PolarHBondContact O-N 3.18Å; L359-T362 PolarHBondContact O-OG1 3.05Å; S360-T362 VanDerWaalsContact C-N 3.3Å; S360-T362 PolarHBondContact O-N 3.44Å; T362-S364 VanDerWaalsContact C-N 3.26Å; T362-S364 PolarHBondContact O-N 3.05Å; T362-S365 PolarHBondContact O-OG 3.44Å; T362-S365 VanDerWaalsContact O-OG 3.06Å
363K83.6Confident79.7Confident106 Ų10689.5 Ų89.546%0.46148%0.484SS..G310 helixtrans-71.8-17.1176.9-63.4177.1-177169.70112.9E358 F361 S365 Q366 A367E358-K363 VanDerWaalsContact CD-NZ 3.33Å; E358-K363 VanDerWaalsContact OE1-CE 3.25Å; E358-K363 WeakPolarHBondContact OE1-CE 3.48Å; E358-K363 IonicContact OE1-NZ 3.4Å; E358-K363 PolarHBondContact OE1-NZ 3.21Å; E358-K363 VanDerWaalsContact OE1-NZ 3.12Å; E358-K363 IonicContact OE2-NZ 3.74Å; E358-K363 PolarHBondContact OE2-NZ 3.12Å; F361-K363 PolarHBondContact O-N 2.98Å; K363-S365 VanDerWaalsContact C-N 3.26Å; K363-S365 PolarHBondContact O-N 3.37Å; K363-Q366 WeakPolarHBondContact O-CB 3.24Å; K363-Q366 PolarHBondContact O-N 3.36Å; K363-Q366 VanDerWaalsContact O-N 3.09Å; K363-A367 PolarHBondContact O-N 3.39Å
364S88.1Confident81.3Confident12 Ų1289.1 Ų89.18%0.08448%0.479CS..Hα-helixtrans-58.4-36177.6-57.30000113F290 F361 T362 Q366 A367 V368F290-S364 VanDerWaalsContact CD1-OG 3.27Å; F290-S364 WeakPolarHBondContact CD1-OG 3.32Å; F290-S364 WeakPolarHBondContact CE1-OG 3.25Å; F361-S364 VanDerWaalsContact O-CB 3.27Å; F361-S364 WeakPolarHBondContact O-CB 3.27Å; F361-S364 PolarHBondContact O-N 3.23Å; F361-S364 PolarHBondContact O-OG 2.96Å; T362-S364 VanDerWaalsContact C-N 3.26Å; T362-S364 PolarHBondContact O-N 3.05Å; S364-Q366 VanDerWaalsContact C-N 3.31Å; S364-Q366 PolarHBondContact O-N 3.04Å; S364-A367 PolarHBondContact O-N 3.34Å; S364-V368 WeakPolarHBondContact O-CG2 3.34Å; S364-V368 PolarHBondContact O-N 3.01Å
365S88.2Confident82.8Confident59 Ų5989.8 Ų89.841%0.41347%0.47SS..Hα-helixtrans-63.5-36.8177.466.10000112.6T362 K363 R369T362-S365 PolarHBondContact O-OG 3.44Å; T362-S365 VanDerWaalsContact O-OG 3.06Å; K363-S365 VanDerWaalsContact C-N 3.26Å; K363-S365 PolarHBondContact O-N 3.37Å; S365-R369 VanDerWaalsContact O-CG 3.32Å; S365-R369 WeakPolarHBondContact O-CG 3.34Å; S365-R369 PolarHBondContact O-N 2.92Å
366Q88.3Confident84Confident137 Ų13786.8 Ų86.864%0.6446%0.455SS*.Hα-helixtrans-71-39176.6-171.1173.98.900111.2K363 S364 R369 A370K363-Q366 WeakPolarHBondContact O-CB 3.24Å; K363-Q366 PolarHBondContact O-N 3.36Å; K363-Q366 VanDerWaalsContact O-N 3.09Å; S364-Q366 VanDerWaalsContact C-N 3.31Å; S364-Q366 PolarHBondContact O-N 3.04Å; Q366-R369 PolarHBondContact O-N 3.48Å; Q366-A370 PolarHBondContact O-N 3.45Å
367A87.9Confident85.3Confident50 Ų5087.4 Ų87.441%0.41346%0.457SS..Hα-helixtrans-62.7-45.1175.100000112.1K363 S364 R369 A370 V371K363-A367 PolarHBondContact O-N 3.39Å; S364-A367 PolarHBondContact O-N 3.34Å; A367-R369 PolarHBondContact O-N 2.96Å; A367-A370 PolarHBondContact O-N 2.98Å; A367-V371 PolarHBondContact O-N 3Å; A367-V371 VanDerWaalsContact O-N 3.14Å
368V92.9Very high86.7Confident63 Ų6377.1 Ų77.138%0.38243%0.427SS..Hα-helixtrans-64.3-40.1176.6175.70000111.6F283 V287 S364 V371 R372F283-V368 HydrophobicContact CE1-CG2 4.15Å; V287-V368 HydrophobicContact CB-CG2 4.49Å; V287-V368 HydrophobicContact CG1-CG2 3.93Å; V287-V368 HydrophobicContact CG2-CG2 4.09Å; S364-V368 WeakPolarHBondContact O-CG2 3.34Å; S364-V368 PolarHBondContact O-N 3.01Å; V368-V371 PolarHBondContact O-N 3.4Å; V368-R372 WeakPolarHBondContact O-CB 3.27Å; V368-R372 PolarHBondContact O-N 3.41Å
369R91.1Very high87.7Confident138 Ų13875 Ų7552%0.52143%0.425SS..Hα-helixtrans-61-44.2174.3-75.5178.1-154.2152.26.5112S365 Q366 A367 V371 R372 D373S365-R369 VanDerWaalsContact O-CG 3.32Å; S365-R369 WeakPolarHBondContact O-CG 3.34Å; S365-R369 PolarHBondContact O-N 2.92Å; Q366-R369 PolarHBondContact O-N 3.48Å; A367-R369 PolarHBondContact O-N 2.96Å; R369-V371 VanDerWaalsContact C-N 3.34Å; R369-V371 PolarHBondContact O-N 2.92Å; R369-R372 WeakPolarHBondContact O-CB 3.44Å; R369-R372 PolarHBondContact O-N 3.04Å; R369-D373 WeakPolarHBondContact O-CB 3.26Å; R369-D373 PolarHBondContact O-N 3.38Å
370A91.8Very high88.1Confident54 Ų5474 Ų7445%0.44643%0.428SS..Hα-helixtrans-60-43.9178.300000111.9Q366 A367 D373 V374Q366-A370 PolarHBondContact O-N 3.45Å; A367-A370 PolarHBondContact O-N 2.98Å; A370-D373 PolarHBondContact O-N 3.15Å; A370-V374 WeakPolarHBondContact O-CG2 3.17Å; A370-V374 PolarHBondContact O-N 3.46Å
371V92.8Very high88.8Confident54 Ų5475 Ų7533%0.32743%0.428SS..Hα-helixtrans-63.8-45.1176.2173.70000111.4F283 A367 V368 R369 D373 V374 L375F283-V371 HydrophobicContact CD1-CG1 4.48Å; F283-V371 HydrophobicContact CE1-CB 4.18Å; F283-V371 HydrophobicContact CE1-CG1 4.32Å; F283-V371 HydrophobicContact CE1-CG2 3.86Å; F283-V371 HydrophobicContact CZ-CG2 3.95Å; A367-V371 PolarHBondContact O-N 3Å; A367-V371 VanDerWaalsContact O-N 3.14Å; V368-V371 PolarHBondContact O-N 3.4Å; R369-V371 VanDerWaalsContact C-N 3.34Å; R369-V371 PolarHBondContact O-N 2.92Å; V371-D373 VanDerWaalsContact C-N 3.33Å; V371-D373 PolarHBondContact O-N 3.45Å; V371-V374 PolarHBondContact O-N 3.16Å; V371-L375 HydrophobicContact CG1-CD1 3.77Å; V371-L375 HydrophobicContact CG1-CG 4.48Å; V371-L375 WeakPolarHBondContact O-CB 3.43Å; V371-L375 VanDerWaalsContact O-CG 3.32Å; V371-L375 WeakPolarHBondContact O-CG 3.41Å; V371-L375 PolarHBondContact O-N 3.2Å
372R94.7Very high89.1Confident141 Ų14177.8 Ų77.853%0.53244%0.441SS..Hα-helixtrans-57.2-46.3174.9177.5-152.164.4-173-4111.5V368 R369 L375 A376V368-R372 WeakPolarHBondContact O-CB 3.27Å; V368-R372 PolarHBondContact O-N 3.41Å; R369-R372 WeakPolarHBondContact O-CB 3.44Å; R369-R372 PolarHBondContact O-N 3.04Å; R372-L375 PolarHBondContact O-N 3.47Å; R372-A376 WeakPolarHBondContact O-CB 3.26Å; R372-A376 PolarHBondContact O-N 3.45Å
373D92.6Very high89.1Confident72 Ų7281.2 Ų81.239%0.38545%0.447SS..Hα-helixtrans-65.8-41.9-176.1-67-18.3000111.1R369 A370 V371 A376 V377R369-D373 WeakPolarHBondContact O-CB 3.26Å; R369-D373 PolarHBondContact O-N 3.38Å; A370-D373 PolarHBondContact O-N 3.15Å; V371-D373 VanDerWaalsContact C-N 3.33Å; V371-D373 PolarHBondContact O-N 3.45Å; D373-A376 PolarHBondContact O-N 3.1Å; D373-V377 WeakPolarHBondContact O-CB 3.22Å; D373-V377 VanDerWaalsContact O-CG2 3.26Å; D373-V377 WeakPolarHBondContact O-CG2 3.43Å; D373-V377 PolarHBondContact O-N 3.07Å
374V94.6Very high88.9Confident102 Ų10280.8 Ų80.862%0.61845%0.446SS*.Hα-helixtrans-61.9-44.4173.3173.20000111.1A370 V371 A378A370-V374 WeakPolarHBondContact O-CG2 3.17Å; A370-V374 PolarHBondContact O-N 3.46Å; V371-V374 PolarHBondContact O-N 3.16Å; V374-A378 WeakPolarHBondContact O-CB 3.02Å; V374-A378 PolarHBondContact O-N 3.18Å
375L93.4Very high88.4Confident69 Ų6986.8 Ų86.836%0.36147%0.473SS..Hα-helixtrans-65.6-43.1177.7-72.7163.6000112.2L280 V371 R372 V377 A378 C379L280-L375 HydrophobicContact CD1-CD1 4.15Å; L280-L375 HydrophobicContact CD2-CD1 3.47Å; L280-L375 VanDerWaalsContact CD2-CD1 3.47Å; L280-L375 HydrophobicContact CG-CD1 4.46Å; V371-L375 HydrophobicContact CG1-CD1 3.77Å; V371-L375 HydrophobicContact CG1-CG 4.48Å; V371-L375 WeakPolarHBondContact O-CB 3.43Å; V371-L375 VanDerWaalsContact O-CG 3.32Å; V371-L375 WeakPolarHBondContact O-CG 3.41Å; V371-L375 PolarHBondContact O-N 3.2Å; R372-L375 PolarHBondContact O-N 3.47Å; L375-V377 PolarHBondContact O-N 3.29Å; L375-A378 PolarHBondContact O-N 3.1Å; L375-C379 WeakPolarHBondContact O-CB 3.46Å; L375-C379 PolarHBondContact O-N 3.09Å; L375-C379 PolarHBondContact O-SG 2.98Å
376A87.9Confident87.6Confident57 Ų5790.5 Ų90.547%0.47149%0.488SS..Hα-helixtrans-62.2-45.2178.500000111.2R372 D373 A380R372-A376 WeakPolarHBondContact O-CB 3.26Å; R372-A376 PolarHBondContact O-N 3.45Å; D373-A376 PolarHBondContact O-N 3.1Å; A376-A380 VanDerWaalsContact O-CB 3.24Å; A376-A380 WeakPolarHBondContact O-CB 3.48Å; A376-A380 PolarHBondContact O-N 3.3Å
377V90.5Very high86.2Confident84 Ų8490 Ų9051%0.50948%0.48SS..Hα-helixtrans-67-44.1176.3172.60000111D373 L375 A380 N381D373-V377 WeakPolarHBondContact O-CB 3.22Å; D373-V377 VanDerWaalsContact O-CG2 3.26Å; D373-V377 WeakPolarHBondContact O-CG2 3.43Å; D373-V377 PolarHBondContact O-N 3.07Å; L375-V377 PolarHBondContact O-N 3.29Å; V377-A380 PolarHBondContact O-N 3.45Å; V377-N381 WeakPolarHBondContact CG1-ND2 3.43Å; V377-N381 VanDerWaalsContact O-CB 3.28Å; V377-N381 WeakPolarHBondContact O-CB 3.43Å; V377-N381 PolarHBondContact O-N 3.46Å; V377-N381 PolarHBondContact O-ND2 2.97Å; V377-N381 PolarHBondContact O-OD1 3.43Å
378A90Very high84Confident42 Ų4290 Ų9035%0.34748%0.484SS..Hα-helixtrans-63.1-46178.100000111.5V374 L375 N381 Q382V374-A378 WeakPolarHBondContact O-CB 3.02Å; V374-A378 PolarHBondContact O-N 3.18Å; L375-A378 PolarHBondContact O-N 3.1Å; A378-N381 PolarHBondContact O-N 3.33Å; A378-Q382 VanDerWaalsContact O-CB 3.26Å; A378-Q382 WeakPolarHBondContact O-CB 3.15Å; A378-Q382 WeakPolarHBondContact O-CG 3.41Å; A378-Q382 PolarHBondContact O-N 3.2Å
379C87.9Confident82Confident77 Ų7789.5 Ų89.552%0.5248%0.482SS..Hα-helixtrans-62.7-43.9175.9-71.60000111.4L375 W383L375-C379 WeakPolarHBondContact O-CB 3.46Å; L375-C379 PolarHBondContact O-N 3.09Å; L375-C379 PolarHBondContact O-SG 2.98Å; C379-W383 WeakPolarHBondContact O-CB 3.41Å; C379-W383 PolarHBondContact O-N 3.38Å
380A83.6Confident79.5Confident56 Ų5686 Ų8646%0.46349%0.49SS..Hα-helixtrans-61.8-47.2176.500000111.5A376 V377 W383 E384A376-A380 VanDerWaalsContact O-CB 3.24Å; A376-A380 WeakPolarHBondContact O-CB 3.48Å; A376-A380 PolarHBondContact O-N 3.3Å; V377-A380 PolarHBondContact O-N 3.45Å; A380-W383 PolarHBondContact O-N 2.91Å; A380-E384 VanDerWaalsContact O-CB 3.25Å; A380-E384 WeakPolarHBondContact O-CB 3.31Å; A380-E384 PolarHBondContact O-N 3.07Å
381N86.4Confident76.6Confident86 Ų8687 Ų8746%0.4651%0.505SS..Hα-helixtrans-64.9-44179.8-69.2-14.8000112.1V377 A378 E384 Q385V377-N381 WeakPolarHBondContact CG1-ND2 3.43Å; V377-N381 VanDerWaalsContact O-CB 3.28Å; V377-N381 WeakPolarHBondContact O-CB 3.43Å; V377-N381 PolarHBondContact O-N 3.46Å; V377-N381 PolarHBondContact O-ND2 2.97Å; V377-N381 PolarHBondContact O-OD1 3.43Å; A378-N381 PolarHBondContact O-N 3.33Å; N381-E384 PolarHBondContact O-N 3.44Å; N381-Q385 VanDerWaalsContact O-CG 3.26Å; N381-Q385 WeakPolarHBondContact O-CG 3.41Å; N381-Q385 PolarHBondContact O-N 2.98Å
382Q84.6Confident73.7Confident104 Ų10492.3 Ų92.349%0.48653%0.531SS..Hα-helixtrans-71.7-36.8179.3-68.2-61.5-44.800111.7A378 E384 Q385 L386A378-Q382 VanDerWaalsContact O-CB 3.26Å; A378-Q382 WeakPolarHBondContact O-CB 3.15Å; A378-Q382 WeakPolarHBondContact O-CG 3.41Å; A378-Q382 PolarHBondContact O-N 3.2Å; Q382-E384 VanDerWaalsContact C-N 3.34Å; Q382-Q385 VanDerWaalsContact NE2-OE1 3.13Å; Q382-Q385 PolarHBondContact O-N 3.24Å; Q382-L386 WeakPolarHBondContact O-CB 3.5Å; Q382-L386 VanDerWaalsContact O-CG 3.3Å; Q382-L386 WeakPolarHBondContact O-CG 3.43Å; Q382-L386 PolarHBondContact O-N 3.35Å
383W79.6Confident71.1Confident142 Ų14294.2 Ų94.254%0.53855%0.546SS..Hα-helixtrans-65.5-38.6173.8-178.5-110.4000111.7C379 A380 Q385 L386 R387C379-W383 WeakPolarHBondContact O-CB 3.41Å; C379-W383 PolarHBondContact O-N 3.38Å; A380-W383 PolarHBondContact O-N 2.91Å; W383-Q385 VanDerWaalsContact C-N 3.3Å; W383-Q385 PolarHBondContact O-N 2.98Å; W383-L386 PolarHBondContact O-N 3.37Å; W383-R387 VanDerWaalsContact NE1-CZ 3.33Å; W383-R387 WeakPolarHBondContact O-CB 3.42Å; W383-R387 PolarHBondContact O-N 3.49Å
384E79.3Confident68.1Low98 Ų9898.8 Ų98.846%0.45857%0.571SS.*Hα-helixtrans-66.2-33.5174.2-166.764.4-159.400111.9A380 N381 Q382 R529A380-E384 VanDerWaalsContact O-CB 3.25Å; A380-E384 WeakPolarHBondContact O-CB 3.31Å; A380-E384 PolarHBondContact O-N 3.07Å; N381-E384 PolarHBondContact O-N 3.44Å; Q382-E384 VanDerWaalsContact C-N 3.34Å; E384-R529 VanDerWaalsContact CD-NH2 3.32Å; E384-R529 IonicContact OE1-CZ 3.14Å; E384-R529 IonicContact OE1-NE 3.36Å; E384-R529 IonicContact OE1-NH1 2.84Å; E384-R529 PolarHBondContact OE1-NH1 3.45Å; E384-R529 IonicContact OE1-NH2 2.94Å; E384-R529 PolarHBondContact OE1-NH2 3.48Å; E384-R529 IonicContact OE2-CZ 3.59Å; E384-R529 IonicContact OE2-NH1 3.62Å; E384-R529 PolarHBondContact OE2-NH1 3.28Å; E384-R529 VanDerWaalsContact OE2-NH1 3.15Å; E384-R529 IonicContact OE2-NH2 2.6Å; E384-R529 PolarHBondContact OE2-NH2 3.2Å
385Q78.3Confident65Low137 Ų13797.3 Ų97.364%0.6458%0.576SS**Hα-helixtrans-72.4-36.3172.7-72.9172900113.1N381 Q382 W383N381-Q385 VanDerWaalsContact O-CG 3.26Å; N381-Q385 WeakPolarHBondContact O-CG 3.41Å; N381-Q385 PolarHBondContact O-N 2.98Å; Q382-Q385 VanDerWaalsContact NE2-OE1 3.13Å; Q382-Q385 PolarHBondContact O-N 3.24Å; W383-Q385 VanDerWaalsContact C-N 3.3Å; W383-Q385 PolarHBondContact O-N 2.98Å
386L72Confident62.6Low138 Ų13899.4 Ų99.472%0.72359%0.594SS**Hα-helixtrans-79.5-35.9179.8-73.7169.8000112.8Q382 W383 G388Q382-L386 WeakPolarHBondContact O-CB 3.5Å; Q382-L386 VanDerWaalsContact O-CG 3.3Å; Q382-L386 WeakPolarHBondContact O-CG 3.43Å; Q382-L386 PolarHBondContact O-N 3.35Å; W383-L386 PolarHBondContact O-N 3.37Å; L386-G388 PolarHBondContact O-N 2.86Å
387R58.1Low59.6Low126 Ų126104.6 Ų104.648%0.47561%0.608SS.*SBendtrans-82.552.7179.4-164.7-157.3-82.4-152.3-5.8110.9W383W383-R387 VanDerWaalsContact NE1-CZ 3.33Å; W383-R387 WeakPolarHBondContact O-CB 3.42Å; W383-R387 PolarHBondContact O-N 3.49Å
388G43Very low56.5Low49 Ų49108.6 Ų108.651%0.50562%0.619SS.*  trans-40.5143.2168.700000111.7L386 G390L386-G388 PolarHBondContact O-N 2.86Å; G388-G390 PolarHBondContact O-N 2.99Å
389P50.1Low53.4Low53 Ų53114.1 Ų114.134%0.34464%0.642SS.*SBendtrans-60.2120.3-15524.3-33.8000112.9W494 R529P389-W494 HydrophobicContact CG-CH2 4.06Å; P389-W494 HydrophobicContact CG-CZ2 3.89Å; P389-R529 HydrophobicContact CB-CB 3.95Å
390G38.7Very low50.4Low66 Ų66117.4 Ų117.468%0.6865%0.654SS**  trans155134.6164.700000115.4G388G388-G390 PolarHBondContact O-N 2.99Å
391G30.3Very low47.7Very low73 Ų73120 Ų12075%0.75367%0.669SS**  trans128.4101151.800000117.1
392N32.2Very low44.8Very low166 Ų166125 Ų12589%0.88869%0.69SS**  trans84.2101.9154.8-67.36000120.1
393E41Very low42Very low181 Ų181125 Ų12585%0.84671%0.707SS**  trans-57.3134.2134.9-60.8-168.8110.200110.4
394D29.4Very low39.3Very low169 Ų169125.7 Ų125.790%0.90472%0.721SS**  -174.9113.7126-103.4-33.1000110.7
395G28.2Very low36.7Very low71 Ų71125.9 Ų125.973%0.73274%0.74SS**  trans94.6150.5144.500000119.6
396P43Very low34.2Very low112 Ų112127.6 Ų127.673%0.72775%0.748SS**  trans-125.7-175.4-13033.2-14.1000114.6
397Q26.6Very low32.6Very low167 Ų167125.5 Ų125.578%0.7874%0.743SS**  trans85.7137.1166.6-52174.9-3.200113.2
398K25.1Very low31.1Very low168 Ų168129.3 Ų129.373%0.7377%0.766SS**  cis-174.8143.520.1-133.2171.3-178.8178.40104.3
399L23.8Very low30.4Very low157 Ų157134.2 Ų134.282%0.82278%0.78SS**  -173.399.6121.7-142.859.3000110
400D26.1Very low30.1Very low146 Ų146137 Ų13778%0.78180%0.798SS**  trans-63.4126.8144.7-56.6-53.3000107.1
401S26Very low29.4Very low111 Ų111140.5 Ų140.578%0.77680%0.802SS**  trans-169.4111.6138.3-79.60000109.2
402E26.4Very low29.3Very low191 Ų191141.1 Ų141.189%0.89380%0.795SS**  trans-52.8143.1170.1-61.8160.7120.600111.5
403A24.4Very low29.3Very low103 Ų103139.2 Ų139.285%0.85179%0.789SS**  trans-142.699.6151.100000107.8
404D23.6Very low28.9Very low157 Ų157139 Ų13984%0.8479%0.793SS**  trans-53.1132.7163.8-95.9-46.1000111.8
405A25Very low28.9Very low103 Ų103138.7 Ų138.785%0.85179%0.791SS**  trans-164.689.5147.100000110.2
406E24.7Very low29.4Very low172 Ų172142.6 Ų142.680%0.80479%0.794SS**  trans-87.3172.1156.4-91.9-10710900109.7
407P39.8Very low29.1Very low95 Ų95144.4 Ų144.462%0.61779%0.793SS**  cis-135.6155.2-19.531.1-12.8000113.4
408Q26Very low29.7Very low205 Ų205140.8 Ų140.896%0.95879%0.787SS**  trans-145105.6152.2-75-166-26.200111.3
409D27.5Very low31Very low152 Ų152140.2 Ų140.281%0.81379%0.787SS**  trans-74.6167.9159.9-131.9-0.7000109.3
410P45.4Very low33Very low111 Ų111134 Ų13472%0.72176%0.757SS**  cis-136.9159.11037.1-16.1000116.5
411D24.1Very low35.4Very low141 Ų141131.3 Ų131.375%0.75475%0.748SS**  154.6129.8115.4-158.11.6000112.7
412S27.6Very low38.1Very low86 Ų86128.4 Ų128.460%0.60172%0.72SS**  trans8390.3154.2-67.10000120.2
413T31.7Very low40.7Very low125 Ų125125 Ų12577%0.76771%0.708SS**  trans59.684.7132.449.50000118
414N32.9Very low43.5Very low176 Ų176125.3 Ų125.394%0.94169%0.688SS**  trans-159.962.4145.4-90.1-38.6000109.9
415L30.1Very low46.4Very low163 Ų163118.4 Ų118.485%0.85365%0.65SS**  trans-116.5127.5171.3-99.8156.9000108.9
416L37.2Very low49.2Very low153 Ų153115.7 Ų115.780%0.80162%0.621SS**  trans82.282.7177.3-65.9108.5000118
417E37.4Very low51.9Low150 Ų150113.5 Ų113.570%0.70161%0.609SS**  trans-113.987.5131-76-169.5153.400108R576E417-R576 IonicContact OE1-CZ 3.8Å; E417-R576 IonicContact OE1-NH1 3.79Å; E417-R576 PolarHBondContact OE1-NH1 3.39Å; E417-R576 IonicContact OE2-CZ 3.65Å; E417-R576 IonicContact OE2-NH1 2.7Å; E417-R576 PolarHBondContact OE2-NH1 3.38Å
418S38.9Very low54.1Low92 Ų92112.3 Ų112.364%0.64359%0.594SS**  trans-40.6139.2174.1-178.40000112.7A420S418-A420 PolarHBondContact O-N 3.03Å
419E53.1Low57Low156 Ų156104.4 Ų104.473%0.72956%0.564SS**  trans-57.890.7160.6-69.8-164.415100108.4
420A65.6Low59.9Low25 Ų25100.2 Ų100.221%0.20754%0.537CS..  trans-65.6133.3177.900000108.2S418 Y424 F425S418-A420 PolarHBondContact O-N 3.03Å; A420-Y424 HydrophobicContact CB-CD1 3.89Å; A420-Y424 HydrophobicContact CB-CG 4.23Å; A420-F425 HydrophobicContact CB-CE2 3.69Å; A420-F425 HydrophobicContact CB-CZ 4.03Å; A420-F425 WeakPolarHBondContact O-CE2 3.35Å
421P76.2Confident61.8Low90 Ų9099.5 Ų99.558%0.58453%0.526SS*.  trans-63.4150.4-178.624.7-32.6000110.4D423 Y424P421-D423 PolarHBondContact O-N 3.46Å; P421-Y424 VanDerWaalsContact O-CB 3.24Å; P421-Y424 WeakPolarHBondContact O-CB 3.47Å; P421-Y424 PolarHBondContact O-N 3.39Å
422R82.6Confident65.1Low51 Ų5192.9 Ų92.919%0.19249%0.491CS..Hα-helixtrans-49.4-36.9-178.1-175.1173.3177.2-1142.7113.8Y424 F425 L426 E487 G569 M571R422-Y424 PolarHBondContact O-N 3.5Å; R422-F425 PolarHBondContact O-N 2.92Å; R422-F425 VanDerWaalsContact O-N 3.14Å; R422-L426 HydrophobicContact CG-CD1 4.22Å; R422-L426 HydrophobicContact CG-CG 4.36Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 2.77Å; R422-L426 VanDerWaalsContact O-N 3.14Å; R422-E487 IonicContact CZ-OE1 3.33Å; R422-E487 IonicContact CZ-OE2 2.81Å; R422-E487 IonicContact NE-OE1 3.65Å; R422-E487 PolarHBondContact NE-OE1 3.29Å; R422-E487 IonicContact NE-OE2 3.34Å; R422-E487 VanDerWaalsContact NH2-CD 3.35Å; R422-E487 IonicContact NH2-OE1 3.94Å; R422-E487 PolarHBondContact NH2-OE1 3.07Å; R422-E487 IonicContact NH2-OE2 2.65Å; R422-E487 PolarHBondContact NH2-OE2 2.95Å; R422-G569 WeakPolarHBondContact CB-O 3.15Å; R422-M571 VanDerWaalsContact CA-SD 3.54Å; R422-M571 HydrophobicContact CB-CG 3.98Å; R422-M571 HydrophobicContact CB-SD 3.82Å; R422-M571 HydrophobicContact CG-CG 4.21Å; R422-M571 HydrophobicContact CG-SD 3.85Å
