G4VEC8_SCHMA Loading...

Protein-lysine N-trimethyltransferase SMYD5

AlphaFold DB , UniProt , Accession G4VEC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 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
1M64.2Low89.4Confident86 Ų8677.9 Ų77.942%0.42441%0.41SS..  087.40-71.5-176.2143.300108.8L17 F30 Y320M1-L17 HydrophobicContact CE-CD1 4.34Å; M1-F30 HydrophobicContact CE-CD1 3.81Å; M1-F30 HydrophobicContact CE-CD2 4.15Å; M1-F30 HydrophobicContact CE-CE1 3.87Å; M1-F30 HydrophobicContact CE-CE2 4.19Å; M1-F30 HydrophobicContact CE-CG 3.95Å; M1-F30 HydrophobicContact CE-CZ 4.03Å; M1-Y320 HydrophobicContact CE-CD1 3.04Å; M1-Y320 HydrophobicContact CE-CD2 3.71Å; M1-Y320 HydrophobicContact CE-CE1 3.64Å; M1-Y320 HydrophobicContact CE-CE2 4.23Å; M1-Y320 HydrophobicContact CE-CG 3.06Å; M1-Y320 HydrophobicContact SD-CD1 3.5Å; M1-Y320 WeakPolarHBondContact SD-CD1 3.49Å; M1-Y320 HydrophobicContact SD-CE1 3.44Å; M1-Y320 WeakPolarHBondContact SD-CE1 3.42Å; M1-Y320 HydrophobicContact SD-CE2 4.49Å; M1-Y320 HydrophobicContact SD-CG 4.04Å
2N85.1Confident88.6Confident145 Ų14581.4 Ų81.478%0.77544%0.437SS*.  trans-91-22.8-178.5-67.7-4.1000112.3T20N2-T20 PolarHBondContact O-OG1 3.03Å
3L94.7Very high88.2Confident31 Ų3184.2 Ų84.216%0.16244%0.437CS..SBendtrans-96-13.2-176.3-67.6167.3000113.8A19 T20 Q21 I23 I28L3-A19 WeakPolarHBondContact O-CA 3.44Å; L3-T20 VanDerWaalsContact CA-OG1 3.28Å; L3-T20 WeakPolarHBondContact CA-OG1 3.25Å; L3-T20 PolarHBondContact O-N 2.99Å; L3-T20 PolarHBondContact O-OG1 3.19Å; L3-T20 VanDerWaalsContact O-OG1 3.11Å; L3-Q21 HydrophobicContact CD2-CG 3.87Å; L3-I23 HydrophobicContact CB-CD1 4.26Å; L3-I23 HydrophobicContact CD2-CG1 4.19Å; L3-I28 WeakPolarHBondContact CD1-O 2.98Å
4T96.6Very high88.2Confident4 Ų480.1 Ų80.13%0.02543%0.427CS..EExtended strand (participates in β ladder)trans-137.2152.3-174.3600000111.8V18 L29 I357T4-V18 CarbonylContact C-O 3.53Å; T4-V18 VanDerWaalsContact CA-O 3.24Å; T4-V18 WeakPolarHBondContact CA-O 3.36Å; T4-L29 HydrophobicContact CG2-CB 4.11Å; T4-L29 HydrophobicContact CG2-CD1 4.16Å; T4-I357 HydrophobicContact CG2-CD1 4.43Å; T4-I357 HydrophobicContact CG2-CG1 3.99Å
5R96.1Very high88.5Confident141 Ų14179.1 Ų79.153%0.53242%0.415SS..EExtended strand (participates in β ladder)trans-137151.1169.867.4-179.3-179.4106.7-1.9110.7V7 L17 V18 T20R5-V7 HydrophobicContact CG-CG2 4.49Å; R5-L17 WeakPolarHBondContact O-CA 3.37Å; R5-V18 HydrophobicContact CG-CG2 3.51Å; R5-V18 PolarHBondContact N-O 3.3Å; R5-V18 PolarHBondContact O-N 3.28Å; R5-T20 HydrophobicContact CB-CG2 3.78Å; R5-T20 HydrophobicContact CG-CG2 3.82Å
6E95.2Very high88.9Confident76 Ų7674.2 Ų74.236%0.35539%0.389SS..EExtended strand (participates in β ladder)trans-75.8139.6175.7-172.2170.9166.700111.3R15 G16 L17 R323E6-R15 VanDerWaalsContact OE1-CD 3.27Å; E6-R15 WeakPolarHBondContact OE1-CD 3.01Å; E6-R15 IonicContact OE1-NH1 2.8Å; E6-G16 WeakPolarHBondContact CA-O 3.42Å; E6-L17 HydrophobicContact CB-CD2 4.16Å; E6-R323 IonicContact OE1-CZ 2.82Å; E6-R323 IonicContact OE1-NE 2.78Å; E6-R323 PolarHBondContact OE1-NE 3.07Å; E6-R323 IonicContact OE1-NH2 3.73Å; E6-R323 IonicContact OE2-CZ 3.85Å; E6-R323 IonicContact OE2-NE 3.85Å; E6-R323 PolarHBondContact OE2-NE 3.34Å; E6-R323 IonicContact OE2-NH2 2.71Å
7V95.7Very high89.4Confident33 Ų3369.8 Ų69.820%0.237%0.366CS..EExtended strand (participates in β ladder)trans-137.3140.4177.1175.60000108.7R5 F9 R15 G16 V18R5-V7 HydrophobicContact CG-CG2 4.49Å; V7-F9 HydrophobicContact CB-CE2 4.35Å; V7-F9 HydrophobicContact CB-CZ 4.37Å; V7-F9 HydrophobicContact CG1-CD1 4.38Å; V7-F9 HydrophobicContact CG1-CE1 4.18Å; V7-F9 HydrophobicContact CG1-CE2 4.42Å; V7-F9 HydrophobicContact CG1-CZ 4.21Å; V7-R15 CarbonylContact O-C 3.54Å; V7-R15 WeakPolarHBondContact O-CA 3.33Å; V7-G16 PolarHBondContact N-O 3.3Å; V7-G16 PolarHBondContact O-N 3.09Å; V7-V18 HydrophobicContact CB-CG1 4.23Å; V7-V18 HydrophobicContact CG2-CB 4.34Å; V7-V18 HydrophobicContact CG2-CG1 3.85Å; V7-V18 HydrophobicContact CG2-CG2 3.53Å
8D94.1Very high89.9Confident114 Ų11466.2 Ų66.261%0.6135%0.347SS*.EExtended strand (participates in β ladder)trans-91.8116.9168.5-170.2-13.5000109.4G10 R15D8-G10 VanDerWaalsContact C-N 3.27Å; D8-G10 WeakPolarHBondContact OD1-CA 3.42Å; D8-G10 PolarHBondContact OD1-N 3.37Å; D8-R15 HydrophobicContact CB-CG 4.4Å
9F92Very high90.3Very high65 Ų6562.8 Ų62.829%0.28533%0.329SS..  trans-89.611.9178-68.4-73.9000112.9V7 R13 G14 V18 E356V7-F9 HydrophobicContact CB-CE2 4.35Å; V7-F9 HydrophobicContact CB-CZ 4.37Å; V7-F9 HydrophobicContact CG1-CD1 4.38Å; V7-F9 HydrophobicContact CG1-CE1 4.18Å; V7-F9 HydrophobicContact CG1-CE2 4.42Å; V7-F9 HydrophobicContact CG1-CZ 4.21Å; F9-R13 HydrophobicContact CB-CB 3.61Å; F9-R13 HydrophobicContact CB-CG 4.44Å; F9-G14 WeakPolarHBondContact CA-O 3.13Å; F9-G14 WeakPolarHBondContact CB-O 3.28Å; F9-G14 PolarHBondContact N-O 3.47Å; F9-V18 HydrophobicContact CE1-CG1 4.48Å; F9-V18 HydrophobicContact CE2-CG1 4.37Å; F9-V18 HydrophobicContact CZ-CG1 3.62Å; F9-E356 HydrophobicContact CE2-CG 3.77Å; F9-E356 WeakPolarHBondContact CE2-OE1 3.45Å; F9-E356 HydrophobicContact CZ-CB 3.97Å; F9-E356 HydrophobicContact CZ-CG 3.73Å
10G88.8Confident90.7Very high23 Ų2362 Ų6224%0.23733%0.327CS..  trans89.4-179.9176.500000113.4D8 T12 R13 G14D8-G10 VanDerWaalsContact C-N 3.27Å; D8-G10 WeakPolarHBondContact OD1-CA 3.42Å; D8-G10 PolarHBondContact OD1-N 3.37Å; G10-T12 VanDerWaalsContact C-N 3.29Å; G10-T12 PolarHBondContact O-N 3.23Å; G10-T12 VanDerWaalsContact O-N 3.13Å; G10-R13 PolarHBondContact O-N 3.2Å; G10-G14 WeakPolarHBondContact O-CA 3.39Å; G10-G14 PolarHBondContact O-N 3.45Å
11P80.6Confident91Very high139 Ų13963.5 Ų63.590%0.90333%0.333SS*.THydrogen-bonded Turntrans-63.2-29.5-164.423.6-34.7000114.5
12T79.7Confident92.6Very high120 Ų12063.8 Ų63.874%0.73633%0.332SS*.THydrogen-bonded Turntrans-80.2-33.6-178-48.90000112.8G10G10-T12 VanDerWaalsContact C-N 3.29Å; G10-T12 PolarHBondContact O-N 3.23Å; G10-T12 VanDerWaalsContact O-N 3.13Å
13R84.2Confident93.2Very high117 Ų11756.9 Ų56.944%0.44230%0.295SS..THydrogen-bonded Turntrans-104.7-21.9-174-62.4-167.368.6-148.5-4.8112.7F9 G10 N325 E356F9-R13 HydrophobicContact CB-CB 3.61Å; F9-R13 HydrophobicContact CB-CG 4.44Å; G10-R13 PolarHBondContact O-N 3.2Å; R13-N325 PolarHBondContact O-OD1 3.19Å; R13-E356 IonicContact CZ-OE1 3.78Å; R13-E356 IonicContact CZ-OE2 3.77Å; R13-E356 IonicContact NH1-OE1 3.79Å; R13-E356 IonicContact NH1-OE2 2.65Å; R13-E356 PolarHBondContact NH1-OE2 3.49Å; R13-E356 IonicContact NH2-OE1 3.4Å; R13-E356 PolarHBondContact NH2-OE1 3.11Å; R13-E356 IonicContact NH2-OE2 2.7Å; R13-E356 PolarHBondContact NH2-OE2 3.38Å
14G87.9Confident93.4Very high28 Ų2859.2 Ų59.229%0.28931%0.307SS..  trans66.8-153.8-174.900000112.1F9 G10F9-G14 WeakPolarHBondContact CA-O 3.13Å; F9-G14 WeakPolarHBondContact CB-O 3.28Å; F9-G14 PolarHBondContact N-O 3.47Å; G10-G14 WeakPolarHBondContact O-CA 3.39Å; G10-G14 PolarHBondContact O-N 3.45Å
15R92.4Very high93.5Very high65 Ų6562 Ų6225%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-81.7157.8-179.8-67.5169-66.1179.2-4.3111.1E6 V7 D8 Q177 N325E6-R15 VanDerWaalsContact OE1-CD 3.27Å; E6-R15 WeakPolarHBondContact OE1-CD 3.01Å; E6-R15 IonicContact OE1-NH1 2.8Å; V7-R15 CarbonylContact O-C 3.54Å; V7-R15 WeakPolarHBondContact O-CA 3.33Å; D8-R15 HydrophobicContact CB-CG 4.4Å; R15-Q177 VanDerWaalsContact NH1-OE1 3.14Å; R15-Q177 PolarHBondContact NH2-O 3.18Å; R15-N325 PolarHBondContact O-ND2 3.21Å
16G95.2Very high93.6Very high0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-153.4173.1179.400000111.7E6 V7 R323E6-G16 WeakPolarHBondContact CA-O 3.42Å; V7-G16 PolarHBondContact N-O 3.3Å; V7-G16 PolarHBondContact O-N 3.09Å; G16-R323 VanDerWaalsContact CA-O 3.23Å; G16-R323 WeakPolarHBondContact CA-O 3.21Å
17L97.2Very high93.7Very high0 Ų059.1 Ų59.10%032%0.32CS..EExtended strand (participates in β ladder)trans-109.6140.7169.6-60.6-174.4000109.1M1 R5 E6 F30 I324 E356 I357M1-L17 HydrophobicContact CE-CD1 4.34Å; R5-L17 WeakPolarHBondContact O-CA 3.37Å; E6-L17 HydrophobicContact CB-CD2 4.16Å; L17-F30 HydrophobicContact CD1-CE1 3.52Å; L17-F30 HydrophobicContact CD1-CZ 3.85Å; L17-I324 HydrophobicContact CD1-CD1 4.2Å; L17-I324 HydrophobicContact CD1-CG1 3.76Å; L17-I324 HydrophobicContact CG-CG1 4.19Å; L17-E356 WeakPolarHBondContact O-CA 3.33Å; L17-I357 HydrophobicContact CB-CB 4.19Å; L17-I357 HydrophobicContact CB-CG1 4.16Å; L17-I357 PolarHBondContact O-N 2.92Å
18V97.9Very high93.8Very high5 Ų562.2 Ų62.23%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-121.2153.2170.3-570000110.2T4 R5 V7 F9 E355 E356T4-V18 CarbonylContact C-O 3.53Å; T4-V18 VanDerWaalsContact CA-O 3.24Å; T4-V18 WeakPolarHBondContact CA-O 3.36Å; R5-V18 HydrophobicContact CG-CG2 3.51Å; R5-V18 PolarHBondContact N-O 3.3Å; R5-V18 PolarHBondContact O-N 3.28Å; V7-V18 HydrophobicContact CB-CG1 4.23Å; V7-V18 HydrophobicContact CG2-CB 4.34Å; V7-V18 HydrophobicContact CG2-CG1 3.85Å; V7-V18 HydrophobicContact CG2-CG2 3.53Å; F9-V18 HydrophobicContact CE1-CG1 4.48Å; F9-V18 HydrophobicContact CE2-CG1 4.37Å; F9-V18 HydrophobicContact CZ-CG1 3.62Å; V18-E355 CarbonylContact C-O 3.55Å; V18-E355 VanDerWaalsContact CA-O 3.26Å; V18-E355 WeakPolarHBondContact CA-O 3.16Å; V18-E356 HydrophobicContact CG1-CB 4.46Å
19A98.4Very high94Very high1 Ų157.1 Ų57.11%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-66.4136.1172.600000111.1L3 Q21 I23 I351 Q352 G354 E355 I357L3-A19 WeakPolarHBondContact O-CA 3.44Å; A19-Q21 WeakPolarHBondContact CB-O 3.42Å; A19-I23 HydrophobicContact CB-CD1 3.56Å; A19-I23 HydrophobicContact CB-CG1 4.27Å; A19-I351 HydrophobicContact CB-CG2 3.86Å; A19-Q352 WeakPolarHBondContact CB-O 3.48Å; A19-G354 PolarHBondContact O-N 2.9Å; A19-E355 PolarHBondContact N-O 3.4Å; A19-I357 HydrophobicContact CB-CD1 4.24Å
20T97.9Very high94.2Very high46 Ų4654.9 Ų54.928%0.28230%0.297SS..SBendtrans-90.3-11.1175.750.50000113.2N2 L3 R5N2-T20 PolarHBondContact O-OG1 3.03Å; L3-T20 VanDerWaalsContact CA-OG1 3.28Å; L3-T20 WeakPolarHBondContact CA-OG1 3.25Å; L3-T20 PolarHBondContact O-N 2.99Å; L3-T20 PolarHBondContact O-OG1 3.19Å; L3-T20 VanDerWaalsContact O-OG1 3.11Å; R5-T20 HydrophobicContact CB-CG2 3.78Å; R5-T20 HydrophobicContact CG-CG2 3.82Å
21Q97.6Very high94.6Very high95 Ų9556 Ų5644%0.44430%0.301SS..SBendtrans-158.8175178.157-174.3-8.300108.4L3 A19 I23L3-Q21 HydrophobicContact CD2-CG 3.87Å; A19-Q21 WeakPolarHBondContact CB-O 3.42Å; Q21-I23 WeakPolarHBondContact O-CG1 3.39Å
22F98Very high95.3Very high92 Ų9250.1 Ų50.140%0.40426%0.262SS..  trans-62.7138.2171179.7-94.2000111.2N24 I351F22-N24 WeakPolarHBondContact CE1-OD1 3.46Å; F22-I351 WeakPolarHBondContact CA-O 3.32Å
23I98.2Very high96.2Very high0 Ų048.7 Ų48.70%025%0.25CC..BIsolated β-bridgetrans-124.3135.7-177.5-55.1170000109L3 A19 Q21 D27 L29 A347 S350 I351 I357L3-I23 HydrophobicContact CB-CD1 4.26Å; L3-I23 HydrophobicContact CD2-CG1 4.19Å; A19-I23 HydrophobicContact CB-CD1 3.56Å; A19-I23 HydrophobicContact CB-CG1 4.27Å; Q21-I23 WeakPolarHBondContact O-CG1 3.39Å; I23-D27 HydrophobicContact CG2-CB 3.65Å; I23-L29 HydrophobicContact CD1-CD2 3.76Å; I23-L29 HydrophobicContact CG2-CD2 3.65Å; I23-A347 HydrophobicContact CG2-CB 3.91Å; I23-S350 VanDerWaalsContact O-CA 3.28Å; I23-S350 WeakPolarHBondContact O-CA 3.32Å; I23-I351 HydrophobicContact CB-CB 4.15Å; I23-I351 HydrophobicContact CD1-CB 4.39Å; I23-I351 PolarHBondContact N-O 2.85Å; I23-I351 PolarHBondContact O-N 3Å; I23-I357 HydrophobicContact CD1-CD1 4.3Å
24N98.3Very high96.8Very high80 Ų8044.2 Ų44.243%0.42824%0.236SC..  trans-86155.2177.4-55-78.4000111.2F22 D27 A347F22-N24 WeakPolarHBondContact CE1-OD1 3.46Å; N24-D27 WeakPolarHBondContact CB-OD2 3.31Å; N24-D27 PolarHBondContact N-OD2 3.08Å; N24-D27 PolarHBondContact ND2-OD2 3.38Å; N24-D27 VanDerWaalsContact O-CB 3.3Å; N24-D27 WeakPolarHBondContact O-CB 3.44Å; N24-D27 PolarHBondContact O-N 3.41Å; N24-A347 WeakPolarHBondContact O-CB 3.49Å
25P98.2Very high97.3Very high63 Ų6345.1 Ų45.141%0.40923%0.233SC..THydrogen-bonded Turntrans-52.9145167.1-20.230.2000111.4D27P25-D27 PolarHBondContact O-N 3.27Å