423D80.9Confident68.1Low119 Ų11991.1 Ų91.164%0.63648%0.475SS*.Hα-helixtrans-61-25.2177.9-64.5-17.9000114.1P421P421-D423 PolarHBondContact O-N 3.46Å
424Y83.7Confident71.2Confident110 Ų11085.6 Ų85.643%0.43144%0.441SS..Hα-helixtrans-67.3-49.8173.2174.7-96.7000111.1A420 P421 R422 L426 K427 F428A420-Y424 HydrophobicContact CB-CD1 3.89Å; A420-Y424 HydrophobicContact CB-CG 4.23Å; P421-Y424 VanDerWaalsContact O-CB 3.24Å; P421-Y424 WeakPolarHBondContact O-CB 3.47Å; P421-Y424 PolarHBondContact O-N 3.39Å; R422-Y424 PolarHBondContact O-N 3.5Å; Y424-L426 VanDerWaalsContact C-N 3.33Å; Y424-L426 PolarHBondContact O-N 2.97Å; Y424-K427 WeakPolarHBondContact O-CB 3.15Å; Y424-K427 WeakPolarHBondContact O-CG 3.44Å; Y424-K427 PolarHBondContact O-N 3.38Å; Y424-F428 HydrophobicContact CD1-CE2 4.49Å; Y424-F428 AromaticContact CE1-CE2 3.95Å; Y424-F428 HydrophobicContact CE1-CE2 3.95Å; Y424-F428 HydrophobicContact CE2-CE2 4.29Å; Y424-F428 AromaticContact CZ-CE2 3.83Å
425F83.8Confident74.1Confident12 Ų1278.4 Ų78.45%0.05340%0.402CS..Hα-helixtrans-67.3-34.3-178.3-67.2-79.5000112.4A420 R422 K427 F428 Y485 Y564 M571A420-F425 HydrophobicContact CB-CE2 3.69Å; A420-F425 HydrophobicContact CB-CZ 4.03Å; A420-F425 WeakPolarHBondContact O-CE2 3.35Å; R422-F425 PolarHBondContact O-N 2.92Å; R422-F425 VanDerWaalsContact O-N 3.14Å; F425-K427 PolarHBondContact O-N 2.93Å; F425-K427 VanDerWaalsContact O-N 3.09Å; F425-F428 PolarHBondContact O-N 3.19Å; F425-Y485 HydrophobicContact CB-CD1 3.9Å; F425-Y485 HydrophobicContact CB-CD2 3.97Å; F425-Y485 HydrophobicContact CB-CE1 3.99Å; F425-Y485 HydrophobicContact CB-CE2 4.06Å; F425-Y485 HydrophobicContact CB-CG 3.88Å; F425-Y485 HydrophobicContact CD1-CD2 4.26Å; F425-Y485 HydrophobicContact CG-CD2 4.42Å; F425-Y485 HydrophobicContact CG-CE2 4.41Å; F425-Y564 HydrophobicContact CE1-CE1 4.45Å; F425-Y564 HydrophobicContact CE1-CE2 4Å; F425-Y564 AromaticContact CE1-CZ 3.74Å; F425-Y564 HydrophobicContact CE2-CE1 4.38Å; F425-Y564 AromaticContact CZ-CE1 3.85Å; F425-Y564 HydrophobicContact CZ-CE1 3.85Å; F425-Y564 HydrophobicContact CZ-CE2 4.21Å; F425-Y564 AromaticContact CZ-CZ 3.57Å; F425-Y564 WeakPolarHBondContact CZ-OH 3.45Å; F425-M571 HydrophobicContact CB-CE 4.39Å; F425-M571 HydrophobicContact CB-SD 4.3Å; F425-M571 HydrophobicContact CD2-CE 3.54Å; F425-M571 HydrophobicContact CD2-SD 3.41Å; F425-M571 WeakPolarHBondContact CD2-SD 3.25Å; F425-M571 HydrophobicContact CE2-CE 3.83Å; F425-M571 HydrophobicContact CE2-SD 4Å; F425-M571 HydrophobicContact CG-CE 3.9Å; F425-M571 HydrophobicContact CG-SD 4.09Å; F425-M571 HydrophobicContact CZ-CE 4.45Å
426L84.8Confident77.2Confident45 Ų4573.3 Ų73.324%0.23638%0.38CS..G310 helixtrans-61.7-17.7176.4-68.1176.2000113.7R422 Y424 F428 A429 Y485R422-L426 HydrophobicContact CG-CD1 4.22Å; R422-L426 HydrophobicContact CG-CG 4.36Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 2.77Å; R422-L426 VanDerWaalsContact O-N 3.14Å; Y424-L426 VanDerWaalsContact C-N 3.33Å; Y424-L426 PolarHBondContact O-N 2.97Å; L426-F428 PolarHBondContact O-N 2.86Å; L426-A429 VanDerWaalsContact O-CB 3.24Å; L426-A429 WeakPolarHBondContact O-CB 3.12Å; L426-A429 PolarHBondContact O-N 3.32Å; L426-Y485 HydrophobicContact CD2-CD1 4.49Å; L426-Y485 HydrophobicContact CD2-CE1 4.18Å
427K81.1Confident79.9Confident127 Ų12769.6 Ų69.655%0.55236%0.361SS*.G310 helixtrans-64.9-25.2172-63.1175.4-175.61760113Y424 F425Y424-K427 WeakPolarHBondContact O-CB 3.15Å; Y424-K427 WeakPolarHBondContact O-CG 3.44Å; Y424-K427 PolarHBondContact O-N 3.38Å; F425-K427 PolarHBondContact O-N 2.93Å; F425-K427 VanDerWaalsContact O-N 3.09Å
428F86.6Confident82.7Confident70 Ų7062.6 Ų62.631%0.30733%0.329SS..G310 helixtrans-105.614.3179.4-50.8-74.7000112Y424 F425 L426 Y430 T483 Y485Y424-F428 HydrophobicContact CD1-CE2 4.49Å; Y424-F428 AromaticContact CE1-CE2 3.95Å; Y424-F428 HydrophobicContact CE1-CE2 3.95Å; Y424-F428 HydrophobicContact CE2-CE2 4.29Å; Y424-F428 AromaticContact CZ-CE2 3.83Å; F425-F428 PolarHBondContact O-N 3.19Å; L426-F428 PolarHBondContact O-N 2.86Å; F428-Y430 PolarHBondContact O-N 3.41Å; F428-T483 HydrophobicContact CB-CG2 4.27Å; F428-T483 HydrophobicContact CD1-CG2 4.31Å; F428-T483 HydrophobicContact CD2-CG2 4.43Å; F428-T483 HydrophobicContact CG-CG2 4.08Å; F428-Y485 PolarHBondContact O-N 3.09Å
429A85.3Confident85.4Confident39 Ų3958.2 Ų58.232%0.32230%0.298SS..BIsolated β-bridgetrans-56.5129.3-178.200000111.4L426 Y485L426-A429 VanDerWaalsContact O-CB 3.24Å; L426-A429 WeakPolarHBondContact O-CB 3.12Å; L426-A429 PolarHBondContact O-N 3.32Å; A429-Y485 CarbonylContact C-O 3.59Å; A429-Y485 VanDerWaalsContact CA-O 3.25Å; A429-Y485 WeakPolarHBondContact CA-O 3.1Å
430Y88.6Confident87.4Confident64 Ų6451 Ų5125%0.25126%0.264SS..  trans-116.6128.8178.1-178.9-107.2000109.4F428 V432 G477 L479 Y484 Y485 P613F428-Y430 PolarHBondContact O-N 3.41Å; Y430-V432 HydrophobicContact CD1-CG2 3.58Å; Y430-V432 HydrophobicContact CE1-CG2 3.85Å; Y430-V432 PolarHBondContact O-N 3.38Å; Y430-G477 VanDerWaalsContact OH-CA 3.25Å; Y430-G477 WeakPolarHBondContact OH-CA 3.15Å; Y430-G477 PolarHBondContact OH-O 2.88Å; Y430-L479 HydrophobicContact CD1-CD2 4.03Å; Y430-L479 HydrophobicContact CD2-CD2 4.36Å; Y430-L479 HydrophobicContact CE1-CD2 3.72Å; Y430-L479 HydrophobicContact CE2-CD2 4.07Å; Y430-L479 HydrophobicContact CG-CD2 4.33Å; Y430-Y484 AromaticContact CD2-CD1 3.9Å; Y430-Y484 HydrophobicContact CD2-CD1 3.9Å; Y430-Y484 HydrophobicContact CD2-CE1 4.27Å; Y430-Y484 HydrophobicContact CG-CD1 4.06Å; Y430-Y485 PolarHBondContact N-O 2.98Å; Y430-P613 HydrophobicContact CE1-CG 4.26Å
431I86.5Confident88.8Confident96 Ų9654.3 Ų54.349%0.49227%0.274SS..  trans-86.6107.3-178.9-63.4176.5000107.4L637I431-L637 HydrophobicContact CD1-CD1 4.4Å
432V92.1Very high89.7Confident2 Ų252.7 Ų52.71%0.01226%0.258CS..PPolyproline II helixtrans-91.4117.7178.9-176.20000109.6Y430 K449 W486 P613 F615 I626Y430-V432 HydrophobicContact CD1-CG2 3.58Å; Y430-V432 HydrophobicContact CE1-CG2 3.85Å; Y430-V432 PolarHBondContact O-N 3.38Å; V432-K449 WeakPolarHBondContact O-CD 3.49Å; V432-K449 WeakPolarHBondContact O-CE 3.39Å; V432-K449 PolarHBondContact O-NZ 3.47Å; V432-W486 HydrophobicContact CG2-CB 3.88Å; V432-W486 HydrophobicContact CG2-CD2 4.15Å; V432-W486 HydrophobicContact CG2-CG 3.75Å; V432-P613 HydrophobicContact CG1-CB 3.81Å; V432-P613 HydrophobicContact CG1-CG 3.92Å; V432-P613 HydrophobicContact CG2-CB 4.14Å; V432-P613 HydrophobicContact CG2-CG 3.79Å; V432-F615 HydrophobicContact CG1-CE2 4.01Å; V432-F615 HydrophobicContact CG1-CZ 4Å; V432-I626 HydrophobicContact CB-CD1 3.86Å; V432-I626 HydrophobicContact CB-CG2 4.1Å; V432-I626 HydrophobicContact CG1-CD1 3.65Å
433D92.1Very high90.4Very high48 Ų4850.3 Ų50.326%0.25725%0.249SC..PPolyproline II helixtrans-99.5133.9167.4-71.7-62.8000109.5T448 K449 G475 E476D433-T448 CarbonylContact C-O 3.55Å; D433-T448 WeakPolarHBondContact CA-O 3.4Å; D433-T448 WeakPolarHBondContact OD1-CB 3.48Å; D433-T448 PolarHBondContact OD1-OG1 3.19Å; D433-K449 VanDerWaalsContact OD1-CE 3.27Å; D433-K449 WeakPolarHBondContact OD1-CE 3.47Å; D433-K449 IonicContact OD1-NZ 3.62Å; D433-K449 PolarHBondContact OD1-NZ 3.18Å; D433-K449 IonicContact OD2-NZ 3.03Å; D433-K449 PolarHBondContact OD2-NZ 2.87Å; D433-G475 CarbonylContact O-C 3.6Å; D433-G475 VanDerWaalsContact O-CA 3.23Å; D433-G475 WeakPolarHBondContact O-CA 3.48Å; D433-E476 PolarHBondContact O-N 2.93Å
434L95.4Very high91Very high10 Ų1048.4 Ų48.45%0.05224%0.236CC..BIsolated β-bridgetrans-74.7130.8179.3-67.4175.4000110.5L445 T448 V451 V473 F615 I626L434-L445 HydrophobicContact CB-CD2 4.31Å; L434-L445 HydrophobicContact CD1-CD2 3.99Å; L434-T448 PolarHBondContact N-O 3.35Å; L434-V451 HydrophobicContact CD1-CB 3.8Å; L434-V451 HydrophobicContact CD1-CG1 3.8Å; L434-V473 HydrophobicContact CB-CG2 4.37Å; L434-V473 HydrophobicContact CD2-CG1 3.99Å; L434-V473 HydrophobicContact CD2-CG2 4.27Å; L434-F615 HydrophobicContact CD2-CD2 3.48Å; L434-F615 VanDerWaalsContact CD2-CD2 3.48Å; L434-F615 HydrophobicContact CD2-CE2 3.54Å; L434-F615 HydrophobicContact CD2-CG 4.45Å; L434-I626 HydrophobicContact CD1-CD1 4.48Å; L434-I626 HydrophobicContact CD2-CD1 3.72Å; L434-I626 HydrophobicContact CG-CD1 3.83Å
435D95Very high91.5Very high24 Ų2444.7 Ų44.713%0.12822%0.224CC..  trans-88.5107.5-177.5-174.9-15.6000110.9D437 T438 A439 V473 L474 E476D435-D437 PolarHBondContact O-N 3.47Å; D435-D437 WeakPolarHBondContact OD1-CB 3.3Å; D435-D437 PolarHBondContact OD1-N 3.49Å; D435-T438 HydrophobicContact CB-CG2 4.12Å; D435-T438 PolarHBondContact O-N 2.95Å; D435-T438 VanDerWaalsContact O-N 3.15Å; D435-T438 PolarHBondContact O-OG1 2.92Å; D435-T438 WeakPolarHBondContact OD2-CG2 3.43Å; D435-A439 PolarHBondContact O-N 3.45Å; D435-V473 WeakPolarHBondContact O-CG2 3.45Å; D435-L474 WeakPolarHBondContact CB-O 3.16Å; D435-L474 PolarHBondContact N-O 3.29Å; D435-E476 HydrophobicContact CB-CB 4.36Å
436S94.6Very high91.7Very high57 Ų5748.5 Ų48.540%0.39924%0.241SC..THydrogen-bonded Turntrans-63.2-21.7179.157.40000114.2T438 R466S436-T438 VanDerWaalsContact C-N 3.28Å; S436-R466 PolarHBondContact O-NH1 3.47Å; S436-R466 PolarHBondContact O-NH2 2.98Å
437D94.2Very high91.8Very high74 Ų7449.6 Ų49.640%0.39626%0.263SS..THydrogen-bonded Turntrans-77.5-20.7179.4-67.2-15.8000111.7D435 S463 R466D435-D437 PolarHBondContact O-N 3.47Å; D435-D437 WeakPolarHBondContact OD1-CB 3.3Å; D435-D437 PolarHBondContact OD1-N 3.49Å; D437-S463 WeakPolarHBondContact O-CB 3.27Å; D437-S463 PolarHBondContact O-OG 3.1Å; D437-R466 VanDerWaalsContact O-CA 3.3Å; D437-R466 WeakPolarHBondContact O-CA 3.4Å; D437-R466 WeakPolarHBondContact O-CB 3.41Å; D437-R466 PolarHBondContact O-N 3.32Å
438T95.5Very high92.1Very high3 Ų347 Ų472%0.01826%0.258CS..THydrogen-bonded Turntrans-92.5-25.7176.867.90000113.5D435 S436 D440 F467 L474D435-T438 HydrophobicContact CB-CG2 4.12Å; D435-T438 PolarHBondContact O-N 2.95Å; D435-T438 VanDerWaalsContact O-N 3.15Å; D435-T438 PolarHBondContact O-OG1 2.92Å; D435-T438 WeakPolarHBondContact OD2-CG2 3.43Å; S436-T438 VanDerWaalsContact C-N 3.28Å; T438-D440 PolarHBondContact O-N 3.07Å; T438-F467 WeakPolarHBondContact O-CD2 3.48Å; T438-F467 PolarHBondContact O-N 3.04Å; T438-L474 HydrophobicContact CG2-CB 4.19Å; T438-L474 HydrophobicContact CG2-CD1 4.3Å; T438-L474 HydrophobicContact CG2-CG 4.35Å; T438-L474 PolarHBondContact OG1-N 3.3Å
439A96Very high92.2Very high0 Ų045.6 Ų45.60%025%0.251CS..  trans-60.3129.4-171.300000113.5D435 L445 Y460 R466 V473D435-A439 PolarHBondContact O-N 3.45Å; A439-L445 HydrophobicContact CB-CD1 4.2Å; A439-L445 HydrophobicContact CB-CD2 4.46Å; A439-L445 HydrophobicContact CB-CG 4.43Å; A439-Y460 HydrophobicContact CB-CE2 4.3Å; A439-R466 WeakPolarHBondContact O-CG 3.49Å; A439-R466 PolarHBondContact O-NH1 3.48Å; A439-V473 HydrophobicContact CB-CB 4.14Å; A439-V473 HydrophobicContact CB-CG2 3.85Å
440D95.7Very high92.6Very high4 Ų444 Ų442%0.02124%0.239CC..  trans-61.8153.4171.9175.3-97000112.4T438 F442 L443 F467 C470 Q472T438-D440 PolarHBondContact O-N 3.07Å; D440-F442 PolarHBondContact O-N 3.35Å; D440-F442 VanDerWaalsContact O-N 3.11Å; D440-F442 WeakPolarHBondContact OD1-CB 3.48Å; D440-F442 WeakPolarHBondContact OD1-CD2 3.26Å; D440-F442 PolarHBondContact OD1-N 3.04Å; D440-L443 HydrophobicContact CB-CG 4.37Å; D440-L443 WeakPolarHBondContact O-CB 3.41Å; D440-L443 PolarHBondContact O-N 3.28Å; D440-F467 WeakPolarHBondContact CA-O 3.45Å; D440-F467 HydrophobicContact CB-CB 4.28Å; D440-C470 VanDerWaalsContact CB-O 3.27Å; D440-C470 WeakPolarHBondContact CB-O 3.39Å; D440-Q472 PolarHBondContact N-O 2.83Å; D440-Q472 VanDerWaalsContact N-O 3.1Å
441K93.6Very high92.9Very high95 Ų9541 Ų4141%0.41323%0.227SC..THydrogen-bonded Turntrans-58.5-24-178.667.3-169.8175.8-168.80113.9L443 P457 I458K441-L443 VanDerWaalsContact C-N 3.31Å; K441-P457 HydrophobicContact CB-CB 4.22Å; K441-P457 HydrophobicContact CD-CB 4.14Å; K441-P457 HydrophobicContact CG-CB 4.08Å; K441-P457 CarbonylContact O-C 3.51Å; K441-P457 WeakPolarHBondContact O-CA 3.3Å; K441-I458 WeakPolarHBondContact O-CB 3.49Å; K441-I458 PolarHBondContact O-N 3.49Å
442F95.5Very high93.3Very high57 Ų5739.8 Ų39.825%0.2522%0.218CC..THydrogen-bonded Turntrans-90.48.4177.5-62.1-69.2000113.6D440 R453 V454 P457 E471D440-F442 PolarHBondContact O-N 3.35Å; D440-F442 VanDerWaalsContact O-N 3.11Å; D440-F442 WeakPolarHBondContact OD1-CB 3.48Å; D440-F442 WeakPolarHBondContact OD1-CD2 3.26Å; D440-F442 PolarHBondContact OD1-N 3.04Å; F442-R453 CarbonylContact O-C 3.51Å; F442-R453 WeakPolarHBondContact O-CA 3.35Å; F442-R453 WeakPolarHBondContact O-CG 3.48Å; F442-V454 WeakPolarHBondContact O-CG2 3.35Å; F442-V454 PolarHBondContact O-N 2.85Å; F442-P457 HydrophobicContact CD1-CB 4.3Å; F442-P457 HydrophobicContact CE1-CB 3.91Å; F442-P457 HydrophobicContact CE1-CG 4.34Å; F442-P457 HydrophobicContact CZ-CB 4.42Å; F442-E471 HydrophobicContact CB-CG 4.1Å
443L96.5Very high93.5Very high0 Ų041.9 Ų41.90%023%0.226CC..EExtended strand (participates in β ladder)trans-106.6120.7176.3-62.8-171.2000111.6D440 K441 V451 R453 I458 Y460 E471 Q472 V473 L617D440-L443 HydrophobicContact CB-CG 4.37Å; D440-L443 WeakPolarHBondContact O-CB 3.41Å; D440-L443 PolarHBondContact O-N 3.28Å; K441-L443 VanDerWaalsContact C-N 3.31Å; L443-V451 HydrophobicContact CB-CG2 3.91Å; L443-V451 HydrophobicContact CD1-CG2 4.13Å; L443-V451 HydrophobicContact CD2-CG2 4.24Å; L443-V451 HydrophobicContact CG-CG2 4.34Å; L443-R453 HydrophobicContact CD2-CB 4.32Å; L443-R453 HydrophobicContact CD2-CG 4.41Å; L443-I458 WeakPolarHBondContact O-CD1 3.5Å; L443-Y460 VanDerWaalsContact O-CE2 3.25Å; L443-Y460 WeakPolarHBondContact O-CE2 3.48Å; L443-Y460 PolarHBondContact O-OH 2.96Å; L443-E471 HydrophobicContact CD2-CB 3.97Å; L443-E471 HydrophobicContact CG-CB 4.38Å; L443-Q472 VanDerWaalsContact CD1-C 3.44Å; L443-Q472 WeakPolarHBondContact CD1-O 3.43Å; L443-V473 HydrophobicContact CD1-CB 3.91Å; L443-V473 HydrophobicContact CD1-CG1 3.98Å; L443-L617 HydrophobicContact CD1-CD1 4.14Å; L443-L617 HydrophobicContact CD2-CB 3.86Å; L443-L617 HydrophobicContact CD2-CD1 3.86Å; L443-L617 HydrophobicContact CD2-CD2 4.07Å; L443-L617 HydrophobicContact CD2-CG 4.14Å
444Q95.3Very high93.4Very high79 Ų7941 Ų4137%0.36922%0.222SC..EExtended strand (participates in β ladder)trans-91.7119.5170.1-167.3169.728.200110.5F446 V451 K452 V454 I458Q444-F446 HydrophobicContact CB-CZ 4.44Å; Q444-F446 HydrophobicContact CG-CE1 4.03Å; Q444-F446 HydrophobicContact CG-CZ 4.14Å; Q444-V451 VanDerWaalsContact O-CA 3.31Å; Q444-V451 WeakPolarHBondContact O-CA 3.32Å; Q444-K452 PolarHBondContact N-O 3.05Å; Q444-K452 PolarHBondContact O-N 3.39Å; Q444-V454 HydrophobicContact CB-CG1 3.8Å; Q444-V454 HydrophobicContact CB-CG2 4.39Å; Q444-I458 HydrophobicContact CB-CD1 3.46Å; Q444-I458 VanDerWaalsContact CB-CD1 3.46Å; Q444-I458 HydrophobicContact CG-CD1 3.74Å
445L93.8Very high92.8Very high32 Ų3247 Ų4717%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-85.1135.9172.6-56.6-176.3000111.1L434 A439 G450 V451 Y460 V473L434-L445 HydrophobicContact CB-CD2 4.31Å; L434-L445 HydrophobicContact CD1-CD2 3.99Å; A439-L445 HydrophobicContact CB-CD1 4.2Å; A439-L445 HydrophobicContact CB-CD2 4.46Å; A439-L445 HydrophobicContact CB-CG 4.43Å; L445-G450 CarbonylContact C-O 3.6Å; L445-G450 WeakPolarHBondContact CA-O 3.44Å; L445-V451 HydrophobicContact CD2-CB 3.72Å; L445-V451 HydrophobicContact CD2-CG2 3.67Å; L445-Y460 PolarHBondContact N-OH 3.02Å; L445-V473 HydrophobicContact CD2-CG2 4.34Å
446F88.6Confident92.2Very high93 Ų9350.4 Ų50.441%0.40828%0.278SS..EExtended strand (participates in β ladder)trans-111.498.5173.2-58-67.8000109.5Q444 G450 K452Q444-F446 HydrophobicContact CB-CZ 4.44Å; Q444-F446 HydrophobicContact CG-CE1 4.03Å; Q444-F446 HydrophobicContact CG-CZ 4.14Å; F446-G450 PolarHBondContact N-O 3.4Å; F446-G450 PolarHBondContact O-N 2.91Å; F446-G450 VanDerWaalsContact O-N 3.15Å; F446-K452 HydrophobicContact CD2-CB 4.44Å; F446-K452 HydrophobicContact CE2-CB 3.48Å; F446-K452 VanDerWaalsContact CE2-CB 3.48Å; F446-K452 HydrophobicContact CE2-CD 4.37Å; F446-K452 HydrophobicContact CZ-CB 4.16Å
447G86.3Confident92Very high68 Ų6851.8 Ų51.870%0.70129%0.286SS*.THydrogen-bonded Turntrans61.4-141.6-168.400000110.7
448T86.5Confident91.9Very high73 Ų7350.4 Ų50.445%0.44828%0.278SS..THydrogen-bonded Turntrans-101.20.3179.164.30000113.7D433 L434D433-T448 CarbonylContact C-O 3.55Å; D433-T448 WeakPolarHBondContact CA-O 3.4Å; D433-T448 WeakPolarHBondContact OD1-CB 3.48Å; D433-T448 PolarHBondContact OD1-OG1 3.19Å; L434-T448 PolarHBondContact N-O 3.35Å
449K90.1Very high91.5Very high40 Ų4058 Ų5817%0.17432%0.318CS..THydrogen-bonded Turntrans-123.9-19.4-169.4-58.1-57.4-171.3-157.40115.1V432 D433 Q625 I626V432-K449 WeakPolarHBondContact O-CD 3.49Å; V432-K449 WeakPolarHBondContact O-CE 3.39Å; V432-K449 PolarHBondContact O-NZ 3.47Å; D433-K449 VanDerWaalsContact OD1-CE 3.27Å; D433-K449 WeakPolarHBondContact OD1-CE 3.47Å; D433-K449 IonicContact OD1-NZ 3.62Å; D433-K449 PolarHBondContact OD1-NZ 3.18Å; D433-K449 IonicContact OD2-NZ 3.03Å; D433-K449 PolarHBondContact OD2-NZ 2.87Å; K449-Q625 CarbonylContact O-C 3.48Å; K449-Q625 WeakPolarHBondContact O-CA 3.49Å; K449-I626 HydrophobicContact CD-CB 4.49Å; K449-I626 PolarHBondContact O-N 3.19Å
450G92.3Very high91.2Very high6 Ų659.9 Ų59.96%0.06233%0.326CS..EExtended strand (participates in β ladder)trans-111.2146.5-17800000111.8L445 F446L445-G450 CarbonylContact C-O 3.6Å; L445-G450 WeakPolarHBondContact CA-O 3.44Å; F446-G450 PolarHBondContact N-O 3.4Å; F446-G450 PolarHBondContact O-N 2.91Å; F446-G450 VanDerWaalsContact O-N 3.15Å
451V95.8Very high90.9Very high0 Ų064.1 Ų64.10%035%0.353CS..EExtended strand (participates in β ladder)trans-147137.217255.40000110.9L434 L443 Q444 L445 V473 L617 H623 L624L434-V451 HydrophobicContact CD1-CB 3.8Å; L434-V451 HydrophobicContact CD1-CG1 3.8Å; L443-V451 HydrophobicContact CB-CG2 3.91Å; L443-V451 HydrophobicContact CD1-CG2 4.13Å; L443-V451 HydrophobicContact CD2-CG2 4.24Å; L443-V451 HydrophobicContact CG-CG2 4.34Å; Q444-V451 VanDerWaalsContact O-CA 3.31Å; Q444-V451 WeakPolarHBondContact O-CA 3.32Å; L445-V451 HydrophobicContact CD2-CB 3.72Å; L445-V451 HydrophobicContact CD2-CG2 3.67Å; V451-V473 HydrophobicContact CG1-CG1 4.28Å; V451-V473 HydrophobicContact CG2-CG1 4.31Å; V451-L617 HydrophobicContact CG1-CD1 3.9Å; V451-L617 HydrophobicContact CG1-CD2 4.28Å; V451-L617 HydrophobicContact CG2-CD1 3.96Å; V451-L617 HydrophobicContact CG2-CD2 4.02Å; V451-H623 PolarHBondContact O-CD2 2.99Å; V451-L624 HydrophobicContact CG1-CD1 3.48Å; V451-L624 VanDerWaalsContact CG1-CD1 3.48Å; V451-L624 HydrophobicContact CG1-CD2 4.28Å; V451-L624 HydrophobicContact CG1-CG 3.65Å; V451-L624 PolarHBondContact N-O 3.43Å; V451-L624 PolarHBondContact O-N 3.43Å; V451-L624 VanDerWaalsContact O-O 3.1Å
452K95Very high90.6Very high70 Ų7068.4 Ų68.430%0.30438%0.375SS..EExtended strand (participates in β ladder)trans-134.1146176.4176.7174.6-179.6173.10110.5Q444 F446 A622 H623Q444-K452 PolarHBondContact N-O 3.05Å; Q444-K452 PolarHBondContact O-N 3.39Å; F446-K452 HydrophobicContact CD2-CB 4.44Å; F446-K452 HydrophobicContact CE2-CB 3.48Å; F446-K452 VanDerWaalsContact CE2-CB 3.48Å; F446-K452 HydrophobicContact CE2-CD 4.37Å; F446-K452 HydrophobicContact CZ-CB 4.16Å; K452-A622 WeakPolarHBondContact CA-O 3.31Å; K452-A622 WeakPolarHBondContact CG-O 3.42Å; K452-H623 HydrophobicContact CB-CB 4.27Å; K452-H623 HydrophobicContact CD-CB 4.39Å; K452-H623 HydrophobicContact CG-CB 4.12Å
453R94.8Very high90.5Very high46 Ų4666.5 Ų66.517%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-78.4139.4172.2-164.3178.8176-169.45.9111.2F442 L443 E471 L617 E618 S619 A622F442-R453 CarbonylContact O-C 3.51Å; F442-R453 WeakPolarHBondContact O-CA 3.35Å; F442-R453 WeakPolarHBondContact O-CG 3.48Å; L443-R453 HydrophobicContact CD2-CB 4.32Å; L443-R453 HydrophobicContact CD2-CG 4.41Å; R453-E471 IonicContact CZ-OE1 2.87Å; R453-E471 IonicContact NE-OE1 2.77Å; R453-E471 IonicContact NH2-OE1 2.91Å; R453-E471 PolarHBondContact NH2-OE1 3.31Å; R453-E471 IonicContact NH2-OE2 3.82Å; R453-L617 HydrophobicContact CB-CB 4.3Å; R453-L617 HydrophobicContact CB-CD2 4.43Å; R453-E618 VanDerWaalsContact NH1-C 3.31Å; R453-E618 PolarHBondContact NH1-O 2.93Å; R453-S619 WeakPolarHBondContact CD-O 3.47Å; R453-S619 PolarHBondContact NH1-O 3.27Å; R453-A622 PolarHBondContact N-O 3.1Å
454V89.8Confident90.2Very high29 Ų2972 Ų7218%0.17640%0.404CS..  trans-126.6151.1179.5-680000110.7F442 Q444 C456 I458F442-V454 WeakPolarHBondContact O-CG2 3.35Å; F442-V454 PolarHBondContact O-N 2.85Å; Q444-V454 HydrophobicContact CB-CG1 3.8Å; Q444-V454 HydrophobicContact CB-CG2 4.39Å; V454-C456 VanDerWaalsContact CG2-O 3.26Å; V454-C456 WeakPolarHBondContact CG2-O 3.3Å; V454-I458 HydrophobicContact CG2-CD1 3.84Å; V454-I458 HydrophobicContact CG2-CG1 4.04Å
455L83.8Confident90Very high137 Ų13771.4 Ų71.472%0.71741%0.407SS*.SBendtrans-78-27.8-180-72173.9000113V620L455-V620 HydrophobicContact CD1-CG1 4.38Å; L455-V620 HydrophobicContact CD2-CG1 3.42Å; L455-V620 VanDerWaalsContact CD2-CG1 3.42Å; L455-V620 HydrophobicContact CG-CG1 3.86Å
456C83.3Confident90Very high96 Ų9670.8 Ų70.865%0.64940%0.402SS*.SBendtrans-95.7129.9178.6-62.80000109.6V454 I458V454-C456 VanDerWaalsContact CG2-O 3.26Å; V454-C456 WeakPolarHBondContact CG2-O 3.3Å; C456-I458 PolarHBondContact O-N 3.49Å
457P89.3Confident90.3Very high85 Ų8566.7 Ų66.755%0.55238%0.384SS*.PPolyproline II helixtrans-65.5135.4179.327.7-33.3000110.8K441 F442K441-P457 HydrophobicContact CB-CB 4.22Å; K441-P457 HydrophobicContact CD-CB 4.14Å; K441-P457 HydrophobicContact CG-CB 4.08Å; K441-P457 CarbonylContact O-C 3.51Å; K441-P457 WeakPolarHBondContact O-CA 3.3Å; F442-P457 HydrophobicContact CD1-CB 4.3Å; F442-P457 HydrophobicContact CE1-CB 3.91Å; F442-P457 HydrophobicContact CE1-CG 4.34Å; F442-P457 HydrophobicContact CZ-CB 4.42Å
458I91.4Very high90.4Very high46 Ų4666 Ų6624%0.23637%0.366CS..PPolyproline II helixtrans-88.6133.1175.6-63.5175.6000108.6K441 L443 Q444 V454 C456 Y460K441-I458 WeakPolarHBondContact O-CB 3.49Å; K441-I458 PolarHBondContact O-N 3.49Å; L443-I458 WeakPolarHBondContact O-CD1 3.5Å; Q444-I458 HydrophobicContact CB-CD1 3.46Å; Q444-I458 VanDerWaalsContact CB-CD1 3.46Å; Q444-I458 HydrophobicContact CG-CD1 3.74Å; V454-I458 HydrophobicContact CG2-CD1 3.84Å; V454-I458 HydrophobicContact CG2-CG1 4.04Å; C456-I458 PolarHBondContact O-N 3.49Å; I458-Y460 HydrophobicContact CB-CD2 4.19Å; I458-Y460 HydrophobicContact CB-CE2 3.84Å; I458-Y460 HydrophobicContact CG2-CD1 4.31Å; I458-Y460 HydrophobicContact CG2-CD2 3.94Å; I458-Y460 HydrophobicContact CG2-CE1 4.06Å; I458-Y460 HydrophobicContact CG2-CE2 3.68Å; I458-Y460 HydrophobicContact CG2-CG 4.24Å; I458-Y460 PolarHBondContact O-N 3.49Å; I458-Y460 VanDerWaalsContact O-N 3.08Å
459N88.1Confident90.5Very high162 Ų16267.1 Ų67.187%0.86637%0.366SS*.  trans-83.481178.6-167.127.4000110.4
460Y89.6Confident90.5Very high39 Ų3965.3 Ų65.315%0.15336%0.359CS..PPolyproline II helixtrans-77.6154.3170.7-70.6-68.9000111.5A439 L443 L445 I458A439-Y460 HydrophobicContact CB-CE2 4.3Å; L443-Y460 VanDerWaalsContact O-CE2 3.25Å; L443-Y460 WeakPolarHBondContact O-CE2 3.48Å; L443-Y460 PolarHBondContact O-OH 2.96Å; L445-Y460 PolarHBondContact N-OH 3.02Å; I458-Y460 HydrophobicContact CB-CD2 4.19Å; I458-Y460 HydrophobicContact CB-CE2 3.84Å; I458-Y460 HydrophobicContact CG2-CD1 4.31Å; I458-Y460 HydrophobicContact CG2-CD2 3.94Å; I458-Y460 HydrophobicContact CG2-CE1 4.06Å; I458-Y460 HydrophobicContact CG2-CE2 3.68Å; I458-Y460 HydrophobicContact CG2-CG 4.24Å; I458-Y460 PolarHBondContact O-N 3.49Å; I458-Y460 VanDerWaalsContact O-N 3.08Å
461P90Very high90.6Very high93 Ų9366.2 Ų66.260%0.60436%0.361SS*.PPolyproline II helixtrans-56.3145.4170.6-23.534.1000112.1S463 R466P461-S463 PolarHBondContact O-N 3.23Å; P461-R466 PolarHBondContact O-NE 2.92Å; P461-R466 PolarHBondContact O-NH2 3.37Å
462E86.8Confident90.6Very high185 Ų18566.4 Ų66.486%0.86436%0.362SS*.PPolyproline II helixtrans-60.1128.1175.4-69.2-61.9156.700110.5
463S92.6Very high90.7Very high18 Ų1863 Ų6313%0.12635%0.347CS..  trans-142.6134.8179171.80000110.3D437 P461 T465 R466D437-S463 WeakPolarHBondContact O-CB 3.27Å; D437-S463 PolarHBondContact O-OG 3.1Å; P461-S463 PolarHBondContact O-N 3.23Å; S463-T465 PolarHBondContact O-N 3.03Å; S463-T465 PolarHBondContact OG-N 3.11Å; S463-T465 PolarHBondContact OG-OG1 3.38Å; S463-R466 WeakPolarHBondContact O-CB 3.48Å; S463-R466 PolarHBondContact O-N 2.89Å
464P90.3Very high90.8Very high114 Ų11461.5 Ų61.574%0.7434%0.342SS*.THydrogen-bonded Turntrans-67-19.5176.729.2-35.3000112.9P506P464-P506 WeakPolarHBondContact O-CG 3.36Å
465T92.6Very high91Very high68 Ų6860.1 Ų60.142%0.41733%0.334SS..THydrogen-bonded Turntrans-90.3-0.6179.856.90000113.3S463S463-T465 PolarHBondContact O-N 3.03Å; S463-T465 PolarHBondContact OG-N 3.11Å; S463-T465 PolarHBondContact OG-OG1 3.38Å
466R94.1Very high91.4Very high19 Ų1959.6 Ų59.67%0.07233%0.328CS..  trans-74.6130.2-177.2-169.6172.7-57.4-62.1-10.7112.1S436 D437 A439 P461 S463 T468 P506 Q507S436-R466 PolarHBondContact O-NH1 3.47Å; S436-R466 PolarHBondContact O-NH2 2.98Å; D437-R466 VanDerWaalsContact O-CA 3.3Å; D437-R466 WeakPolarHBondContact O-CA 3.4Å; D437-R466 WeakPolarHBondContact O-CB 3.41Å; D437-R466 PolarHBondContact O-N 3.32Å; A439-R466 WeakPolarHBondContact O-CG 3.49Å; A439-R466 PolarHBondContact O-NH1 3.48Å; P461-R466 PolarHBondContact O-NE 2.92Å; P461-R466 PolarHBondContact O-NH2 3.37Å; S463-R466 WeakPolarHBondContact O-CB 3.48Å; S463-R466 PolarHBondContact O-N 2.89Å; R466-T468 PolarHBondContact O-N 2.86Å; R466-P506 WeakPolarHBondContact O-CB 3.46Å; R466-Q507 PolarHBondContact O-NE2 2.93Å
467F94.1Very high91.5Very high6 Ų656.2 Ų56.23%0.02631%0.309CS..  trans-68131.1168-65.7-72.5000110.4T438 D440 C470 Q472 L474 M500 F504 P506T438-F467 WeakPolarHBondContact O-CD2 3.48Å; T438-F467 PolarHBondContact O-N 3.04Å; D440-F467 WeakPolarHBondContact CA-O 3.45Å; D440-F467 HydrophobicContact CB-CB 4.28Å; F467-C470 WeakPolarHBondContact CB-O 3.41Å; F467-Q472 HydrophobicContact CD1-CB 4.42Å; F467-Q472 HydrophobicContact CD2-CB 3.56Å; F467-Q472 WeakPolarHBondContact CD2-O 3.42Å; F467-Q472 HydrophobicContact CE2-CB 3.76Å; F467-Q472 HydrophobicContact CG-CB 3.92Å; F467-Q472 HydrophobicContact CZ-CB 4.3Å; F467-L474 HydrophobicContact CE2-CD1 4.45Å; F467-L474 HydrophobicContact CE2-CD2 4.16Å; F467-L474 HydrophobicContact CE2-CG 3.9Å; F467-L474 HydrophobicContact CZ-CD1 4.39Å; F467-L474 HydrophobicContact CZ-CD2 4.21Å; F467-L474 HydrophobicContact CZ-CG 4.19Å; F467-M500 HydrophobicContact CE1-SD 4.17Å; F467-M500 HydrophobicContact CZ-CE 4.48Å; F467-M500 HydrophobicContact CZ-SD 3.74Å; F467-F504 HydrophobicContact CE1-CD1 4.26Å; F467-F504 HydrophobicContact CE1-CE1 4.34Å; F467-P506 HydrophobicContact CD1-CB 3.58Å; F467-P506 HydrophobicContact CE1-CB 3.82Å; F467-P506 HydrophobicContact CG-CB 4.14Å
468T89.1Confident91.6Very high53 Ų5353 Ų5333%0.32529%0.29SS..SBendtrans-113-18.9-177.651.70000113R466 Q507R466-T468 PolarHBondContact O-N 2.86Å; T468-Q507 PolarHBondContact OG1-OE1 3.28Å
469H86.9Confident91.7Very high98 Ų9850.9 Ų50.945%0.45428%0.279SS..SBendtrans-114.1-23.6-173.3-64.8-50000113.7E508 Y510H469-E508 PolarHBondContact CD2-O 3.27Å; H469-Y510 WeakPolarHBondContact O-CD2 3.46Å
470C90.2Very high91.8Very high2 Ų245.8 Ų45.81%0.01425%0.252CS..SBendtrans-128.3139.6-176.6-57.10000110.2D440 F467 Q472 Y510 F616D440-C470 VanDerWaalsContact CB-O 3.27Å; D440-C470 WeakPolarHBondContact CB-O 3.39Å; F467-C470 WeakPolarHBondContact CB-O 3.41Å; C470-Q472 HydrophobicContact CB-CG 3.67Å; C470-Q472 PolarHBondContact O-N 2.91Å; C470-Y510 HydrophobicContact CB-CD2 4.36Å; C470-Y510 VanDerWaalsContact SG-CD2 3.5Å; C470-F616 HydrophobicContact CB-CE2 4.39Å
471E94.5Very high91.7Very high25 Ų2552.9 Ų52.912%0.11728%0.278CS..  trans-72.461.1179.1-60.38916300113F442 L443 R453 F616 L617F442-E471 HydrophobicContact CB-CG 4.1Å; L443-E471 HydrophobicContact CD2-CB 3.97Å; L443-E471 HydrophobicContact CG-CB 4.38Å; R453-E471 IonicContact CZ-OE1 2.87Å; R453-E471 IonicContact NE-OE1 2.77Å; R453-E471 IonicContact NH2-OE1 2.91Å; R453-E471 PolarHBondContact NH2-OE1 3.31Å; R453-E471 IonicContact NH2-OE2 3.82Å; E471-F616 HydrophobicContact CB-CE2 4.23Å; E471-F616 VanDerWaalsContact O-CD2 3.32Å; E471-F616 WeakPolarHBondContact O-CD2 3.35Å; E471-L617 PolarHBondContact O-N 3.27Å
472Q96.1Very high91.6Very high3 Ų350.2 Ų50.21%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-115.4155.2-171.9-61-178.213800112.1D440 L443 F467 C470 G513 L515 F615 F616D440-Q472 PolarHBondContact N-O 2.83Å; D440-Q472 VanDerWaalsContact N-O 3.1Å; L443-Q472 VanDerWaalsContact CD1-C 3.44Å; L443-Q472 WeakPolarHBondContact CD1-O 3.43Å; F467-Q472 HydrophobicContact CD1-CB 4.42Å; F467-Q472 HydrophobicContact CD2-CB 3.56Å; F467-Q472 WeakPolarHBondContact CD2-O 3.42Å; F467-Q472 HydrophobicContact CE2-CB 3.76Å; F467-Q472 HydrophobicContact CG-CB 3.92Å; F467-Q472 HydrophobicContact CZ-CB 4.3Å; C470-Q472 HydrophobicContact CB-CG 3.67Å; C470-Q472 PolarHBondContact O-N 2.91Å; Q472-G513 PolarHBondContact NE2-O 2.95Å; Q472-G513 PolarHBondContact OE1-O 3.04Å; Q472-L515 VanDerWaalsContact OE1-CB 3.31Å; Q472-F615 VanDerWaalsContact CA-O 3.28Å; Q472-F615 WeakPolarHBondContact CA-O 3.32Å; Q472-F616 HydrophobicContact CG-CB 3.84Å; Q472-F616 HydrophobicContact CG-CD2 3.4Å; Q472-F616 HydrophobicContact CG-CE2 4.2Å; Q472-F616 HydrophobicContact CG-CG 3.83Å
473V96.9Very high91.8Very high0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-146.5142.6171.8600000109.5L434 D435 A439 L443 L445 V451 F615L434-V473 HydrophobicContact CB-CG2 4.37Å; L434-V473 HydrophobicContact CD2-CG1 3.99Å; L434-V473 HydrophobicContact CD2-CG2 4.27Å; D435-V473 WeakPolarHBondContact O-CG2 3.45Å; A439-V473 HydrophobicContact CB-CB 4.14Å; A439-V473 HydrophobicContact CB-CG2 3.85Å; L443-V473 HydrophobicContact CD1-CB 3.91Å; L443-V473 HydrophobicContact CD1-CG1 3.98Å; L445-V473 HydrophobicContact CD2-CG2 4.34Å; V451-V473 HydrophobicContact CG1-CG1 4.28Å; V451-V473 HydrophobicContact CG2-CG1 4.31Å; V473-F615 HydrophobicContact CG1-CB 4.09Å; V473-F615 HydrophobicContact CG1-CD2 4.36Å; V473-F615 PolarHBondContact N-O 3.43Å; V473-F615 PolarHBondContact O-N 3.07Å
474L96.9Very high91.8Very high13 Ų1344.7 Ų44.77%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-100.3162.4175.3-57.5-176.6000111.5D435 T438 F467 M500 K612 P613 A614D435-L474 WeakPolarHBondContact CB-O 3.16Å; D435-L474 PolarHBondContact N-O 3.29Å; T438-L474 HydrophobicContact CG2-CB 4.19Å; T438-L474 HydrophobicContact CG2-CD1 4.3Å; T438-L474 HydrophobicContact CG2-CG 4.35Å; T438-L474 PolarHBondContact OG1-N 3.3Å; F467-L474 HydrophobicContact CE2-CD1 4.45Å; F467-L474 HydrophobicContact CE2-CD2 4.16Å; F467-L474 HydrophobicContact CE2-CG 3.9Å; F467-L474 HydrophobicContact CZ-CD1 4.39Å; F467-L474 HydrophobicContact CZ-CD2 4.21Å; F467-L474 HydrophobicContact CZ-CG 4.19Å; L474-M500 HydrophobicContact CD2-CB 4.07Å; L474-M500 HydrophobicContact CD2-SD 4.12Å; L474-K612 HydrophobicContact CB-CB 4.42Å; L474-K612 HydrophobicContact CB-CD 4.37Å; L474-K612 HydrophobicContact CD1-CB 4.46Å; L474-K612 HydrophobicContact CD1-CD 4.05Å; L474-P613 CarbonylContact C-O 3.29Å; L474-P613 WeakPolarHBondContact CA-O 3.21Å; L474-A614 HydrophobicContact CD2-CB 3.5Å; L474-A614 VanDerWaalsContact CD2-CB 3.5Å
475G95.3Very high92Very high0 Ų039.4 Ų39.40%021%0.208CC..BIsolated β-bridgetrans-76.3148.5161.700000111.7D433 K612 P613D433-G475 CarbonylContact O-C 3.6Å; D433-G475 VanDerWaalsContact O-CA 3.23Å; D433-G475 WeakPolarHBondContact O-CA 3.48Å; G475-K612 WeakPolarHBondContact O-CD 3.27Å; G475-P613 PolarHBondContact N-O 3.1Å
476E90.4Very high92Very high126 Ų12636.4 Ų36.459%0.58919%0.189SC*.SBendtrans-64.1-46.6-176.9-169.8177.8173.400112.3D433 D435 K612D433-E476 PolarHBondContact O-N 2.93Å; D435-E476 HydrophobicContact CB-CB 4.36Å; E476-K612 VanDerWaalsContact O-CE 3.32Å; E476-K612 WeakPolarHBondContact O-CE 3.46Å; E476-K612 PolarHBondContact O-NZ 2.92Å
477G87.4Confident92Very high25 Ų2536.2 Ų36.226%0.25819%0.188SC..SBendtrans-87.3131.5-175.200000114.3Y430Y430-G477 VanDerWaalsContact OH-CA 3.25Å; Y430-G477 WeakPolarHBondContact OH-CA 3.15Å; Y430-G477 PolarHBondContact OH-O 2.88Å
478A90.6Very high92Very high19 Ų1935.9 Ų35.916%0.15719%0.187CC..  trans-84.9142.2175.100000112.3R610 K612A478-R610 HydrophobicContact CB-CB 4.27Å; A478-K612 HydrophobicContact CB-CG 4.12Å
479L92.7Very high92.2Very high0 Ų036.1 Ų36.10%019%0.185CC..BIsolated β-bridgetrans-107.2121.2-175.6-48.2177000108.1Y430 Y484 W486 L554 Y556 L611 P613Y430-L479 HydrophobicContact CD1-CD2 4.03Å; Y430-L479 HydrophobicContact CD2-CD2 4.36Å; Y430-L479 HydrophobicContact CE1-CD2 3.72Å; Y430-L479 HydrophobicContact CE2-CD2 4.07Å; Y430-L479 HydrophobicContact CG-CD2 4.33Å; L479-Y484 HydrophobicContact CB-CD2 4.03Å; L479-Y484 HydrophobicContact CB-CE2 3.77Å; L479-Y484 HydrophobicContact CD1-CD2 4.36Å; L479-Y484 HydrophobicContact CD1-CG 4.39Å; L479-Y484 HydrophobicContact CD2-CD1 3.69Å; L479-Y484 HydrophobicContact CD2-CD2 4.1Å; L479-Y484 HydrophobicContact CD2-CE1 3.73Å; L479-Y484 HydrophobicContact CD2-CE2 4.13Å; L479-Y484 HydrophobicContact CD2-CG 3.86Å; L479-Y484 HydrophobicContact CG-CD2 4.39Å; L479-Y484 HydrophobicContact CG-CE2 4.46Å; L479-W486 HydrophobicContact CD1-CH2 3.88Å; L479-W486 HydrophobicContact CD1-CZ3 3.75Å; L479-L554 HydrophobicContact CB-CD2 3.93Å; L479-L554 HydrophobicContact CD1-CD2 3.56Å; L479-L554 HydrophobicContact CG-CD2 4.41Å; L479-Y556 WeakPolarHBondContact O-CE2 3.34Å; L479-L611 WeakPolarHBondContact CA-O 3.39Å; L479-L611 VanDerWaalsContact CB-O 3.24Å; L479-L611 WeakPolarHBondContact CB-O 3.29Å; L479-L611 WeakPolarHBondContact CG-O 3.4Å; L479-L611 PolarHBondContact N-O 3.24Å; L479-L611 PolarHBondContact O-N 2.78Å; L479-P613 HydrophobicContact CD1-CG 4.15Å
480D90.2Very high92.5Very high55 Ų5531.8 Ų31.829%0.29417%0.165SC..  trans-136.7-7.9-17357.819.9000115Y556 R610D480-Y556 WeakPolarHBondContact O-CD1 3.5Å; D480-Y556 WeakPolarHBondContact O-CE1 3.48Å; D480-R610 HydrophobicContact CB-CG 4.06Å; D480-R610 IonicContact OD2-NE 3.84Å; D480-R610 PolarHBondContact OD2-NE 3.35Å; D480-R610 IonicContact OD2-NH2 3.86Å
481R87.8Confident92.5Very high188 Ų18835.3 Ų35.371%0.70918%0.182SC*.SBendtrans-162.3151.717859.6-166153170.1-1.3113.7Y484R481-Y484 WeakPolarHBondContact O-CE2 3.37Å; R481-Y484 PolarHBondContact O-OH 3.01Å
482G88.6Confident92.3Very high37 Ų3739 Ų3938%0.38120%0.2SC..SBendtrans81.1-154.117600000113.2Y556G482-Y556 WeakPolarHBondContact O-CB 3.45Å; G482-Y556 PolarHBondContact O-N 3.47Å
483T91.4Very high92Very high49 Ų4939.5 Ų39.530%0.30121%0.206SC..EExtended strand (participates in β ladder)trans-121.3131.2-176.5-55.60000109.4F428 L554 E555F428-T483 HydrophobicContact CB-CG2 4.27Å; F428-T483 HydrophobicContact CD1-CG2 4.31Å; F428-T483 HydrophobicContact CD2-CG2 4.43Å; F428-T483 HydrophobicContact CG-CG2 4.08Å; T483-L554 CarbonylContact C-O 3.56Å; T483-L554 VanDerWaalsContact CA-O 3.28Å; T483-L554 WeakPolarHBondContact CA-O 3.38Å; T483-E555 HydrophobicContact CG2-CG 3.81Å
484Y92.6Very high91.9Very high39 Ų3944.4 Ų44.415%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-126139.5-179.5-56.8-87.5000109.9Y430 L479 R481 C553 L554Y430-Y484 AromaticContact CD2-CD1 3.9Å; Y430-Y484 HydrophobicContact CD2-CD1 3.9Å; Y430-Y484 HydrophobicContact CD2-CE1 4.27Å; Y430-Y484 HydrophobicContact CG-CD1 4.06Å; L479-Y484 HydrophobicContact CB-CD2 4.03Å; L479-Y484 HydrophobicContact CB-CE2 3.77Å; L479-Y484 HydrophobicContact CD1-CD2 4.36Å; L479-Y484 HydrophobicContact CD1-CG 4.39Å; L479-Y484 HydrophobicContact CD2-CD1 3.69Å; L479-Y484 HydrophobicContact CD2-CD2 4.1Å; L479-Y484 HydrophobicContact CD2-CE1 3.73Å; L479-Y484 HydrophobicContact CD2-CE2 4.13Å; L479-Y484 HydrophobicContact CD2-CG 3.86Å; L479-Y484 HydrophobicContact CG-CD2 4.39Å; L479-Y484 HydrophobicContact CG-CE2 4.46Å; R481-Y484 WeakPolarHBondContact O-CE2 3.37Å; R481-Y484 PolarHBondContact O-OH 3.01Å; Y484-C553 CarbonylContact O-C 3.56Å; Y484-C553 WeakPolarHBondContact O-CA 2.98Å; Y484-L554 HydrophobicContact CD2-CD2 4.37Å; Y484-L554 PolarHBondContact N-O 3.38Å; Y484-L554 PolarHBondContact O-N 3.43Å
485Y92.8Very high91.8Very high3 Ų343.8 Ų43.81%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-131.9132.1176.9177.7-104.4000110.9F425 L426 F428 A429 Y430 E487 V552 C553 M571F425-Y485 HydrophobicContact CB-CD1 3.9Å; F425-Y485 HydrophobicContact CB-CD2 3.97Å; F425-Y485 HydrophobicContact CB-CE1 3.99Å; F425-Y485 HydrophobicContact CB-CE2 4.06Å; F425-Y485 HydrophobicContact CB-CG 3.88Å; F425-Y485 HydrophobicContact CD1-CD2 4.26Å; F425-Y485 HydrophobicContact CG-CD2 4.42Å; F425-Y485 HydrophobicContact CG-CE2 4.41Å; L426-Y485 HydrophobicContact CD2-CD1 4.49Å; L426-Y485 HydrophobicContact CD2-CE1 4.18Å; F428-Y485 PolarHBondContact O-N 3.09Å; A429-Y485 CarbonylContact C-O 3.59Å; A429-Y485 VanDerWaalsContact CA-O 3.25Å; A429-Y485 WeakPolarHBondContact CA-O 3.1Å; Y430-Y485 PolarHBondContact N-O 2.98Å; Y485-E487 HydrophobicContact CE1-CG 3.76Å; Y485-E487 WeakPolarHBondContact OH-CG 3.45Å; Y485-E487 PolarHBondContact OH-OE1 3.25Å; Y485-E487 VanDerWaalsContact OH-OE1 3.1Å; Y485-V552 CarbonylContact C-O 3.58Å; Y485-V552 VanDerWaalsContact CA-O 3.25Å; Y485-V552 WeakPolarHBondContact CA-O 3.32Å; Y485-V552 VanDerWaalsContact CD2-O 3.28Å; Y485-V552 WeakPolarHBondContact CD2-O 3.4Å; Y485-C553 HydrophobicContact CD2-CB 4.07Å; Y485-M571 HydrophobicContact CE2-CE 3.74Å; Y485-M571 VanDerWaalsContact OH-CE 3.3Å; Y485-M571 WeakPolarHBondContact OH-CE 3.44Å