26E97.6Very high97.6Very high101 Ų10142.3 Ų42.347%0.47222%0.223SC..THydrogen-bonded Turntrans66.8-0.9-176.2-56.9-65.812200116.1I28 R335 A347E26-I28 PolarHBondContact O-N 3.18Å; E26-R335 VanDerWaalsContact CD-NH2 3.31Å; E26-R335 IonicContact OE1-CZ 3.28Å; E26-R335 IonicContact OE1-NH2 2.93Å; E26-R335 PolarHBondContact OE1-NH2 3.31Å; E26-R335 IonicContact OE2-CZ 2.83Å; E26-R335 VanDerWaalsContact OE2-CZ 3.28Å; E26-R335 IonicContact OE2-NH1 3.57Å; E26-R335 PolarHBondContact OE2-NH1 2.92Å; E26-R335 IonicContact OE2-NH2 2.72Å; E26-R335 PolarHBondContact OE2-NH2 2.95Å; E26-A347 WeakPolarHBondContact CA-O 3.5Å; E26-A347 PolarHBondContact N-O 3.5Å
27D97.8Very high97.7Very high54 Ų5442.4 Ų42.429%0.28922%0.224SC..  trans-63.1133.8171.1-76.7-17.9000110.5I23 N24 P25 L29 V346 A347I23-D27 HydrophobicContact CG2-CB 3.65Å; N24-D27 WeakPolarHBondContact CB-OD2 3.31Å; N24-D27 PolarHBondContact N-OD2 3.08Å; N24-D27 PolarHBondContact ND2-OD2 3.38Å; N24-D27 VanDerWaalsContact O-CB 3.3Å; N24-D27 WeakPolarHBondContact O-CB 3.44Å; N24-D27 PolarHBondContact O-N 3.41Å; P25-D27 PolarHBondContact O-N 3.27Å; D27-L29 PolarHBondContact O-N 2.93Å; D27-V346 WeakPolarHBondContact O-CA 3.27Å; D27-A347 PolarHBondContact O-N 2.79Å
28I97.7Very high97.7Very high98 Ų9842.9 Ų42.950%0.50323%0.227SC..EExtended strand (participates in β ladder)trans-80110.1172.8-59.5173.9000108.4L3 E26 V346L3-I28 WeakPolarHBondContact CD1-O 2.98Å; E26-I28 PolarHBondContact O-N 3.18Å; I28-V346 HydrophobicContact CG1-CG2 4.3Å
29L97.6Very high97.7Very high7 Ų743.1 Ų43.14%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-64.7-47.7179.3-51-166.1000111T4 I23 D27 A332 V345 A347 I357T4-L29 HydrophobicContact CG2-CB 4.11Å; T4-L29 HydrophobicContact CG2-CD1 4.16Å; I23-L29 HydrophobicContact CD1-CD2 3.76Å; I23-L29 HydrophobicContact CG2-CD2 3.65Å; D27-L29 PolarHBondContact O-N 2.93Å; L29-A332 HydrophobicContact CD1-CB 4.37Å; L29-V345 HydrophobicContact CB-CB 4.29Å; L29-V345 HydrophobicContact CB-CG1 4.43Å; L29-V345 WeakPolarHBondContact CB-O 3.48Å; L29-V345 HydrophobicContact CD1-CG1 3.78Å; L29-V345 HydrophobicContact CG-CG1 4.21Å; L29-V345 PolarHBondContact N-O 3.1Å; L29-A347 HydrophobicContact CD2-CB 4.24Å; L29-I357 HydrophobicContact CD1-CB 4.47Å; L29-I357 HydrophobicContact CD1-CD1 3.88Å; L29-I357 HydrophobicContact CD1-CG1 4.07Å; L29-I357 HydrophobicContact CD1-CG2 3.57Å
30F97.3Very high97.6Very high18 Ų1843.7 Ų43.78%0.07923%0.23CC..EExtended strand (participates in β ladder)trans-166.9164.5172.760.2-88.6000110.4M1 L17 E32 I324 S344 V345M1-F30 HydrophobicContact CE-CD1 3.81Å; M1-F30 HydrophobicContact CE-CD2 4.15Å; M1-F30 HydrophobicContact CE-CE1 3.87Å; M1-F30 HydrophobicContact CE-CE2 4.19Å; M1-F30 HydrophobicContact CE-CG 3.95Å; M1-F30 HydrophobicContact CE-CZ 4.03Å; L17-F30 HydrophobicContact CD1-CE1 3.52Å; L17-F30 HydrophobicContact CD1-CZ 3.85Å; F30-E32 HydrophobicContact CD2-CB 4.31Å; F30-E32 HydrophobicContact CE2-CB 4.4Å; F30-I324 HydrophobicContact CE1-CD1 4.33Å; F30-I324 HydrophobicContact CZ-CD1 4Å; F30-S344 WeakPolarHBondContact O-CA 3.16Å; F30-V345 HydrophobicContact CD1-CB 4.36Å; F30-V345 HydrophobicContact CD1-CG2 4.39Å; F30-V345 HydrophobicContact CD2-CG2 4.22Å; F30-V345 HydrophobicContact CE1-CB 4.04Å; F30-V345 HydrophobicContact CE1-CG2 3.79Å; F30-V345 HydrophobicContact CE2-CG2 3.6Å; F30-V345 HydrophobicContact CZ-CB 4.15Å; F30-V345 HydrophobicContact CZ-CG2 3.37Å; F30-V345 PolarHBondContact O-N 3.09Å
31S96.9Very high97.4Very high46 Ų4641.8 Ų41.832%0.32222%0.219SC..EExtended strand (participates in β ladder)trans-123.6147.1168.4-51.30000109.8L343 S344S31-L343 CarbonylContact C-O 3.57Å; S31-L343 WeakPolarHBondContact CA-O 3.43Å; S31-L343 WeakPolarHBondContact CB-O 3.18Å; S31-S344 PolarHBondContact OG-OG 3.26Å
32E96.1Very high97.2Very high17 Ų1738.9 Ų38.98%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-145.4137.8-171.1-178.3175.2-151.800110.8F30 Y318 Y319 Y320 Q321 R342 L343F30-E32 HydrophobicContact CD2-CB 4.31Å; F30-E32 HydrophobicContact CE2-CB 4.4Å; E32-Y318 HydrophobicContact CG-CD1 4.16Å; E32-Y319 WeakPolarHBondContact OE1-CA 3.46Å; E32-Y319 VanDerWaalsContact OE1-CB 3.27Å; E32-Y319 WeakPolarHBondContact OE1-CB 3.5Å; E32-Y319 PolarHBondContact OE1-N 3.12Å; E32-Y320 WeakPolarHBondContact OE1-CD2 3.38Å; E32-Y320 PolarHBondContact OE1-N 2.84Å; E32-Y320 WeakPolarHBondContact OE2-CB 3.35Å; E32-Y320 PolarHBondContact OE2-N 2.84Å; E32-Y320 VanDerWaalsContact OE2-N 3.09Å; E32-Q321 PolarHBondContact OE2-N 2.78Å; E32-Q321 VanDerWaalsContact OE2-N 3.08Å; E32-R342 WeakPolarHBondContact O-CG 3.26Å; E32-L343 HydrophobicContact CB-CD1 4.26Å; E32-L343 PolarHBondContact N-O 3.46Å; E32-L343 PolarHBondContact O-N 3.47Å
33D97Very high97Very high90 Ų9034.5 Ų34.548%0.48119%0.185SC..  trans-87.5146.7166.8-56.4-52.7000109R342D33-R342 WeakPolarHBondContact OD1-CB 3.13Å; D33-R342 VanDerWaalsContact OD1-CG 3.3Å; D33-R342 WeakPolarHBondContact OD1-CG 3.28Å; D33-R342 IonicContact OD1-CZ 3.16Å; D33-R342 IonicContact OD1-NH1 2.65Å; D33-R342 PolarHBondContact OD1-NH1 3.32Å; D33-R342 IonicContact OD2-NH1 2.96Å; D33-R342 PolarHBondContact OD2-NH1 3.26Å
34P97.8Very high96.9Very high23 Ų2339.8 Ų39.815%0.14921%0.208CC..  trans-63.6143.9177.427.4-33000110.3I36 C37 L317 Y318 S341P34-I36 PolarHBondContact O-N 2.65Å; P34-C37 HydrophobicContact CB-CB 4.14Å; P34-C37 HydrophobicContact CG-CB 4Å; P34-L317 CarbonylContact C-O 3.48Å; P34-L317 WeakPolarHBondContact CA-O 3.32Å; P34-Y318 HydrophobicContact CB-CD1 4.11Å; P34-Y318 HydrophobicContact CB-CD2 4.48Å; P34-Y318 HydrophobicContact CB-CE1 3.67Å; P34-Y318 HydrophobicContact CB-CE2 4.05Å; P34-Y318 HydrophobicContact CB-CG 4.5Å; P34-Y318 HydrophobicContact CG-CE1 4.11Å; P34-S341 WeakPolarHBondContact CG-OG 3.13Å
35L97.8Very high96.6Very high46 Ų4640.3 Ų40.324%0.24121%0.21CC..SBendtrans-56.8-41.5165.9-66.1175.4000110L171 A174 F178 L317 Y319L35-L171 HydrophobicContact CB-CG 4.42Å; L35-L171 VanDerWaalsContact O-CD1 3.3Å; L35-L171 WeakPolarHBondContact O-CD1 3.46Å; L35-A174 HydrophobicContact CD1-CB 3.74Å; L35-A174 HydrophobicContact CD2-CB 4.1Å; L35-F178 HydrophobicContact CD1-CE2 3.65Å; L35-F178 HydrophobicContact CD1-CZ 3.7Å; L35-L317 PolarHBondContact N-O 2.8Å; L35-Y319 HydrophobicContact CD1-CD2 4.49Å
36I98.3Very high96.2Very high6 Ų642.1 Ų42.13%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-159.7140.8177.5-160.4167.9000108.6P34 Y111 L149 R152 I153 L171 G316 L317P34-I36 PolarHBondContact O-N 2.65Å; I36-Y111 HydrophobicContact CG1-CD1 4.49Å; I36-L149 HydrophobicContact CG2-CD1 3.88Å; I36-R152 VanDerWaalsContact CD1-C 3.4Å; I36-R152 HydrophobicContact CD1-CB 3.4Å; I36-R152 VanDerWaalsContact CD1-CB 3.4Å; I36-R152 WeakPolarHBondContact CD1-O 3.14Å; I36-R152 HydrophobicContact CG1-CB 4.01Å; I36-I153 HydrophobicContact CD1-CG1 4.23Å; I36-I153 HydrophobicContact CG2-CG1 4.17Å; I36-L171 HydrophobicContact CB-CD1 4.04Å; I36-L171 HydrophobicContact CD1-CD1 4.13Å; I36-L171 HydrophobicContact CG1-CD1 4.47Å; I36-G316 CarbonylContact O-C 3.58Å; I36-G316 VanDerWaalsContact O-CA 3.28Å; I36-G316 WeakPolarHBondContact O-CA 3.36Å; I36-L317 HydrophobicContact CG2-CB 4.34Å; I36-L317 HydrophobicContact CG2-CD1 4.15Å; I36-L317 HydrophobicContact CG2-CG 4.39Å; I36-L317 PolarHBondContact O-N 3.23Å
37C98Very high95.9Very high3 Ų339.1 Ų39.12%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-135.5170.5171.463.60000110.8P34 H53 R152 I264 V315P34-C37 HydrophobicContact CB-CB 4.14Å; P34-C37 HydrophobicContact CG-CB 4Å; C37-H53 PolarHBondContact SG-O 3.37Å; C37-R152 WeakPolarHBondContact O-CD 3.45Å; C37-R152 VanDerWaalsContact O-CZ 3.27Å; C37-R152 PolarHBondContact O-NE 2.83Å; C37-R152 PolarHBondContact O-NH1 2.81Å; C37-I264 HydrophobicContact CB-CD1 3.63Å; C37-V315 CarbonylContact C-O 3.51Å; C37-V315 WeakPolarHBondContact CA-O 3.18Å; C37-V315 VanDerWaalsContact CB-O 3.23Å; C37-V315 WeakPolarHBondContact CB-O 3.46Å
38C97.6Very high95.7Very high9 Ų937 Ų376%0.06119%0.194CC..EExtended strand (participates in β ladder)trans-151138.8176.1-168.10000110T146 F148 L149 R152 G314 V315C38-T146 HydrophobicContact CB-CG2 3.93Å; C38-F148 WeakPolarHBondContact SG-CB 3.48Å; C38-L149 HydrophobicContact CB-CB 4.43Å; C38-L149 HydrophobicContact CB-CD1 4.35Å; C38-R152 PolarHBondContact SG-NE 2.81Å; C38-G314 CarbonylContact O-C 3.58Å; C38-G314 WeakPolarHBondContact O-CA 3.46Å; C38-V315 PolarHBondContact N-O 3.26Å; C38-V315 PolarHBondContact O-N 2.93Å
39Q97.2Very high95.5Very high11 Ų1138.2 Ų38.25%0.05120%0.195CC..EExtended strand (participates in β ladder)trans-63.6145.6167.6-164.8176.811.500109.4N43 K44 Y48 L55 E313Q39-N43 HydrophobicContact CG-CB 4.34Å; Q39-N43 PolarHBondContact NE2-OD1 2.99Å; Q39-K44 HydrophobicContact CG-CB 4.36Å; Q39-Y48 PolarHBondContact NE2-O 3.22Å; Q39-L55 HydrophobicContact CB-CD2 3.61Å; Q39-L55 HydrophobicContact CG-CD2 3.98Å; Q39-E313 WeakPolarHBondContact CA-O 3.38Å; Q39-E313 WeakPolarHBondContact CG-O 3.29Å
40F95.9Very high95.5Very high12 Ų1238.4 Ų38.45%0.05320%0.197CC..  trans-69156.3174.8-64.2-41.1000112.5N43 K44 E143 T146 E313 G314 V315F40-N43 HydrophobicContact CB-CB 4.02Å; F40-K44 WeakPolarHBondContact O-CB 3.32Å; F40-K44 PolarHBondContact O-N 2.82Å; F40-E143 HydrophobicContact CB-CB 4.15Å; F40-E143 VanDerWaalsContact CB-CD 3.44Å; F40-E143 HydrophobicContact CB-CG 4.42Å; F40-E143 WeakPolarHBondContact CB-OE2 3.43Å; F40-E143 HydrophobicContact CD1-CB 4.31Å; F40-E143 HydrophobicContact CD2-CB 3.88Å; F40-E143 HydrophobicContact CE2-CB 4.3Å; F40-E143 WeakPolarHBondContact CE2-O 3.4Å; F40-E143 HydrophobicContact CG-CB 3.91Å; F40-T146 HydrophobicContact CD1-CG2 4.16Å; F40-E313 HydrophobicContact CD2-CB 3.55Å; F40-E313 HydrophobicContact CE2-CB 3.97Å; F40-E313 PolarHBondContact N-O 2.95Å; F40-G314 VanDerWaalsContact CZ-C 3.47Å; F40-G314 VanDerWaalsContact CZ-O 3.28Å; F40-G314 WeakPolarHBondContact CZ-O 3.46Å; F40-V315 HydrophobicContact CD1-CG1 4.26Å; F40-V315 HydrophobicContact CE1-CB 3.64Å; F40-V315 HydrophobicContact CE1-CG1 3.62Å; F40-V315 HydrophobicContact CZ-CB 4.08Å
41S94.6Very high95.5Very high6 Ų637.5 Ų37.54%0.04219%0.194CC..Hα-helixtrans-73.1-45-169.4-80.40000111.7K44 L45 D132 E143S41-K44 PolarHBondContact O-N 3.4Å; S41-L45 WeakPolarHBondContact O-CB 3.48Å; S41-L45 PolarHBondContact O-N 3.34Å; S41-D132 WeakPolarHBondContact CB-OD1 3.37Å; S41-D132 PolarHBondContact OG-OD1 3.34Å; S41-E143 PolarHBondContact N-OE1 3.49Å
42W93.8Very high95.6Very high34 Ų3436 Ų3613%0.12918%0.182CC..Hα-helixtrans-68.5-41.6174.5-66.7101.6000111K44 L45 Y46 R136 H139 Y140 P141 E143W42-K44 VanDerWaalsContact C-N 3.3Å; W42-K44 PolarHBondContact O-N 3.04Å; W42-L45 HydrophobicContact CE3-CD2 3.59Å; W42-L45 HydrophobicContact CZ3-CD2 3.61Å; W42-L45 PolarHBondContact O-N 3.44Å; W42-L45 VanDerWaalsContact O-N 3.11Å; W42-Y46 HydrophobicContact CB-CD2 4.2Å; W42-Y46 HydrophobicContact CB-CE2 4.17Å; W42-Y46 HydrophobicContact CD2-CE2 4.36Å; W42-Y46 HydrophobicContact CE3-CD2 4.37Å; W42-Y46 AromaticContact CE3-CE2 3.57Å; W42-Y46 HydrophobicContact CE3-CE2 3.57Å; W42-Y46 HydrophobicContact CZ3-CE2 4.29Å; W42-Y46 WeakPolarHBondContact O-CD2 3.47Å; W42-Y46 PolarHBondContact O-N 2.84Å; W42-R136 HydrophobicContact CD2-CB 4.4Å; W42-R136 HydrophobicContact CD2-CG 4.1Å; W42-R136 HydrophobicContact CG-CG 4.23Å; W42-R136 HydrophobicContact CH2-CB 4.46Å; W42-R136 HydrophobicContact CZ2-CB 3.68Å; W42-R136 HydrophobicContact CZ2-CG 4.29Å; W42-R136 WeakPolarHBondContact CZ2-O 3.45Å; W42-H139 PolarHBondContact NE1-O 2.72Å; W42-Y140 HydrophobicContact CZ2-CD1 4.29Å; W42-Y140 HydrophobicContact CZ2-CE1 4.41Å; W42-P141 HydrophobicContact CB-CG 4.17Å; W42-P141 HydrophobicContact CD2-CG 4.23Å; W42-P141 HydrophobicContact CG-CG 3.79Å; W42-E143 WeakPolarHBondContact CA-OE2 3.5Å; W42-E143 HydrophobicContact CB-CG 4.49Å; W42-E143 WeakPolarHBondContact CB-OE2 3.5Å; W42-E143 PolarHBondContact N-OE1 2.93Å; W42-E143 PolarHBondContact N-OE2 3.22Å