486W93.6Very high91.9Very high5 Ų543.9 Ų43.92%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-142.1155.1171.662.895.4000110.8V432 L479 V499 G551 V552 L554 P613V432-W486 HydrophobicContact CG2-CB 3.88Å; V432-W486 HydrophobicContact CG2-CD2 4.15Å; V432-W486 HydrophobicContact CG2-CG 3.75Å; L479-W486 HydrophobicContact CD1-CH2 3.88Å; L479-W486 HydrophobicContact CD1-CZ3 3.75Å; W486-V499 HydrophobicContact CH2-CG1 3.78Å; W486-V499 HydrophobicContact CZ2-CG1 4.04Å; W486-G551 CarbonylContact O-C 3.56Å; W486-G551 WeakPolarHBondContact O-CA 3.34Å; W486-V552 HydrophobicContact CD2-CB 4.05Å; W486-V552 HydrophobicContact CG-CB 4.49Å; W486-V552 HydrophobicContact CH2-CB 4.36Å; W486-V552 HydrophobicContact CH2-CG1 3.79Å; W486-V552 HydrophobicContact CZ2-CB 3.79Å; W486-V552 HydrophobicContact CZ2-CG1 3.45Å; W486-V552 VanDerWaalsContact CZ2-CG1 3.45Å; W486-V552 HydrophobicContact CZ2-CG2 4.4Å; W486-V552 HydrophobicContact CZ3-CG1 4.45Å; W486-V552 PolarHBondContact N-O 2.84Å; W486-V552 PolarHBondContact O-N 2.97Å; W486-L554 HydrophobicContact CH2-CB 4.21Å; W486-L554 HydrophobicContact CZ3-CB 4.1Å; W486-P613 HydrophobicContact CH2-CG 4.47Å; W486-P613 HydrophobicContact CZ2-CB 4.04Å; W486-P613 HydrophobicContact CZ2-CG 4.27Å
487E93.3Very high92.2Very high14 Ų1438 Ų387%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-111.6146.6178-69.1179.6174.200109.7R422 Y485 T549 V550 G627R422-E487 IonicContact CZ-OE1 3.33Å; R422-E487 IonicContact CZ-OE2 2.81Å; R422-E487 IonicContact NE-OE1 3.65Å; R422-E487 PolarHBondContact NE-OE1 3.29Å; R422-E487 IonicContact NE-OE2 3.34Å; R422-E487 VanDerWaalsContact NH2-CD 3.35Å; R422-E487 IonicContact NH2-OE1 3.94Å; R422-E487 PolarHBondContact NH2-OE1 3.07Å; R422-E487 IonicContact NH2-OE2 2.65Å; R422-E487 PolarHBondContact NH2-OE2 2.95Å; Y485-E487 HydrophobicContact CE1-CG 3.76Å; Y485-E487 WeakPolarHBondContact OH-CG 3.45Å; Y485-E487 PolarHBondContact OH-OE1 3.25Å; Y485-E487 VanDerWaalsContact OH-OE1 3.1Å; E487-T549 HydrophobicContact CB-CG2 4.02Å; E487-T549 HydrophobicContact CG-CG2 4.41Å; E487-V550 CarbonylContact C-O 3.57Å; E487-V550 WeakPolarHBondContact CA-O 3.49Å; E487-G627 PolarHBondContact O-N 3.15Å
488V94.7Very high92.7Very high0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-131.6126.6176.2-1740000108.4V497 T549 V550 F615 L624V488-V497 HydrophobicContact CB-CG1 4.32Å; V488-V497 HydrophobicContact CB-CG2 4.37Å; V488-V497 HydrophobicContact CG1-CG2 4.07Å; V488-V497 HydrophobicContact CG2-CG1 3.72Å; V488-T549 CarbonylContact O-C 3.53Å; V488-T549 WeakPolarHBondContact O-CA 3.38Å; V488-V550 PolarHBondContact N-O 3.4Å; V488-V550 PolarHBondContact O-N 3.49Å; V488-F615 HydrophobicContact CG2-CE1 3.79Å; V488-L624 HydrophobicContact CG1-CB 4.25Å; V488-L624 HydrophobicContact CG1-CD1 4Å
489E94.1Very high93Very high58 Ų5835.9 Ų35.927%0.27118%0.175SC..EExtended strand (participates in β ladder)trans-91.9112.7173.1-170.2166.4-159.700109.2P548 L624 Q625E489-P548 CarbonylContact C-O 3.58Å; E489-P548 VanDerWaalsContact CA-O 3.29Å; E489-P548 WeakPolarHBondContact CA-O 3.36Å; E489-L624 CarbonylContact O-C 3.54Å; E489-L624 WeakPolarHBondContact O-CA 3.5Å; E489-Q625 WeakPolarHBondContact CA-O 3.32Å; E489-Q625 WeakPolarHBondContact CB-O 3.4Å; E489-Q625 PolarHBondContact N-O 3.27Å; E489-Q625 PolarHBondContact O-N 3.42Å
490I93.4Very high93.2Very high7 Ų736 Ų364%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-83.4111.5172.9-53.3179000106.6V495 W526 F531 F546 P548 V550I490-V495 HydrophobicContact CB-CG2 4.17Å; I490-V495 HydrophobicContact CD1-CG2 3.6Å; I490-V495 HydrophobicContact CG1-CG2 3.65Å; I490-V495 HydrophobicContact CG2-CG2 3.55Å; I490-W526 HydrophobicContact CD1-CB 4.07Å; I490-F531 HydrophobicContact CD1-CE1 4.22Å; I490-F546 HydrophobicContact CB-CE2 4.45Å; I490-F546 HydrophobicContact CB-CZ 4.45Å; I490-F546 HydrophobicContact CG2-CE2 4.29Å; I490-F546 HydrophobicContact CG2-CZ 4.39Å; I490-P548 PolarHBondContact N-O 3.16Å; I490-V550 HydrophobicContact CD1-CG2 3.86Å
491I90.2Very high93.4Very high75 Ų7533.3 Ų33.339%0.38516%0.161SC..EExtended strand (participates in β ladder)trans-87.7-49.6-176.6-61.9167.1000109.5H623 Q625I491-H623 HydrophobicContact CB-CB 4.18Å; I491-H623 WeakPolarHBondContact CB-O 3.35Å; I491-H623 VanDerWaalsContact CD1-CE1 3.43Å; I491-H623 WeakPolarHBondContact CD1-CE1 3.43Å; I491-H623 WeakPolarHBondContact CD1-NE2 3.38Å; I491-H623 PolarHBondContact N-O 2.83Å; I491-Q625 HydrophobicContact CD1-CB 3.91Å
492E89.6Confident93.7Very high103 Ų10327.9 Ų27.948%0.48114%0.143SC..EExtended strand (participates in β ladder)trans-156.3159-175.5-165.2166.6-15400111.3D621 A622 H623E492-D621 HydrophobicContact CG-CB 4.36Å; E492-A622 WeakPolarHBondContact O-CA 3.36Å; E492-H623 HydrophobicContact CB-CB 4.38Å; E492-H623 PolarHBondContact N-O 3.07Å; E492-H623 VanDerWaalsContact N-O 3.17Å; E492-H623 PolarHBondContact O-N 3.13Å
493G90.5Very high93.8Very high14 Ų1431.1 Ų31.114%0.14415%0.152CC..SBendtrans71.3-166.1174.300000115.5S619G493-S619 WeakPolarHBondContact CA-OG 3.28Å
494W93.6Very high93.9Very high103 Ų10330 Ų3039%0.3914%0.143SC..  trans-98.4126.9-178.2-54.7-11.9000109.6P389 W526 N527 E618 S619 A622P389-W494 HydrophobicContact CG-CH2 4.06Å; P389-W494 HydrophobicContact CG-CZ2 3.89Å; W494-W526 VanDerWaalsContact CA-O 3.27Å; W494-W526 WeakPolarHBondContact CA-O 3.39Å; W494-W526 WeakPolarHBondContact CB-O 3.39Å; W494-N527 VanDerWaalsContact CD1-C 3.44Å; W494-N527 PolarHBondContact NE1-O 3.44Å; W494-E618 HydrophobicContact CB-CB 3.84Å; W494-E618 PolarHBondContact O-N 3.11Å; W494-S619 PolarHBondContact N-OG 3.15Å; W494-A622 WeakPolarHBondContact O-CB 3.4Å
495V95.6Very high93.8Very high0 Ų030.8 Ų30.80%015%0.154CC..EExtended strand (participates in β ladder)trans-140143.9-174.8-60.50000110.5I490 W526 F616 A622 L624I490-V495 HydrophobicContact CB-CG2 4.17Å; I490-V495 HydrophobicContact CD1-CG2 3.6Å; I490-V495 HydrophobicContact CG1-CG2 3.65Å; I490-V495 HydrophobicContact CG2-CG2 3.55Å; V495-W526 HydrophobicContact CG2-CB 4.39Å; V495-W526 PolarHBondContact N-O 2.74Å; V495-W526 VanDerWaalsContact N-O 3.1Å; V495-W526 PolarHBondContact O-N 2.76Å; V495-F616 CarbonylContact C-O 3.55Å; V495-F616 WeakPolarHBondContact CA-O 3.46Å; V495-A622 HydrophobicContact CG1-CB 4.06Å; V495-L624 HydrophobicContact CB-CD2 4.12Å; V495-L624 HydrophobicContact CG1-CB 4.46Å; V495-L624 HydrophobicContact CG1-CD2 4.03Å
496S96.6Very high93.7Very high2 Ų231.5 Ų31.51%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-113.9130.5169.6-71.60000110L524 Q525 F615 F616 E618S496-L524 CarbonylContact C-O 3.6Å; S496-L524 WeakPolarHBondContact CA-O 3.41Å; S496-Q525 VanDerWaalsContact OG-CB 3.27Å; S496-Q525 WeakPolarHBondContact OG-CB 3.09Å; S496-Q525 VanDerWaalsContact OG-CG 3.29Å; S496-Q525 WeakPolarHBondContact OG-CG 3.19Å; S496-F615 WeakPolarHBondContact O-CA 3.45Å; S496-F616 PolarHBondContact N-O 2.79Å; S496-F616 PolarHBondContact O-N 2.94Å; S496-E618 PolarHBondContact OG-OE1 3.01Å
497V97.4Very high93.4Very high2 Ų235.5 Ų35.51%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-122.9128.4-178.5-178.30000108.6V488 C523 L524 V552 F615V488-V497 HydrophobicContact CB-CG1 4.32Å; V488-V497 HydrophobicContact CB-CG2 4.37Å; V488-V497 HydrophobicContact CG1-CG2 4.07Å; V488-V497 HydrophobicContact CG2-CG1 3.72Å; V497-C523 WeakPolarHBondContact O-CA 3.35Å; V497-C523 WeakPolarHBondContact O-CB 3.32Å; V497-L524 PolarHBondContact N-O 2.77Å; V497-L524 PolarHBondContact O-N 2.96Å; V497-V552 HydrophobicContact CG1-CG2 3.83Å; V497-F615 HydrophobicContact CG1-CD1 4.13Å; V497-F615 HydrophobicContact CG1-CE1 3.98Å; V497-F615 HydrophobicContact CG2-CD1 4.37Å
498G96.8Very high93.1Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-175.1-145.1-178.100000113.9C522 A614G498-C522 VanDerWaalsContact CA-O 3.31Å; G498-C522 WeakPolarHBondContact CA-O 3.31Å; G498-A614 PolarHBondContact N-O 2.81Å; G498-A614 PolarHBondContact O-N 2.85Å
499V97.4Very high92.7Very high0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-132147.8178.9-64.40000110.7W486 S521 C522 L561 L606 L611 K612W486-V499 HydrophobicContact CH2-CG1 3.78Å; W486-V499 HydrophobicContact CZ2-CG1 4.04Å; V499-S521 VanDerWaalsContact O-CA 3.28Å; V499-S521 WeakPolarHBondContact O-CA 3.29Å; V499-S521 WeakPolarHBondContact O-CB 3.29Å; V499-C522 PolarHBondContact N-O 3.35Å; V499-C522 PolarHBondContact O-N 3.43Å; V499-L561 HydrophobicContact CG1-CD1 4.43Å; V499-L561 HydrophobicContact CG2-CD2 3.88Å; V499-L606 HydrophobicContact CG2-CD2 4.33Å; V499-L611 HydrophobicContact CB-CB 4.38Å; V499-L611 HydrophobicContact CG2-CD1 4.22Å; V499-K612 CarbonylContact C-O 3.45Å; V499-K612 VanDerWaalsContact CA-O 3.26Å; V499-K612 WeakPolarHBondContact CA-O 3.42Å
500M96.5Very high92.2Very high1 Ų143.1 Ų43.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-135.6144.3174.9-177.7173.5-75.800109.6F467 L474 F504 L515 H520 L611 K612 A614F467-M500 HydrophobicContact CE1-SD 4.17Å; F467-M500 HydrophobicContact CZ-CE 4.48Å; F467-M500 HydrophobicContact CZ-SD 3.74Å; L474-M500 HydrophobicContact CD2-CB 4.07Å; L474-M500 HydrophobicContact CD2-SD 4.12Å; M500-F504 HydrophobicContact CE-CD1 4.13Å; M500-F504 HydrophobicContact CE-CE1 4.26Å; M500-F504 HydrophobicContact CG-CB 3.93Å; M500-F504 HydrophobicContact CG-CD1 4.34Å; M500-F504 HydrophobicContact CG-CG 4.17Å; M500-F504 HydrophobicContact SD-CB 4.05Å; M500-F504 HydrophobicContact SD-CD1 3.44Å; M500-F504 WeakPolarHBondContact SD-CD1 3.24Å; M500-F504 HydrophobicContact SD-CE1 4.14Å; M500-F504 HydrophobicContact SD-CG 3.88Å; M500-L515 HydrophobicContact CB-CD1 4.13Å; M500-L515 HydrophobicContact CE-CB 4.44Å; M500-L515 HydrophobicContact CE-CD1 3.73Å; M500-H520 CarbonylContact C-O 3.55Å; M500-H520 WeakPolarHBondContact CA-O 3.29Å; M500-L611 CarbonylContact O-C 3.59Å; M500-L611 WeakPolarHBondContact O-CA 3.42Å; M500-K612 PolarHBondContact N-O 3.32Å; M500-K612 PolarHBondContact O-N 3.02Å; M500-A614 HydrophobicContact CB-CB 3.71Å
501A95.8Very high91.5Very high0 Ų048.7 Ų48.70%025%0.246CC..EExtended strand (participates in β ladder)trans-62.3135.8173.400000110.7D503 F504 H520 H609 R610 L611A501-D503 VanDerWaalsContact C-N 3.25Å; A501-D503 WeakPolarHBondContact CB-OD1 3.34Å; A501-D503 PolarHBondContact O-N 2.79Å; A501-F504 WeakPolarHBondContact O-CB 3.49Å; A501-F504 PolarHBondContact O-N 3.48Å; A501-F504 VanDerWaalsContact O-N 3.15Å; A501-H520 HydrophobicContact CB-CB 3.9Å; A501-H520 PolarHBondContact N-O 2.63Å; A501-H609 HydrophobicContact CB-CB 3.69Å; A501-R610 WeakPolarHBondContact CA-O 3.49Å; A501-L611 HydrophobicContact CB-CD2 4.41Å
502E93.9Very high91.2Very high73 Ų7353.4 Ų53.434%0.34126%0.259SS..THydrogen-bonded Turntrans-62.8-32.1-177.8177.8-179.6-143.100112.8F504 R610 K612E502-F504 PolarHBondContact O-N 3.23Å; E502-R610 HydrophobicContact CB-CB 4.32Å; E502-R610 WeakPolarHBondContact CB-O 3.33Å; E502-R610 VanDerWaalsContact CD-NH1 3.27Å; E502-R610 PolarHBondContact N-O 2.71Å; E502-R610 IonicContact OE1-NH1 3.41Å; E502-R610 PolarHBondContact OE1-NH1 2.87Å; E502-R610 VanDerWaalsContact OE1-NH1 3.1Å; E502-R610 WeakPolarHBondContact OE2-CB 3.21Å; E502-R610 WeakPolarHBondContact OE2-CD 3.33Å; E502-R610 IonicContact OE2-CZ 3.26Å; E502-R610 IonicContact OE2-NE 2.7Å; E502-R610 IonicContact OE2-NH1 2.81Å; E502-R610 PolarHBondContact OE2-NH1 2.85Å; E502-K612 HydrophobicContact CB-CD 4.39Å; E502-K612 HydrophobicContact CB-CG 4.4Å; E502-K612 HydrophobicContact CG-CD 4.25Å
503D90.8Very high91.2Very high105 Ų10548.6 Ų48.656%0.56124%0.237SC*.THydrogen-bonded Turntrans-857.9179.162.4-27000113.4A501 S505 H609A501-D503 VanDerWaalsContact C-N 3.25Å; A501-D503 WeakPolarHBondContact CB-OD1 3.34Å; A501-D503 PolarHBondContact O-N 2.79Å; D503-S505 PolarHBondContact O-N 2.84Å; D503-H609 VanDerWaalsContact CG-ND1 3.31Å; D503-H609 IonicContact OD1-CE1 3.63Å; D503-H609 IonicContact OD1-CG 2.69Å; D503-H609 IonicContact OD1-ND1 3.44Å; D503-H609 PolarHBondContact OD1-ND1 2.74Å; D503-H609 IonicContact OD2-CE1 4Å; D503-H609 PolarHBondContact OD2-CE1 3.29Å; D503-H609 IonicContact OD2-ND1 3.91Å; D503-H609 PolarHBondContact OD2-ND1 3.31Å
504F93Very high91.3Very high27 Ų2748.9 Ų48.912%0.11823%0.234CC..  trans-65.7133.1174.9-174.6-101.4000111.3F467 M500 A501 E502 P506 E508 N518 H520F467-F504 HydrophobicContact CE1-CD1 4.26Å; F467-F504 HydrophobicContact CE1-CE1 4.34Å; M500-F504 HydrophobicContact CE-CD1 4.13Å; M500-F504 HydrophobicContact CE-CE1 4.26Å; M500-F504 HydrophobicContact CG-CB 3.93Å; M500-F504 HydrophobicContact CG-CD1 4.34Å; M500-F504 HydrophobicContact CG-CG 4.17Å; M500-F504 HydrophobicContact SD-CB 4.05Å; M500-F504 HydrophobicContact SD-CD1 3.44Å; M500-F504 WeakPolarHBondContact SD-CD1 3.24Å; M500-F504 HydrophobicContact SD-CE1 4.14Å; M500-F504 HydrophobicContact SD-CG 3.88Å; A501-F504 WeakPolarHBondContact O-CB 3.49Å; A501-F504 PolarHBondContact O-N 3.48Å; A501-F504 VanDerWaalsContact O-N 3.15Å; E502-F504 PolarHBondContact O-N 3.23Å; F504-P506 WeakPolarHBondContact O-CD 3.29Å; F504-E508 HydrophobicContact CE1-CB 4.38Å; F504-E508 HydrophobicContact CE1-CG 4.47Å; F504-E508 HydrophobicContact CE2-CG 4.24Å; F504-E508 HydrophobicContact CZ-CB 3.94Å; F504-E508 HydrophobicContact CZ-CG 3.84Å; F504-N518 HydrophobicContact CE2-CB 4.26Å; F504-N518 WeakPolarHBondContact CE2-ND2 3.38Å; F504-N518 WeakPolarHBondContact CZ-ND2 3.39Å; F504-H520 HydrophobicContact CD2-CB 3.7Å; F504-H520 HydrophobicContact CE2-CB 4.41Å; F504-H520 HydrophobicContact CG-CB 4.48Å
505S90.6Very high91.4Very high55 Ų5544.1 Ų44.139%0.38522%0.216SC..  trans-76.4118.4178.5178.10000111D503 Q507 E508D503-S505 PolarHBondContact O-N 2.84Å; S505-Q507 PolarHBondContact O-N 3.05Å; S505-E508 WeakPolarHBondContact O-CG 3.36Å; S505-E508 PolarHBondContact O-N 3.19Å
506P89.9Confident91.3Very high17 Ų1744.1 Ų44.111%0.1122%0.216CC..THydrogen-bonded Turntrans-74.6-7.3179.933.1-37.8000113.4P464 R466 F467 F504 E508P464-P506 WeakPolarHBondContact O-CG 3.36Å; R466-P506 WeakPolarHBondContact O-CB 3.46Å; F467-P506 HydrophobicContact CD1-CB 3.58Å; F467-P506 HydrophobicContact CE1-CB 3.82Å; F467-P506 HydrophobicContact CG-CB 4.14Å; F504-P506 WeakPolarHBondContact O-CD 3.29Å; P506-E508 VanDerWaalsContact C-N 3.34Å
507Q87.2Confident91.1Very high90 Ų9047.9 Ų47.942%0.42123%0.23SC..THydrogen-bonded Turntrans-88.91176.5-55-56.3-32.300112.9R466 T468 S505R466-Q507 PolarHBondContact O-NE2 2.93Å; T468-Q507 PolarHBondContact OG1-OE1 3.28Å; S505-Q507 PolarHBondContact O-N 3.05Å
508E88.4Confident90.9Very high67 Ų6748.5 Ų48.531%0.31323%0.234SC..SBendtrans-57.8139.6173.8-78.3-70.1157.300110.8H469 F504 S505 P506H469-E508 PolarHBondContact CD2-O 3.27Å; F504-E508 HydrophobicContact CE1-CB 4.38Å; F504-E508 HydrophobicContact CE1-CG 4.47Å; F504-E508 HydrophobicContact CE2-CG 4.24Å; F504-E508 HydrophobicContact CZ-CB 3.94Å; F504-E508 HydrophobicContact CZ-CG 3.84Å; S505-E508 WeakPolarHBondContact O-CG 3.36Å; S505-E508 PolarHBondContact O-N 3.19Å; P506-E508 VanDerWaalsContact C-N 3.34Å
509P86.3Confident90.6Very high72 Ų7250.5 Ų50.547%0.46825%0.25SC..  trans-58152.3177.7-21.131.4000111.5D511 R512 G513P509-D511 PolarHBondContact O-N 2.97Å; P509-R512 CarbonylContact O-C 3.55Å; P509-R512 PolarHBondContact O-N 3.14Å; P509-G513 PolarHBondContact O-N 3.49Å
510Y83.4Confident90.5Very high92 Ų9253.6 Ų53.636%0.36126%0.264SS..Hα-helixtrans-43.3-45.3-175.1-174.1-103.6000115H469 C470 R512 G513 R514 F616H469-Y510 WeakPolarHBondContact O-CD2 3.46Å; C470-Y510 HydrophobicContact CB-CD2 4.36Å; C470-Y510 VanDerWaalsContact SG-CD2 3.5Å; Y510-R512 PolarHBondContact O-N 3.49Å; Y510-G513 PolarHBondContact O-N 3.48Å; Y510-R514 HydrophobicContact CD2-CG 4.41Å; Y510-R514 HydrophobicContact CE1-CG 4.41Å; Y510-R514 HydrophobicContact CE2-CG 4.18Å; Y510-R514 WeakPolarHBondContact O-CG 3.48Å; Y510-R514 PolarHBondContact O-N 2.67Å; Y510-F616 HydrophobicContact CE2-CZ 4.48Å
511D78.9Confident90.5Very high124 Ų12453.6 Ų53.666%0.66326%0.264SS*.Hα-helixtrans-62.7-28.3-177.9-64.4-29.7000113.9P509P509-D511 PolarHBondContact O-N 2.97Å
512R83.9Confident90.5Very high174 Ų17453.6 Ų53.666%0.65726%0.264SS*.Hα-helixtrans-107.2-25.1-179.4-60.7-178.3-177.7-175.20.6112.6P509 Y510 N518P509-R512 CarbonylContact O-C 3.55Å; P509-R512 PolarHBondContact O-N 3.14Å; Y510-R512 PolarHBondContact O-N 3.49Å; R512-N518 WeakPolarHBondContact O-CB 3.48Å; R512-N518 PolarHBondContact O-ND2 3.39Å
513G88.3Confident90.7Very high2 Ų250.1 Ų50.12%0.02125%0.248CC..Hα-helixtrans-73.2-23.3179.400000114.4Q472 P509 Y510Q472-G513 PolarHBondContact NE2-O 2.95Å; Q472-G513 PolarHBondContact OE1-O 3.04Å; P509-G513 PolarHBondContact O-N 3.49Å; Y510-G513 PolarHBondContact O-N 3.48Å
514R92.9Very high91Very high20 Ų2045.2 Ų45.28%0.07522%0.222CC..SBendtrans-65.3136.4-177.4-88.5-178.861.1148.89.1113.6Y510 G516 R517 N518 F616 E618Y510-R514 HydrophobicContact CD2-CG 4.41Å; Y510-R514 HydrophobicContact CE1-CG 4.41Å; Y510-R514 HydrophobicContact CE2-CG 4.18Å; Y510-R514 WeakPolarHBondContact O-CG 3.48Å; Y510-R514 PolarHBondContact O-N 2.67Å; R514-G516 PolarHBondContact O-N 2.64Å; R514-R517 HydrophobicContact CB-CB 3.99Å; R514-R517 HydrophobicContact CB-CG 4.06Å; R514-R517 WeakPolarHBondContact O-CB 3.47Å; R514-R517 PolarHBondContact O-N 2.73Å; R514-N518 PolarHBondContact O-ND2 3.26Å; R514-F616 HydrophobicContact CG-CE1 3.95Å; R514-F616 HydrophobicContact CG-CZ 4.02Å; R514-E618 IonicContact CZ-OE2 2.92Å; R514-E618 IonicContact NH2-OE2 3.12Å; R514-E618 PolarHBondContact NH2-OE2 2.76Å
515L95.8Very high91.2Very high3 Ų344.4 Ų44.42%0.01622%0.218CC..THydrogen-bonded Turntrans-55.1129.2175-170.468.7000110.8Q472 M500 R517 C523 A614 F616Q472-L515 VanDerWaalsContact OE1-CB 3.31Å; M500-L515 HydrophobicContact CB-CD1 4.13Å; M500-L515 HydrophobicContact CE-CB 4.44Å; M500-L515 HydrophobicContact CE-CD1 3.73Å; L515-R517 PolarHBondContact O-N 2.81Å; L515-C523 HydrophobicContact CD2-CB 3.58Å; L515-C523 HydrophobicContact CG-CB 3.67Å; L515-A614 HydrophobicContact CD1-CB 3.53Å; L515-A614 HydrophobicContact CD2-CB 4.19Å; L515-F616 HydrophobicContact CB-CB 4.16Å; L515-F616 HydrophobicContact CD2-CB 4.24Å
516G92.9Very high91.3Very high0 Ų043 Ų430%021%0.205CC..THydrogen-bonded Turntrans78.3-10-176.900000115R514 S521 F535 H536 G537R514-G516 PolarHBondContact O-N 2.64Å; G516-S521 PolarHBondContact N-OG 2.94Å; G516-F535 CarbonylContact O-C 3.6Å; G516-F535 VanDerWaalsContact O-C 3.29Å; G516-F535 WeakPolarHBondContact O-CA 3.4Å; G516-F535 PolarHBondContact O-N 3.32Å; G516-H536 PolarHBondContact O-N 2.92Å; G516-H536 VanDerWaalsContact O-N 3.08Å; G516-G537 PolarHBondContact O-N 3.37Å
517R93Very high91.2Very high82 Ų8243.6 Ų43.631%0.30921%0.207SC..SBendtrans-97.112.7-179.9-61.7-165.6175-172.7-1.9114.6R514 L515 W534R514-R517 HydrophobicContact CB-CB 3.99Å; R514-R517 HydrophobicContact CB-CG 4.06Å; R514-R517 WeakPolarHBondContact O-CB 3.47Å; R514-R517 PolarHBondContact O-N 2.73Å; L515-R517 PolarHBondContact O-N 2.81Å; R517-W534 HydrophobicContact CG-CE3 4.14Å; R517-W534 HydrophobicContact CG-CZ3 4.34Å
518N92.8Very high91Very high15 Ų1540.9 Ų40.98%0.0820%0.203CC..SBendtrans-137.1173.9175.856.457.7000111.2F504 R512 R514 H520 S521 H536F504-N518 HydrophobicContact CE2-CB 4.26Å; F504-N518 WeakPolarHBondContact CE2-ND2 3.38Å; F504-N518 WeakPolarHBondContact CZ-ND2 3.39Å; R512-N518 WeakPolarHBondContact O-CB 3.48Å; R512-N518 PolarHBondContact O-ND2 3.39Å; R514-N518 PolarHBondContact O-ND2 3.26Å; N518-H520 PolarHBondContact O-N 3Å; N518-H520 WeakPolarHBondContact OD1-CA 3.45Å; N518-H520 PolarHBondContact OD1-N 2.8Å; N518-S521 VanDerWaalsContact CG-OG 3.29Å; N518-S521 PolarHBondContact ND2-OG 3.24Å; N518-S521 WeakPolarHBondContact OD1-CB 3.32Å; N518-S521 PolarHBondContact OD1-N 3.2Å; N518-S521 PolarHBondContact OD1-OG 2.78Å; N518-H536 VanDerWaalsContact O-CA 3.31Å; N518-H536 WeakPolarHBondContact O-CA 3.49Å; N518-H536 PolarHBondContact O-N 2.77Å
519A91.4Very high90.8Very high41 Ų4142.8 Ų42.834%0.33921%0.207SC..THydrogen-bonded Turntrans-73.9-15.1179.200000113.6
520H94.9Very high90.9Very high66 Ų6640.7 Ų40.731%0.30619%0.194SC..THydrogen-bonded Turntrans-100.58.7-172.5-64.5-77.7000113M500 A501 F504 N518 L606 H609M500-H520 CarbonylContact C-O 3.55Å; M500-H520 WeakPolarHBondContact CA-O 3.29Å; A501-H520 HydrophobicContact CB-CB 3.9Å; A501-H520 PolarHBondContact N-O 2.63Å; F504-H520 HydrophobicContact CD2-CB 3.7Å; F504-H520 HydrophobicContact CE2-CB 4.41Å; F504-H520 HydrophobicContact CG-CB 4.48Å; N518-H520 PolarHBondContact O-N 3Å; N518-H520 WeakPolarHBondContact OD1-CA 3.45Å; N518-H520 PolarHBondContact OD1-N 2.8Å; H520-L606 WeakPolarHBondContact O-CD1 3.48Å; H520-H609 AromaticContact CE1-CE1 3.96Å; H520-H609 AromaticContact CE1-NE2 3.84Å; H520-H609 AromaticContact ND1-NE2 3.82Å
521S96.1Very high91.5Very high0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-151.2154-179.6610000113.2V499 G516 N518 F535V499-S521 VanDerWaalsContact O-CA 3.28Å; V499-S521 WeakPolarHBondContact O-CA 3.29Å; V499-S521 WeakPolarHBondContact O-CB 3.29Å; G516-S521 PolarHBondContact N-OG 2.94Å; N518-S521 VanDerWaalsContact CG-OG 3.29Å; N518-S521 PolarHBondContact ND2-OG 3.24Å; N518-S521 WeakPolarHBondContact OD1-CB 3.32Å; N518-S521 PolarHBondContact OD1-N 3.2Å; N518-S521 PolarHBondContact OD1-OG 2.78Å; S521-F535 WeakPolarHBondContact O-CD2 3.49Å
522C96.9Very high92.2Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-144.1136174.9-176.20000109.4G498 V499 W534 F535 L561 L577 F603 L606G498-C522 VanDerWaalsContact CA-O 3.31Å; G498-C522 WeakPolarHBondContact CA-O 3.31Å; V499-C522 PolarHBondContact N-O 3.35Å; V499-C522 PolarHBondContact O-N 3.43Å; C522-W534 WeakPolarHBondContact CA-O 3.43Å; C522-W534 PolarHBondContact SG-O 3.09Å; C522-W534 VanDerWaalsContact SG-O 3.39Å; C522-F535 HydrophobicContact CB-CD2 3.95Å; C522-L561 HydrophobicContact CB-CD2 4.09Å; C522-L577 WeakPolarHBondContact SG-CD1 3.44Å; C522-F603 HydrophobicContact CB-CE2 4.13Å; C522-L606 HydrophobicContact CB-CD2 3.95Å
523C97.1Very high92.8Very high0 Ų022.2 Ų22.20%012%0.115CC..EExtended strand (participates in β ladder)trans-145.5161.1-179.961.70000113.5V497 L515 V533 W534V497-C523 WeakPolarHBondContact O-CA 3.35Å; V497-C523 WeakPolarHBondContact O-CB 3.32Å; L515-C523 HydrophobicContact CD2-CB 3.58Å; L515-C523 HydrophobicContact CG-CB 3.67Å; C523-V533 WeakPolarHBondContact O-CA 3.42Å; C523-W534 PolarHBondContact N-O 2.92Å; C523-W534 VanDerWaalsContact N-O 3.11Å; C523-W534 PolarHBondContact O-N 3.24Å
524L97.6Very high93.2Very high3 Ų323.3 Ų23.32%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-97123.1160.4-173.381.3000108S496 V497 F531 S532 V533 L542 V550 F563 L574S496-L524 CarbonylContact C-O 3.6Å; S496-L524 WeakPolarHBondContact CA-O 3.41Å; V497-L524 PolarHBondContact N-O 2.77Å; V497-L524 PolarHBondContact O-N 2.96Å; L524-F531 HydrophobicContact CD1-CB 3.96Å; L524-F531 HydrophobicContact CD1-CD1 4.24Å; L524-F531 HydrophobicContact CD1-CG 4.37Å; L524-F531 HydrophobicContact CD2-CD1 3.48Å; L524-F531 VanDerWaalsContact CD2-CD1 3.48Å; L524-F531 HydrophobicContact CD2-CE1 3.77Å; L524-F531 HydrophobicContact CD2-CG 4.15Å; L524-F531 HydrophobicContact CG-CB 4.37Å; L524-F531 HydrophobicContact CG-CD1 3.73Å; L524-F531 HydrophobicContact CG-CE1 4.43Å; L524-F531 HydrophobicContact CG-CG 4.35Å; L524-S532 CarbonylContact C-O 3.5Å; L524-V533 HydrophobicContact CD1-CG2 3.69Å; L524-L542 HydrophobicContact CD1-CD1 3.64Å; L524-V550 HydrophobicContact CD2-CG1 3.64Å; L524-V550 HydrophobicContact CD2-CG2 4.24Å; L524-F563 HydrophobicContact CB-CD1 3.54Å; L524-F563 HydrophobicContact CB-CD2 4.14Å; L524-F563 HydrophobicContact CB-CE1 3.61Å; L524-F563 HydrophobicContact CB-CE2 4.19Å; L524-F563 HydrophobicContact CB-CG 3.81Å; L524-F563 HydrophobicContact CB-CZ 3.94Å; L524-F563 HydrophobicContact CD1-CB 4.29Å; L524-F563 HydrophobicContact CD1-CD2 4.35Å; L524-F563 HydrophobicContact CD1-CG 4.23Å; L524-F563 HydrophobicContact CD2-CB 4.05Å; L524-F563 HydrophobicContact CD2-CD1 4.17Å; L524-F563 HydrophobicContact CD2-CG 4.22Å; L524-F563 HydrophobicContact CG-CD1 4.36Å; L524-F563 HydrophobicContact CG-CG 4.32Å; L524-L574 HydrophobicContact CD2-CD1 3.72Å
525Q96.2Very high93.3Very high9 Ų922.4 Ų22.44%0.04212%0.115CC..EExtended strand (participates in β ladder)trans-102132.6176.3179.8-176.761.900109.8S496 N527 F531 S532 E618S496-Q525 VanDerWaalsContact OG-CB 3.27Å; S496-Q525 WeakPolarHBondContact OG-CB 3.09Å; S496-Q525 VanDerWaalsContact OG-CG 3.29Å; S496-Q525 WeakPolarHBondContact OG-CG 3.19Å; Q525-N527 HydrophobicContact CG-CB 4.4Å; Q525-F531 CarbonylContact O-C 3.58Å; Q525-F531 VanDerWaalsContact O-CA 3.29Å; Q525-F531 WeakPolarHBondContact O-CA 3.49Å; Q525-S532 PolarHBondContact N-O 3.21Å; Q525-S532 PolarHBondContact O-N 2.96Å; Q525-E618 WeakPolarHBondContact CG-OE1 3.41Å; Q525-E618 PolarHBondContact NE2-OE1 3.08Å; Q525-E618 PolarHBondContact NE2-OE2 3.05Å
526W94.5Very high93.1Very high27 Ų2724.7 Ų24.710%0.10213%0.125CC..EExtended strand (participates in β ladder)trans-99.2112.2159.1176.1-110.7000108.8I490 W494 V495 G528 F531 F546I490-W526 HydrophobicContact CD1-CB 4.07Å; W494-W526 VanDerWaalsContact CA-O 3.27Å; W494-W526 WeakPolarHBondContact CA-O 3.39Å; W494-W526 WeakPolarHBondContact CB-O 3.39Å; V495-W526 HydrophobicContact CG2-CB 4.39Å; V495-W526 PolarHBondContact N-O 2.74Å; V495-W526 VanDerWaalsContact N-O 3.1Å; V495-W526 PolarHBondContact O-N 2.76Å; W526-G528 VanDerWaalsContact CZ2-C 3.45Å; W526-F531 HydrophobicContact CB-CD1 4.17Å; W526-F531 HydrophobicContact CB-CE1 3.91Å; W526-F531 HydrophobicContact CD2-CE1 4.49Å; W526-F531 HydrophobicContact CE3-CD1 4.01Å; W526-F531 HydrophobicContact CE3-CD2 4.21Å; W526-F531 AromaticContact CE3-CE1 4Å; W526-F531 HydrophobicContact CE3-CE1 4Å; W526-F531 HydrophobicContact CE3-CE2 4.19Å; W526-F531 HydrophobicContact CE3-CG 4.13Å; W526-F531 HydrophobicContact CE3-CZ 4.09Å; W526-F531 HydrophobicContact CG-CE1 4.49Å; W526-F531 HydrophobicContact CZ3-CD2 4.43Å; W526-F531 HydrophobicContact CZ3-CE2 4.48Å; W526-F546 AromaticContact CD1-CE2 3.98Å; W526-F546 AromaticContact CD2-CD2 3.5Å; W526-F546 HydrophobicContact CD2-CD2 3.5Å; W526-F546 AromaticContact CD2-CE2 3.88Å; W526-F546 HydrophobicContact CD2-CE2 3.88Å; W526-F546 AromaticContact CE2-CD2 3.25Å; W526-F546 AromaticContact CE2-CE2 3.63Å; W526-F546 AromaticContact CE3-CD2 3.74Å; W526-F546 HydrophobicContact CE3-CD2 3.74Å; W526-F546 HydrophobicContact CE3-CE2 4.5Å; W526-F546 HydrophobicContact CG-CD2 4.23Å; W526-F546 HydrophobicContact CG-CE2 4.13Å; W526-F546 HydrophobicContact CH2-CB 3.44Å; W526-F546 VanDerWaalsContact CH2-CB 3.44Å; W526-F546 AromaticContact CH2-CD2 3.64Å; W526-F546 HydrophobicContact CH2-CD2 3.64Å; W526-F546 AromaticContact CH2-CG 3.87Å; W526-F546 HydrophobicContact CH2-CG 3.87Å; W526-F546 HydrophobicContact CZ2-CB 3.83Å; W526-F546 AromaticContact CZ2-CD2 3.34Å; W526-F546 HydrophobicContact CZ2-CD2 3.34Å; W526-F546 HydrophobicContact CZ2-CE2 4.1Å; W526-F546 AromaticContact CZ2-CG 3.74Å; W526-F546 HydrophobicContact CZ2-CG 3.74Å; W526-F546 HydrophobicContact CZ3-CB 3.88Å; W526-F546 AromaticContact CZ3-CD2 3.79Å; W526-F546 HydrophobicContact CZ3-CD2 3.79Å; W526-F546 HydrophobicContact CZ3-CG 4.3Å; W526-F546 AromaticContact NE1-CD2 3.79Å; W526-F546 AromaticContact NE1-CE2 3.64Å
527N86.3Confident93Very high29 Ų2926.4 Ų26.416%0.15514%0.143CC..  trans-99.413.8-177.666.413.9000113.4W494 Q525 R529 S530W494-N527 VanDerWaalsContact CD1-C 3.44Å; W494-N527 PolarHBondContact NE1-O 3.44Å; Q525-N527 HydrophobicContact CG-CB 4.4Å; N527-R529 VanDerWaalsContact C-N 3.32Å; N527-R529 PolarHBondContact O-N 2.81Å; N527-R529 PolarHBondContact OD1-N 3.04Å; N527-S530 PolarHBondContact OD1-N 3.33Å; N527-S530 PolarHBondContact OD1-O 3.31Å; N527-S530 VanDerWaalsContact OD1-O 3.07Å
528G84.5Confident93Very high33 Ų3324.4 Ų24.434%0.3414%0.138SC..SBendtrans85.6-9.3-174.800000115.3W526W526-G528 VanDerWaalsContact CZ2-C 3.45Å
529R83.1Confident93Very high107 Ų10727.7 Ų27.740%0.40415%0.153SC..SBendtrans-121.1-49.5179-177174.8178.4-176.4-11.8113.2E384 P389 N527E384-R529 VanDerWaalsContact CD-NH2 3.32Å; E384-R529 IonicContact OE1-CZ 3.14Å; E384-R529 IonicContact OE1-NE 3.36Å; E384-R529 IonicContact OE1-NH1 2.84Å; E384-R529 PolarHBondContact OE1-NH1 3.45Å; E384-R529 IonicContact OE1-NH2 2.94Å; E384-R529 PolarHBondContact OE1-NH2 3.48Å; E384-R529 IonicContact OE2-CZ 3.59Å; E384-R529 IonicContact OE2-NH1 3.62Å; E384-R529 PolarHBondContact OE2-NH1 3.28Å; E384-R529 VanDerWaalsContact OE2-NH1 3.15Å; E384-R529 IonicContact OE2-NH2 2.6Å; E384-R529 PolarHBondContact OE2-NH2 3.2Å; P389-R529 HydrophobicContact CB-CB 3.95Å; N527-R529 VanDerWaalsContact C-N 3.32Å; N527-R529 PolarHBondContact O-N 2.81Å; N527-R529 PolarHBondContact OD1-N 3.04Å
530S89.3Confident93.1Very high28 Ų2826.4 Ų26.420%0.19614%0.142CC..  trans-146.6162.7-179.457.70000110.2N527N527-S530 PolarHBondContact OD1-N 3.33Å; N527-S530 PolarHBondContact OD1-O 3.31Å; N527-S530 VanDerWaalsContact OD1-O 3.07Å
531F94.3Very high92.9Very high1 Ų127.6 Ų27.60%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-75.3140.2164.8-73.4-69000109.9I490 L524 Q525 W526 L542 F546 V550 L574I490-F531 HydrophobicContact CD1-CE1 4.22Å; L524-F531 HydrophobicContact CD1-CB 3.96Å; L524-F531 HydrophobicContact CD1-CD1 4.24Å; L524-F531 HydrophobicContact CD1-CG 4.37Å; L524-F531 HydrophobicContact CD2-CD1 3.48Å; L524-F531 VanDerWaalsContact CD2-CD1 3.48Å; L524-F531 HydrophobicContact CD2-CE1 3.77Å; L524-F531 HydrophobicContact CD2-CG 4.15Å; L524-F531 HydrophobicContact CG-CB 4.37Å; L524-F531 HydrophobicContact CG-CD1 3.73Å; L524-F531 HydrophobicContact CG-CE1 4.43Å; L524-F531 HydrophobicContact CG-CG 4.35Å; Q525-F531 CarbonylContact O-C 3.58Å; Q525-F531 VanDerWaalsContact O-CA 3.29Å; Q525-F531 WeakPolarHBondContact O-CA 3.49Å; W526-F531 HydrophobicContact CB-CD1 4.17Å; W526-F531 HydrophobicContact CB-CE1 3.91Å; W526-F531 HydrophobicContact CD2-CE1 4.49Å; W526-F531 HydrophobicContact CE3-CD1 4.01Å; W526-F531 HydrophobicContact CE3-CD2 4.21Å; W526-F531 AromaticContact CE3-CE1 4Å; W526-F531 HydrophobicContact CE3-CE1 4Å; W526-F531 HydrophobicContact CE3-CE2 4.19Å; W526-F531 HydrophobicContact CE3-CG 4.13Å; W526-F531 HydrophobicContact CE3-CZ 4.09Å; W526-F531 HydrophobicContact CG-CE1 4.49Å; W526-F531 HydrophobicContact CZ3-CD2 4.43Å; W526-F531 HydrophobicContact CZ3-CE2 4.48Å; F531-L542 HydrophobicContact CB-CB 4.2Å; F531-L542 HydrophobicContact CB-CD1 4.06Å; F531-L542 HydrophobicContact CB-CG 4.5Å; F531-L542 WeakPolarHBondContact O-CA 3.49Å; F531-L542 VanDerWaalsContact O-CB 3.32Å; F531-L542 WeakPolarHBondContact O-CB 3.45Å; F531-L542 PolarHBondContact O-N 3.04Å; F531-F546 HydrophobicContact CZ-CD2 4.49Å; F531-V550 HydrophobicContact CE1-CG2 3.79Å; F531-V550 HydrophobicContact CZ-CG2 3.77Å; F531-L574 HydrophobicContact CD2-CD1 4.11Å; F531-L574 HydrophobicContact CD2-CD2 4.24Å; F531-L574 HydrophobicContact CE2-CD1 4.17Å; F531-L574 HydrophobicContact CG-CD1 4.36Å; F531-L574 HydrophobicContact CZ-CD1 4.48Å
532S95.3Very high92.6Very high1 Ų128.1 Ų28.11%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-132.4138.5171.3-67.20000109.5L524 Q525 E539L524-S532 CarbonylContact C-O 3.5Å; Q525-S532 PolarHBondContact N-O 3.21Å; Q525-S532 PolarHBondContact O-N 2.96Å; S532-E539 WeakPolarHBondContact CB-OE1 3.34Å; S532-E539 PolarHBondContact OG-OE1 2.78Å
533V96.5Very high92Very high0 Ų034.3 Ų34.30%020%0.199CC..EExtended strand (participates in β ladder)trans-93.4131.5172-178.80000109.3C523 L524 A540 L542 F563 R575 L577 F595C523-V533 WeakPolarHBondContact O-CA 3.42Å; L524-V533 HydrophobicContact CD1-CG2 3.69Å; V533-A540 PolarHBondContact N-O 2.87Å; V533-A540 PolarHBondContact O-N 3.41Å; V533-L542 HydrophobicContact CG2-CD1 3.92Å; V533-L542 HydrophobicContact CG2-CD2 4.36Å; V533-L542 HydrophobicContact CG2-CG 4.27Å; V533-F563 HydrophobicContact CG1-CE2 4.47Å; V533-F563 HydrophobicContact CG2-CD2 4.4Å; V533-R575 HydrophobicContact CG2-CB 3.91Å; V533-R575 HydrophobicContact CG2-CG 3.93Å; V533-L577 HydrophobicContact CG1-CD1 3.5Å; V533-L577 HydrophobicContact CG1-CD2 4.1Å; V533-L577 HydrophobicContact CG1-CG 4.25Å; V533-F595 HydrophobicContact CB-CZ 4.33Å; V533-F595 HydrophobicContact CG1-CZ 3.93Å
534W95.7Very high91.3Very high24 Ų2436.3 Ų36.39%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-114.2130.3177.7-72.683.2000110.7R517 C522 C523 L538 E539R517-W534 HydrophobicContact CG-CE3 4.14Å; R517-W534 HydrophobicContact CG-CZ3 4.34Å; C522-W534 WeakPolarHBondContact CA-O 3.43Å; C522-W534 PolarHBondContact SG-O 3.09Å; C522-W534 VanDerWaalsContact SG-O 3.39Å; C523-W534 PolarHBondContact N-O 2.92Å; C523-W534 VanDerWaalsContact N-O 3.11Å; C523-W534 PolarHBondContact O-N 3.24Å; W534-L538 WeakPolarHBondContact CA-O 3.48Å; W534-E539 HydrophobicContact CD2-CB 4.02Å; W534-E539 HydrophobicContact CD2-CG 4.24Å; W534-E539 HydrophobicContact CE3-CB 4.12Å; W534-E539 HydrophobicContact CH2-CB 3.75Å; W534-E539 HydrophobicContact CH2-CG 4.29Å; W534-E539 HydrophobicContact CZ2-CB 3.63Å; W534-E539 HydrophobicContact CZ2-CG 3.65Å; W534-E539 VanDerWaalsContact CZ2-OE2 3.25Å; W534-E539 WeakPolarHBondContact CZ2-OE2 3.36Å; W534-E539 HydrophobicContact CZ3-CB 3.99Å
535F94.9Very high90.6Very high1 Ų141 Ų410%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-148.9130.7170.4178.6-115.4000109.8G516 S521 C522 G537 L538 F595 H602 F603 L606G516-F535 CarbonylContact O-C 3.6Å; G516-F535 VanDerWaalsContact O-C 3.29Å; G516-F535 WeakPolarHBondContact O-CA 3.4Å; G516-F535 PolarHBondContact O-N 3.32Å; S521-F535 WeakPolarHBondContact O-CD2 3.49Å; C522-F535 HydrophobicContact CB-CD2 3.95Å; F535-G537 PolarHBondContact O-N 3.06Å; F535-G537 VanDerWaalsContact O-N 3.12Å; F535-L538 PolarHBondContact N-O 3.45Å; F535-L538 VanDerWaalsContact N-O 3.12Å; F535-L538 PolarHBondContact O-N 3.18Å; F535-F595 HydrophobicContact CB-CE2 4.13Å; F535-F595 HydrophobicContact CB-CZ 4.28Å; F535-H602 HydrophobicContact CE1-CB 4.07Å; F535-H602 HydrophobicContact CZ-CB 4.12Å; F535-F603 HydrophobicContact CD1-CD2 4.35Å; F535-F603 HydrophobicContact CD2-CD2 4.07Å; F535-F603 HydrophobicContact CD2-CE2 4.49Å; F535-F603 HydrophobicContact CE1-CB 4.12Å; F535-F603 HydrophobicContact CE1-CD2 4.18Å; F535-F603 AromaticContact CE2-CD2 3.9Å; F535-F603 HydrophobicContact CE2-CD2 3.9Å; F535-F603 HydrophobicContact CG-CD2 4.3Å; F535-F603 HydrophobicContact CZ-CB 4.2Å; F535-F603 AromaticContact CZ-CD2 3.96Å; F535-F603 HydrophobicContact CZ-CD2 3.96Å; F535-L606 HydrophobicContact CE2-CD2 4.37Å
536H92.4Very high90.2Very high51 Ų5144.2 Ų44.224%0.23625%0.254CS..THydrogen-bonded Turntrans5436.1174.3-155.9-52.9000113.5G516 N518 L538 R598G516-H536 PolarHBondContact O-N 2.92Å; G516-H536 VanDerWaalsContact O-N 3.08Å; N518-H536 VanDerWaalsContact O-CA 3.31Å; N518-H536 WeakPolarHBondContact O-CA 3.49Å; N518-H536 PolarHBondContact O-N 2.77Å; H536-L538 VanDerWaalsContact C-N 3.27Å; H536-L538 PolarHBondContact O-N 3.33Å; H536-R598 HydrophobicContact CB-CG 3.99Å; H536-R598 PolarHBondContact O-NH1 3.09Å; H536-R598 VanDerWaalsContact O-NH1 3.15Å
537G90.3Very high89.8Confident36 Ų3643 Ų4337%0.37125%0.251SS..THydrogen-bonded Turntrans78.12.9178.200000115.2G516 F535G516-G537 PolarHBondContact O-N 3.37Å; F535-G537 PolarHBondContact O-N 3.06Å; F535-G537 VanDerWaalsContact O-N 3.12Å
538L92.4Very high89.9Confident41 Ų4143.9 Ų43.922%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-101.4139.8174.1-62.4-178.1000110.3W534 F535 H536 P594 F595 R598W534-L538 WeakPolarHBondContact CA-O 3.48Å; F535-L538 PolarHBondContact N-O 3.45Å; F535-L538 VanDerWaalsContact N-O 3.12Å; F535-L538 PolarHBondContact O-N 3.18Å; H536-L538 VanDerWaalsContact C-N 3.27Å; H536-L538 PolarHBondContact O-N 3.33Å; L538-P594 HydrophobicContact CD1-CB 4.3Å; L538-P594 VanDerWaalsContact CD1-O 3.28Å; L538-P594 WeakPolarHBondContact CD1-O 3.16Å; L538-F595 HydrophobicContact CB-CD2 3.83Å; L538-R598 HydrophobicContact CD1-CB 3.83Å; L538-R598 HydrophobicContact CD1-CG 4.3Å
539E93.9Very high90.2Very high84 Ų8443.6 Ų43.639%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-102.2134.2176.8-172.7178-174.800110S532 W534S532-E539 WeakPolarHBondContact CB-OE1 3.34Å; S532-E539 PolarHBondContact OG-OE1 2.78Å; W534-E539 HydrophobicContact CD2-CB 4.02Å; W534-E539 HydrophobicContact CD2-CG 4.24Å; W534-E539 HydrophobicContact CE3-CB 4.12Å; W534-E539 HydrophobicContact CH2-CB 3.75Å; W534-E539 HydrophobicContact CH2-CG 4.29Å; W534-E539 HydrophobicContact CZ2-CB 3.63Å; W534-E539 HydrophobicContact CZ2-CG 3.65Å; W534-E539 VanDerWaalsContact CZ2-OE2 3.25Å; W534-E539 WeakPolarHBondContact CZ2-OE2 3.36Å; W534-E539 HydrophobicContact CZ3-CB 3.99Å
540A93.5Very high90.8Very high13 Ų1338.5 Ų38.511%0.10723%0.23CC..EExtended strand (participates in β ladder)trans-120103165.900000109V533 F595V533-A540 PolarHBondContact N-O 2.87Å; V533-A540 PolarHBondContact O-N 3.41Å; A540-F595 HydrophobicContact CB-CB 4.37Å; A540-F595 HydrophobicContact CB-CD1 3.73Å; A540-F595 HydrophobicContact CB-CD2 3.69Å; A540-F595 HydrophobicContact CB-CE1 3.85Å; A540-F595 HydrophobicContact CB-CE2 3.81Å; A540-F595 HydrophobicContact CB-CG 3.66Å; A540-F595 HydrophobicContact CB-CZ 3.89Å
541P90.6Very high91Very high91 Ų9137.2 Ų37.259%0.59122%0.221SC*.EExtended strand (participates in β ladder)trans-68.1143.8179.528.5-33.9000110.8
542L90.2Very high91Very high11 Ų1137.1 Ų37.16%0.05822%0.221CC..  trans-108.9136.9176.6-54.8-178.6000109.7L524 F531 V533 N544 L574 R575L524-L542 HydrophobicContact CD1-CD1 3.64Å; F531-L542 HydrophobicContact CB-CB 4.2Å; F531-L542 HydrophobicContact CB-CD1 4.06Å; F531-L542 HydrophobicContact CB-CG 4.5Å; F531-L542 WeakPolarHBondContact O-CA 3.49Å; F531-L542 VanDerWaalsContact O-CB 3.32Å; F531-L542 WeakPolarHBondContact O-CB 3.45Å; F531-L542 PolarHBondContact O-N 3.04Å; V533-L542 HydrophobicContact CG2-CD1 3.92Å; V533-L542 HydrophobicContact CG2-CD2 4.36Å; V533-L542 HydrophobicContact CG2-CG 4.27Å; L542-N544 PolarHBondContact O-N 3.14Å; L542-L574 HydrophobicContact CD1-CB 3.97Å; L542-R575 HydrophobicContact CD1-CB 3.84Å; L542-R575 HydrophobicContact CD2-CB 3.94Å; L542-R575 HydrophobicContact CD2-CG 4.24Å