43N94.2Very high95.7Very high0 Ų037.5 Ų37.50%019%0.189CC..Hα-helixtrans-54.6-46.6175.3-167.5-96.7000111.5Q39 F40 Y48 E143 D311 E313Q39-N43 HydrophobicContact CG-CB 4.34Å; Q39-N43 PolarHBondContact NE2-OD1 2.99Å; F40-N43 HydrophobicContact CB-CB 4.02Å; N43-Y48 WeakPolarHBondContact O-CB 3.41Å; N43-Y48 VanDerWaalsContact O-CD2 3.23Å; N43-Y48 WeakPolarHBondContact O-CD2 3.47Å; N43-Y48 PolarHBondContact O-N 2.87Å; N43-Y48 VanDerWaalsContact OD1-CB 3.26Å; N43-Y48 WeakPolarHBondContact OD1-CB 3.41Å; N43-E143 PolarHBondContact N-OE2 3.32Å; N43-D311 PolarHBondContact ND2-O 3.37Å; N43-E313 HydrophobicContact CB-CB 4.39Å; N43-E313 VanDerWaalsContact CG-N 3.31Å; N43-E313 PolarHBondContact ND2-N 3.38Å; N43-E313 PolarHBondContact OD1-N 3.05Å; N43-E313 VanDerWaalsContact OD1-N 3.1Å
44K94.3Very high95.7Very high112 Ų11234 Ų3449%0.48717%0.171SC..Hα-helixtrans-65-42.7175.1-173.7168.9-175.81650113.1Q39 F40 S41 W42 Y46 G47 D52Q39-K44 HydrophobicContact CG-CB 4.36Å; F40-K44 WeakPolarHBondContact O-CB 3.32Å; F40-K44 PolarHBondContact O-N 2.82Å; S41-K44 PolarHBondContact O-N 3.4Å; W42-K44 VanDerWaalsContact C-N 3.3Å; W42-K44 PolarHBondContact O-N 3.04Å; K44-Y46 VanDerWaalsContact C-N 3.35Å; K44-Y46 PolarHBondContact O-N 3.07Å; K44-G47 PolarHBondContact O-N 3.15Å; K44-G47 VanDerWaalsContact O-N 3.14Å; K44-D52 IonicContact NZ-OD1 3.39Å
45L92.8Very high95.7Very high90 Ų9032.9 Ų32.947%0.47116%0.164SC..Hα-helixtrans-61.3-42.3179.8-178.474.1000112.2S41 W42 G47S41-L45 WeakPolarHBondContact O-CB 3.48Å; S41-L45 PolarHBondContact O-N 3.34Å; W42-L45 HydrophobicContact CE3-CD2 3.59Å; W42-L45 HydrophobicContact CZ3-CD2 3.61Å; W42-L45 PolarHBondContact O-N 3.44Å; W42-L45 VanDerWaalsContact O-N 3.11Å; L45-G47 PolarHBondContact O-N 3.25Å; L45-G47 VanDerWaalsContact O-N 3.14Å
46Y90.7Very high95.7Very high101 Ų10131.3 Ų31.340%0.39616%0.157SC..THydrogen-bonded Turntrans-74.96.8178.4-72.9-66.2000113.5W42 K44 F309W42-Y46 HydrophobicContact CB-CD2 4.2Å; W42-Y46 HydrophobicContact CB-CE2 4.17Å; W42-Y46 HydrophobicContact CD2-CE2 4.36Å; W42-Y46 HydrophobicContact CE3-CD2 4.37Å; W42-Y46 AromaticContact CE3-CE2 3.57Å; W42-Y46 HydrophobicContact CE3-CE2 3.57Å; W42-Y46 HydrophobicContact CZ3-CE2 4.29Å; W42-Y46 WeakPolarHBondContact O-CD2 3.47Å; W42-Y46 PolarHBondContact O-N 2.84Å; K44-Y46 VanDerWaalsContact C-N 3.35Å; K44-Y46 PolarHBondContact O-N 3.07Å; Y46-F309 HydrophobicContact CD2-CE1 4.5Å
47G90Very high95.6Very high38 Ų3831.1 Ų31.139%0.39216%0.156SC..THydrogen-bonded Turntrans83.719.116700000114.7K44 L45 K49K44-G47 PolarHBondContact O-N 3.15Å; K44-G47 VanDerWaalsContact O-N 3.14Å; L45-G47 PolarHBondContact O-N 3.25Å; L45-G47 VanDerWaalsContact O-N 3.14Å; G47-K49 WeakPolarHBondContact O-CG 3.4Å; G47-K49 PolarHBondContact O-N 3.17Å; G47-K49 VanDerWaalsContact O-N 3.14Å
48Y93.7Very high95.5Very high11 Ų1132.5 Ų32.54%0.04316%0.163CC..  trans-65.1111.1172.9-73.4-98.6000109.5Q39 N43 A50 L68 F309 D311 N312Q39-Y48 PolarHBondContact NE2-O 3.22Å; N43-Y48 WeakPolarHBondContact O-CB 3.41Å; N43-Y48 VanDerWaalsContact O-CD2 3.23Å; N43-Y48 WeakPolarHBondContact O-CD2 3.47Å; N43-Y48 PolarHBondContact O-N 2.87Å; N43-Y48 VanDerWaalsContact OD1-CB 3.26Å; N43-Y48 WeakPolarHBondContact OD1-CB 3.41Å; Y48-A50 PolarHBondContact O-N 2.77Å; Y48-L68 HydrophobicContact CE1-CD2 4.07Å; Y48-F309 HydrophobicContact CE2-CB 4.46Å; Y48-F309 PolarHBondContact OH-O 2.88Å; Y48-D311 WeakPolarHBondContact CD1-O 3.29Å; Y48-N312 WeakPolarHBondContact CB-OD1 3.29Å
49K94.1Very high95.4Very high123 Ų12332.6 Ų32.654%0.53516%0.162SC..  trans-86.299.8-172.8-60.6179.4-174.5164.30110.1G47 L58 E59 N312G47-K49 WeakPolarHBondContact O-CG 3.4Å; G47-K49 PolarHBondContact O-N 3.17Å; G47-K49 VanDerWaalsContact O-N 3.14Å; K49-L58 HydrophobicContact CB-CB 4.12Å; K49-L58 PolarHBondContact O-N 2.78Å; K49-E59 HydrophobicContact CB-CG 4.18Å; K49-E59 HydrophobicContact CD-CG 4.13Å; K49-N312 PolarHBondContact N-OD1 2.75Å; K49-N312 PolarHBondContact O-OD1 3.05Å
50A96.9Very high95.3Very high10 Ų1033.5 Ų33.58%0.08317%0.169CC..BIsolated β-bridgetrans-120.5155.3174.600000111.7Y48 D52 L55 C56 L58 N312Y48-A50 PolarHBondContact O-N 2.77Å; A50-D52 PolarHBondContact O-N 2.83Å; A50-L55 HydrophobicContact CB-CD2 4.14Å; A50-C56 CarbonylContact C-O 3.57Å; A50-C56 WeakPolarHBondContact CA-O 3.42Å; A50-L58 WeakPolarHBondContact O-CD1 3.5Å; A50-N312 HydrophobicContact CB-CB 3.85Å
51C98.1Very high95.3Very high0 Ų033 Ų330%017%0.166CC..  trans-59.3126.1166.5173.20000109.3H53 C54 L55 C56 L58 C99C51-H53 PolarHBondContact O-N 3.02Å; C51-H53 VanDerWaalsContact O-N 3.11Å; C51-H53 PolarHBondContact SG-N 3Å; C51-H53 VanDerWaalsContact SG-N 3.42Å; C51-C54 VanDerWaalsContact SG-SG 3.66Å; C51-L55 WeakPolarHBondContact O-CA 3.23Å; C51-L55 PolarHBondContact O-N 3.34Å; C51-C56 HydrophobicContact CB-CB 3.99Å; C51-C56 PolarHBondContact N-O 3.03Å; C51-L58 HydrophobicContact CB-CD2 4.32Å; C51-C99 HydrophobicContact CB-CB 3.87Å; C51-C99 PolarHBondContact SG-N 3.39Å
52D97.8Very high95.3Very high15 Ų1535 Ų358%0.0818%0.175CC..THydrogen-bonded Turntrans-63.2-22.9-177.8-171.380.8000112.4K44 A50 V96 N97 Y98 Y111 R152K44-D52 IonicContact NZ-OD1 3.39Å; A50-D52 PolarHBondContact O-N 2.83Å; D52-V96 HydrophobicContact CB-CG1 3.36Å; D52-N97 PolarHBondContact N-O 3.17Å; D52-Y98 HydrophobicContact CB-CD1 4.42Å; D52-Y98 HydrophobicContact CB-CE1 3.92Å; D52-Y111 VanDerWaalsContact C-OH 3.27Å; D52-Y111 PolarHBondContact O-OH 3.18Å; D52-Y111 WeakPolarHBondContact OD2-CE2 3.48Å; D52-Y111 PolarHBondContact OD2-OH 3.06Å; D52-R152 VanDerWaalsContact O-CZ 3.24Å; D52-R152 PolarHBondContact O-NH1 3.4Å; D52-R152 PolarHBondContact O-NH2 2.88Å; D52-R152 IonicContact OD1-NH2 2.88Å; D52-R152 PolarHBondContact OD1-NH2 3.48Å; D52-R152 IonicContact OD2-CZ 2.98Å; D52-R152 IonicContact OD2-NH2 3.67Å; D52-R152 PolarHBondContact OD2-NH2 3.46Å
53H98.1Very high95.4Very high48 Ų4838 Ų3822%0.22219%0.19CC..THydrogen-bonded Turntrans-86.8-51.9179.5-173.360000114.2C37 C51 Y98 C103 A107 Y111C37-H53 PolarHBondContact SG-O 3.37Å; C51-H53 PolarHBondContact O-N 3.02Å; C51-H53 VanDerWaalsContact O-N 3.11Å; C51-H53 PolarHBondContact SG-N 3Å; C51-H53 VanDerWaalsContact SG-N 3.42Å; H53-Y98 HydrophobicContact CB-CD1 3.95Å; H53-Y98 HydrophobicContact CB-CE1 4.13Å; H53-C103 HydrophobicContact CB-CB 4.02Å; H53-A107 HydrophobicContact CB-CB 4.16Å; H53-Y111 WeakPolarHBondContact CA-OH 3.47Å; H53-Y111 PolarHBondContact N-OH 2.82Å; H53-Y111 AromaticContact ND1-CE1 3.83Å
54C97.5Very high95.5Very high15 Ų1538 Ų3810%0.10119%0.191CC..THydrogen-bonded Turntrans-1208.6-168.870.50000114C51 C56 C99 N340 S341C51-C54 VanDerWaalsContact SG-SG 3.66Å; C54-C56 PolarHBondContact O-N 3.11Å; C54-C56 WeakPolarHBondContact SG-CB 3.49Å; C54-C99 PolarHBondContact SG-SG 2.93Å; C54-N340 HydrophobicContact CB-CB 4.32Å; C54-N340 CarbonylContact O-C 3.18Å; C54-N340 WeakPolarHBondContact O-CA 3.29Å; C54-S341 WeakPolarHBondContact CA-OG 3.25Å; C54-S341 WeakPolarHBondContact O-CB 3.4Å; C54-S341 PolarHBondContact O-N 2.91Å; C54-S341 PolarHBondContact O-OG 3.36Å
55L97.6Very high95.5Very high1 Ų132.7 Ų32.71%0.00517%0.167CC..  trans57.814.2-177-63.8172.3000115Q39 A50 C51 I264 T266Q39-L55 HydrophobicContact CB-CD2 3.61Å; Q39-L55 HydrophobicContact CG-CD2 3.98Å; A50-L55 HydrophobicContact CB-CD2 4.14Å; C51-L55 WeakPolarHBondContact O-CA 3.23Å; C51-L55 PolarHBondContact O-N 3.34Å; L55-I264 HydrophobicContact CB-CG2 4.39Å; L55-I264 HydrophobicContact CD1-CB 3.78Å; L55-I264 HydrophobicContact CD1-CD1 3.84Å; L55-I264 HydrophobicContact CD1-CG1 4.45Å; L55-I264 HydrophobicContact CD1-CG2 3.65Å; L55-T266 HydrophobicContact CB-CG2 4.28Å; L55-T266 WeakPolarHBondContact O-CB 3.45Å; L55-T266 WeakPolarHBondContact O-CG2 3.29Å; L55-T266 PolarHBondContact O-OG1 3.2Å
56C97.6Very high95.7Very high13 Ų1331.8 Ų31.89%0.08816%0.158CC..  trans-56.4128.9172.91750000110.7A50 C51 C54 L58 C99 V339 N340A50-C56 CarbonylContact C-O 3.57Å; A50-C56 WeakPolarHBondContact CA-O 3.42Å; C51-C56 HydrophobicContact CB-CB 3.99Å; C51-C56 PolarHBondContact N-O 3.03Å; C54-C56 PolarHBondContact O-N 3.11Å; C54-C56 WeakPolarHBondContact SG-CB 3.49Å; C56-L58 PolarHBondContact O-N 3.05Å; C56-C99 HydrophobicContact CB-CB 3.82Å; C56-V339 WeakPolarHBondContact CA-O 3.36Å; C56-V339 VanDerWaalsContact CB-O 3.24Å; C56-V339 WeakPolarHBondContact CB-O 3.4Å; C56-V339 PolarHBondContact SG-O 2.77Å; C56-N340 HydrophobicContact CB-CB 4.39Å
57P96.9Very high95.9Very high1 Ų130.1 Ų30.11%0.00615%0.151CC..BIsolated β-bridgetrans-56.6138.5176.2-21.832.4000110.6F83 A268P57-F83 HydrophobicContact CB-CD1 4.38Å; P57-F83 HydrophobicContact CB-CE1 3.86Å; P57-F83 HydrophobicContact CB-CZ 4.49Å; P57-F83 HydrophobicContact CG-CE1 4.31Å; P57-F83 VanDerWaalsContact O-CE1 3.29Å; P57-F83 WeakPolarHBondContact O-CE1 3.23Å; P57-A268 HydrophobicContact CB-CB 4.06Å
58L97Very high96.1Very high32 Ų3228.3 Ų28.317%0.16813%0.132CC..  trans-102.8-3.5176.6-59.9177.7000112.7K49 A50 C51 C56 A88 N97 C99K49-L58 HydrophobicContact CB-CB 4.12Å; K49-L58 PolarHBondContact O-N 2.78Å; A50-L58 WeakPolarHBondContact O-CD1 3.5Å; C51-L58 HydrophobicContact CB-CD2 4.32Å; C56-L58 PolarHBondContact O-N 3.05Å; L58-A88 HydrophobicContact CD2-CB 4.44Å; L58-N97 HydrophobicContact CD1-CB 3.41Å; L58-N97 VanDerWaalsContact CD1-CB 3.41Å; L58-C99 HydrophobicContact CD2-CB 4Å
59E95.2Very high96.1Very high11 Ų1128.6 Ų28.65%0.05114%0.135CC..SBendtrans-92.7148.6171.4-62.3177.8137.900109.6K49 E63 N64 R67 A268K49-E59 HydrophobicContact CB-CG 4.18Å; K49-E59 HydrophobicContact CD-CG 4.13Å; E59-E63 HydrophobicContact CB-CB 4.14Å; E59-N64 HydrophobicContact CB-CB 4.07Å; E59-N64 PolarHBondContact OE2-ND2 3Å; E59-R67 IonicContact OE1-CZ 3.43Å; E59-R67 IonicContact OE1-NE 3.89Å; E59-R67 PolarHBondContact OE1-NE 3.32Å; E59-R67 IonicContact OE2-CZ 3.93Å; E59-R67 IonicContact OE2-NE 2.95Å; E59-R67 PolarHBondContact OE2-NE 2.88Å; E59-R67 VanDerWaalsContact OE2-NE 3.11Å; E59-R67 IonicContact OE2-NH2 3.84Å; E59-R67 PolarHBondContact OE2-NH2 2.99Å; E59-A268 WeakPolarHBondContact O-CB 3.18Å
60T95.2Very high96.1Very high31 Ų3128.2 Ų28.219%0.1914%0.139CC..  trans-67.7162.2162.659.30000110.9E62 E63 N64 F83 H84T60-E62 PolarHBondContact O-N 2.86Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.46Å; T60-E63 PolarHBondContact N-OE2 2.98Å; T60-E63 PolarHBondContact O-N 3.22Å; T60-E63 WeakPolarHBondContact OG1-CB 3.45Å; T60-E63 VanDerWaalsContact OG1-CD 3.28Å; T60-E63 WeakPolarHBondContact OG1-CG 3.35Å; T60-E63 PolarHBondContact OG1-N 3.13Å; T60-E63 VanDerWaalsContact OG1-N 3.16Å; T60-E63 PolarHBondContact OG1-OE2 2.84Å; T60-N64 WeakPolarHBondContact O-CB 3.39Å; T60-N64 PolarHBondContact O-N 2.78Å; T60-F83 VanDerWaalsContact CA-O 3.28Å; T60-F83 WeakPolarHBondContact CA-O 3.48Å; T60-H84 VanDerWaalsContact CG2-CD2 3.46Å; T60-H84 WeakPolarHBondContact CG2-CD2 3.33Å
61S95.8Very high96.1Very high0 Ų030.8 Ų30.80%015%0.151CC..Hα-helixtrans-56.7-36.4175.4-56.30000112.3I65 F83 A268 W272S61-I65 WeakPolarHBondContact O-CG2 3.48Å; S61-I65 PolarHBondContact O-N 3.46Å; S61-F83 PolarHBondContact N-O 3.47Å; S61-F83 WeakPolarHBondContact OG-CB 3.3Å; S61-F83 PolarHBondContact OG-N 3.31Å; S61-A268 PolarHBondContact OG-O 2.62Å; S61-W272 WeakPolarHBondContact OG-CB 3.14Å
62E95.2Very high96Very high48 Ų4835.8 Ų35.822%0.22418%0.184CC..Hα-helixtrans-71-47.6177.3-70-156150.500113.3T60 N64 I65 R66 L76T60-E62 PolarHBondContact O-N 2.86Å; E62-N64 PolarHBondContact O-N 2.87Å; E62-I65 WeakPolarHBondContact O-CG2 3.44Å; E62-I65 PolarHBondContact O-N 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.01Å; E62-R66 WeakPolarHBondContact O-CG 3.42Å; E62-R66 PolarHBondContact O-N 2.89Å; E62-R66 IonicContact OE1-NH2 2.81Å; E62-R66 IonicContact OE2-CZ 3.39Å; E62-R66 IonicContact OE2-NH1 3.51Å; E62-R66 PolarHBondContact OE2-NH1 2.83Å; E62-R66 IonicContact OE2-NH2 2.7Å; E62-R66 PolarHBondContact OE2-NH2 2.78Å; E62-L76 HydrophobicContact CG-CB 4.22Å; E62-L76 HydrophobicContact CG-CD1 4.22Å; E62-L76 HydrophobicContact CG-CG 4.27Å; E62-L76 PolarHBondContact OE1-N 2.95Å
63E95.3Very high95.9Very high97 Ų9739.9 Ų39.945%0.45321%0.213SC..Hα-helixtrans-59.8-41.1176.2-72163.8145.900111E59 T60 R67E59-E63 HydrophobicContact CB-CB 4.14Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.46Å; T60-E63 PolarHBondContact N-OE2 2.98Å; T60-E63 PolarHBondContact O-N 3.22Å; T60-E63 WeakPolarHBondContact OG1-CB 3.45Å; T60-E63 VanDerWaalsContact OG1-CD 3.28Å; T60-E63 WeakPolarHBondContact OG1-CG 3.35Å; T60-E63 PolarHBondContact OG1-N 3.13Å; T60-E63 VanDerWaalsContact OG1-N 3.16Å; T60-E63 PolarHBondContact OG1-OE2 2.84Å; E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.34Å; E63-R67 VanDerWaalsContact O-N 3.1Å