543P83Confident91Very high131 Ų13137.2 Ų37.285%0.85122%0.221SC*.  trans-75.6-0.3179.732.4-35.9000113.3
544N83.3Confident91Very high41 Ų4137.2 Ų37.222%0.21922%0.221CC..PPolyproline II helixtrans-71.2140.5-173-60.182.5000112.1L542 L574L542-N544 PolarHBondContact O-N 3.14Å; N544-L574 HydrophobicContact CB-CD2 3.33Å; N544-L574 VanDerWaalsContact CG-CD2 3.47Å
545P82.4Confident90.9Very high103 Ų10337.2 Ų37.267%0.66922%0.222SC*.PPolyproline II helixtrans-69.1164.8177.930.6-36000111.8S547P545-S547 PolarHBondContact O-N 2.73Å
546F87.1Confident90.6Very high75 Ų7538.7 Ų38.733%0.32923%0.228SC..PPolyproline II helixtrans-54.8135176-178.5-120.1000112.2I490 W526 F531 P548 R567I490-F546 HydrophobicContact CB-CE2 4.45Å; I490-F546 HydrophobicContact CB-CZ 4.45Å; I490-F546 HydrophobicContact CG2-CE2 4.29Å; I490-F546 HydrophobicContact CG2-CZ 4.39Å; W526-F546 AromaticContact CD1-CE2 3.98Å; W526-F546 AromaticContact CD2-CD2 3.5Å; W526-F546 HydrophobicContact CD2-CD2 3.5Å; W526-F546 AromaticContact CD2-CE2 3.88Å; W526-F546 HydrophobicContact CD2-CE2 3.88Å; W526-F546 AromaticContact CE2-CD2 3.25Å; W526-F546 AromaticContact CE2-CE2 3.63Å; W526-F546 AromaticContact CE3-CD2 3.74Å; W526-F546 HydrophobicContact CE3-CD2 3.74Å; W526-F546 HydrophobicContact CE3-CE2 4.5Å; W526-F546 HydrophobicContact CG-CD2 4.23Å; W526-F546 HydrophobicContact CG-CE2 4.13Å; W526-F546 HydrophobicContact CH2-CB 3.44Å; W526-F546 VanDerWaalsContact CH2-CB 3.44Å; W526-F546 AromaticContact CH2-CD2 3.64Å; W526-F546 HydrophobicContact CH2-CD2 3.64Å; W526-F546 AromaticContact CH2-CG 3.87Å; W526-F546 HydrophobicContact CH2-CG 3.87Å; W526-F546 HydrophobicContact CZ2-CB 3.83Å; W526-F546 AromaticContact CZ2-CD2 3.34Å; W526-F546 HydrophobicContact CZ2-CD2 3.34Å; W526-F546 HydrophobicContact CZ2-CE2 4.1Å; W526-F546 AromaticContact CZ2-CG 3.74Å; W526-F546 HydrophobicContact CZ2-CG 3.74Å; W526-F546 HydrophobicContact CZ3-CB 3.88Å; W526-F546 AromaticContact CZ3-CD2 3.79Å; W526-F546 HydrophobicContact CZ3-CD2 3.79Å; W526-F546 HydrophobicContact CZ3-CG 4.3Å; W526-F546 AromaticContact NE1-CD2 3.79Å; W526-F546 AromaticContact NE1-CE2 3.64Å; F531-F546 HydrophobicContact CZ-CD2 4.49Å; F546-P548 HydrophobicContact CE1-CB 4.25Å; F546-P548 HydrophobicContact CZ-CB 4.42Å; F546-R567 PolarHBondContact O-NH2 3.17Å
547S86.9Confident90.3Very high3 Ų340.5 Ų40.52%0.02125%0.251CS..  trans-125.5124.2170.1-174.20000108.9P545 T549 A565 V566P545-S547 PolarHBondContact O-N 2.73Å; S547-T549 PolarHBondContact O-N 3.31Å; S547-T549 PolarHBondContact OG-O 3.44Å; S547-A565 VanDerWaalsContact CB-CB 3.43Å; S547-A565 WeakPolarHBondContact OG-CB 3.41Å; S547-V566 PolarHBondContact OG-N 2.83Å; S547-V566 PolarHBondContact OG-O 2.74Å
548P88Confident90.2Very high47 Ų4742.6 Ų42.631%0.30525%0.254SS..SBendtrans-66.7-26.1179.128.1-34.3000111.4E489 I490 F546E489-P548 CarbonylContact C-O 3.58Å; E489-P548 VanDerWaalsContact CA-O 3.29Å; E489-P548 WeakPolarHBondContact CA-O 3.36Å; I490-P548 PolarHBondContact N-O 3.16Å; F546-P548 HydrophobicContact CE1-CB 4.25Å; F546-P548 HydrophobicContact CZ-CB 4.42Å
549T92.1Very high90.2Very high26 Ų2646.9 Ų46.916%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-115.6128.3175.1-50.60000110.3E487 V488 S547 V566E487-T549 HydrophobicContact CB-CG2 4.02Å; E487-T549 HydrophobicContact CG-CG2 4.41Å; V488-T549 CarbonylContact O-C 3.53Å; V488-T549 WeakPolarHBondContact O-CA 3.38Å; S547-T549 PolarHBondContact O-N 3.31Å; S547-T549 PolarHBondContact OG-O 3.44Å; T549-V566 HydrophobicContact CG2-CB 4.01Å; T549-V566 HydrophobicContact CG2-CG2 4.45Å; T549-V566 PolarHBondContact O-N 2.79Å
550V94.1Very high90.2Very high1 Ų142.9 Ų42.91%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-113.1123.3175.6177.30000108.8E487 V488 I490 L524 F531 V552 Y564E487-V550 CarbonylContact C-O 3.57Å; E487-V550 WeakPolarHBondContact CA-O 3.49Å; V488-V550 PolarHBondContact N-O 3.4Å; V488-V550 PolarHBondContact O-N 3.49Å; I490-V550 HydrophobicContact CD1-CG2 3.86Å; L524-V550 HydrophobicContact CD2-CG1 3.64Å; L524-V550 HydrophobicContact CD2-CG2 4.24Å; F531-V550 HydrophobicContact CE1-CG2 3.79Å; F531-V550 HydrophobicContact CZ-CG2 3.77Å; V550-V552 HydrophobicContact CG1-CG2 4.43Å; V550-Y564 CarbonylContact C-O 3.11Å; V550-Y564 WeakPolarHBondContact CA-O 3.46Å
551G93.6Very high90.3Very high0 Ų042.2 Ų42.20%024%0.244CC..EExtended strand (participates in β ladder)trans-91.7133.3169.900000110.6W486 F563 Y564W486-G551 CarbonylContact O-C 3.56Å; W486-G551 WeakPolarHBondContact O-CA 3.34Å; G551-F563 CarbonylContact O-C 3.57Å; G551-F563 WeakPolarHBondContact O-CA 3.37Å; G551-Y564 PolarHBondContact N-O 3.4Å; G551-Y564 PolarHBondContact O-N 3.39Å
552V95.7Very high90.5Very high0 Ų037.9 Ų37.90%022%0.216CC..EExtended strand (participates in β ladder)trans-115.6124.1176.4-171.80000108.4Y485 W486 V497 V550 L561 F563Y485-V552 CarbonylContact C-O 3.58Å; Y485-V552 VanDerWaalsContact CA-O 3.25Å; Y485-V552 WeakPolarHBondContact CA-O 3.32Å; Y485-V552 VanDerWaalsContact CD2-O 3.28Å; Y485-V552 WeakPolarHBondContact CD2-O 3.4Å; W486-V552 HydrophobicContact CD2-CB 4.05Å; W486-V552 HydrophobicContact CG-CB 4.49Å; W486-V552 HydrophobicContact CH2-CB 4.36Å; W486-V552 HydrophobicContact CH2-CG1 3.79Å; W486-V552 HydrophobicContact CZ2-CB 3.79Å; W486-V552 HydrophobicContact CZ2-CG1 3.45Å; W486-V552 VanDerWaalsContact CZ2-CG1 3.45Å; W486-V552 HydrophobicContact CZ2-CG2 4.4Å; W486-V552 HydrophobicContact CZ3-CG1 4.45Å; W486-V552 PolarHBondContact N-O 2.84Å; W486-V552 PolarHBondContact O-N 2.97Å; V497-V552 HydrophobicContact CG1-CG2 3.83Å; V550-V552 HydrophobicContact CG1-CG2 4.43Å; V552-L561 HydrophobicContact CG1-CD1 3.73Å; V552-F563 HydrophobicContact CG1-CD1 4.24Å; V552-F563 HydrophobicContact CG1-CE1 3.99Å; V552-F563 HydrophobicContact CG2-CD1 4.06Å; V552-F563 HydrophobicContact CG2-CE1 4.19Å
553C95.2Very high90.8Very high2 Ų237.4 Ų37.41%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-116.3117175.6-170.90000109.5Y484 Y485 L561 A562 Y564Y484-C553 CarbonylContact O-C 3.56Å; Y484-C553 WeakPolarHBondContact O-CA 2.98Å; Y485-C553 HydrophobicContact CD2-CB 4.07Å; C553-L561 WeakPolarHBondContact O-CA 3.47Å; C553-A562 HydrophobicContact CB-CB 4.32Å; C553-A562 PolarHBondContact N-O 3.1Å; C553-A562 PolarHBondContact O-N 2.91Å; C553-Y564 HydrophobicContact CB-CD2 4.46Å; C553-Y564 HydrophobicContact CB-CE2 3.78Å
554L95.2Very high91.3Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-106118.3175.4-179.571.8000109.1L479 T483 Y484 W486 Y556 L561 F607 L611L479-L554 HydrophobicContact CB-CD2 3.93Å; L479-L554 HydrophobicContact CD1-CD2 3.56Å; L479-L554 HydrophobicContact CG-CD2 4.41Å; T483-L554 CarbonylContact C-O 3.56Å; T483-L554 VanDerWaalsContact CA-O 3.28Å; T483-L554 WeakPolarHBondContact CA-O 3.38Å; Y484-L554 HydrophobicContact CD2-CD2 4.37Å; Y484-L554 PolarHBondContact N-O 3.38Å; Y484-L554 PolarHBondContact O-N 3.43Å; W486-L554 HydrophobicContact CH2-CB 4.21Å; W486-L554 HydrophobicContact CZ3-CB 4.1Å; L554-Y556 HydrophobicContact CD2-CD2 4.29Å; L554-L561 HydrophobicContact CB-CD1 4.26Å; L554-L561 HydrophobicContact CD1-CD1 3.94Å; L554-F607 HydrophobicContact CD1-CE1 3.67Å; L554-F607 HydrophobicContact CD1-CZ 4.16Å; L554-L611 HydrophobicContact CD1-CD1 4.07Å; L554-L611 HydrophobicContact CD2-CB 4.47Å; L554-L611 HydrophobicContact CD2-CD1 4.25Å
555E93.4Very high91.7Very high24 Ų2430.6 Ų30.611%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-109.796.3175.3-66.9164-14500108.9T483 A557 D558 R559 A560 R576T483-E555 HydrophobicContact CG2-CG 3.81Å; E555-A557 PolarHBondContact O-N 3.18Å; E555-D558 HydrophobicContact CB-CB 4.13Å; E555-D558 PolarHBondContact O-N 3.45Å; E555-R559 PolarHBondContact O-N 2.78Å; E555-A560 HydrophobicContact CB-CB 4.25Å; E555-A560 PolarHBondContact N-O 2.82Å; E555-A560 PolarHBondContact O-N 3.16Å; E555-R576 IonicContact OE1-CZ 3.15Å; E555-R576 IonicContact OE1-NH2 2.65Å; E555-R576 PolarHBondContact OE1-NH2 3.46Å; E555-R576 IonicContact OE2-CZ 2.81Å; E555-R576 IonicContact OE2-NH2 2.99Å; E555-R576 PolarHBondContact OE2-NH2 3.19Å
556Y89.8Confident92Very high32 Ų3226.1 Ų26.113%0.12514%0.14CC..THydrogen-bonded Turntrans-68.1-39.9-170.6-149.2-76.9000112.2L479 D480 G482 L554 R559 F607 H609 L611L479-Y556 WeakPolarHBondContact O-CE2 3.34Å; D480-Y556 WeakPolarHBondContact O-CD1 3.5Å; D480-Y556 WeakPolarHBondContact O-CE1 3.48Å; G482-Y556 WeakPolarHBondContact O-CB 3.45Å; G482-Y556 PolarHBondContact O-N 3.47Å; L554-Y556 HydrophobicContact CD2-CD2 4.29Å; Y556-R559 PolarHBondContact O-N 2.74Å; Y556-F607 HydrophobicContact CD1-CD1 4.41Å; Y556-F607 HydrophobicContact CD2-CD1 4.28Å; Y556-F607 HydrophobicContact CE1-CB 4.33Å; Y556-F607 WeakPolarHBondContact CE1-O 3.43Å; Y556-F607 HydrophobicContact CE2-CD1 4.45Å; Y556-F607 HydrophobicContact CG-CD1 4.27Å; Y556-F607 PolarHBondContact OH-O 3.06Å; Y556-H609 PolarHBondContact OH-O 3.04Å; Y556-L611 HydrophobicContact CE2-CD1 4.25Å; Y556-L611 HydrophobicContact CE2-CG 4.22Å
557A86.6Confident91.8Very high89 Ų8929.2 Ų29.274%0.73615%0.149SC*.THydrogen-bonded Turntrans-66.8-38.8179.800000112.5E555 R559E555-A557 PolarHBondContact O-N 3.18Å; A557-R559 VanDerWaalsContact C-N 3.31Å
558D87.3Confident91.3Very high81 Ų8136.5 Ų36.543%0.43319%0.188SC..THydrogen-bonded Turntrans-86.3-2.2179.4-78.4-62.1000113.6E555 A560 K578E555-D558 HydrophobicContact CB-CB 4.13Å; E555-D558 PolarHBondContact O-N 3.45Å; D558-A560 HydrophobicContact CB-CB 4.37Å; D558-A560 PolarHBondContact O-N 3.13Å; D558-K578 WeakPolarHBondContact O-CE 3.34Å; D558-K578 IonicContact OD1-NZ 2.97Å
559R92.5Very high90.4Very high130 Ų13036.2 Ų36.249%0.49119%0.194SC..THydrogen-bonded Turntrans49.848.7-175.6-56.3-179.2-170.6-175.5-1.9111E555 Y556 A557 A579 F607E555-R559 PolarHBondContact O-N 2.78Å; Y556-R559 PolarHBondContact O-N 2.74Å; A557-R559 VanDerWaalsContact C-N 3.31Å; R559-A579 HydrophobicContact CB-CB 3.88Å; R559-A579 PolarHBondContact O-N 3.29Å; R559-A579 VanDerWaalsContact O-N 3.11Å; R559-F607 HydrophobicContact CB-CD1 4.38Å; R559-F607 HydrophobicContact CB-CD2 3.74Å; R559-F607 HydrophobicContact CB-CE2 3.93Å; R559-F607 HydrophobicContact CB-CG 4Å; R559-F607 HydrophobicContact CB-CZ 4.32Å; R559-F607 HydrophobicContact CG-CB 4.12Å; R559-F607 HydrophobicContact CG-CD1 4.47Å; R559-F607 HydrophobicContact CG-CD2 4.15Å; R559-F607 HydrophobicContact CG-CG 4Å
560A93Very high89.9Confident0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-125.4143.4-176.700000111.8E555 D558 L577 K578E555-A560 HydrophobicContact CB-CB 4.25Å; E555-A560 PolarHBondContact N-O 2.82Å; E555-A560 PolarHBondContact O-N 3.16Å; D558-A560 HydrophobicContact CB-CB 4.37Å; D558-A560 PolarHBondContact O-N 3.13Å; A560-L577 CarbonylContact C-O 3.48Å; A560-L577 WeakPolarHBondContact CA-O 3.49Å; A560-K578 HydrophobicContact CB-CB 4.15Å; A560-K578 HydrophobicContact CB-CD 4.37Å; A560-K578 HydrophobicContact CB-CG 4.08Å
561L96.1Very high89.5Confident0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-130122.5173.3-178.763.9000107.7V499 C522 V552 C553 L554 F563 L577 F603V499-L561 HydrophobicContact CG1-CD1 4.43Å; V499-L561 HydrophobicContact CG2-CD2 3.88Å; C522-L561 HydrophobicContact CB-CD2 4.09Å; V552-L561 HydrophobicContact CG1-CD1 3.73Å; C553-L561 WeakPolarHBondContact O-CA 3.47Å; L554-L561 HydrophobicContact CB-CD1 4.26Å; L554-L561 HydrophobicContact CD1-CD1 3.94Å; L561-F563 HydrophobicContact CD1-CZ 4.49Å; L561-F563 HydrophobicContact CD2-CE1 4.49Å; L561-F563 HydrophobicContact CD2-CE2 3.91Å; L561-F563 HydrophobicContact CD2-CZ 3.57Å; L561-F563 HydrophobicContact CG-CE2 3.98Å; L561-F563 HydrophobicContact CG-CZ 3.87Å; L561-L577 PolarHBondContact N-O 3.46Å; L561-L577 PolarHBondContact O-N 3.12Å; L561-F603 HydrophobicContact CB-CZ 3.91Å
562A95.4Very high89.3Confident0 Ų046.3 Ų46.30%024%0.242CC..EExtended strand (participates in β ladder)trans-121.8139.9179.800000111.1C553 Y564 L573 R575 R576C553-A562 HydrophobicContact CB-CB 4.32Å; C553-A562 PolarHBondContact N-O 3.1Å; C553-A562 PolarHBondContact O-N 2.91Å; A562-Y564 HydrophobicContact CB-CD2 4.46Å; A562-Y564 HydrophobicContact CB-CE2 3.57Å; A562-L573 HydrophobicContact CB-CD1 4.11Å; A562-R575 CarbonylContact C-O 3.51Å; A562-R575 WeakPolarHBondContact CA-O 3.24Å; A562-R576 HydrophobicContact CB-CB 4.21Å; A562-R576 HydrophobicContact CB-CG 4.07Å
563F96.2Very high89.1Confident0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-114.4137.2176.5-60.2-78.4000109.5L524 V533 G551 V552 L561 L574 R575 L577L524-F563 HydrophobicContact CB-CD1 3.54Å; L524-F563 HydrophobicContact CB-CD2 4.14Å; L524-F563 HydrophobicContact CB-CE1 3.61Å; L524-F563 HydrophobicContact CB-CE2 4.19Å; L524-F563 HydrophobicContact CB-CG 3.81Å; L524-F563 HydrophobicContact CB-CZ 3.94Å; L524-F563 HydrophobicContact CD1-CB 4.29Å; L524-F563 HydrophobicContact CD1-CD2 4.35Å; L524-F563 HydrophobicContact CD1-CG 4.23Å; L524-F563 HydrophobicContact CD2-CB 4.05Å; L524-F563 HydrophobicContact CD2-CD1 4.17Å; L524-F563 HydrophobicContact CD2-CG 4.22Å; L524-F563 HydrophobicContact CG-CD1 4.36Å; L524-F563 HydrophobicContact CG-CG 4.32Å; V533-F563 HydrophobicContact CG1-CE2 4.47Å; V533-F563 HydrophobicContact CG2-CD2 4.4Å; G551-F563 CarbonylContact O-C 3.57Å; G551-F563 WeakPolarHBondContact O-CA 3.37Å; V552-F563 HydrophobicContact CG1-CD1 4.24Å; V552-F563 HydrophobicContact CG1-CE1 3.99Å; V552-F563 HydrophobicContact CG2-CD1 4.06Å; V552-F563 HydrophobicContact CG2-CE1 4.19Å; L561-F563 HydrophobicContact CD1-CZ 4.49Å; L561-F563 HydrophobicContact CD2-CE1 4.49Å; L561-F563 HydrophobicContact CD2-CE2 3.91Å; L561-F563 HydrophobicContact CD2-CZ 3.57Å; L561-F563 HydrophobicContact CG-CE2 3.98Å; L561-F563 HydrophobicContact CG-CZ 3.87Å; F563-L574 HydrophobicContact CB-CB 4.22Å; F563-L574 HydrophobicContact CB-CD1 4.47Å; F563-L574 WeakPolarHBondContact O-CA 3.45Å; F563-L574 WeakPolarHBondContact O-CB 3.3Å; F563-L574 PolarHBondContact O-N 2.8Å; F563-R575 PolarHBondContact N-O 3.12Å; F563-R575 PolarHBondContact O-N 2.95Å; F563-L577 HydrophobicContact CE2-CD1 4.42Å
564Y93.3Very high88.9Confident22 Ų2250.5 Ų50.59%0.08626%0.264CS..EExtended strand (participates in β ladder)trans-128.9142.4-177.3-61.4-93.2000110.2F425 V550 G551 C553 A562 M571 S572 L573F425-Y564 HydrophobicContact CE1-CE1 4.45Å; F425-Y564 HydrophobicContact CE1-CE2 4Å; F425-Y564 AromaticContact CE1-CZ 3.74Å; F425-Y564 HydrophobicContact CE2-CE1 4.38Å; F425-Y564 AromaticContact CZ-CE1 3.85Å; F425-Y564 HydrophobicContact CZ-CE1 3.85Å; F425-Y564 HydrophobicContact CZ-CE2 4.21Å; F425-Y564 AromaticContact CZ-CZ 3.57Å; F425-Y564 WeakPolarHBondContact CZ-OH 3.45Å; V550-Y564 CarbonylContact C-O 3.11Å; V550-Y564 WeakPolarHBondContact CA-O 3.46Å; G551-Y564 PolarHBondContact N-O 3.4Å; G551-Y564 PolarHBondContact O-N 3.39Å; C553-Y564 HydrophobicContact CB-CD2 4.46Å; C553-Y564 HydrophobicContact CB-CE2 3.78Å; A562-Y564 HydrophobicContact CB-CD2 4.46Å; A562-Y564 HydrophobicContact CB-CE2 3.57Å; Y564-M571 HydrophobicContact CD1-CE 3.76Å; Y564-M571 HydrophobicContact CD2-CE 3.84Å; Y564-M571 HydrophobicContact CE1-CE 4.41Å; Y564-M571 HydrophobicContact CE2-CE 4.47Å; Y564-M571 HydrophobicContact CG-CE 3.44Å; Y564-M571 VanDerWaalsContact CG-CE 3.44Å; Y564-S572 CarbonylContact C-O 3.54Å; Y564-S572 WeakPolarHBondContact CA-O 3.22Å; Y564-L573 HydrophobicContact CD1-CB 4.11Å; Y564-L573 HydrophobicContact CD1-CD1 3.99Å; Y564-L573 HydrophobicContact CE1-CB 3.98Å; Y564-L573 HydrophobicContact CE1-CD1 3.52Å; Y564-L573 HydrophobicContact CE1-CG 4.34Å; Y564-L573 HydrophobicContact CE2-CD1 4.3Å
565A92.1Very high88.9Confident7 Ų753.7 Ų53.76%0.05828%0.276CS..EExtended strand (participates in β ladder)trans-88.6128.1164.200000108.3S547 M571 S572 L574S547-A565 VanDerWaalsContact CB-CB 3.43Å; S547-A565 WeakPolarHBondContact OG-CB 3.41Å; A565-M571 WeakPolarHBondContact O-CA 3Å; A565-S572 WeakPolarHBondContact CB-OG 3.35Å; A565-S572 PolarHBondContact N-O 3.12Å; A565-S572 PolarHBondContact O-N 2.86Å; A565-S572 PolarHBondContact O-OG 3.01Å; A565-L574 HydrophobicContact CB-CD1 4.14Å; A565-L574 HydrophobicContact CB-CD2 3.73Å; A565-L574 HydrophobicContact CB-CG 3.97Å
566V88.3Confident88.8Confident9 Ų955.1 Ų55.16%0.05528%0.28CS..EExtended strand (participates in β ladder)trans-112.8114.1-179.2-170.80000108.5S547 T549 K570 M571S547-V566 PolarHBondContact OG-N 2.83Å; S547-V566 PolarHBondContact OG-O 2.74Å; T549-V566 HydrophobicContact CG2-CB 4.01Å; T549-V566 HydrophobicContact CG2-CG2 4.45Å; T549-V566 PolarHBondContact O-N 2.79Å; V566-K570 WeakPolarHBondContact CA-O 3.37Å; V566-M571 HydrophobicContact CG1-CG 4.46Å; V566-M571 HydrophobicContact CG2-CG 4.18Å
567R83.7Confident89Confident140 Ų14053.6 Ų53.653%0.52827%0.274SS..EExtended strand (participates in β ladder)trans-138.3125.4178.5-168.8-176.9-75.5-148.81109.8F546 G569 K570F546-R567 PolarHBondContact O-NH2 3.17Å; R567-G569 PolarHBondContact O-N 2.9Å; R567-G569 VanDerWaalsContact O-N 3.09Å; R567-K570 PolarHBondContact N-O 2.73Å; R567-K570 WeakPolarHBondContact O-CB 3.47Å; R567-K570 PolarHBondContact O-N 3.36Å
568D75.1Confident89.2Confident157 Ų15753.7 Ų53.784%0.8426%0.258SS*.THydrogen-bonded Turntrans50.535.8179.2-55.9-44000114.4K570D568-K570 PolarHBondContact O-N 3.03Å
569G70.3Confident89Confident41 Ų4150.6 Ų50.642%0.42324%0.243SC..THydrogen-bonded Turntrans79-4.8-178.800000115.2R422 R567R422-G569 WeakPolarHBondContact CB-O 3.15Å; R567-G569 PolarHBondContact O-N 2.9Å; R567-G569 VanDerWaalsContact O-N 3.09Å
570K80.6Confident88.2Confident174 Ų17447.1 Ų47.176%0.75724%0.239SC*.EExtended strand (participates in β ladder)trans-85.6139.2169.9-62.8-176.7179.4-178.40110V566 R567 D568V566-K570 WeakPolarHBondContact CA-O 3.37Å; R567-K570 PolarHBondContact N-O 2.73Å; R567-K570 WeakPolarHBondContact O-CB 3.47Å; R567-K570 PolarHBondContact O-N 3.36Å; D568-K570 PolarHBondContact O-N 3.03Å
571M85.9Confident86.6Confident14 Ų1458 Ų587%0.06928%0.28CS..EExtended strand (participates in β ladder)trans-113.3122.5176.3-72.1-172.964.300109.5R422 F425 Y485 Y564 A565 V566R422-M571 VanDerWaalsContact CA-SD 3.54Å; R422-M571 HydrophobicContact CB-CG 3.98Å; R422-M571 HydrophobicContact CB-SD 3.82Å; R422-M571 HydrophobicContact CG-CG 4.21Å; R422-M571 HydrophobicContact CG-SD 3.85Å; F425-M571 HydrophobicContact CB-CE 4.39Å; F425-M571 HydrophobicContact CB-SD 4.3Å; F425-M571 HydrophobicContact CD2-CE 3.54Å; F425-M571 HydrophobicContact CD2-SD 3.41Å; F425-M571 WeakPolarHBondContact CD2-SD 3.25Å; F425-M571 HydrophobicContact CE2-CE 3.83Å; F425-M571 HydrophobicContact CE2-SD 4Å; F425-M571 HydrophobicContact CG-CE 3.9Å; F425-M571 HydrophobicContact CG-SD 4.09Å; F425-M571 HydrophobicContact CZ-CE 4.45Å; Y485-M571 HydrophobicContact CE2-CE 3.74Å; Y485-M571 VanDerWaalsContact OH-CE 3.3Å; Y485-M571 WeakPolarHBondContact OH-CE 3.44Å; Y564-M571 HydrophobicContact CD1-CE 3.76Å; Y564-M571 HydrophobicContact CD2-CE 3.84Å; Y564-M571 HydrophobicContact CE1-CE 4.41Å; Y564-M571 HydrophobicContact CE2-CE 4.47Å; Y564-M571 HydrophobicContact CG-CE 3.44Å; Y564-M571 VanDerWaalsContact CG-CE 3.44Å; A565-M571 WeakPolarHBondContact O-CA 3Å; V566-M571 HydrophobicContact CG1-CG 4.46Å; V566-M571 HydrophobicContact CG2-CG 4.18Å