64N95.1Very high95.8Very high1 Ų138.4 Ų38.41%0.00521%0.207CC..Hα-helixtrans-61.3-53.9178.4-174.6-124.5000111.2E59 T60 E62 R66 R67 L68 A268 F269E59-N64 HydrophobicContact CB-CB 4.07Å; E59-N64 PolarHBondContact OE2-ND2 3Å; T60-N64 WeakPolarHBondContact O-CB 3.39Å; T60-N64 PolarHBondContact O-N 2.78Å; E62-N64 PolarHBondContact O-N 2.87Å; N64-R66 PolarHBondContact O-N 2.65Å; N64-R67 PolarHBondContact ND2-NH2 3.35Å; N64-R67 VanDerWaalsContact ND2-NH2 3.11Å; N64-R67 PolarHBondContact O-N 2.82Å; N64-L68 VanDerWaalsContact O-CG 3.26Å; N64-L68 WeakPolarHBondContact O-CG 3.46Å; N64-L68 PolarHBondContact O-N 2.92Å; N64-A268 HydrophobicContact CB-CB 4.05Å; N64-F269 WeakPolarHBondContact OD1-CB 3.35Å; N64-F269 PolarHBondContact OD1-N 3.14Å
65I95.6Very high95.7Very high0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-66.4-39.4-179.3-166.363.6000112.3S61 E62 R67 L68 T69 L74 L76 F269 L298 I302S61-I65 WeakPolarHBondContact O-CG2 3.48Å; S61-I65 PolarHBondContact O-N 3.46Å; E62-I65 WeakPolarHBondContact O-CG2 3.44Å; E62-I65 PolarHBondContact O-N 3.31Å; I65-R67 PolarHBondContact O-N 3.4Å; I65-L68 PolarHBondContact O-N 3.27Å; I65-L68 VanDerWaalsContact O-N 3.16Å; I65-T69 HydrophobicContact CD1-CG2 3.74Å; I65-T69 HydrophobicContact CG1-CG2 4.02Å; I65-T69 PolarHBondContact O-N 3.04Å; I65-T69 PolarHBondContact O-OG1 3.31Å; I65-L74 HydrophobicContact CG1-CD1 4.04Å; I65-L74 HydrophobicContact CG1-CD2 4.24Å; I65-L74 HydrophobicContact CG2-CD2 3.55Å; I65-L76 HydrophobicContact CG2-CD1 3.88Å; I65-L76 HydrophobicContact CG2-CD2 4.05Å; I65-L76 HydrophobicContact CG2-CG 3.9Å; I65-F269 HydrophobicContact CB-CD2 4.2Å; I65-F269 HydrophobicContact CD1-CD1 4.23Å; I65-F269 HydrophobicContact CD1-CD2 3.95Å; I65-F269 HydrophobicContact CD1-CE1 4.21Å; I65-F269 HydrophobicContact CD1-CE2 3.95Å; I65-F269 HydrophobicContact CD1-CG 4.1Å; I65-F269 HydrophobicContact CD1-CZ 4.08Å; I65-F269 HydrophobicContact CG1-CD2 4.25Å; I65-F269 HydrophobicContact CG1-CE2 4.27Å; I65-L298 HydrophobicContact CD1-CB 4.32Å; I65-L298 HydrophobicContact CD1-CD2 4.42Å; I65-L298 HydrophobicContact CG1-CD1 4.36Å; I65-L298 HydrophobicContact CG1-CD2 4.15Å; I65-I302 HydrophobicContact CD1-CD1 3.41Å; I65-I302 VanDerWaalsContact CD1-CD1 3.41Å; I65-I302 HydrophobicContact CD1-CG1 3.8Å
66R96.1Very high95.6Very high72 Ų7242.6 Ų42.627%0.27223%0.232SC..Hα-helixtrans-57.8-40176.8-74.6175.3179.8136.914111.5E62 N64 N70 N71 P72 L74E62-R66 WeakPolarHBondContact O-CB 3.01Å; E62-R66 WeakPolarHBondContact O-CG 3.42Å; E62-R66 PolarHBondContact O-N 2.89Å; E62-R66 IonicContact OE1-NH2 2.81Å; E62-R66 IonicContact OE2-CZ 3.39Å; E62-R66 IonicContact OE2-NH1 3.51Å; E62-R66 PolarHBondContact OE2-NH1 2.83Å; E62-R66 IonicContact OE2-NH2 2.7Å; E62-R66 PolarHBondContact OE2-NH2 2.78Å; N64-R66 PolarHBondContact O-N 2.65Å; R66-N70 CarbonylContact O-C 3.49Å; R66-N70 WeakPolarHBondContact O-CA 3.24Å; R66-N70 PolarHBondContact O-N 3.28Å; R66-N71 WeakPolarHBondContact CG-O 3.23Å; R66-N71 PolarHBondContact O-N 3.19Å; R66-P72 WeakPolarHBondContact CD-O 3.48Å; R66-P72 PolarHBondContact NE-O 2.82Å; R66-L74 HydrophobicContact CG-CB 4.19Å; R66-L74 VanDerWaalsContact CZ-O 3.3Å; R66-L74 PolarHBondContact NE-O 2.99Å; R66-L74 PolarHBondContact NH2-O 3.37Å
67R94.5Very high95.5Very high65 Ų6544.5 Ų44.525%0.24524%0.244CC..Hα-helixtrans-67.8-51.4174.3179.5178.360.374.1-3111.1E59 E63 N64 I65 T69 N70E59-R67 IonicContact OE1-CZ 3.43Å; E59-R67 IonicContact OE1-NE 3.89Å; E59-R67 PolarHBondContact OE1-NE 3.32Å; E59-R67 IonicContact OE2-CZ 3.93Å; E59-R67 IonicContact OE2-NE 2.95Å; E59-R67 PolarHBondContact OE2-NE 2.88Å; E59-R67 VanDerWaalsContact OE2-NE 3.11Å; E59-R67 IonicContact OE2-NH2 3.84Å; E59-R67 PolarHBondContact OE2-NH2 2.99Å; E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.34Å; E63-R67 VanDerWaalsContact O-N 3.1Å; N64-R67 PolarHBondContact ND2-NH2 3.35Å; N64-R67 VanDerWaalsContact ND2-NH2 3.11Å; N64-R67 PolarHBondContact O-N 2.82Å; I65-R67 PolarHBondContact O-N 3.4Å; R67-T69 VanDerWaalsContact C-N 3.26Å; R67-T69 PolarHBondContact O-N 2.87Å; R67-N70 PolarHBondContact O-N 2.84Å
68L94.4Very high95.3Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-64.7-27.7-174.9-67173.6000113.4Y48 N64 I65 I302 H305 V306Y48-L68 HydrophobicContact CE1-CD2 4.07Å; N64-L68 VanDerWaalsContact O-CG 3.26Å; N64-L68 WeakPolarHBondContact O-CG 3.46Å; N64-L68 PolarHBondContact O-N 2.92Å; I65-L68 PolarHBondContact O-N 3.27Å; I65-L68 VanDerWaalsContact O-N 3.16Å; L68-I302 HydrophobicContact CB-CG1 3.94Å; L68-I302 HydrophobicContact CB-CG2 4.35Å; L68-I302 HydrophobicContact CD1-CD1 4.45Å; L68-H305 WeakPolarHBondContact O-CB 3.38Å; L68-H305 PolarHBondContact O-CD2 3.46Å; L68-V306 HydrophobicContact CD2-CG2 4.07Å
69T95Very high95.1Very high18 Ų1850.1 Ų50.111%0.1128%0.276CS..THydrogen-bonded Turntrans-102.11.8176.867.80000113.5I65 R67 N71 L74 A301 I302I65-T69 HydrophobicContact CD1-CG2 3.74Å; I65-T69 HydrophobicContact CG1-CG2 4.02Å; I65-T69 PolarHBondContact O-N 3.04Å; I65-T69 PolarHBondContact O-OG1 3.31Å; R67-T69 VanDerWaalsContact C-N 3.26Å; R67-T69 PolarHBondContact O-N 2.87Å; T69-N71 PolarHBondContact O-N 3.49Å; T69-N71 VanDerWaalsContact O-N 3.16Å; T69-N71 VanDerWaalsContact OG1-CB 3.29Å; T69-N71 WeakPolarHBondContact OG1-CB 3.34Å; T69-L74 HydrophobicContact CG2-CD1 4.21Å; T69-L74 WeakPolarHBondContact OG1-CD1 3.48Å; T69-A301 HydrophobicContact CG2-CB 3.93Å; T69-I302 HydrophobicContact CG2-CG1 3.81Å
70N94.4Very high95Very high114 Ų11455.9 Ų55.961%0.6130%0.303SS*.THydrogen-bonded Turntrans46.442.2-169.2-166.627.8000113.7R66 R67R66-N70 CarbonylContact O-C 3.49Å; R66-N70 WeakPolarHBondContact O-CA 3.24Å; R66-N70 PolarHBondContact O-N 3.28Å; R67-N70 PolarHBondContact O-N 2.84Å
71N96.4Very high95Very high65 Ų6554.5 Ų54.535%0.34830%0.295SS..  trans-126.789.8-176.2-173.1-7.5000110.7R66 T69 S73 L74R66-N71 WeakPolarHBondContact CG-O 3.23Å; R66-N71 PolarHBondContact O-N 3.19Å; T69-N71 PolarHBondContact O-N 3.49Å; T69-N71 VanDerWaalsContact O-N 3.16Å; T69-N71 VanDerWaalsContact OG1-CB 3.29Å; T69-N71 WeakPolarHBondContact OG1-CB 3.34Å; N71-S73 PolarHBondContact O-N 3.22Å; N71-S73 PolarHBondContact OD1-N 3.46Å; N71-S73 PolarHBondContact OD1-OG 2.84Å; N71-L74 HydrophobicContact CB-CB 4.16Å; N71-L74 HydrophobicContact CB-CD1 4.29Å; N71-L74 VanDerWaalsContact O-CB 3.3Å; N71-L74 WeakPolarHBondContact O-CB 3.4Å; N71-L74 PolarHBondContact O-N 3.12Å
72P95.5Very high95Very high104 Ų10455.2 Ų55.268%0.67530%0.3SS*.THydrogen-bonded Turntrans-64.4-21.6-176.4-23.834.5000115.1R66R66-P72 WeakPolarHBondContact CD-O 3.48Å; R66-P72 PolarHBondContact NE-O 2.82Å
73S96.1Very high95Very high101 Ų10154 Ų5471%0.70629%0.294SS*.THydrogen-bonded Turntrans-90.4-1.6-179.4580000113.7N71N71-S73 PolarHBondContact O-N 3.22Å; N71-S73 PolarHBondContact OD1-N 3.46Å; N71-S73 PolarHBondContact OD1-OG 2.84Å
74L95.6Very high94.9Very high18 Ų1853.9 Ų53.99%0.09429%0.294CS..  trans-64.3133.8179.1-165.1161.6000110.6I65 R66 T69 N71 L76 L298I65-L74 HydrophobicContact CG1-CD1 4.04Å; I65-L74 HydrophobicContact CG1-CD2 4.24Å; I65-L74 HydrophobicContact CG2-CD2 3.55Å; R66-L74 HydrophobicContact CG-CB 4.19Å; R66-L74 VanDerWaalsContact CZ-O 3.3Å; R66-L74 PolarHBondContact NE-O 2.99Å; R66-L74 PolarHBondContact NH2-O 3.37Å; T69-L74 HydrophobicContact CG2-CD1 4.21Å; T69-L74 WeakPolarHBondContact OG1-CD1 3.48Å; N71-L74 HydrophobicContact CB-CB 4.16Å; N71-L74 HydrophobicContact CB-CD1 4.29Å; N71-L74 VanDerWaalsContact O-CB 3.3Å; N71-L74 WeakPolarHBondContact O-CB 3.4Å; N71-L74 PolarHBondContact O-N 3.12Å; L74-L76 HydrophobicContact CD2-CD2 3.95Å; L74-L76 HydrophobicContact CD2-CG 4.22Å; L74-L298 HydrophobicContact CD1-CD2 3.66Å; L74-L298 HydrophobicContact CD2-CD2 4.43Å; L74-L298 HydrophobicContact CG-CD2 4.41Å
75V95.6Very high94.8Very high96 Ų9655.1 Ų55.158%0.58230%0.302SS*.  trans-126.1131.5177178.40000107.8
76L96.3Very high94.4Very high7 Ų762 Ų624%0.03734%0.338CS..  trans-87.6134.3177.6-69.3176.1000109.8E62 I65 L74 F269 W272 F294 L298E62-L76 HydrophobicContact CG-CB 4.22Å; E62-L76 HydrophobicContact CG-CD1 4.22Å; E62-L76 HydrophobicContact CG-CG 4.27Å; E62-L76 PolarHBondContact OE1-N 2.95Å; I65-L76 HydrophobicContact CG2-CD1 3.88Å; I65-L76 HydrophobicContact CG2-CD2 4.05Å; I65-L76 HydrophobicContact CG2-CG 3.9Å; L74-L76 HydrophobicContact CD2-CD2 3.95Å; L74-L76 HydrophobicContact CD2-CG 4.22Å; L76-F269 HydrophobicContact CD1-CD2 4.48Å; L76-F269 HydrophobicContact CD2-CE2 4.27Å; L76-W272 HydrophobicContact CB-CZ2 4.16Å; L76-W272 HydrophobicContact CD1-CD2 4.03Å; L76-W272 HydrophobicContact CD1-CE3 4.46Å; L76-W272 HydrophobicContact CD1-CG 4.14Å; L76-W272 HydrophobicContact CD2-CD2 4.47Å; L76-W272 HydrophobicContact CD2-CE3 4.39Å; L76-W272 HydrophobicContact CD2-CH2 4.08Å; L76-W272 HydrophobicContact CD2-CZ2 4.12Å; L76-W272 HydrophobicContact CD2-CZ3 4.2Å; L76-F294 HydrophobicContact CD2-CE1 4.17Å; L76-F294 HydrophobicContact CD2-CZ 4.35Å; L76-L298 HydrophobicContact CD2-CD1 3.77Å
77P94.1Very high94.2Very high53 Ų5364.6 Ų64.634%0.34435%0.354SS..SBendtrans-67.3167.8166.729.3-31.1000110.4W272 F294P77-W272 HydrophobicContact CG-CH2 4.48Å; P77-W272 HydrophobicContact CG-CZ2 3.98Å; P77-W272 WeakPolarHBondContact O-CZ2 3.34Å; P77-W272 PolarHBondContact O-NE1 2.58Å; P77-F294 VanDerWaalsContact CD-CE1 3.46Å; P77-F294 HydrophobicContact CG-CD1 4.29Å; P77-F294 HydrophobicContact CG-CE1 3.91Å; P77-F294 HydrophobicContact CG-CZ 4.45Å
78Y93.9Very high94.2Very high65 Ų6564.3 Ų64.326%0.25537%0.365SS..  trans56.758179.7-48.3-78000112.8E80 A81 L279 V280 Y291Y78-E80 VanDerWaalsContact C-OE2 3.26Å; Y78-E80 WeakPolarHBondContact CA-OE2 3.37Å; Y78-E80 PolarHBondContact O-N 3.42Å; Y78-E80 VanDerWaalsContact O-N 3.09Å; Y78-A81 WeakPolarHBondContact O-CB 3.5Å; Y78-A81 PolarHBondContact O-N 2.94Å; Y78-L279 HydrophobicContact CD1-CD1 4.35Å; Y78-V280 HydrophobicContact CE1-CG2 4.29Å; Y78-V280 HydrophobicContact CE2-CG2 3.74Å; Y78-Y291 HydrophobicContact CE2-CD2 4.01Å; Y78-Y291 HydrophobicContact CE2-CE2 4.45Å
79S91.8Very high94.4Very high86 Ų8666.5 Ų66.560%0.60138%0.378SS*.G310 helixtrans-54.6-28-179.459.60000114A81 S82S79-A81 PolarHBondContact O-N 2.93Å; S79-S82 WeakPolarHBondContact O-CB 3.23Å; S79-S82 PolarHBondContact O-N 3.1Å; S79-S82 VanDerWaalsContact O-N 3.11Å
80E93.9Very high94.5Very high132 Ų13270.3 Ų70.362%0.61740%0.395SS*.G310 helixtrans-66.1-21174.662.6-88.3-152.800113.8Y78 L279Y78-E80 VanDerWaalsContact C-OE2 3.26Å; Y78-E80 WeakPolarHBondContact CA-OE2 3.37Å; Y78-E80 PolarHBondContact O-N 3.42Å; Y78-E80 VanDerWaalsContact O-N 3.09Å; E80-L279 HydrophobicContact CG-CD1 3.91Å
81A95.1Very high94.6Very high2 Ų265.1 Ų65.12%0.01737%0.367CS..G310 helixtrans-91-0.7174.100000112.8Y78 S79 W272 Q275 L279Y78-A81 WeakPolarHBondContact O-CB 3.5Å; Y78-A81 PolarHBondContact O-N 2.94Å; S79-A81 PolarHBondContact O-N 2.93Å; A81-W272 WeakPolarHBondContact O-CA 3.28Å; A81-Q275 HydrophobicContact CB-CB 3.7Å; A81-Q275 PolarHBondContact O-OE1 2.88Å; A81-L279 HydrophobicContact CB-CD1 4.15Å
82S95.1Very high94.6Very high16 Ų1666.8 Ų66.811%0.11238%0.382CS..  trans-73.2134.3-178.5178.90000111.2S79 H84S79-S82 WeakPolarHBondContact O-CB 3.23Å; S79-S82 PolarHBondContact O-N 3.1Å; S79-S82 VanDerWaalsContact O-N 3.11Å; S82-H84 VanDerWaalsContact CB-CE1 3.49Å; S82-H84 WeakPolarHBondContact CB-CE1 3.41Å; S82-H84 PolarHBondContact O-ND1 3.4Å; S82-H84 PolarHBondContact OG-CE1 3.27Å
83F95.2Very high94.5Very high23 Ų2366.2 Ų66.210%0.10137%0.373CS..  trans-71.8136.3171.8175.6-93000110.7P57 T60 S61 C85 A268 V271 V339P57-F83 HydrophobicContact CB-CD1 4.38Å; P57-F83 HydrophobicContact CB-CE1 3.86Å; P57-F83 HydrophobicContact CB-CZ 4.49Å; P57-F83 HydrophobicContact CG-CE1 4.31Å; P57-F83 VanDerWaalsContact O-CE1 3.29Å; P57-F83 WeakPolarHBondContact O-CE1 3.23Å; T60-F83 VanDerWaalsContact CA-O 3.28Å; T60-F83 WeakPolarHBondContact CA-O 3.48Å; S61-F83 PolarHBondContact N-O 3.47Å; S61-F83 WeakPolarHBondContact OG-CB 3.3Å; S61-F83 PolarHBondContact OG-N 3.31Å; F83-C85 HydrophobicContact CE1-CB 4.23Å; F83-C85 HydrophobicContact CZ-CB 4.42Å; F83-A268 HydrophobicContact CB-CB 4.12Å; F83-A268 HydrophobicContact CD1-CB 3.62Å; F83-A268 HydrophobicContact CE1-CB 4.47Å; F83-A268 HydrophobicContact CG-CB 4.17Å; F83-V271 HydrophobicContact CB-CB 4.11Å; F83-V271 HydrophobicContact CB-CG1 3.95Å; F83-V271 HydrophobicContact CD2-CB 4.46Å; F83-V271 HydrophobicContact CD2-CG1 4.08Å; F83-V271 HydrophobicContact CD2-CG2 4.46Å; F83-V271 HydrophobicContact CG-CG1 4.42Å; F83-V339 HydrophobicContact CD2-CG1 4.2Å; F83-V339 HydrophobicContact CE2-CB 4.12Å; F83-V339 HydrophobicContact CE2-CG1 4.03Å
84H93.5Very high94.3Very high94 Ų9462 Ų6244%0.43534%0.344SS..  trans-139.6129.5177.3-63.987000111.3T60 S82 N86T60-H84 VanDerWaalsContact CG2-CD2 3.46Å; T60-H84 WeakPolarHBondContact CG2-CD2 3.33Å; S82-H84 VanDerWaalsContact CB-CE1 3.49Å; S82-H84 WeakPolarHBondContact CB-CE1 3.41Å; S82-H84 PolarHBondContact O-ND1 3.4Å; S82-H84 PolarHBondContact OG-CE1 3.27Å; H84-N86 WeakPolarHBondContact CB-OD1 3.31Å; H84-N86 PolarHBondContact O-N 2.76Å
85C92.6Very high94.3Very high26 Ų2665.7 Ų65.718%0.17636%0.363CS..  trans-94.984.7172.4179.60000111F83 Q87 C99F83-C85 HydrophobicContact CE1-CB 4.23Å; F83-C85 HydrophobicContact CZ-CB 4.42Å; C85-Q87 VanDerWaalsContact C-N 3.33Å; C85-Q87 PolarHBondContact O-N 2.97Å; C85-C99 VanDerWaalsContact SG-CA 3.58Å; C85-C99 VanDerWaalsContact SG-CB 3.5Å
86N87.3Confident94.3Very high144 Ų14462.9 Ų62.977%0.7735%0.346SS*.THydrogen-bonded Turntrans-74.2-12.7-168.5-65.3-28.5000116.1H84H84-N86 WeakPolarHBondContact CB-OD1 3.31Å; H84-N86 PolarHBondContact O-N 2.76Å
87Q91Very high94.3Very high128 Ų12866.5 Ų66.560%0.59837%0.365SS*.THydrogen-bonded Turntrans-121.525.8-172.3-63.4-175.7-14.700112.7C85 V89 C99 S100C85-Q87 VanDerWaalsContact C-N 3.33Å; C85-Q87 PolarHBondContact O-N 2.97Å; Q87-V89 PolarHBondContact O-N 3.27Å; Q87-C99 CarbonylContact C-O 3.57Å; Q87-C99 CarbonylContact O-C 3.57Å; Q87-C99 VanDerWaalsContact O-O 3.13Å; Q87-S100 WeakPolarHBondContact O-CA 3.42Å
88A96Very high94.5Very high59 Ų5964 Ų6449%0.48835%0.349SS..  trans-58128.2-179.100000111L58 Y98L58-A88 HydrophobicContact CD2-CB 4.44Å; A88-Y98 CarbonylContact C-O 3.53Å; A88-Y98 VanDerWaalsContact CA-O 3.29Å; A88-Y98 WeakPolarHBondContact CA-O 3.36Å
89V98.1Very high94.7Very high45 Ų4561.8 Ų61.827%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-130.1164.2176.8-64.80000109.3Q87 Y98 S100 P101 L104Q87-V89 PolarHBondContact O-N 3.27Å; V89-Y98 PolarHBondContact N-O 2.97Å; V89-Y98 PolarHBondContact O-N 2.88Å; V89-Y98 VanDerWaalsContact O-O 3.08Å; V89-S100 WeakPolarHBondContact CG2-O 3.1Å; V89-P101 HydrophobicContact CG1-CG 4.13Å; V89-L104 HydrophobicContact CG2-CB 4.09Å; V89-L104 HydrophobicContact CG2-CD2 4.17Å
90H97.1Very high95Very high98 Ų9858.4 Ų58.445%0.45432%0.319SS..EExtended strand (participates in β ladder)trans-126.3154.3173.361.677.6000110.8V96H90-V96 CarbonylContact C-O 3.51Å; H90-V96 WeakPolarHBondContact CA-O 3.49Å
91C97.1Very high95.2Very high5 Ų555.3 Ų55.33%0.03431%0.31CS..  trans-60.9130168.7174.30000109.3N93 C94 L95 V96 Y98 L104 H112 C116C91-N93 PolarHBondContact O-N 3.2Å; C91-C94 VanDerWaalsContact CB-SG 3.54Å; C91-L95 VanDerWaalsContact O-CA 3.25Å; C91-L95 WeakPolarHBondContact O-CA 3.2Å; C91-L95 PolarHBondContact O-N 2.73Å; C91-V96 PolarHBondContact N-O 2.89Å; C91-Y98 HydrophobicContact CB-CE2 4.22Å; C91-L104 HydrophobicContact CB-CD1 4.08Å; C91-H112 PolarHBondContact SG-NE2 3.13Å; C91-C116 PolarHBondContact SG-SG 2.89Å
92P95Very high95.3Very high100 Ų10060.5 Ų60.565%0.64934%0.338SS*.THydrogen-bonded Turntrans-66.9-21-178.326.8-35.2000113
93N93.4Very high95.5Very high92 Ų9260.5 Ų60.549%0.49234%0.338SS..THydrogen-bonded Turntrans-89.3-59.7-178.4-61.3-25.2000111.5C91 P119C91-N93 PolarHBondContact O-N 3.2Å; N93-P119 WeakPolarHBondContact O-CD 3.45Å; N93-P119 WeakPolarHBondContact O-CG 3.31Å
94C93.4Very high95.6Very high13 Ų1361.2 Ų61.29%0.08834%0.343CS..THydrogen-bonded Turntrans-97.8-9.2-171.369.20000114.7C91 V96 H112 M117C91-C94 VanDerWaalsContact CB-SG 3.54Å; C94-V96 HydrophobicContact CB-CG2 4.42Å; C94-V96 PolarHBondContact O-N 2.79Å; C94-V96 WeakPolarHBondContact SG-CG2 3.46Å; C94-H112 PolarHBondContact SG-CE1 3.19Å; C94-H112 PolarHBondContact SG-NE2 3Å; C94-H112 VanDerWaalsContact SG-NE2 3.43Å; C94-M117 WeakPolarHBondContact CA-O 3.37Å; C94-M117 WeakPolarHBondContact CB-O 3.32Å
95L94.4Very high95.8Very high95 Ų9562.6 Ų62.650%0.49735%0.349SS..  trans65.414.9-177.3-48.3176.7000115.2C91C91-L95 VanDerWaalsContact O-CA 3.25Å; C91-L95 WeakPolarHBondContact O-CA 3.2Å; C91-L95 PolarHBondContact O-N 2.73Å
96V95.6Very high96.1Very high38 Ų3863.6 Ų63.623%0.2336%0.357CS..  trans-63.8136.1171.3171.30000109.9D52 H90 C91 C94 Y98D52-V96 HydrophobicContact CB-CG1 3.36Å; H90-V96 CarbonylContact C-O 3.51Å; H90-V96 WeakPolarHBondContact CA-O 3.49Å; C91-V96 PolarHBondContact N-O 2.89Å; C94-V96 HydrophobicContact CB-CG2 4.42Å; C94-V96 PolarHBondContact O-N 2.79Å; C94-V96 WeakPolarHBondContact SG-CG2 3.46Å; V96-Y98 HydrophobicContact CB-CE2 4.29Å; V96-Y98 HydrophobicContact CG1-CE2 3.95Å; V96-Y98 WeakPolarHBondContact O-CD2 3.41Å; V96-Y98 WeakPolarHBondContact O-CE2 3.32Å
97N97.4Very high96.6Very high83 Ų8356.8 Ų56.844%0.44432%0.32SS..EExtended strand (participates in β ladder)trans-91.7145.5-173.5-60.6-60.8000113.3D52 L58D52-N97 PolarHBondContact N-O 3.17Å; L58-N97 HydrophobicContact CD1-CB 3.41Å; L58-N97 VanDerWaalsContact CD1-CB 3.41Å
98Y98.5Very high97Very high0 Ų052 Ų520%030%0.302CS..EExtended strand (participates in β ladder)trans-135.7148.3177.3-59.8-87.3000109.9D52 H53 A88 V89 C91 V96 S100 C103 L104 A107 H112D52-Y98 HydrophobicContact CB-CD1 4.42Å; D52-Y98 HydrophobicContact CB-CE1 3.92Å; H53-Y98 HydrophobicContact CB-CD1 3.95Å; H53-Y98 HydrophobicContact CB-CE1 4.13Å; A88-Y98 CarbonylContact C-O 3.53Å; A88-Y98 VanDerWaalsContact CA-O 3.29Å; A88-Y98 WeakPolarHBondContact CA-O 3.36Å; V89-Y98 PolarHBondContact N-O 2.97Å; V89-Y98 PolarHBondContact O-N 2.88Å; V89-Y98 VanDerWaalsContact O-O 3.08Å; C91-Y98 HydrophobicContact CB-CE2 4.22Å; V96-Y98 HydrophobicContact CB-CE2 4.29Å; V96-Y98 HydrophobicContact CG1-CE2 3.95Å; V96-Y98 WeakPolarHBondContact O-CD2 3.41Å; V96-Y98 WeakPolarHBondContact O-CE2 3.32Å; Y98-S100 VanDerWaalsContact C-N 3.25Å; Y98-S100 PolarHBondContact O-N 2.94Å; Y98-C103 HydrophobicContact CD1-CB 4.33Å; Y98-L104 HydrophobicContact CD2-CB 3.86Å; Y98-L104 HydrophobicContact CD2-CD1 3.58Å; Y98-L104 HydrophobicContact CD2-CG 4.25Å; Y98-L104 HydrophobicContact CE2-CB 4.4Å; Y98-L104 HydrophobicContact CE2-CD1 3.35Å; Y98-L104 HydrophobicContact CE2-CG 4.45Å; Y98-L104 HydrophobicContact CG-CB 3.91Å; Y98-L104 HydrophobicContact CG-CD1 4.4Å; Y98-A107 HydrophobicContact CD1-CB 4.2Å; Y98-A107 HydrophobicContact CE1-CB 3.34Å; Y98-H112 PolarHBondContact OH-CE1 2.81Å; Y98-H112 PolarHBondContact OH-ND1 3.05Å
99C97.9Very high97.1Very high18 Ų1852.5 Ų52.512%0.12230%0.296CS..SBendtrans-75.1-13.2-178.664.50000114.1C51 C54 C56 L58 C85 Q87 C103C51-C99 HydrophobicContact CB-CB 3.87Å; C51-C99 PolarHBondContact SG-N 3.39Å; C54-C99 PolarHBondContact SG-SG 2.93Å; C56-C99 HydrophobicContact CB-CB 3.82Å; L58-C99 HydrophobicContact CD2-CB 4Å; C85-C99 VanDerWaalsContact SG-CA 3.58Å; C85-C99 VanDerWaalsContact SG-CB 3.5Å; Q87-C99 CarbonylContact C-O 3.57Å; Q87-C99 CarbonylContact O-C 3.57Å; Q87-C99 VanDerWaalsContact O-O 3.13Å; C99-C103 PolarHBondContact SG-SG 2.8Å
100S97.8Very high97.1Very high16 Ų1650.6 Ų50.611%0.11229%0.285CS..SBendtrans-160.3159.8-179.361.80000111.8Q87 V89 Y98 N102 C103 L104Q87-S100 WeakPolarHBondContact O-CA 3.42Å; V89-S100 WeakPolarHBondContact CG2-O 3.1Å; Y98-S100 VanDerWaalsContact C-N 3.25Å; Y98-S100 PolarHBondContact O-N 2.94Å; S100-N102 PolarHBondContact O-N 3.21Å; S100-C103 PolarHBondContact O-N 2.87Å; S100-C103 PolarHBondContact OG-N 3.02Å; S100-L104 PolarHBondContact O-N 3.22Å; S100-L104 VanDerWaalsContact O-N 3.15Å
101P98.3Very high97.1Very high66 Ų6646.1 Ų46.143%0.42926%0.264SS..Hα-helixtrans-53.8-38.8168.4-26.534.9000113.2V89 C103 L104 E105V89-P101 HydrophobicContact CG1-CG 4.13Å; P101-C103 VanDerWaalsContact C-N 3.35Å; P101-C103 PolarHBondContact O-N 3.29Å; P101-L104 WeakPolarHBondContact O-CB 3.23Å; P101-L104 PolarHBondContact O-N 3.21Å; P101-E105 PolarHBondContact O-N 3.34Å
102N97.6Very high97.2Very high112 Ų11246.5 Ų46.560%0.59927%0.265SS*.Hα-helixtrans-63.3-39.5179-65.50.9000112.1S100 S106S100-N102 PolarHBondContact O-N 3.21Å; N102-S106 VanDerWaalsContact O-CB 3.26Å; N102-S106 WeakPolarHBondContact O-CB 3.36Å; N102-S106 PolarHBondContact O-N 2.82Å; N102-S106 PolarHBondContact O-OG 2.83Å
103C98.2Very high97.2Very high16 Ų1643.7 Ų43.711%0.10825%0.248CC..Hα-helixtrans-68.2-37.3175.2-790000112.1H53 Y98 C99 S100 P101 A107H53-C103 HydrophobicContact CB-CB 4.02Å; Y98-C103 HydrophobicContact CD1-CB 4.33Å; C99-C103 PolarHBondContact SG-SG 2.8Å; S100-C103 PolarHBondContact O-N 2.87Å; S100-C103 PolarHBondContact OG-N 3.02Å; P101-C103 VanDerWaalsContact C-N 3.35Å; P101-C103 PolarHBondContact O-N 3.29Å; C103-A107 WeakPolarHBondContact O-CB 3.16Å; C103-A107 PolarHBondContact O-N 2.82Å
104L98.4Very high97.4Very high38 Ų3839.3 Ų39.320%0.19923%0.225CC..Hα-helixtrans-63.1-46.9174.1170.461.6000111.2V89 C91 Y98 S100 P101 A107 A108V89-L104 HydrophobicContact CG2-CB 4.09Å; V89-L104 HydrophobicContact CG2-CD2 4.17Å; C91-L104 HydrophobicContact CB-CD1 4.08Å; Y98-L104 HydrophobicContact CD2-CB 3.86Å; Y98-L104 HydrophobicContact CD2-CD1 3.58Å; Y98-L104 HydrophobicContact CD2-CG 4.25Å; Y98-L104 HydrophobicContact CE2-CB 4.4Å; Y98-L104 HydrophobicContact CE2-CD1 3.35Å; Y98-L104 HydrophobicContact CE2-CG 4.45Å; Y98-L104 HydrophobicContact CG-CB 3.91Å; Y98-L104 HydrophobicContact CG-CD1 4.4Å; S100-L104 PolarHBondContact O-N 3.22Å; S100-L104 VanDerWaalsContact O-N 3.15Å; P101-L104 WeakPolarHBondContact O-CB 3.23Å; P101-L104 PolarHBondContact O-N 3.21Å; L104-A107 PolarHBondContact O-N 2.93Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.02Å
105E98Very high97.5Very high123 Ų12340 Ų4058%0.57523%0.228SC*.Hα-helixtrans-64-46.4177.9-176.2176.1-166.900111.7P101 A107 A108 L109P101-E105 PolarHBondContact O-N 3.34Å; E105-A107 VanDerWaalsContact C-N 3.32Å; E105-A107 PolarHBondContact O-N 3.05Å; E105-A108 WeakPolarHBondContact O-CB 3.31Å; E105-A108 PolarHBondContact O-N 2.59Å; E105-A108 VanDerWaalsContact O-N 3.15Å; E105-L109 HydrophobicContact CG-CD1 4.22Å; E105-L109 WeakPolarHBondContact O-CG 3.35Å; E105-L109 PolarHBondContact O-N 2.98Å
106S98Very high97.5Very high47 Ų4736.4 Ų36.433%0.32921%0.21SC..Hα-helixtrans-61-42.1177.9-59.40000111.5N102 T110N102-S106 VanDerWaalsContact O-CB 3.26Å; N102-S106 WeakPolarHBondContact O-CB 3.36Å; N102-S106 PolarHBondContact O-N 2.82Å; N102-S106 PolarHBondContact O-OG 2.83Å; S106-T110 VanDerWaalsContact O-CB 3.27Å; S106-T110 WeakPolarHBondContact O-CB 3.27Å; S106-T110 PolarHBondContact O-N 3.19Å; S106-T110 PolarHBondContact O-OG1 2.85Å
107A98.4Very high97.1Very high0 Ų035.6 Ų35.60%020%0.204CC..Hα-helixtrans-63.8-45.4173.700000111.8H53 Y98 C103 L104 E105 L109 T110 Y111 H112H53-A107 HydrophobicContact CB-CB 4.16Å; Y98-A107 HydrophobicContact CD1-CB 4.2Å; Y98-A107 HydrophobicContact CE1-CB 3.34Å; C103-A107 WeakPolarHBondContact O-CB 3.16Å; C103-A107 PolarHBondContact O-N 2.82Å; L104-A107 PolarHBondContact O-N 2.93Å; E105-A107 VanDerWaalsContact C-N 3.32Å; E105-A107 PolarHBondContact O-N 3.05Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 2.88Å; A107-T110 PolarHBondContact O-N 2.86Å; A107-T110 VanDerWaalsContact O-N 3.11Å; A107-Y111 HydrophobicContact CB-CE1 4.11Å; A107-Y111 HydrophobicContact CB-CE2 4.47Å; A107-Y111 PolarHBondContact O-N 3.15Å; A107-H112 VanDerWaalsContact C-CB 3.5Å; A107-H112 HydrophobicContact CB-CB 4Å; A107-H112 VanDerWaalsContact O-CB 3.28Å; A107-H112 WeakPolarHBondContact O-CB 3.28Å; A107-H112 PolarHBondContact O-N 3.45Å