572S89.8Confident84.3Confident50 Ų5064.3 Ų64.335%0.3532%0.321SS..EExtended strand (participates in β ladder)trans-110.9131170.653.20000109.6Y564 A565 L574Y564-S572 CarbonylContact C-O 3.54Å; Y564-S572 WeakPolarHBondContact CA-O 3.22Å; A565-S572 WeakPolarHBondContact CB-OG 3.35Å; A565-S572 PolarHBondContact N-O 3.12Å; A565-S572 PolarHBondContact O-N 2.86Å; A565-S572 PolarHBondContact O-OG 3.01Å; S572-L574 PolarHBondContact O-N 2.92Å
573L91.8Very high82Confident79 Ų7975 Ų7541%0.41436%0.361SS..EExtended strand (participates in β ladder)trans-68.9121.4176.9179.468000109.3A562 Y564 R576A562-L573 HydrophobicContact CB-CD1 4.11Å; Y564-L573 HydrophobicContact CD1-CB 4.11Å; Y564-L573 HydrophobicContact CD1-CD1 3.99Å; Y564-L573 HydrophobicContact CE1-CB 3.98Å; Y564-L573 HydrophobicContact CE1-CD1 3.52Å; Y564-L573 HydrophobicContact CE1-CG 4.34Å; Y564-L573 HydrophobicContact CE2-CD1 4.3Å; L573-R576 HydrophobicContact CD1-CB 4.29Å; L573-R576 HydrophobicContact CD2-CB 4.35Å
574L91.6Very high79.4Confident12 Ų1286.9 Ų86.96%0.06341%0.406CS..EExtended strand (participates in β ladder)trans-82.5-56.2173-63.7175000109.8L524 F531 L542 N544 F563 A565 S572L524-L574 HydrophobicContact CD2-CD1 3.72Å; F531-L574 HydrophobicContact CD2-CD1 4.11Å; F531-L574 HydrophobicContact CD2-CD2 4.24Å; F531-L574 HydrophobicContact CE2-CD1 4.17Å; F531-L574 HydrophobicContact CG-CD1 4.36Å; F531-L574 HydrophobicContact CZ-CD1 4.48Å; L542-L574 HydrophobicContact CD1-CB 3.97Å; N544-L574 HydrophobicContact CB-CD2 3.33Å; N544-L574 VanDerWaalsContact CG-CD2 3.47Å; F563-L574 HydrophobicContact CB-CB 4.22Å; F563-L574 HydrophobicContact CB-CD1 4.47Å; F563-L574 WeakPolarHBondContact O-CA 3.45Å; F563-L574 WeakPolarHBondContact O-CB 3.3Å; F563-L574 PolarHBondContact O-N 2.8Å; A565-L574 HydrophobicContact CB-CD1 4.14Å; A565-L574 HydrophobicContact CB-CD2 3.73Å; A565-L574 HydrophobicContact CB-CG 3.97Å; S572-L574 PolarHBondContact O-N 2.92Å
575R93.5Very high77.3Confident67 Ų6789.6 Ų89.625%0.25344%0.44SS..EExtended strand (participates in β ladder)trans-157.7136.5177.7-176.665.4-166.9-129.90.6110.9V533 L542 A562 F563 L577V533-R575 HydrophobicContact CG2-CB 3.91Å; V533-R575 HydrophobicContact CG2-CG 3.93Å; L542-R575 HydrophobicContact CD1-CB 3.84Å; L542-R575 HydrophobicContact CD2-CB 3.94Å; L542-R575 HydrophobicContact CD2-CG 4.24Å; A562-R575 CarbonylContact C-O 3.51Å; A562-R575 WeakPolarHBondContact CA-O 3.24Å; F563-R575 PolarHBondContact N-O 3.12Å; F563-R575 PolarHBondContact O-N 2.95Å; R575-L577 HydrophobicContact CG-CD2 3.65Å; R575-L577 HydrophobicContact CG-CG 4.3Å
576R93.1Very high74.9Confident53 Ų5392 Ų9220%0.247%0.466CS..EExtended strand (participates in β ladder)trans-106.9130.1163.5-171.4167.7-170.6-179.71.5109.5E417 E555 A562 L573E417-R576 IonicContact OE1-CZ 3.8Å; E417-R576 IonicContact OE1-NH1 3.79Å; E417-R576 PolarHBondContact OE1-NH1 3.39Å; E417-R576 IonicContact OE2-CZ 3.65Å; E417-R576 IonicContact OE2-NH1 2.7Å; E417-R576 PolarHBondContact OE2-NH1 3.38Å; E555-R576 IonicContact OE1-CZ 3.15Å; E555-R576 IonicContact OE1-NH2 2.65Å; E555-R576 PolarHBondContact OE1-NH2 3.46Å; E555-R576 IonicContact OE2-CZ 2.81Å; E555-R576 IonicContact OE2-NH2 2.99Å; E555-R576 PolarHBondContact OE2-NH2 3.19Å; A562-R576 HydrophobicContact CB-CB 4.21Å; A562-R576 HydrophobicContact CB-CG 4.07Å; L573-R576 HydrophobicContact CD1-CB 4.29Å; L573-R576 HydrophobicContact CD2-CB 4.35Å
577L92.9Very high72.9Confident1 Ų199.3 Ų99.31%0.00550%0.503CS..EExtended strand (participates in β ladder)trans-109.4128.7171.7-54.6-179.8000107C522 V533 A560 L561 F563 R575 F595 L599 F603C522-L577 WeakPolarHBondContact SG-CD1 3.44Å; V533-L577 HydrophobicContact CG1-CD1 3.5Å; V533-L577 HydrophobicContact CG1-CD2 4.1Å; V533-L577 HydrophobicContact CG1-CG 4.25Å; A560-L577 CarbonylContact C-O 3.48Å; A560-L577 WeakPolarHBondContact CA-O 3.49Å; L561-L577 PolarHBondContact N-O 3.46Å; L561-L577 PolarHBondContact O-N 3.12Å; F563-L577 HydrophobicContact CE2-CD1 4.42Å; R575-L577 HydrophobicContact CG-CD2 3.65Å; R575-L577 HydrophobicContact CG-CG 4.3Å; L577-F595 HydrophobicContact CD2-CE1 4.11Å; L577-F595 HydrophobicContact CD2-CZ 4.33Å; L577-L599 HydrophobicContact CB-CD1 3.92Å; L577-L599 HydrophobicContact CD1-CD1 4.37Å; L577-L599 HydrophobicContact CD2-CD1 3.46Å; L577-L599 VanDerWaalsContact CD2-CD1 3.46Å; L577-L599 HydrophobicContact CG-CD1 4.08Å; L577-F603 HydrophobicContact CB-CE1 3.8Å; L577-F603 HydrophobicContact CB-CE2 4.25Å; L577-F603 HydrophobicContact CB-CZ 3.63Å; L577-F603 HydrophobicContact CD1-CE2 4.12Å; L577-F603 HydrophobicContact CD1-CZ 4.18Å
578K91.4Very high71Confident91 Ų9197.9 Ų97.940%0.39651%0.512SS..EExtended strand (participates in β ladder)trans-141.6133.8179.6-174.3166.7-171.91630109.3D558 A560 S580 L599D558-K578 WeakPolarHBondContact O-CE 3.34Å; D558-K578 IonicContact OD1-NZ 2.97Å; A560-K578 HydrophobicContact CB-CB 4.15Å; A560-K578 HydrophobicContact CB-CD 4.37Å; A560-K578 HydrophobicContact CB-CG 4.08Å; K578-S580 PolarHBondContact O-N 3.2Å; K578-L599 WeakPolarHBondContact O-CD2 3.44Å
579A82.8Confident69.5Low15 Ų1594.6 Ų94.612%0.12451%0.507CS..PPolyproline II helixtrans-64125.9174.900000110.1R559 F603 A604R559-A579 HydrophobicContact CB-CB 3.88Å; R559-A579 PolarHBondContact O-N 3.29Å; R559-A579 VanDerWaalsContact O-N 3.11Å; A579-F603 HydrophobicContact CB-CD1 4.34Å; A579-A604 HydrophobicContact CB-CB 3.86Å
580S75.5Confident68.6Low57 Ų5797.3 Ų97.340%0.39952%0.52SS..PPolyproline II helixtrans-70.8149.2175.445.20000111.2K578 D600K578-S580 PolarHBondContact O-N 3.2Å; S580-D600 VanDerWaalsContact CB-OD1 3.24Å; S580-D600 WeakPolarHBondContact CB-OD1 3.34Å; S580-D600 WeakPolarHBondContact OG-CA 3.34Å; S580-D600 VanDerWaalsContact OG-CB 3.22Å; S580-D600 WeakPolarHBondContact OG-CB 3.47Å; S580-D600 PolarHBondContact OG-OD1 3.37Å
581R58.4Low67Low230 Ų23095.1 Ų95.187%0.86852%0.523SS*.PPolyproline II helixtrans-77.3138170.7-69.3-178.4179.4175.70.6108.3R583R581-R583 PolarHBondContact O-N 3.03Å
582P49Very low65.9Low131 Ų13199.5 Ų99.585%0.85155%0.546SS*.PPolyproline II helixtrans-58.4116.8-179.421.3-30.8000110.3R584P582-R584 PolarHBondContact O-N 3.07Å
583R47.5Very low65.5Low226 Ų226101 Ų10185%0.85355%0.55SS*.  trans-74110.1-179.9-147.1176.6175.9-174.5-1.6108.2R581 G585R581-R583 PolarHBondContact O-N 3.03Å; R583-G585 PolarHBondContact O-N 3.38Å
584R41.3Very low65.1Low249 Ų249101.4 Ų101.494%0.9456%0.557SS**  trans-72.2108.6167.8-86.6-171.2-176.7-158.91.4108.5P582P582-R584 PolarHBondContact O-N 3.07Å
585G49.1Very low65Low78 Ų78101.2 Ų101.280%0.80456%0.556SS**SBendtrans66.7100.3161.200000115.8R583R583-G585 PolarHBondContact O-N 3.38Å
586G41.7Very low64.7Low59 Ų59100.8 Ų100.861%0.60856%0.557SS**  trans-178.5129.4167.700000111.3
587I45.7Very low64.4Low162 Ų162100.6 Ų100.683%0.83156%0.563SS**  trans-55135.8-176.3-59.9166.9000110.7A589I587-A589 PolarHBondContact O-N 3.42Å
588P45Very low64.1Low109 Ų109104.9 Ų104.971%0.70858%0.579SS**  trans-76.8123.917830.2-30.2000110.3
589A43.4Very low64Low89 Ų89100.7 Ų100.774%0.73656%0.561SS**  trans-110.5138.2166.800000108.8I587I587-A589 PolarHBondContact O-N 3.42Å
590S50.1Low64.2Low98 Ų98103 Ų10369%0.68557%0.571SS**SBendtrans90.5149178.798.60000116.7I592S590-I592 PolarHBondContact O-N 3.45Å; S590-I592 VanDerWaalsContact O-N 3.15Å
591P47.6Very low64.7Low127 Ų127104.2 Ų104.283%0.82558%0.58SS**  trans-64.7113.8172.127-30.9000108.1D593P591-D593 PolarHBondContact O-N 3.38Å
592I62.3Low66.2Low107 Ų10797.7 Ų97.755%0.54956%0.559SS.*  trans-66.3117.7-172.9-51.7173000108.3S590 P594S590-I592 PolarHBondContact O-N 3.45Å; S590-I592 VanDerWaalsContact O-N 3.15Å; I592-P594 VanDerWaalsContact O-CD 3.31Å; I592-P594 WeakPolarHBondContact O-CD 3.33Å; I592-P594 VanDerWaalsContact O-N 3.12Å
593D80.7Confident68.3Low82 Ų8291.4 Ų91.444%0.43952%0.518SS..  trans-50.7116.9167.7167.917.8000108.7P591 F595 Q596 S597P591-D593 PolarHBondContact O-N 3.38Å; D593-F595 PolarHBondContact O-N 3.21Å; D593-F595 PolarHBondContact OD1-N 3.09Å; D593-Q596 HydrophobicContact CB-CB 3.95Å; D593-Q596 PolarHBondContact O-N 3.36Å; D593-Q596 VanDerWaalsContact O-N 3.16Å; D593-Q596 WeakPolarHBondContact OD2-CB 3.31Å; D593-Q596 PolarHBondContact OD2-N 3.41Å; D593-S597 PolarHBondContact O-N 2.66Å
594P84.9Confident70.3Confident87 Ų8782.1 Ų82.157%0.56549%0.49SS*.Hα-helixtrans-55.2-35.1-177.2-26.234.2000113.1L538 I592 R598L538-P594 HydrophobicContact CD1-CB 4.3Å; L538-P594 VanDerWaalsContact CD1-O 3.28Å; L538-P594 WeakPolarHBondContact CD1-O 3.16Å; I592-P594 VanDerWaalsContact O-CD 3.31Å; I592-P594 WeakPolarHBondContact O-CD 3.33Å; I592-P594 VanDerWaalsContact O-N 3.12Å; P594-R598 WeakPolarHBondContact O-CB 3.31Å; P594-R598 PolarHBondContact O-N 3.16Å
595F88.6Confident72.7Confident7 Ų772.1 Ų72.13%0.03147%0.465CS..Hα-helixtrans-68.1-51178.4-177.9-88.2000110.7V533 F535 L538 A540 L577 D593 S597 R598 L599V533-F595 HydrophobicContact CB-CZ 4.33Å; V533-F595 HydrophobicContact CG1-CZ 3.93Å; F535-F595 HydrophobicContact CB-CE2 4.13Å; F535-F595 HydrophobicContact CB-CZ 4.28Å; L538-F595 HydrophobicContact CB-CD2 3.83Å; A540-F595 HydrophobicContact CB-CB 4.37Å; A540-F595 HydrophobicContact CB-CD1 3.73Å; A540-F595 HydrophobicContact CB-CD2 3.69Å; A540-F595 HydrophobicContact CB-CE1 3.85Å; A540-F595 HydrophobicContact CB-CE2 3.81Å; A540-F595 HydrophobicContact CB-CG 3.66Å; A540-F595 HydrophobicContact CB-CZ 3.89Å; L577-F595 HydrophobicContact CD2-CE1 4.11Å; L577-F595 HydrophobicContact CD2-CZ 4.33Å; D593-F595 PolarHBondContact O-N 3.21Å; D593-F595 PolarHBondContact OD1-N 3.09Å; F595-S597 PolarHBondContact O-N 3.38Å; F595-R598 PolarHBondContact O-N 3.03Å; F595-L599 HydrophobicContact CE1-CD1 3.77Å; F595-L599 HydrophobicContact CZ-CD1 4.34Å; F595-L599 WeakPolarHBondContact O-CB 3.28Å; F595-L599 PolarHBondContact O-N 3.3Å
596Q87.8Confident74.7Confident59 Ų5968.5 Ų68.528%0.27643%0.427SS..Hα-helixtrans-61.2-42.2179.1-169.957.350.400112.1D593 R598 L599 D600D593-Q596 HydrophobicContact CB-CB 3.95Å; D593-Q596 PolarHBondContact O-N 3.36Å; D593-Q596 VanDerWaalsContact O-N 3.16Å; D593-Q596 WeakPolarHBondContact OD2-CB 3.31Å; D593-Q596 PolarHBondContact OD2-N 3.41Å; Q596-R598 VanDerWaalsContact C-N 3.3Å; Q596-R598 PolarHBondContact O-N 3.06Å; Q596-L599 PolarHBondContact O-N 3.25Å; Q596-D600 PolarHBondContact NE2-OD1 2.86Å; Q596-D600 PolarHBondContact NE2-OD2 3.47Å; Q596-D600 WeakPolarHBondContact O-CB 3.43Å; Q596-D600 PolarHBondContact O-N 3.05Å
597S85.8Confident77.1Confident48 Ų4866.4 Ų66.434%0.33640%0.401SS..Hα-helixtrans-54.8-45.4174-168.90000112.8D593 F595 D600 S601D593-S597 PolarHBondContact O-N 2.66Å; F595-S597 PolarHBondContact O-N 3.38Å; S597-D600 PolarHBondContact O-N 2.87Å; S597-S601 WeakPolarHBondContact O-CB 3.39Å; S597-S601 PolarHBondContact O-N 3.17Å; S597-S601 VanDerWaalsContact O-N 3.08Å; S597-S601 PolarHBondContact O-OG 2.96Å
598R88.3Confident79.3Confident92 Ų9262.8 Ų62.835%0.34740%0.395SS..Hα-helixtrans-72.2-39.2-178.1-169.3159.9-65.7-169.3-3.8111.6H536 L538 P594 F595 Q596 S601 H602H536-R598 HydrophobicContact CB-CG 3.99Å; H536-R598 PolarHBondContact O-NH1 3.09Å; H536-R598 VanDerWaalsContact O-NH1 3.15Å; L538-R598 HydrophobicContact CD1-CB 3.83Å; L538-R598 HydrophobicContact CD1-CG 4.3Å; P594-R598 WeakPolarHBondContact O-CB 3.31Å; P594-R598 PolarHBondContact O-N 3.16Å; F595-R598 PolarHBondContact O-N 3.03Å; Q596-R598 VanDerWaalsContact C-N 3.3Å; Q596-R598 PolarHBondContact O-N 3.06Å; R598-S601 PolarHBondContact O-N 3.17Å; R598-H602 WeakPolarHBondContact O-CB 3.45Å; R598-H602 PolarHBondContact O-N 2.72Å
599L89.4Confident81.6Confident2 Ų259.9 Ų59.91%0.0137%0.372CS..Hα-helixtrans-59.7-48.4173.1-173.9145000110.8L577 K578 F595 Q596 S601 F603L577-L599 HydrophobicContact CB-CD1 3.92Å; L577-L599 HydrophobicContact CD1-CD1 4.37Å; L577-L599 HydrophobicContact CD2-CD1 3.46Å; L577-L599 VanDerWaalsContact CD2-CD1 3.46Å; L577-L599 HydrophobicContact CG-CD1 4.08Å; K578-L599 WeakPolarHBondContact O-CD2 3.44Å; F595-L599 HydrophobicContact CE1-CD1 3.77Å; F595-L599 HydrophobicContact CZ-CD1 4.34Å; F595-L599 WeakPolarHBondContact O-CB 3.28Å; F595-L599 PolarHBondContact O-N 3.3Å; Q596-L599 PolarHBondContact O-N 3.25Å; L599-S601 VanDerWaalsContact C-N 3.27Å; L599-S601 PolarHBondContact O-N 2.71Å; L599-F603 HydrophobicContact CG-CB 3.98Å; L599-F603 HydrophobicContact CG-CG 4.17Å; L599-F603 WeakPolarHBondContact O-CB 3.49Å; L599-F603 PolarHBondContact O-N 3.17Å
600D87.1Confident84Confident64 Ų6460.9 Ų60.934%0.34236%0.357SS..Hα-helixtrans-60.6-37.2178.8-72.7-30.8000112.6S580 Q596 S597S580-D600 VanDerWaalsContact CB-OD1 3.24Å; S580-D600 WeakPolarHBondContact CB-OD1 3.34Å; S580-D600 WeakPolarHBondContact OG-CA 3.34Å; S580-D600 VanDerWaalsContact OG-CB 3.22Å; S580-D600 WeakPolarHBondContact OG-CB 3.47Å; S580-D600 PolarHBondContact OG-OD1 3.37Å; Q596-D600 PolarHBondContact NE2-OD1 2.86Å; Q596-D600 PolarHBondContact NE2-OD2 3.47Å; Q596-D600 WeakPolarHBondContact O-CB 3.43Å; Q596-D600 PolarHBondContact O-N 3.05Å; S597-D600 PolarHBondContact O-N 2.87Å
601S85.4Confident86.2Confident82 Ų8256.2 Ų56.257%0.57332%0.324SS*.Hα-helixtrans-83.4-34.3-175.5-56.40000113.9S597 R598 L599S597-S601 WeakPolarHBondContact O-CB 3.39Å; S597-S601 PolarHBondContact O-N 3.17Å; S597-S601 VanDerWaalsContact O-N 3.08Å; S597-S601 PolarHBondContact O-OG 2.96Å; R598-S601 PolarHBondContact O-N 3.17Å; L599-S601 VanDerWaalsContact C-N 3.27Å; L599-S601 PolarHBondContact O-N 2.71Å
602H89.8Confident88.6Confident93 Ų9351.3 Ų51.343%0.43129%0.29SS..Hα-helixtrans-123.4-19.6-166.7-63.8-81.9000115.2F535 R598 A604 G605F535-H602 HydrophobicContact CE1-CB 4.07Å; F535-H602 HydrophobicContact CZ-CB 4.12Å; R598-H602 WeakPolarHBondContact O-CB 3.45Å; R598-H602 PolarHBondContact O-N 2.72Å; H602-A604 VanDerWaalsContact C-N 3.25Å; H602-A604 PolarHBondContact O-N 3.29Å; H602-G605 PolarHBondContact O-N 2.87Å
603F92.8Very high90.3Very high0 Ų046.2 Ų46.20%026%0.264CS..Hα-helixtrans-63.7-32.5-172.9-167.1-115.5000112.8C522 F535 L561 L577 A579 L599 G605 L606 F607C522-F603 HydrophobicContact CB-CE2 4.13Å; F535-F603 HydrophobicContact CD1-CD2 4.35Å; F535-F603 HydrophobicContact CD2-CD2 4.07Å; F535-F603 HydrophobicContact CD2-CE2 4.49Å; F535-F603 HydrophobicContact CE1-CB 4.12Å; F535-F603 HydrophobicContact CE1-CD2 4.18Å; F535-F603 AromaticContact CE2-CD2 3.9Å; F535-F603 HydrophobicContact CE2-CD2 3.9Å; F535-F603 HydrophobicContact CG-CD2 4.3Å; F535-F603 HydrophobicContact CZ-CB 4.2Å; F535-F603 AromaticContact CZ-CD2 3.96Å; F535-F603 HydrophobicContact CZ-CD2 3.96Å; L561-F603 HydrophobicContact CB-CZ 3.91Å; L577-F603 HydrophobicContact CB-CE1 3.8Å; L577-F603 HydrophobicContact CB-CE2 4.25Å; L577-F603 HydrophobicContact CB-CZ 3.63Å; L577-F603 HydrophobicContact CD1-CE2 4.12Å; L577-F603 HydrophobicContact CD1-CZ 4.18Å; A579-F603 HydrophobicContact CB-CD1 4.34Å; L599-F603 HydrophobicContact CG-CB 3.98Å; L599-F603 HydrophobicContact CG-CG 4.17Å; L599-F603 WeakPolarHBondContact O-CB 3.49Å; L599-F603 PolarHBondContact O-N 3.17Å; F603-G605 PolarHBondContact O-N 3.29Å; F603-L606 HydrophobicContact CD2-CD2 4.41Å; F603-L606 HydrophobicContact CE2-CD2 4.03Å; F603-L606 WeakPolarHBondContact O-CB 3.36Å; F603-L606 PolarHBondContact O-N 3.3Å; F603-F607 AromaticContact CD1-CE2 3.9Å; F603-F607 HydrophobicContact CD1-CE2 3.9Å; F603-F607 AromaticContact CE1-CE2 3.54Å; F603-F607 HydrophobicContact CE1-CE2 3.54Å; F603-F607 AromaticContact CE1-CZ 3.96Å; F603-F607 HydrophobicContact CE1-CZ 3.96Å; F603-F607 HydrophobicContact CE2-CE2 4.49Å; F603-F607 AromaticContact CZ-CE2 3.86Å; F603-F607 HydrophobicContact CZ-CE2 3.86Å; F603-F607 HydrophobicContact CZ-CZ 4.11Å; F603-F607 WeakPolarHBondContact O-CD2 3.4Å
604A90.3Very high91.1Very high30 Ų3042.4 Ų42.425%0.24824%0.243CC..Hα-helixtrans-58.2-32.2172.800000113.4A579 H602 L606 F607A579-A604 HydrophobicContact CB-CB 3.86Å; H602-A604 VanDerWaalsContact C-N 3.25Å; H602-A604 PolarHBondContact O-N 3.29Å; A604-L606 VanDerWaalsContact C-N 3.32Å; A604-F607 PolarHBondContact O-N 3.31Å
605G90.1Very high91.7Very high40 Ų4038.3 Ų38.341%0.41222%0.217SC..Hα-helixtrans-68.1-30.3-179.900000112.9H602 F603 F607 A608H602-G605 PolarHBondContact O-N 2.87Å; F603-G605 PolarHBondContact O-N 3.29Å; G605-F607 PolarHBondContact O-N 3.41Å; G605-A608 VanDerWaalsContact O-CB 3.23Å; G605-A608 WeakPolarHBondContact O-CB 3.34Å; G605-A608 PolarHBondContact O-N 3.46Å
606L92.4Very high92Very high2 Ų238 Ų381%0.0122%0.215CC..Hα-helixtrans-58-38.1177.4-176.160.8000111.8V499 H520 C522 F535 F603 A604 A608 H609 L611V499-L606 HydrophobicContact CG2-CD2 4.33Å; H520-L606 WeakPolarHBondContact O-CD1 3.48Å; C522-L606 HydrophobicContact CB-CD2 3.95Å; F535-L606 HydrophobicContact CE2-CD2 4.37Å; F603-L606 HydrophobicContact CD2-CD2 4.41Å; F603-L606 HydrophobicContact CE2-CD2 4.03Å; F603-L606 WeakPolarHBondContact O-CB 3.36Å; F603-L606 PolarHBondContact O-N 3.3Å; A604-L606 VanDerWaalsContact C-N 3.32Å; L606-A608 PolarHBondContact O-N 3.5Å; L606-H609 PolarHBondContact O-N 2.83Å; L606-L611 HydrophobicContact CD1-CD2 3.74Å; L606-L611 HydrophobicContact CG-CD1 4.32Å; L606-L611 HydrophobicContact CG-CD2 3.89Å
607F92.5Very high92.4Very high14 Ų1435.2 Ų35.26%0.06120%0.202CC..THydrogen-bonded Turntrans-78.8-1.5-179.8-62.8-95.3000113.9L554 Y556 R559 F603 A604 G605 L611L554-F607 HydrophobicContact CD1-CE1 3.67Å; L554-F607 HydrophobicContact CD1-CZ 4.16Å; Y556-F607 HydrophobicContact CD1-CD1 4.41Å; Y556-F607 HydrophobicContact CD2-CD1 4.28Å; Y556-F607 HydrophobicContact CE1-CB 4.33Å; Y556-F607 WeakPolarHBondContact CE1-O 3.43Å; Y556-F607 HydrophobicContact CE2-CD1 4.45Å; Y556-F607 HydrophobicContact CG-CD1 4.27Å; Y556-F607 PolarHBondContact OH-O 3.06Å; R559-F607 HydrophobicContact CB-CD1 4.38Å; R559-F607 HydrophobicContact CB-CD2 3.74Å; R559-F607 HydrophobicContact CB-CE2 3.93Å; R559-F607 HydrophobicContact CB-CG 4Å; R559-F607 HydrophobicContact CB-CZ 4.32Å; R559-F607 HydrophobicContact CG-CB 4.12Å; R559-F607 HydrophobicContact CG-CD1 4.47Å; R559-F607 HydrophobicContact CG-CD2 4.15Å; R559-F607 HydrophobicContact CG-CG 4Å; F603-F607 AromaticContact CD1-CE2 3.9Å; F603-F607 HydrophobicContact CD1-CE2 3.9Å; F603-F607 AromaticContact CE1-CE2 3.54Å; F603-F607 HydrophobicContact CE1-CE2 3.54Å; F603-F607 AromaticContact CE1-CZ 3.96Å; F603-F607 HydrophobicContact CE1-CZ 3.96Å; F603-F607 HydrophobicContact CE2-CE2 4.49Å; F603-F607 AromaticContact CZ-CE2 3.86Å; F603-F607 HydrophobicContact CZ-CE2 3.86Å; F603-F607 HydrophobicContact CZ-CZ 4.11Å; F603-F607 WeakPolarHBondContact O-CD2 3.4Å; A604-F607 PolarHBondContact O-N 3.31Å; G605-F607 PolarHBondContact O-N 3.41Å; F607-L611 HydrophobicContact CD1-CD1 4.29Å; F607-L611 HydrophobicContact CE1-CD1 4.36Å