108A98Very high96.1Very high27 Ų2733.2 Ų33.222%0.22320%0.195CC..Iπ-helixtrans-56.8-44.1178.100000112.6L104 E105 T110 S113L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 3.02Å; E105-A108 WeakPolarHBondContact O-CB 3.31Å; E105-A108 PolarHBondContact O-N 2.59Å; E105-A108 VanDerWaalsContact O-N 3.15Å; A108-T110 VanDerWaalsContact C-N 3.34Å; A108-S113 WeakPolarHBondContact O-CB 3.49Å; A108-S113 PolarHBondContact O-OG 2.89Å
109L98.1Very high94.7Very high70 Ų7037 Ų3737%0.36622%0.22SC..Iπ-helixtrans-72.4-27.4177.2-68173.3000112.9E105 A107 S165 S168E105-L109 HydrophobicContact CG-CD1 4.22Å; E105-L109 WeakPolarHBondContact O-CG 3.35Å; E105-L109 PolarHBondContact O-N 2.98Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 2.88Å; L109-S165 WeakPolarHBondContact O-CB 3.46Å; L109-S165 PolarHBondContact O-OG 3.4Å; L109-S168 PolarHBondContact O-OG 3.39Å
110T98.3Very high92.8Very high6 Ų643.8 Ų43.84%0.03725%0.254CS..Iπ-helixtrans-89.3-74-175.7-51.40000111S106 A107 A108 A156 S159 T167 S168 L171S106-T110 VanDerWaalsContact O-CB 3.27Å; S106-T110 WeakPolarHBondContact O-CB 3.27Å; S106-T110 PolarHBondContact O-N 3.19Å; S106-T110 PolarHBondContact O-OG1 2.85Å; A107-T110 PolarHBondContact O-N 2.86Å; A107-T110 VanDerWaalsContact O-N 3.11Å; A108-T110 VanDerWaalsContact C-N 3.34Å; T110-A156 HydrophobicContact CG2-CB 4.46Å; T110-A156 VanDerWaalsContact O-CA 3.26Å; T110-A156 WeakPolarHBondContact O-CA 3.36Å; T110-S159 VanDerWaalsContact O-CB 3.23Å; T110-S159 WeakPolarHBondContact O-CB 3.37Å; T110-S159 PolarHBondContact O-OG 3.27Å; T110-T167 WeakPolarHBondContact OG1-CG2 3.24Å; T110-S168 WeakPolarHBondContact CA-OG 3.22Å; T110-S168 PolarHBondContact O-OG 3.2Å; T110-L171 HydrophobicContact CG2-CD1 3.55Å
111Y98.2Very high91.3Very high4 Ų445.6 Ų45.62%0.01626%0.26CS..Iπ-helixtrans-130.3-19.5-169.463.9-98.1000113.3I36 D52 H53 A107 P114 L115 R152 A155I36-Y111 HydrophobicContact CG1-CD1 4.49Å; D52-Y111 VanDerWaalsContact C-OH 3.27Å; D52-Y111 PolarHBondContact O-OH 3.18Å; D52-Y111 WeakPolarHBondContact OD2-CE2 3.48Å; D52-Y111 PolarHBondContact OD2-OH 3.06Å; H53-Y111 WeakPolarHBondContact CA-OH 3.47Å; H53-Y111 PolarHBondContact N-OH 2.82Å; H53-Y111 AromaticContact ND1-CE1 3.83Å; A107-Y111 HydrophobicContact CB-CE1 4.11Å; A107-Y111 HydrophobicContact CB-CE2 4.47Å; A107-Y111 PolarHBondContact O-N 3.15Å; Y111-P114 WeakPolarHBondContact O-CD 3.43Å; Y111-L115 HydrophobicContact CD2-CD1 3.98Å; Y111-L115 WeakPolarHBondContact O-CG 3.44Å; Y111-R152 HydrophobicContact CD2-CG 3.98Å; Y111-R152 HydrophobicContact CE2-CG 4.47Å; Y111-R152 HydrophobicContact CG-CB 4.28Å; Y111-R152 HydrophobicContact CG-CG 4.09Å; Y111-R152 PolarHBondContact OH-NH1 3.46Å; Y111-R152 VanDerWaalsContact OH-NH1 3.14Å; Y111-A155 VanDerWaalsContact O-CB 3.29Å; Y111-A155 WeakPolarHBondContact O-CB 3.28Å
112H97.8Very high89.5Confident12 Ų1248.9 Ų48.96%0.05627%0.268CS..Iπ-helixtrans-74.1-37.7-167-17675.7000112.3C91 C94 Y98 A107 L115 C116C91-H112 PolarHBondContact SG-NE2 3.13Å; C94-H112 PolarHBondContact SG-CE1 3.19Å; C94-H112 PolarHBondContact SG-NE2 3Å; C94-H112 VanDerWaalsContact SG-NE2 3.43Å; Y98-H112 PolarHBondContact OH-CE1 2.81Å; Y98-H112 PolarHBondContact OH-ND1 3.05Å; A107-H112 VanDerWaalsContact C-CB 3.5Å; A107-H112 HydrophobicContact CB-CB 4Å; A107-H112 VanDerWaalsContact O-CB 3.28Å; A107-H112 WeakPolarHBondContact O-CB 3.28Å; A107-H112 PolarHBondContact O-N 3.45Å; H112-L115 CarbonylContact O-C 3.59Å; H112-L115 PolarHBondContact O-N 3.31Å; H112-C116 PolarHBondContact NE2-SG 2.92Å; H112-C116 WeakPolarHBondContact O-CA 3.44Å; H112-C116 WeakPolarHBondContact O-CB 3.13Å; H112-C116 PolarHBondContact O-N 2.91Å
113S96.4Very high87.8Confident42 Ų4247.3 Ų47.329%0.29428%0.278SS..Hα-helixtrans-57.1-47.9-177.5-60.10000113.2A108 L115A108-S113 WeakPolarHBondContact O-CB 3.49Å; A108-S113 PolarHBondContact O-OG 2.89Å; S113-L115 VanDerWaalsContact C-N 3.34Å; S113-L115 PolarHBondContact O-N 3.28Å
114P95.9Very high86.3Confident0 Ų054.4 Ų54.40%031%0.307CS..Hα-helixtrans-62-36.5171.6-15.521000114.2Y111 A155 L158 S159 F223Y111-P114 WeakPolarHBondContact O-CD 3.43Å; P114-A155 HydrophobicContact CB-CB 3.96Å; P114-A155 HydrophobicContact CG-CB 3.95Å; P114-A155 VanDerWaalsContact CG-O 3.3Å; P114-A155 WeakPolarHBondContact CG-O 3.35Å; P114-L158 HydrophobicContact CB-CB 4.36Å; P114-L158 HydrophobicContact CB-CD1 4.26Å; P114-L158 HydrophobicContact CG-CB 4.1Å; P114-S159 WeakPolarHBondContact CD-OG 3.34Å; P114-S159 WeakPolarHBondContact CG-OG 3.13Å; P114-F223 HydrophobicContact CB-CB 4.29Å; P114-F223 HydrophobicContact CB-CD1 3.77Å; P114-F223 HydrophobicContact CB-CD2 4.36Å; P114-F223 HydrophobicContact CB-CE1 4.19Å; P114-F223 HydrophobicContact CB-CG 3.9Å; P114-F223 HydrophobicContact CG-CD1 3.7Å; P114-F223 HydrophobicContact CG-CE1 3.6Å; P114-F223 HydrophobicContact CG-CE2 4.45Å; P114-F223 HydrophobicContact CG-CG 4.22Å; P114-F223 HydrophobicContact CG-CZ 3.99Å
115L95.9Very high85.2Confident28 Ų2860.9 Ų60.915%0.14734%0.336CS..Hα-helixtrans-84.2-13.7-176.8-62.3-175.3000114.3Y111 H112 S113 M117 V151 R152 A155 L219Y111-L115 HydrophobicContact CD2-CD1 3.98Å; Y111-L115 WeakPolarHBondContact O-CG 3.44Å; H112-L115 CarbonylContact O-C 3.59Å; H112-L115 PolarHBondContact O-N 3.31Å; S113-L115 VanDerWaalsContact C-N 3.34Å; S113-L115 PolarHBondContact O-N 3.28Å; L115-M117 PolarHBondContact O-N 3.03Å; L115-M117 VanDerWaalsContact O-N 3.12Å; L115-V151 HydrophobicContact CD1-CG1 4.32Å; L115-V151 HydrophobicContact CD2-CG1 3.7Å; L115-R152 HydrophobicContact CD1-CG 4.09Å; L115-A155 HydrophobicContact CD1-CB 4.09Å; L115-A155 HydrophobicContact CD2-CB 3.95Å; L115-A155 HydrophobicContact CG-CB 3.67Å; L115-L219 HydrophobicContact CD2-CD1 3.44Å; L115-L219 VanDerWaalsContact CD2-CD1 3.44Å; L115-L219 HydrophobicContact CD2-CD2 3.61Å; L115-L219 HydrophobicContact CD2-CG 4.18Å
116C94.5Very high84.5Confident18 Ų1857.2 Ų57.212%0.12232%0.321CS..  trans-68.7109.1-166.1-171.80000111.8C91 H112 K222C91-C116 PolarHBondContact SG-SG 2.89Å; H112-C116 PolarHBondContact NE2-SG 2.92Å; H112-C116 WeakPolarHBondContact O-CA 3.44Å; H112-C116 WeakPolarHBondContact O-CB 3.13Å; H112-C116 PolarHBondContact O-N 2.91Å; C116-K222 WeakPolarHBondContact O-CE 3.15Å; C116-K222 PolarHBondContact O-NZ 2.9Å
117M87.2Confident84.3Confident22 Ų2255.9 Ų55.911%0.10831%0.311CS..  trans-88.9119.1-177.5-62.3-61.8-7100113.1C94 L115 E121 F218 K222C94-M117 WeakPolarHBondContact CA-O 3.37Å; C94-M117 WeakPolarHBondContact CB-O 3.32Å; L115-M117 PolarHBondContact O-N 3.03Å; L115-M117 VanDerWaalsContact O-N 3.12Å; M117-E121 VanDerWaalsContact CA-OE2 3.3Å; M117-E121 WeakPolarHBondContact CA-OE2 3.45Å; M117-E121 HydrophobicContact CE-CB 3.68Å; M117-E121 WeakPolarHBondContact CE-OE2 2.86Å; M117-F218 HydrophobicContact CE-CE1 4.06Å; M117-F218 HydrophobicContact CE-CZ 3.55Å; M117-F218 HydrophobicContact SD-CE1 3.78Å; M117-F218 HydrophobicContact SD-CZ 3.77Å; M117-K222 PolarHBondContact SD-NZ 3.35Å
118A77.1Confident84.2Confident32 Ų3256.7 Ų56.726%0.26432%0.315SS..  trans-70.3154.8174.500000110.9I120 E121A118-I120 PolarHBondContact O-N 3.24Å; A118-E121 HydrophobicContact CB-CG 4.25Å; A118-E121 PolarHBondContact N-OE2 2.98Å; A118-E121 WeakPolarHBondContact O-CB 3.39Å; A118-E121 PolarHBondContact O-N 3.07Å
119P68.9Low83.9Confident81 Ų8157 Ų5753%0.52632%0.321SS..G310 helixtrans-59.7-33.8-177.7-2436.1000112.9N93 E121 K122N93-P119 WeakPolarHBondContact O-CD 3.45Å; N93-P119 WeakPolarHBondContact O-CG 3.31Å; P119-E121 PolarHBondContact O-N 3.12Å; P119-K122 WeakPolarHBondContact O-CB 3.3Å; P119-K122 PolarHBondContact O-N 2.63Å; P119-K122 VanDerWaalsContact O-N 3.14Å
120I59Low83.7Confident159 Ų15957.2 Ų57.282%0.81532%0.319SS*.G310 helixtrans-61.4-24.1177.4-59.5171.7000111.5A118A118-I120 PolarHBondContact O-N 3.24Å
121E65.2Low83.6Confident55 Ų5556.9 Ų56.926%0.25732%0.317SS..G310 helixtrans-87.3-16.6-179.2-56.6173159.300113M117 A118 P119 G123 K124 K222M117-E121 VanDerWaalsContact CA-OE2 3.3Å; M117-E121 WeakPolarHBondContact CA-OE2 3.45Å; M117-E121 HydrophobicContact CE-CB 3.68Å; M117-E121 WeakPolarHBondContact CE-OE2 2.86Å; A118-E121 HydrophobicContact CB-CG 4.25Å; A118-E121 PolarHBondContact N-OE2 2.98Å; A118-E121 WeakPolarHBondContact O-CB 3.39Å; A118-E121 PolarHBondContact O-N 3.07Å; P119-E121 PolarHBondContact O-N 3.12Å; E121-G123 PolarHBondContact O-N 2.75Å; E121-G123 VanDerWaalsContact O-N 3.14Å; E121-K124 PolarHBondContact O-N 3.11Å; E121-K222 WeakPolarHBondContact OE1-CE 3.12Å; E121-K222 IonicContact OE1-NZ 2.89Å; E121-K222 IonicContact OE2-NZ 3.28Å; E121-K222 PolarHBondContact OE2-NZ 3.43Å
122K61.1Low83.5Confident135 Ų13558.2 Ų58.259%0.58732%0.324SS*.THydrogen-bonded Turntrans-64.4-18.5-177.6-71.6-172.7177.1-179.40113.8P119P119-K122 WeakPolarHBondContact O-CB 3.3Å; P119-K122 PolarHBondContact O-N 2.63Å; P119-K122 VanDerWaalsContact O-N 3.14Å
123G61.1Low83.3Confident79 Ų7961.5 Ų61.581%0.81434%0.342SS*.THydrogen-bonded Turntrans-88.3-7178.800000115.3E121E121-G123 PolarHBondContact O-N 2.75Å; E121-G123 VanDerWaalsContact O-N 3.14Å
124K67.8Low83.2Confident165 Ų16560.1 Ų60.172%0.71733%0.331SS*.SBendtrans-95.5152.1174.8-67.2-177.6179.4179.90109.7E121 N126E121-K124 PolarHBondContact O-N 3.11Å; K124-N126 PolarHBondContact O-N 2.88Å
125E73.6Confident83Confident174 Ų17461.3 Ų61.381%0.81334%0.335SS*.  trans-55.3115.1170.3-163173.4-168.600108.6P127E125-P127 WeakPolarHBondContact O-CD 3.23Å
126N84.8Confident82.9Confident45 Ų4561.7 Ų61.724%0.24134%0.335CS..  trans-100.4115-176.2176.44000108.6K124 L128 G129 K130K124-N126 PolarHBondContact O-N 2.88Å; N126-L128 PolarHBondContact O-N 3.42Å; N126-L128 VanDerWaalsContact O-N 3.08Å; N126-L128 WeakPolarHBondContact OD1-CB 3.49Å; N126-L128 PolarHBondContact OD1-N 3Å; N126-G129 PolarHBondContact O-N 2.99Å; N126-K130 PolarHBondContact O-N 3.25Å
127P93.7Very high82.6Confident19 Ų1965.9 Ų65.912%0.12335%0.353CS..Hα-helixtrans-54.2-29.8177.9-3139.6000113.9E125 G129 K130 L131 E214 V215 F218E125-P127 WeakPolarHBondContact O-CD 3.23Å; P127-G129 PolarHBondContact O-N 3.06Å; P127-K130 PolarHBondContact O-N 3.36Å; P127-L131 WeakPolarHBondContact O-CB 3.5Å; P127-L131 PolarHBondContact O-N 2.81Å; P127-E214 HydrophobicContact CB-CB 4Å; P127-E214 HydrophobicContact CG-CB 4.36Å; P127-V215 VanDerWaalsContact C-CG2 3.45Å; P127-V215 HydrophobicContact CB-CB 4.48Å; P127-V215 HydrophobicContact CB-CG2 3.7Å; P127-V215 WeakPolarHBondContact O-CG2 3.49Å; P127-F218 HydrophobicContact CB-CB 4.38Å; P127-F218 HydrophobicContact CG-CB 3.86Å; P127-F218 HydrophobicContact CG-CD2 4.26Å; P127-F218 HydrophobicContact CG-CG 3.96Å
128L94.8Very high82.5Confident18 Ų1866.2 Ų66.29%0.09436%0.357CS..Hα-helixtrans-63.4-41.3175-64.5165.3000111.7N126 L131 D132 F148 V151 V215N126-L128 PolarHBondContact O-N 3.42Å; N126-L128 VanDerWaalsContact O-N 3.08Å; N126-L128 WeakPolarHBondContact OD1-CB 3.49Å; N126-L128 PolarHBondContact OD1-N 3Å; L128-L131 PolarHBondContact O-N 3.35Å; L128-D132 PolarHBondContact O-N 2.89Å; L128-F148 HydrophobicContact CB-CE1 4.38Å; L128-F148 HydrophobicContact CD2-CE1 4.03Å; L128-F148 WeakPolarHBondContact O-CZ 3.44Å; L128-V151 HydrophobicContact CD2-CG1 3.7Å; L128-V215 HydrophobicContact CD2-CG1 3.57Å; L128-V215 HydrophobicContact CD2-CG2 4.09Å; L128-V215 HydrophobicContact CG-CG1 4.42Å; L128-V215 HydrophobicContact CG-CG2 4.44Å
129G93.1Very high82.7Confident34 Ų3466.4 Ų66.435%0.35135%0.353SS..Hα-helixtrans-68.1-39.7178.400000112N126 P127 D132 I133N126-G129 PolarHBondContact O-N 2.99Å; P127-G129 PolarHBondContact O-N 3.06Å; G129-D132 PolarHBondContact O-N 2.94Å; G129-I133 WeakPolarHBondContact O-CG1 3.27Å; G129-I133 PolarHBondContact O-N 2.89Å
130K94.2Very high83.3Confident73 Ų7368.1 Ų68.132%0.31735%0.349SS..Hα-helixtrans-61.3-47.8173.4179.4179.3171.1-173.10111.5N126 P127 D132 I133 I134 E214N126-K130 PolarHBondContact O-N 3.25Å; P127-K130 PolarHBondContact O-N 3.36Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 2.9Å; K130-I133 PolarHBondContact O-N 2.75Å; K130-I134 HydrophobicContact CG-CD1 3.89Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 2.78Å; K130-I134 VanDerWaalsContact O-N 3.12Å; K130-E214 WeakPolarHBondContact CD-OE2 3.38Å; K130-E214 IonicContact NZ-OE1 3.11Å; K130-E214 PolarHBondContact NZ-OE1 3.38Å; K130-E214 IonicContact NZ-OE2 3.73Å; K130-E214 PolarHBondContact NZ-OE2 3.37Å
131L96.1Very high84.3Confident0 Ų062.8 Ų62.80%033%0.325CS..Hα-helixtrans-59.8-41.2177-178.963.6000112.2P127 L128 I133 I134 W135 I147 V151 I208 A211 F212 V215P127-L131 WeakPolarHBondContact O-CB 3.5Å; P127-L131 PolarHBondContact O-N 2.81Å; L128-L131 PolarHBondContact O-N 3.35Å; L131-I133 PolarHBondContact O-N 3.23Å; L131-I134 PolarHBondContact O-N 3.41Å; L131-W135 WeakPolarHBondContact O-CB 3.43Å; L131-W135 PolarHBondContact O-N 2.89Å; L131-I147 HydrophobicContact CD1-CG1 4.18Å; L131-I147 HydrophobicContact CD1-CG2 4.44Å; L131-I147 HydrophobicContact CD2-CG1 3.92Å; L131-I147 HydrophobicContact CD2-CG2 4.17Å; L131-I147 HydrophobicContact CG-CG1 4.28Å; L131-I147 HydrophobicContact CG-CG2 4Å; L131-V151 HydrophobicContact CD2-CG2 3.74Å; L131-I208 HydrophobicContact CD1-CG2 4.11Å; L131-A211 HydrophobicContact CB-CB 4.44Å; L131-A211 HydrophobicContact CD1-CB 3.92Å; L131-F212 HydrophobicContact CD1-CB 4.37Å; L131-F212 HydrophobicContact CD2-CD2 4.05Å; L131-V215 HydrophobicContact CB-CG2 4.07Å; L131-V215 HydrophobicContact CD2-CG2 3.89Å
132D95.2Very high85Confident31 Ų3166 Ų6617%0.16635%0.351CS..Hα-helixtrans-60.9-42.9177.1-174.263.3000112.7S41 L128 G129 K130 W135 R136 F148S41-D132 WeakPolarHBondContact CB-OD1 3.37Å; S41-D132 PolarHBondContact OG-OD1 3.34Å; L128-D132 PolarHBondContact O-N 2.89Å; G129-D132 PolarHBondContact O-N 2.94Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 2.9Å; D132-W135 PolarHBondContact O-N 3.41Å; D132-R136 WeakPolarHBondContact O-CB 3.43Å; D132-R136 WeakPolarHBondContact O-CG 3.49Å; D132-R136 PolarHBondContact O-N 3.34Å; D132-R136 IonicContact OD2-CZ 3.96Å; D132-R136 IonicContact OD2-NE 3.74Å; D132-R136 PolarHBondContact OD2-NE 2.86Å; D132-R136 IonicContact OD2-NH2 3.94Å; D132-R136 PolarHBondContact OD2-NH2 2.94Å; D132-F148 HydrophobicContact CB-CE2 3.62Å; D132-F148 HydrophobicContact CB-CZ 3.8Å; D132-F148 WeakPolarHBondContact OD1-CE2 3.49Å
133I93.8Very high86Confident82 Ų8260.3 Ų60.342%0.42133%0.326SS..Hα-helixtrans-63.2-49.5178.6-68.4165.8000110.3G129 K130 L131 W135 R136 Q137G129-I133 WeakPolarHBondContact O-CG1 3.27Å; G129-I133 PolarHBondContact O-N 2.89Å; K130-I133 PolarHBondContact O-N 2.75Å; L131-I133 PolarHBondContact O-N 3.23Å; I133-W135 VanDerWaalsContact C-N 3.32Å; I133-W135 PolarHBondContact O-N 3.37Å; I133-R136 PolarHBondContact O-N 3.28Å; I133-Q137 HydrophobicContact CG2-CG 4.5Å; I133-Q137 WeakPolarHBondContact O-CB 3.48Å; I133-Q137 VanDerWaalsContact O-CG 3.28Å; I133-Q137 WeakPolarHBondContact O-CG 3.28Å; I133-Q137 PolarHBondContact O-N 3.5Å
134I93.5Very high87Confident12 Ų1261.3 Ų61.36%0.06232%0.32CS..Hα-helixtrans-61.7-42.1179.7-65.8164.1000110.6K130 L131 Q137 S138 E207 I208 A211K130-I134 HydrophobicContact CG-CD1 3.89Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 2.78Å; K130-I134 VanDerWaalsContact O-N 3.12Å; L131-I134 PolarHBondContact O-N 3.41Å; I134-Q137 PolarHBondContact O-N 2.96Å; I134-S138 PolarHBondContact O-N 3.33Å; I134-S138 VanDerWaalsContact O-N 3.17Å; I134-S138 PolarHBondContact O-OG 2.9Å; I134-E207 HydrophobicContact CD1-CG 4.15Å; I134-E207 HydrophobicContact CG1-CG 4.44Å; I134-E207 HydrophobicContact CG2-CB 4.37Å; I134-E207 HydrophobicContact CG2-CG 3.86Å; I134-I208 HydrophobicContact CG2-CG1 3.7Å; I134-A211 HydrophobicContact CD1-CB 3.53Å
135W93.1Very high88.1Confident26 Ų2654.1 Ų54.110%0.09829%0.294CS..Hα-helixtrans-60.9-49.5175.7-179.4-98.4000111.8L131 D132 I133 Q137 S138 H139 I147 I208L131-W135 WeakPolarHBondContact O-CB 3.43Å; L131-W135 PolarHBondContact O-N 2.89Å; D132-W135 PolarHBondContact O-N 3.41Å; I133-W135 VanDerWaalsContact C-N 3.32Å; I133-W135 PolarHBondContact O-N 3.37Å; W135-Q137 VanDerWaalsContact C-N 3.27Å; W135-Q137 PolarHBondContact O-N 3.36Å; W135-S138 PolarHBondContact O-N 3.4Å; W135-S138 VanDerWaalsContact O-N 3.12Å; W135-S138 PolarHBondContact O-OG 3.35Å; W135-H139 HydrophobicContact CD2-CB 4.43Å; W135-H139 HydrophobicContact CZ2-CB 4.26Å; W135-H139 WeakPolarHBondContact O-CB 3.29Å; W135-H139 PolarHBondContact O-N 3.08Å; W135-I147 HydrophobicContact CB-CG2 3.74Å; W135-I147 HydrophobicContact CD2-CB 3.77Å; W135-I147 HydrophobicContact CD2-CG2 3.72Å; W135-I147 HydrophobicContact CE3-CB 3.53Å; W135-I147 HydrophobicContact CE3-CG1 4.47Å; W135-I147 HydrophobicContact CE3-CG2 3.9Å; W135-I147 HydrophobicContact CG-CB 4.26Å; W135-I147 HydrophobicContact CG-CG2 3.64Å; W135-I147 HydrophobicContact CZ3-CB 3.92Å; W135-I208 HydrophobicContact CE3-CD1 4.12Å; W135-I208 HydrophobicContact CE3-CG2 4.48Å; W135-I208 HydrophobicContact CZ3-CD1 4.38Å
136R92.5Very high89Confident35 Ų3546 Ų4613%0.13226%0.256CS..Hα-helixtrans-65.2-29.3-180-76.9-167.4-68.1111.6-0.7113.5W42 D132 I133 S138W42-R136 HydrophobicContact CD2-CB 4.4Å; W42-R136 HydrophobicContact CD2-CG 4.1Å; W42-R136 HydrophobicContact CG-CG 4.23Å; W42-R136 HydrophobicContact CH2-CB 4.46Å; W42-R136 HydrophobicContact CZ2-CB 3.68Å; W42-R136 HydrophobicContact CZ2-CG 4.29Å; W42-R136 WeakPolarHBondContact CZ2-O 3.45Å; D132-R136 WeakPolarHBondContact O-CB 3.43Å; D132-R136 WeakPolarHBondContact O-CG 3.49Å; D132-R136 PolarHBondContact O-N 3.34Å; D132-R136 IonicContact OD2-CZ 3.96Å; D132-R136 IonicContact OD2-NE 3.74Å; D132-R136 PolarHBondContact OD2-NE 2.86Å; D132-R136 IonicContact OD2-NH2 3.94Å; D132-R136 PolarHBondContact OD2-NH2 2.94Å; I133-R136 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact C-N 3.34Å
137Q89.6Confident89.5Confident107 Ų10743.9 Ų43.950%0.524%0.244SC..Hα-helixtrans-73.4-24.8174.9-74.2172.6-22.800113.3I133 I134 W135 Y140I133-Q137 HydrophobicContact CG2-CG 4.5Å; I133-Q137 WeakPolarHBondContact O-CB 3.48Å; I133-Q137 VanDerWaalsContact O-CG 3.28Å; I133-Q137 WeakPolarHBondContact O-CG 3.28Å; I133-Q137 PolarHBondContact O-N 3.5Å; I134-Q137 PolarHBondContact O-N 2.96Å; W135-Q137 VanDerWaalsContact C-N 3.27Å; W135-Q137 PolarHBondContact O-N 3.36Å; Q137-Y140 WeakPolarHBondContact O-CE2 3.35Å
138S83.9Confident89.7Confident29 Ų2944.8 Ų44.820%0.20325%0.246CC..Hα-helixtrans-97.4-20177.150.60000113.1I134 W135 R136I134-S138 PolarHBondContact O-N 3.33Å; I134-S138 VanDerWaalsContact O-N 3.17Å; I134-S138 PolarHBondContact O-OG 2.9Å; W135-S138 PolarHBondContact O-N 3.4Å; W135-S138 VanDerWaalsContact O-N 3.12Å; W135-S138 PolarHBondContact O-OG 3.35Å; R136-S138 VanDerWaalsContact C-N 3.34Å
139H82.3Confident89.8Confident36 Ų3644 Ų4417%0.16724%0.242CC..SBendtrans-128.483.3-175.6-15572.5000110.6W42 W135 S144W42-H139 PolarHBondContact NE1-O 2.72Å; W135-H139 HydrophobicContact CD2-CB 4.43Å; W135-H139 HydrophobicContact CZ2-CB 4.26Å; W135-H139 WeakPolarHBondContact O-CB 3.29Å; W135-H139 PolarHBondContact O-N 3.08Å; H139-S144 PolarHBondContact CE1-OG 2.72Å; H139-S144 VanDerWaalsContact CE1-OG 3.24Å; H139-S144 PolarHBondContact NE2-N 3.33Å; H139-S144 PolarHBondContact NE2-OG 3.11Å
140Y80.1Confident90Very high117 Ų11742.6 Ų42.646%0.45923%0.227SC..PPolyproline II helixtrans-74.6154.5175.2-71.1-84000111.2W42 Q137W42-Y140 HydrophobicContact CZ2-CD1 4.29Å; W42-Y140 HydrophobicContact CZ2-CE1 4.41Å; Q137-Y140 WeakPolarHBondContact O-CE2 3.35Å
141P80.9Confident90.2Very high47 Ų4739.1 Ų39.131%0.30521%0.212SC..SBendtrans-59.5150.8175-23.735.5000113W42 F309W42-P141 HydrophobicContact CB-CG 4.17Å; W42-P141 HydrophobicContact CD2-CG 4.23Å; W42-P141 HydrophobicContact CG-CG 3.79Å; P141-F309 HydrophobicContact CB-CE1 4.19Å; P141-F309 HydrophobicContact CB-CE2 4.38Å; P141-F309 HydrophobicContact CB-CZ 3.48Å; P141-F309 VanDerWaalsContact CB-CZ 3.48Å; P141-F309 HydrophobicContact CG-CE1 4.25Å; P141-F309 HydrophobicContact CG-CZ 3.67Å
142P79Confident90.3Very high122 Ų12239.6 Ų39.679%0.79221%0.213SC*.SBendcis-71.4134.70.329.6-34.8000112.4S144P142-S144 PolarHBondContact O-N 3.24Å
143E83.5Confident90.5Very high16 Ų1638.9 Ų38.98%0.07521%0.21CC..PPolyproline II helixtrans-76120.4-179.4-67.7-178.693.900110.3F40 S41 W42 N43F40-E143 HydrophobicContact CB-CB 4.15Å; F40-E143 VanDerWaalsContact CB-CD 3.44Å; F40-E143 HydrophobicContact CB-CG 4.42Å; F40-E143 WeakPolarHBondContact CB-OE2 3.43Å; F40-E143 HydrophobicContact CD1-CB 4.31Å; F40-E143 HydrophobicContact CD2-CB 3.88Å; F40-E143 HydrophobicContact CE2-CB 4.3Å; F40-E143 WeakPolarHBondContact CE2-O 3.4Å; F40-E143 HydrophobicContact CG-CB 3.91Å; S41-E143 PolarHBondContact N-OE1 3.49Å; W42-E143 WeakPolarHBondContact CA-OE2 3.5Å; W42-E143 HydrophobicContact CB-CG 4.49Å; W42-E143 WeakPolarHBondContact CB-OE2 3.5Å; W42-E143 PolarHBondContact N-OE1 2.93Å; W42-E143 PolarHBondContact N-OE2 3.22Å; N43-E143 PolarHBondContact N-OE2 3.32Å
144S82.7Confident90.7Very high99 Ų9935.1 Ų35.169%0.69219%0.19SC*.  trans-92-2.9170.159.30000114.5H139 P142H139-S144 PolarHBondContact CE1-OG 2.72Å; H139-S144 VanDerWaalsContact CE1-OG 3.24Å; H139-S144 PolarHBondContact NE2-N 3.33Å; H139-S144 PolarHBondContact NE2-OG 3.11Å; P142-S144 PolarHBondContact O-N 3.24Å
145G89.2Confident90.9Very high15 Ų1534.5 Ų34.516%0.15519%0.187CC..  trans-179.4172-171.400000112.7
146T93.6Very high91.2Very high3 Ų333.3 Ų33.32%0.01818%0.183CC..  trans-145.7137.8173.6179.40000111.8C38 F40 F148 L149 V315C38-T146 HydrophobicContact CB-CG2 3.93Å; F40-T146 HydrophobicContact CD1-CG2 4.16Å; T146-F148 HydrophobicContact CG2-CB 4.38Å; T146-F148 PolarHBondContact O-N 2.98Å; T146-F148 PolarHBondContact OG1-N 2.7Å; T146-L149 HydrophobicContact CG2-CB 4.37Å; T146-L149 WeakPolarHBondContact O-CB 3.42Å; T146-L149 PolarHBondContact O-N 2.94Å; T146-L149 VanDerWaalsContact O-N 3.16Å; T146-V315 HydrophobicContact CG2-CG1 3.93Å
147I95.2Very high91.5Very high0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-58.3-25.4171.5-172.863.8000112.2L131 W135 L149 L150 V151 I208 F212 F250 L254L131-I147 HydrophobicContact CD1-CG1 4.18Å; L131-I147 HydrophobicContact CD1-CG2 4.44Å; L131-I147 HydrophobicContact CD2-CG1 3.92Å; L131-I147 HydrophobicContact CD2-CG2 4.17Å; L131-I147 HydrophobicContact CG-CG1 4.28Å; L131-I147 HydrophobicContact CG-CG2 4Å; W135-I147 HydrophobicContact CB-CG2 3.74Å; W135-I147 HydrophobicContact CD2-CB 3.77Å; W135-I147 HydrophobicContact CD2-CG2 3.72Å; W135-I147 HydrophobicContact CE3-CB 3.53Å; W135-I147 HydrophobicContact CE3-CG1 4.47Å; W135-I147 HydrophobicContact CE3-CG2 3.9Å; W135-I147 HydrophobicContact CG-CB 4.26Å; W135-I147 HydrophobicContact CG-CG2 3.64Å; W135-I147 HydrophobicContact CZ3-CB 3.92Å; I147-L149 PolarHBondContact O-N 3.01Å; I147-L150 HydrophobicContact CD1-CB 4.35Å; I147-L150 HydrophobicContact CD1-CD2 4.16Å; I147-L150 WeakPolarHBondContact O-CB 3.15Å; I147-L150 PolarHBondContact O-N 3.31Å; I147-V151 PolarHBondContact O-N 2.96Å; I147-V151 VanDerWaalsContact O-N 3.09Å; I147-I208 HydrophobicContact CD1-CG2 4.26Å; I147-I208 HydrophobicContact CG1-CG2 4.43Å; I147-F212 HydrophobicContact CD1-CD2 4.16Å; I147-F212 HydrophobicContact CD1-CE2 4.49Å; I147-F212 HydrophobicContact CG1-CD2 4.26Å; I147-F250 HydrophobicContact CD1-CE2 4.03Å; I147-F250 HydrophobicContact CD1-CZ 3.95Å; I147-L254 HydrophobicContact CD1-CD2 3.57Å
148F97Very high91.9Very high38 Ų3827.1 Ų27.117%0.16716%0.156CC..Hα-helixtrans-67.4-18.1-179.7-79.6-85.5000113.6C38 L128 D132 T146 L150 V151 R152C38-F148 WeakPolarHBondContact SG-CB 3.48Å; L128-F148 HydrophobicContact CB-CE1 4.38Å; L128-F148 HydrophobicContact CD2-CE1 4.03Å; L128-F148 WeakPolarHBondContact O-CZ 3.44Å; D132-F148 HydrophobicContact CB-CE2 3.62Å; D132-F148 HydrophobicContact CB-CZ 3.8Å; D132-F148 WeakPolarHBondContact OD1-CE2 3.49Å; T146-F148 HydrophobicContact CG2-CB 4.38Å; T146-F148 PolarHBondContact O-N 2.98Å; T146-F148 PolarHBondContact OG1-N 2.7Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-V151 HydrophobicContact CD1-CB 4.2Å; F148-V151 HydrophobicContact CD1-CG1 4.31Å; F148-V151 HydrophobicContact CD1-CG2 4.28Å; F148-V151 PolarHBondContact O-N 2.75Å; F148-R152 WeakPolarHBondContact O-CB 3.44Å; F148-R152 VanDerWaalsContact O-CG 3.31Å; F148-R152 WeakPolarHBondContact O-CG 3.37Å; F148-R152 PolarHBondContact O-N 3.09Å