608A91.1Very high92.7Very high86 Ų8634.4 Ų34.471%0.71119%0.193SC*.THydrogen-bonded Turntrans-74.4-17.7168.600000112.1G605 L606G605-A608 VanDerWaalsContact O-CB 3.23Å; G605-A608 WeakPolarHBondContact O-CB 3.34Å; G605-A608 PolarHBondContact O-N 3.46Å; L606-A608 PolarHBondContact O-N 3.5Å
609H93.3Very high92.9Very high49 Ų4930.6 Ų30.623%0.22718%0.181CC..SBendtrans-106.9147.2178.9-56.3-93.6000110.6A501 D503 H520 Y556 L606 L611A501-H609 HydrophobicContact CB-CB 3.69Å; D503-H609 VanDerWaalsContact CG-ND1 3.31Å; D503-H609 IonicContact OD1-CE1 3.63Å; D503-H609 IonicContact OD1-CG 2.69Å; D503-H609 IonicContact OD1-ND1 3.44Å; D503-H609 PolarHBondContact OD1-ND1 2.74Å; D503-H609 IonicContact OD2-CE1 4Å; D503-H609 PolarHBondContact OD2-CE1 3.29Å; D503-H609 IonicContact OD2-ND1 3.91Å; D503-H609 PolarHBondContact OD2-ND1 3.31Å; H520-H609 AromaticContact CE1-CE1 3.96Å; H520-H609 AromaticContact CE1-NE2 3.84Å; H520-H609 AromaticContact ND1-NE2 3.82Å; Y556-H609 PolarHBondContact OH-O 3.04Å; L606-H609 PolarHBondContact O-N 2.83Å; H609-L611 PolarHBondContact O-N 3.35Å
610R94.4Very high92.8Very high110 Ų11034.2 Ų34.242%0.41520%0.203SC..  trans-62.8132.4169.1-58176.471.4-141.56.9108.5A478 D480 A501 E502A478-R610 HydrophobicContact CB-CB 4.27Å; D480-R610 HydrophobicContact CB-CG 4.06Å; D480-R610 IonicContact OD2-NE 3.84Å; D480-R610 PolarHBondContact OD2-NE 3.35Å; D480-R610 IonicContact OD2-NH2 3.86Å; A501-R610 WeakPolarHBondContact CA-O 3.49Å; E502-R610 HydrophobicContact CB-CB 4.32Å; E502-R610 WeakPolarHBondContact CB-O 3.33Å; E502-R610 VanDerWaalsContact CD-NH1 3.27Å; E502-R610 PolarHBondContact N-O 2.71Å; E502-R610 IonicContact OE1-NH1 3.41Å; E502-R610 PolarHBondContact OE1-NH1 2.87Å; E502-R610 VanDerWaalsContact OE1-NH1 3.1Å; E502-R610 WeakPolarHBondContact OE2-CB 3.21Å; E502-R610 WeakPolarHBondContact OE2-CD 3.33Å; E502-R610 IonicContact OE2-CZ 3.26Å; E502-R610 IonicContact OE2-NE 2.7Å; E502-R610 IonicContact OE2-NH1 2.81Å; E502-R610 PolarHBondContact OE2-NH1 2.85Å
611L96.4Very high92.9Very high0 Ų034.6 Ų34.60%021%0.205CC..EExtended strand (participates in β ladder)trans-105.6139.1-173.8-61.9179.8000110.7L479 V499 M500 A501 L554 Y556 L606 F607 H609L479-L611 WeakPolarHBondContact CA-O 3.39Å; L479-L611 VanDerWaalsContact CB-O 3.24Å; L479-L611 WeakPolarHBondContact CB-O 3.29Å; L479-L611 WeakPolarHBondContact CG-O 3.4Å; L479-L611 PolarHBondContact N-O 3.24Å; L479-L611 PolarHBondContact O-N 2.78Å; V499-L611 HydrophobicContact CB-CB 4.38Å; V499-L611 HydrophobicContact CG2-CD1 4.22Å; M500-L611 CarbonylContact O-C 3.59Å; M500-L611 WeakPolarHBondContact O-CA 3.42Å; A501-L611 HydrophobicContact CB-CD2 4.41Å; L554-L611 HydrophobicContact CD1-CD1 4.07Å; L554-L611 HydrophobicContact CD2-CB 4.47Å; L554-L611 HydrophobicContact CD2-CD1 4.25Å; Y556-L611 HydrophobicContact CE2-CD1 4.25Å; Y556-L611 HydrophobicContact CE2-CG 4.22Å; L606-L611 HydrophobicContact CD1-CD2 3.74Å; L606-L611 HydrophobicContact CG-CD1 4.32Å; L606-L611 HydrophobicContact CG-CD2 3.89Å; F607-L611 HydrophobicContact CD1-CD1 4.29Å; F607-L611 HydrophobicContact CE1-CD1 4.36Å; H609-L611 PolarHBondContact O-N 3.35Å
612K97Very high93.2Very high23 Ų2330.7 Ų30.710%0.118%0.177CC..EExtended strand (participates in β ladder)trans-109.2143.9170.1-74.3-177.5162.5-162.40109.9L474 G475 E476 A478 V499 M500 E502 A614L474-K612 HydrophobicContact CB-CB 4.42Å; L474-K612 HydrophobicContact CB-CD 4.37Å; L474-K612 HydrophobicContact CD1-CB 4.46Å; L474-K612 HydrophobicContact CD1-CD 4.05Å; G475-K612 WeakPolarHBondContact O-CD 3.27Å; E476-K612 VanDerWaalsContact O-CE 3.32Å; E476-K612 WeakPolarHBondContact O-CE 3.46Å; E476-K612 PolarHBondContact O-NZ 2.92Å; A478-K612 HydrophobicContact CB-CG 4.12Å; V499-K612 CarbonylContact C-O 3.45Å; V499-K612 VanDerWaalsContact CA-O 3.26Å; V499-K612 WeakPolarHBondContact CA-O 3.42Å; M500-K612 PolarHBondContact N-O 3.32Å; M500-K612 PolarHBondContact O-N 3.02Å; E502-K612 HydrophobicContact CB-CD 4.39Å; E502-K612 HydrophobicContact CB-CG 4.4Å; E502-K612 HydrophobicContact CG-CD 4.25Å; K612-A614 PolarHBondContact O-N 3.49Å
613P97.4Very high93.4Very high0 Ų028 Ų280%017%0.165CC..EExtended strand (participates in β ladder)trans-53.3135.3162.6-21.432.7000109.1Y430 V432 L474 G475 L479 W486 F615Y430-P613 HydrophobicContact CE1-CG 4.26Å; V432-P613 HydrophobicContact CG1-CB 3.81Å; V432-P613 HydrophobicContact CG1-CG 3.92Å; V432-P613 HydrophobicContact CG2-CB 4.14Å; V432-P613 HydrophobicContact CG2-CG 3.79Å; L474-P613 CarbonylContact C-O 3.29Å; L474-P613 WeakPolarHBondContact CA-O 3.21Å; G475-P613 PolarHBondContact N-O 3.1Å; L479-P613 HydrophobicContact CD1-CG 4.15Å; W486-P613 HydrophobicContact CH2-CG 4.47Å; W486-P613 HydrophobicContact CZ2-CB 4.04Å; W486-P613 HydrophobicContact CZ2-CG 4.27Å; P613-F615 HydrophobicContact CB-CE2 4.1Å; P613-F615 HydrophobicContact CB-CZ 3.97Å
614A97.4Very high93.5Very high2 Ų228 Ų282%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-135.8139.9-173.800000110.7L474 G498 M500 L515 K612L474-A614 HydrophobicContact CD2-CB 3.5Å; L474-A614 VanDerWaalsContact CD2-CB 3.5Å; G498-A614 PolarHBondContact N-O 2.81Å; G498-A614 PolarHBondContact O-N 2.85Å; M500-A614 HydrophobicContact CB-CB 3.71Å; L515-A614 HydrophobicContact CD1-CB 3.53Å; L515-A614 HydrophobicContact CD2-CB 4.19Å; K612-A614 PolarHBondContact O-N 3.49Å
615F97.7Very high93.6Very high2 Ų229.6 Ų29.61%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-133.9137.4-174.9-46.9-81000109.9V432 L434 Q472 V473 V488 S496 V497 P613 L624 I626V432-F615 HydrophobicContact CG1-CE2 4.01Å; V432-F615 HydrophobicContact CG1-CZ 4Å; L434-F615 HydrophobicContact CD2-CD2 3.48Å; L434-F615 VanDerWaalsContact CD2-CD2 3.48Å; L434-F615 HydrophobicContact CD2-CE2 3.54Å; L434-F615 HydrophobicContact CD2-CG 4.45Å; Q472-F615 VanDerWaalsContact CA-O 3.28Å; Q472-F615 WeakPolarHBondContact CA-O 3.32Å; V473-F615 HydrophobicContact CG1-CB 4.09Å; V473-F615 HydrophobicContact CG1-CD2 4.36Å; V473-F615 PolarHBondContact N-O 3.43Å; V473-F615 PolarHBondContact O-N 3.07Å; V488-F615 HydrophobicContact CG2-CE1 3.79Å; S496-F615 WeakPolarHBondContact O-CA 3.45Å; V497-F615 HydrophobicContact CG1-CD1 4.13Å; V497-F615 HydrophobicContact CG1-CE1 3.98Å; V497-F615 HydrophobicContact CG2-CD1 4.37Å; P613-F615 HydrophobicContact CB-CE2 4.1Å; P613-F615 HydrophobicContact CB-CZ 3.97Å; F615-L624 HydrophobicContact CB-CD2 4.17Å; F615-L624 HydrophobicContact CD1-CD1 4.31Å; F615-L624 HydrophobicContact CD1-CD2 4.47Å; F615-I626 HydrophobicContact CE1-CD1 4.45Å; F615-I626 HydrophobicContact CE1-CG1 4.45Å; F615-I626 HydrophobicContact CE2-CD1 3.88Å; F615-I626 HydrophobicContact CZ-CD1 3.68Å; F615-I626 HydrophobicContact CZ-CG1 4.13Å
616F96.4Very high93.7Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-133127.8178.3175.2-139.6000109.3C470 E471 Q472 V495 S496 Y510 R514 L515 E618C470-F616 HydrophobicContact CB-CE2 4.39Å; E471-F616 HydrophobicContact CB-CE2 4.23Å; E471-F616 VanDerWaalsContact O-CD2 3.32Å; E471-F616 WeakPolarHBondContact O-CD2 3.35Å; Q472-F616 HydrophobicContact CG-CB 3.84Å; Q472-F616 HydrophobicContact CG-CD2 3.4Å; Q472-F616 HydrophobicContact CG-CE2 4.2Å; Q472-F616 HydrophobicContact CG-CG 3.83Å; V495-F616 CarbonylContact C-O 3.55Å; V495-F616 WeakPolarHBondContact CA-O 3.46Å; S496-F616 PolarHBondContact N-O 2.79Å; S496-F616 PolarHBondContact O-N 2.94Å; Y510-F616 HydrophobicContact CE2-CZ 4.48Å; R514-F616 HydrophobicContact CG-CE1 3.95Å; R514-F616 HydrophobicContact CG-CZ 4.02Å; L515-F616 HydrophobicContact CB-CB 4.16Å; L515-F616 HydrophobicContact CD2-CB 4.24Å; F616-E618 HydrophobicContact CD1-CG 3.36Å; F616-E618 HydrophobicContact CD2-CG 4.45Å; F616-E618 HydrophobicContact CE1-CB 4.47Å; F616-E618 VanDerWaalsContact CE1-CD 3.47Å; F616-E618 HydrophobicContact CE1-CG 3.13Å; F616-E618 HydrophobicContact CE2-CG 4.24Å; F616-E618 HydrophobicContact CG-CG 4.05Å; F616-E618 HydrophobicContact CZ-CG 3.61Å
617L96.1Very high92.8Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-107.1101.4-176-71.984.8000109.2L443 V451 R453 E471 A622 L624L443-L617 HydrophobicContact CD1-CD1 4.14Å; L443-L617 HydrophobicContact CD2-CB 3.86Å; L443-L617 HydrophobicContact CD2-CD1 3.86Å; L443-L617 HydrophobicContact CD2-CD2 4.07Å; L443-L617 HydrophobicContact CD2-CG 4.14Å; V451-L617 HydrophobicContact CG1-CD1 3.9Å; V451-L617 HydrophobicContact CG1-CD2 4.28Å; V451-L617 HydrophobicContact CG2-CD1 3.96Å; V451-L617 HydrophobicContact CG2-CD2 4.02Å; R453-L617 HydrophobicContact CB-CB 4.3Å; R453-L617 HydrophobicContact CB-CD2 4.43Å; E471-L617 PolarHBondContact O-N 3.27Å; L617-A622 HydrophobicContact CB-CB 3.73Å; L617-A622 HydrophobicContact CD2-CB 4.15Å; L617-A622 WeakPolarHBondContact CD2-O 3.07Å; L617-A622 HydrophobicContact CG-CB 4.19Å; L617-L624 HydrophobicContact CD1-CD2 4.09Å; L617-L624 HydrophobicContact CG-CD2 4.22Å
618E90.9Very high91Very high31 Ų3130.4 Ų30.415%0.14517%0.171CC..  trans-87-38.3-163.2-76.2-174.4-115.100114.4R453 W494 S496 R514 Q525 F616R453-E618 VanDerWaalsContact NH1-C 3.31Å; R453-E618 PolarHBondContact NH1-O 2.93Å; W494-E618 HydrophobicContact CB-CB 3.84Å; W494-E618 PolarHBondContact O-N 3.11Å; S496-E618 PolarHBondContact OG-OE1 3.01Å; R514-E618 IonicContact CZ-OE2 2.92Å; R514-E618 IonicContact NH2-OE2 3.12Å; R514-E618 PolarHBondContact NH2-OE2 2.76Å; Q525-E618 WeakPolarHBondContact CG-OE1 3.41Å; Q525-E618 PolarHBondContact NE2-OE1 3.08Å; Q525-E618 PolarHBondContact NE2-OE2 3.05Å; F616-E618 HydrophobicContact CD1-CG 3.36Å; F616-E618 HydrophobicContact CD2-CG 4.45Å; F616-E618 HydrophobicContact CE1-CB 4.47Å; F616-E618 VanDerWaalsContact CE1-CD 3.47Å; F616-E618 HydrophobicContact CE1-CG 3.13Å; F616-E618 HydrophobicContact CE2-CG 4.24Å; F616-E618 HydrophobicContact CG-CG 4.05Å; F616-E618 HydrophobicContact CZ-CG 3.61Å
619S92.6Very high88.8Confident12 Ų1232.6 Ų32.68%0.08417%0.17CC..SBendtrans-95.6162178.171.50000111R453 G493 W494 D621 A622R453-S619 WeakPolarHBondContact CD-O 3.47Å; R453-S619 PolarHBondContact NH1-O 3.27Å; G493-S619 WeakPolarHBondContact CA-OG 3.28Å; W494-S619 PolarHBondContact N-OG 3.15Å; S619-D621 VanDerWaalsContact C-N 3.29Å; S619-D621 WeakPolarHBondContact CB-OD1 3.24Å; S619-D621 PolarHBondContact O-N 2.8Å; S619-D621 PolarHBondContact OG-OD1 2.84Å; S619-A622 WeakPolarHBondContact O-CB 3.36Å; S619-A622 PolarHBondContact O-N 3.31Å; S619-A622 PolarHBondContact OG-N 3.33Å
620V87.6Confident86.5Confident78 Ų7836.4 Ų36.447%0.47319%0.186SC..THydrogen-bonded Turntrans-68.1-31.4-175.11770000112.3L455 A622L455-V620 HydrophobicContact CD1-CG1 4.38Å; L455-V620 HydrophobicContact CD2-CG1 3.42Å; L455-V620 VanDerWaalsContact CD2-CG1 3.42Å; L455-V620 HydrophobicContact CG-CG1 3.86Å; V620-A622 VanDerWaalsContact C-N 3.35Å
621D88.6Confident83.9Confident72 Ų7240.3 Ų40.339%0.38521%0.206SC..THydrogen-bonded Turntrans-87.9-0.217760.3-27.9000113.3E492 S619 H623E492-D621 HydrophobicContact CG-CB 4.36Å; S619-D621 VanDerWaalsContact C-N 3.29Å; S619-D621 WeakPolarHBondContact CB-OD1 3.24Å; S619-D621 PolarHBondContact O-N 2.8Å; S619-D621 PolarHBondContact OG-OD1 2.84Å; D621-H623 PolarHBondContact O-N 3.48Å
622A93.1Very high81.2Confident0 Ų044.4 Ų44.40%024%0.235CC..  trans-56.5128.4-176.300000112.1K452 R453 E492 W494 V495 L617 S619 V620K452-A622 WeakPolarHBondContact CA-O 3.31Å; K452-A622 WeakPolarHBondContact CG-O 3.42Å; R453-A622 PolarHBondContact N-O 3.1Å; E492-A622 WeakPolarHBondContact O-CA 3.36Å; W494-A622 WeakPolarHBondContact O-CB 3.4Å; V495-A622 HydrophobicContact CG1-CB 4.06Å; L617-A622 HydrophobicContact CB-CB 3.73Å; L617-A622 HydrophobicContact CD2-CB 4.15Å; L617-A622 WeakPolarHBondContact CD2-O 3.07Å; L617-A622 HydrophobicContact CG-CB 4.19Å; S619-A622 WeakPolarHBondContact O-CB 3.36Å; S619-A622 PolarHBondContact O-N 3.31Å; S619-A622 PolarHBondContact OG-N 3.33Å; V620-A622 VanDerWaalsContact C-N 3.35Å
623H93.4Very high78.7Confident38 Ų3844.7 Ų44.718%0.17624%0.24CC..EExtended strand (participates in β ladder)trans-146.7125.8179.7-175.6-168.8000109.2V451 K452 I491 E492 D621V451-H623 PolarHBondContact O-CD2 2.99Å; K452-H623 HydrophobicContact CB-CB 4.27Å; K452-H623 HydrophobicContact CD-CB 4.39Å; K452-H623 HydrophobicContact CG-CB 4.12Å; I491-H623 HydrophobicContact CB-CB 4.18Å; I491-H623 WeakPolarHBondContact CB-O 3.35Å; I491-H623 VanDerWaalsContact CD1-CE1 3.43Å; I491-H623 WeakPolarHBondContact CD1-CE1 3.43Å; I491-H623 WeakPolarHBondContact CD1-NE2 3.38Å; I491-H623 PolarHBondContact N-O 2.83Å; E492-H623 HydrophobicContact CB-CB 4.38Å; E492-H623 PolarHBondContact N-O 3.07Å; E492-H623 VanDerWaalsContact N-O 3.17Å; E492-H623 PolarHBondContact O-N 3.13Å; D621-H623 PolarHBondContact O-N 3.48Å
624L94.6Very high76.3Confident0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-134.9157.3174.168.487.3000111.3V451 V488 E489 V495 F615 L617V451-L624 HydrophobicContact CG1-CD1 3.48Å; V451-L624 VanDerWaalsContact CG1-CD1 3.48Å; V451-L624 HydrophobicContact CG1-CD2 4.28Å; V451-L624 HydrophobicContact CG1-CG 3.65Å; V451-L624 PolarHBondContact N-O 3.43Å; V451-L624 PolarHBondContact O-N 3.43Å; V451-L624 VanDerWaalsContact O-O 3.1Å; V488-L624 HydrophobicContact CG1-CB 4.25Å; V488-L624 HydrophobicContact CG1-CD1 4Å; E489-L624 CarbonylContact O-C 3.54Å; E489-L624 WeakPolarHBondContact O-CA 3.5Å; V495-L624 HydrophobicContact CB-CD2 4.12Å; V495-L624 HydrophobicContact CG1-CB 4.46Å; V495-L624 HydrophobicContact CG1-CD2 4.03Å; F615-L624 HydrophobicContact CB-CD2 4.17Å; F615-L624 HydrophobicContact CD1-CD1 4.31Å; F615-L624 HydrophobicContact CD1-CD2 4.47Å; L617-L624 HydrophobicContact CD1-CD2 4.09Å; L617-L624 HydrophobicContact CG-CD2 4.22Å
625Q93.1Very high73.7Confident63 Ų6350.2 Ų50.229%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-136.7134.4175.5-178.5173.2-6.800109.3K449 E489 I491 G627K449-Q625 CarbonylContact O-C 3.48Å; K449-Q625 WeakPolarHBondContact O-CA 3.49Å; E489-Q625 WeakPolarHBondContact CA-O 3.32Å; E489-Q625 WeakPolarHBondContact CB-O 3.4Å; E489-Q625 PolarHBondContact N-O 3.27Å; E489-Q625 PolarHBondContact O-N 3.42Å; I491-Q625 HydrophobicContact CD1-CB 3.91Å; Q625-G627 PolarHBondContact O-N 3.33Å
626I91.2Very high71.2Confident8 Ų854.5 Ų54.54%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-73.4123.6175.3-55.9176.3000108.1V432 L434 K449 F615V432-I626 HydrophobicContact CB-CD1 3.86Å; V432-I626 HydrophobicContact CB-CG2 4.1Å; V432-I626 HydrophobicContact CG1-CD1 3.65Å; L434-I626 HydrophobicContact CD1-CD1 4.48Å; L434-I626 HydrophobicContact CD2-CD1 3.72Å; L434-I626 HydrophobicContact CG-CD1 3.83Å; K449-I626 HydrophobicContact CD-CB 4.49Å; K449-I626 PolarHBondContact O-N 3.19Å; F615-I626 HydrophobicContact CE1-CD1 4.45Å; F615-I626 HydrophobicContact CE1-CG1 4.45Å; F615-I626 HydrophobicContact CE2-CD1 3.88Å; F615-I626 HydrophobicContact CZ-CD1 3.68Å; F615-I626 HydrophobicContact CZ-CG1 4.13Å
627G73.3Confident68.7Low27 Ų2758.6 Ų58.628%0.27832%0.321SS..SBendtrans-67.2161.4-171.100000114.8E487 Q625E487-G627 PolarHBondContact O-N 3.15Å; Q625-G627 PolarHBondContact O-N 3.33Å
628P56Low66.1Low38 Ų3866.7 Ų66.725%0.24736%0.356CS..  -122.5157.8-77.537.1-32.5000116.2K630P628-K630 HydrophobicContact CB-CB 4.48Å; P628-K630 HydrophobicContact CB-CG 4.23Å; P628-K630 HydrophobicContact CG-CB 4.23Å; P628-K630 HydrophobicContact CG-CD 4.37Å; P628-K630 HydrophobicContact CG-CG 4.22Å; P628-K630 PolarHBondContact O-N 3.27Å; P628-K630 VanDerWaalsContact O-N 3.1Å
629L44.3Very low63.7Low131 Ų13175.3 Ų75.369%0.68639%0.387SS*.  trans-65.723.6157.5-78.9145.4000114.5K631L629-K631 PolarHBondContact O-N 3.04Å
630K44.2Very low61Low129 Ų12986.8 Ų86.856%0.56143%0.428SS*.  trans-69.8125.6171.1-77.3-179.5-177.6169.80108.5P628 S632 C633P628-K630 HydrophobicContact CB-CB 4.48Å; P628-K630 HydrophobicContact CB-CG 4.23Å; P628-K630 HydrophobicContact CG-CB 4.23Å; P628-K630 HydrophobicContact CG-CD 4.37Å; P628-K630 HydrophobicContact CG-CG 4.22Å; P628-K630 PolarHBondContact O-N 3.27Å; P628-K630 VanDerWaalsContact O-N 3.1Å; K630-S632 PolarHBondContact O-N 3.41Å; K630-C633 PolarHBondContact O-N 3.42Å
631K41.1Very low59.7Low192 Ų19287.2 Ų87.284%0.83543%0.426SS*.Hα-helixtrans-47.7-27-176.7-80.5-179.4177.5175.50114.5L629L629-K631 PolarHBondContact O-N 3.04Å
632S40.2Very low58.2Low86 Ų8688 Ų8860%0.60143%0.428SS*.Hα-helixtrans-67.9-34.4177.152.40000114K630 S635K630-S632 PolarHBondContact O-N 3.41Å; S632-S635 PolarHBondContact O-OG 3.4Å
633C42.7Very low56.2Low30 Ų3092.9 Ų92.920%0.20345%0.452CS..Hα-helixtrans-83.8-23.5-177.2-59.60000112.8K630 S635 V636K630-C633 PolarHBondContact O-N 3.42Å; C633-S635 PolarHBondContact O-N 3.29Å; C633-V636 PolarHBondContact O-N 3.49Å
634I47.1Very low54.1Low56 Ų5696.1 Ų96.129%0.28747%0.468SS..Hα-helixtrans-62.1-28.6176.7-61.9178.3000111.6V636 K638I634-V636 VanDerWaalsContact C-N 3.31Å; I634-V636 PolarHBondContact O-N 2.99Å; I634-K638 HydrophobicContact CG2-CD 3.55Å; I634-K638 HydrophobicContact CG2-CG 3.77Å; I634-K638 VanDerWaalsContact O-CB 3.3Å; I634-K638 WeakPolarHBondContact O-CB 3.46Å; I634-K638 WeakPolarHBondContact O-CG 3.42Å; I634-K638 PolarHBondContact O-N 2.85Å
635S44.1Very low51.5Low61 Ų61102.1 Ų102.143%0.42750%0.498SS..Hα-helixtrans-71-21.4-178.371.50000114.9S632 C633S632-S635 PolarHBondContact O-OG 3.4Å; C633-S635 PolarHBondContact O-N 3.29Å
636V44.1Very low48.7Very low93 Ų93104.7 Ų104.756%0.56451%0.511SS*.Hα-helixtrans-89.9-36.5177.7179.50000110.4C633 I634C633-V636 PolarHBondContact O-N 3.49Å; I634-V636 VanDerWaalsContact C-N 3.31Å; I634-V636 PolarHBondContact O-N 2.99Å
637L43.8Very low45.7Very low85 Ų85111.6 Ų111.645%0.44555%0.545SS..Hα-helixtrans-79.4-31.8178.2-74.3166.2000113.7I431 R639 R640I431-L637 HydrophobicContact CD1-CD1 4.4Å; L637-R639 PolarHBondContact O-N 3.37Å; L637-R640 PolarHBondContact O-N 3.45Å
638K41.9Very low43.6Very low171 Ų171118.2 Ų118.274%0.74357%0.565SS**THydrogen-bonded Turntrans-73.4-2.7174.9-76.5-170.9176.4-179.40114.8I634I634-K638 HydrophobicContact CG2-CD 3.55Å; I634-K638 HydrophobicContact CG2-CG 3.77Å; I634-K638 VanDerWaalsContact O-CB 3.3Å; I634-K638 WeakPolarHBondContact O-CB 3.46Å; I634-K638 WeakPolarHBondContact O-CG 3.42Å; I634-K638 PolarHBondContact O-N 2.85Å
639R40Very low42.6Very low211 Ų211124.8 Ų124.880%0.79659%0.592SS**THydrogen-bonded Turntrans-97.6-2.3179.6-126.6-176.4-74-166-3113L637L637-R639 PolarHBondContact O-N 3.37Å
640R37.3Very low42.4Very low253 Ų253124.3 Ų124.396%0.95558%0.583SS**  trans-107.60159.2-71.5-175.6-179.4174.43.7107.7L637L637-R640 PolarHBondContact O-N 3.45Å

Retrieved 640 of 640 residues in 507.5 ms (Link to these results)

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