149L97.6Very high92.6Very high2 Ų225.7 Ų25.71%0.0115%0.147CC..Hα-helixtrans-63.5-43.3169-171.960.5000110.6I36 C38 T146 I147 R152 I153 I257 V315 L317I36-L149 HydrophobicContact CG2-CD1 3.88Å; C38-L149 HydrophobicContact CB-CB 4.43Å; C38-L149 HydrophobicContact CB-CD1 4.35Å; T146-L149 HydrophobicContact CG2-CB 4.37Å; T146-L149 WeakPolarHBondContact O-CB 3.42Å; T146-L149 PolarHBondContact O-N 2.94Å; T146-L149 VanDerWaalsContact O-N 3.16Å; I147-L149 PolarHBondContact O-N 3.01Å; L149-R152 PolarHBondContact O-N 2.96Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 3.43Å; L149-I257 HydrophobicContact CB-CD1 4.39Å; L149-I257 HydrophobicContact CD2-CB 3.93Å; L149-I257 HydrophobicContact CD2-CG2 4.06Å; L149-I257 HydrophobicContact CG-CB 4.48Å; L149-I257 HydrophobicContact CG-CG2 4.15Å; L149-V315 HydrophobicContact CB-CG1 4.47Å; L149-V315 HydrophobicContact CD2-CG1 3.9Å; L149-V315 HydrophobicContact CD2-CG2 4.21Å; L149-L317 HydrophobicContact CD2-CD2 4.29Å; L149-L317 HydrophobicContact CD2-CG 4.06Å
150L97.6Very high93.3Very high4 Ų424.7 Ų24.72%0.02115%0.145CC..Hα-helixtrans-67.8-38.6174.5-178.357.8000112I147 F148 R152 I153 V154 F212 F250 A253 L254 I257I147-L150 HydrophobicContact CD1-CB 4.35Å; I147-L150 HydrophobicContact CD1-CD2 4.16Å; I147-L150 WeakPolarHBondContact O-CB 3.15Å; I147-L150 PolarHBondContact O-N 3.31Å; F148-L150 VanDerWaalsContact C-N 3.34Å; L150-R152 VanDerWaalsContact C-N 3.3Å; L150-R152 PolarHBondContact O-N 2.89Å; L150-I153 HydrophobicContact CD1-CB 4.49Å; L150-I153 WeakPolarHBondContact O-CB 3.46Å; L150-I153 PolarHBondContact O-N 3Å; L150-I153 VanDerWaalsContact O-N 3.15Å; L150-V154 PolarHBondContact O-N 3.42Å; L150-F212 HydrophobicContact CB-CE2 4.4Å; L150-F212 HydrophobicContact CD2-CE1 4.29Å; L150-F212 HydrophobicContact CD2-CE2 3.91Å; L150-F212 HydrophobicContact CD2-CZ 3.71Å; L150-F212 HydrophobicContact CG-CE2 3.81Å; L150-F212 HydrophobicContact CG-CZ 3.64Å; L150-F250 HydrophobicContact CD2-CD2 4Å; L150-F250 HydrophobicContact CD2-CE2 3.73Å; L150-A253 HydrophobicContact CD1-CB 3.84Å; L150-A253 HydrophobicContact CD2-CB 4.08Å; L150-L254 HydrophobicContact CD2-CD2 4.1Å; L150-I257 HydrophobicContact CB-CD1 4.12Å
151V98.3Very high94.2Very high1 Ų120.5 Ų20.51%0.00613%0.132CC..Hα-helixtrans-59.7-41.1173175.40000111.2L115 L128 L131 I147 F148 V154 A155 F212 V215 L219L115-V151 HydrophobicContact CD1-CG1 4.32Å; L115-V151 HydrophobicContact CD2-CG1 3.7Å; L128-V151 HydrophobicContact CD2-CG1 3.7Å; L131-V151 HydrophobicContact CD2-CG2 3.74Å; I147-V151 PolarHBondContact O-N 2.96Å; I147-V151 VanDerWaalsContact O-N 3.09Å; F148-V151 HydrophobicContact CD1-CB 4.2Å; F148-V151 HydrophobicContact CD1-CG1 4.31Å; F148-V151 HydrophobicContact CD1-CG2 4.28Å; F148-V151 PolarHBondContact O-N 2.75Å; V151-V154 WeakPolarHBondContact O-CB 3.47Å; V151-V154 PolarHBondContact O-N 3.31Å; V151-A155 PolarHBondContact O-N 2.83Å; V151-F212 HydrophobicContact CG2-CD2 4.25Å; V151-F212 HydrophobicContact CG2-CE2 3.94Å; V151-V215 HydrophobicContact CG1-CG1 4.24Å; V151-V215 HydrophobicContact CG2-CG1 4.37Å; V151-L219 HydrophobicContact CG1-CD1 4.28Å
152R98.4Very high94.9Very high9 Ų921 Ų213%0.03413%0.132CC..Hα-helixtrans-67.3-35.3175.2-72.4-175.8-178.8-148.1-5.4112.3I36 C37 C38 D52 Y111 L115 F148 L149 L150 A155 A156I36-R152 VanDerWaalsContact CD1-C 3.4Å; I36-R152 HydrophobicContact CD1-CB 3.4Å; I36-R152 VanDerWaalsContact CD1-CB 3.4Å; I36-R152 WeakPolarHBondContact CD1-O 3.14Å; I36-R152 HydrophobicContact CG1-CB 4.01Å; C37-R152 WeakPolarHBondContact O-CD 3.45Å; C37-R152 VanDerWaalsContact O-CZ 3.27Å; C37-R152 PolarHBondContact O-NE 2.83Å; C37-R152 PolarHBondContact O-NH1 2.81Å; C38-R152 PolarHBondContact SG-NE 2.81Å; D52-R152 VanDerWaalsContact O-CZ 3.24Å; D52-R152 PolarHBondContact O-NH1 3.4Å; D52-R152 PolarHBondContact O-NH2 2.88Å; D52-R152 IonicContact OD1-NH2 2.88Å; D52-R152 PolarHBondContact OD1-NH2 3.48Å; D52-R152 IonicContact OD2-CZ 2.98Å; D52-R152 IonicContact OD2-NH2 3.67Å; D52-R152 PolarHBondContact OD2-NH2 3.46Å; Y111-R152 HydrophobicContact CD2-CG 3.98Å; Y111-R152 HydrophobicContact CE2-CG 4.47Å; Y111-R152 HydrophobicContact CG-CB 4.28Å; Y111-R152 HydrophobicContact CG-CG 4.09Å; Y111-R152 PolarHBondContact OH-NH1 3.46Å; Y111-R152 VanDerWaalsContact OH-NH1 3.14Å; L115-R152 HydrophobicContact CD1-CG 4.09Å; F148-R152 WeakPolarHBondContact O-CB 3.44Å; F148-R152 VanDerWaalsContact O-CG 3.31Å; F148-R152 WeakPolarHBondContact O-CG 3.37Å; F148-R152 PolarHBondContact O-N 3.09Å; L149-R152 PolarHBondContact O-N 2.96Å; L150-R152 VanDerWaalsContact C-N 3.3Å; L150-R152 PolarHBondContact O-N 2.89Å; R152-A155 PolarHBondContact O-N 2.82Å; R152-A156 PolarHBondContact O-N 3.08Å
153I98.3Very high95.8Very high17 Ų1719.3 Ų19.39%0.08712%0.115CC..Hα-helixtrans-63.1-46.4173.6-69.6168.2000110.7I36 L149 L150 A155 A156 C157 L175 I257 L317I36-I153 HydrophobicContact CD1-CG1 4.23Å; I36-I153 HydrophobicContact CG2-CG1 4.17Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 3.43Å; L150-I153 HydrophobicContact CD1-CB 4.49Å; L150-I153 WeakPolarHBondContact O-CB 3.46Å; L150-I153 PolarHBondContact O-N 3Å; L150-I153 VanDerWaalsContact O-N 3.15Å; I153-A155 VanDerWaalsContact C-N 3.28Å; I153-A155 PolarHBondContact O-N 3.23Å; I153-A156 WeakPolarHBondContact O-CA 3.36Å; I153-A156 WeakPolarHBondContact O-CB 3.16Å; I153-A156 PolarHBondContact O-N 3.27Å; I153-A156 VanDerWaalsContact O-N 3.09Å; I153-C157 PolarHBondContact O-N 2.89Å; I153-C157 PolarHBondContact O-SG 2.78Å; I153-C157 VanDerWaalsContact O-SG 3.36Å; I153-L175 HydrophobicContact CB-CD1 4.34Å; I153-L175 HydrophobicContact CD1-CD1 4.12Å; I153-L175 HydrophobicContact CG1-CD1 3.93Å; I153-L175 HydrophobicContact CG2-CD1 3.55Å; I153-I257 HydrophobicContact CD1-CG2 3.71Å; I153-L317 HydrophobicContact CD1-CD1 3.9Å
154V98.4Very high96.5Very high2 Ų220.6 Ų20.61%0.01213%0.133CC..Hα-helixtrans-55.3-47.1174162.40000110.9L150 V151 A156 C157 L158 F212 L216 L219 I241 L244L150-V154 PolarHBondContact O-N 3.42Å; V151-V154 WeakPolarHBondContact O-CB 3.47Å; V151-V154 PolarHBondContact O-N 3.31Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 3.12Å; V154-C157 WeakPolarHBondContact O-CB 3.47Å; V154-C157 PolarHBondContact O-N 3.2Å; V154-L158 HydrophobicContact CG1-CD1 4.27Å; V154-L158 WeakPolarHBondContact O-CG 3.33Å; V154-L158 PolarHBondContact O-N 2.98Å; V154-F212 HydrophobicContact CG2-CZ 3.75Å; V154-L216 HydrophobicContact CB-CD2 4.18Å; V154-L216 HydrophobicContact CG1-CD2 3.59Å; V154-L216 HydrophobicContact CG2-CD2 3.53Å; V154-L219 HydrophobicContact CG1-CD1 4.29Å; V154-I241 HydrophobicContact CG1-CD1 3.87Å; V154-L244 HydrophobicContact CG2-CD1 3.84Å
155A98.4Very high97.2Very high0 Ų016.2 Ų16.20%010%0.102CC..Hα-helixtrans-62.3-40.1177.500000111.6Y111 P114 L115 V151 R152 I153 C157 L158 S159Y111-A155 VanDerWaalsContact O-CB 3.29Å; Y111-A155 WeakPolarHBondContact O-CB 3.28Å; P114-A155 HydrophobicContact CB-CB 3.96Å; P114-A155 HydrophobicContact CG-CB 3.95Å; P114-A155 VanDerWaalsContact CG-O 3.3Å; P114-A155 WeakPolarHBondContact CG-O 3.35Å; L115-A155 HydrophobicContact CD1-CB 4.09Å; L115-A155 HydrophobicContact CD2-CB 3.95Å; L115-A155 HydrophobicContact CG-CB 3.67Å; V151-A155 PolarHBondContact O-N 2.83Å; R152-A155 PolarHBondContact O-N 2.82Å; I153-A155 VanDerWaalsContact C-N 3.28Å; I153-A155 PolarHBondContact O-N 3.23Å; A155-C157 PolarHBondContact O-N 3.16Å; A155-L158 PolarHBondContact O-N 2.93Å; A155-S159 PolarHBondContact O-N 3.34Å; A155-S159 PolarHBondContact O-OG 3.35Å; A155-S159 VanDerWaalsContact O-OG 3.12Å
156A98.5Very high97.6Very high0 Ų018.8 Ų18.80%012%0.118CC..Hα-helixtrans-60.6-42.7172.200000112.7T110 R152 I153 V154 L158 S159 A160 S168 L171T110-A156 HydrophobicContact CG2-CB 4.46Å; T110-A156 VanDerWaalsContact O-CA 3.26Å; T110-A156 WeakPolarHBondContact O-CA 3.36Å; R152-A156 PolarHBondContact O-N 3.08Å; I153-A156 WeakPolarHBondContact O-CA 3.36Å; I153-A156 WeakPolarHBondContact O-CB 3.16Å; I153-A156 PolarHBondContact O-N 3.27Å; I153-A156 VanDerWaalsContact O-N 3.09Å; V154-A156 VanDerWaalsContact C-N 3.32Å; V154-A156 PolarHBondContact O-N 3.12Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 PolarHBondContact O-N 2.9Å; A156-S159 PolarHBondContact O-N 3.04Å; A156-A160 WeakPolarHBondContact O-CB 3.38Å; A156-A160 PolarHBondContact O-N 2.92Å; A156-S168 VanDerWaalsContact O-CB 3.29Å; A156-S168 WeakPolarHBondContact O-CB 3.5Å; A156-L171 HydrophobicContact CB-CD1 3.91Å; A156-L171 HydrophobicContact CB-CD2 3.83Å
157C98.5Very high97.8Very high12 Ų1221.7 Ų21.78%0.08114%0.136CC..Hα-helixtrans-59.2-43.2173.8-63.70000112I153 V154 A155 A160 C161 V172 I241I153-C157 PolarHBondContact O-N 2.89Å; I153-C157 PolarHBondContact O-SG 2.78Å; I153-C157 VanDerWaalsContact O-SG 3.36Å; V154-C157 WeakPolarHBondContact O-CB 3.47Å; V154-C157 PolarHBondContact O-N 3.2Å; A155-C157 PolarHBondContact O-N 3.16Å; C157-A160 PolarHBondContact O-N 3.02Å; C157-C161 VanDerWaalsContact O-CB 3.23Å; C157-C161 WeakPolarHBondContact O-CB 3.42Å; C157-C161 PolarHBondContact O-N 3.47Å; C157-V172 HydrophobicContact CB-CG2 4.42Å; C157-I241 HydrophobicContact CB-CD1 4.39Å; C157-I241 HydrophobicContact CB-CG2 3.65Å; C157-I241 VanDerWaalsContact SG-CG2 3.6Å
158L98.3Very high97.9Very high0 Ų021.7 Ų21.70%014%0.136CC..Hα-helixtrans-65.1-42.1176.1-68.9174.5000112.1P114 V154 A155 A156 C161 L162 L219 F223 T235 A239 I241P114-L158 HydrophobicContact CB-CB 4.36Å; P114-L158 HydrophobicContact CB-CD1 4.26Å; P114-L158 HydrophobicContact CG-CB 4.1Å; V154-L158 HydrophobicContact CG1-CD1 4.27Å; V154-L158 WeakPolarHBondContact O-CG 3.33Å; V154-L158 PolarHBondContact O-N 2.98Å; A155-L158 PolarHBondContact O-N 2.93Å; A156-L158 VanDerWaalsContact C-N 3.32Å; A156-L158 PolarHBondContact O-N 2.9Å; L158-C161 PolarHBondContact O-N 3.36Å; L158-L162 HydrophobicContact CD2-CD1 4.37Å; L158-L162 WeakPolarHBondContact O-CB 3.49Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-L219 HydrophobicContact CD1-CB 4.08Å; L158-F223 HydrophobicContact CB-CD1 4.04Å; L158-F223 HydrophobicContact CB-CE1 4.39Å; L158-T235 HydrophobicContact CD2-CG2 4.29Å; L158-A239 HydrophobicContact CD2-CB 4.12Å; L158-I241 HydrophobicContact CD2-CD1 4.22Å; L158-I241 HydrophobicContact CG-CD1 4.25Å
159S98.4Very high98Very high0 Ų024.4 Ų24.40%015%0.149CC..Hα-helixtrans-61.6-43.9174.9-64.70000112T110 P114 A155 A156 C161 I163 G164 S165 S168T110-S159 VanDerWaalsContact O-CB 3.23Å; T110-S159 WeakPolarHBondContact O-CB 3.37Å; T110-S159 PolarHBondContact O-OG 3.27Å; P114-S159 WeakPolarHBondContact CD-OG 3.34Å; P114-S159 WeakPolarHBondContact CG-OG 3.13Å; A155-S159 PolarHBondContact O-N 3.34Å; A155-S159 PolarHBondContact O-OG 3.35Å; A155-S159 VanDerWaalsContact O-OG 3.12Å; A156-S159 PolarHBondContact O-N 3.04Å; S159-C161 VanDerWaalsContact C-N 3.32Å; S159-C161 PolarHBondContact O-N 3.08Å; S159-I163 WeakPolarHBondContact O-CG1 3.39Å; S159-I163 PolarHBondContact O-N 3.12Å; S159-G164 PolarHBondContact O-N 3.16Å; S159-S165 PolarHBondContact O-N 3.28Å; S159-S168 VanDerWaalsContact CB-OG 3.29Å; S159-S168 WeakPolarHBondContact CB-OG 3.46Å
160A98.2Very high97.9Very high15 Ų1530.8 Ų30.812%0.12418%0.178CC..Hα-helixtrans-61.2-41.8175.800000111.8A156 C157 G164 Q169 V172A156-A160 WeakPolarHBondContact O-CB 3.38Å; A156-A160 PolarHBondContact O-N 2.92Å; C157-A160 PolarHBondContact O-N 3.02Å; A160-G164 WeakPolarHBondContact O-CA 3.45Å; A160-G164 PolarHBondContact O-N 3.19Å; A160-Q169 HydrophobicContact CB-CG 3.81Å; A160-V172 HydrophobicContact CB-CG2 4.38Å
161C97.6Very high97.9Very high29 Ų2930.9 Ų30.920%0.19618%0.179CC..Hα-helixtrans-78.7-43.8-174.7174.30000113.9C157 L158 S159 A239C157-C161 VanDerWaalsContact O-CB 3.23Å; C157-C161 WeakPolarHBondContact O-CB 3.42Å; C157-C161 PolarHBondContact O-N 3.47Å; L158-C161 PolarHBondContact O-N 3.36Å; S159-C161 VanDerWaalsContact C-N 3.32Å; S159-C161 PolarHBondContact O-N 3.08Å; C161-A239 HydrophobicContact CB-CB 3.79Å
162L97.2Very high97.9Very high57 Ų5732.5 Ų32.530%0.29819%0.189SC..Hα-helixtrans-96.8-33.5-167.9-61.8-176.9000113.7L158 F223 T235L158-L162 HydrophobicContact CD2-CD1 4.37Å; L158-L162 WeakPolarHBondContact O-CB 3.49Å; L158-L162 PolarHBondContact O-N 2.95Å; L162-F223 HydrophobicContact CB-CD1 4.42Å; L162-F223 HydrophobicContact CB-CE1 4.09Å; L162-F223 HydrophobicContact CD1-CD1 3.68Å; L162-F223 HydrophobicContact CD1-CE1 4.2Å; L162-F223 HydrophobicContact CD1-CG 4.45Å; L162-T235 HydrophobicContact CD1-CG2 4.21Å; L162-T235 HydrophobicContact CD2-CG2 4.21Å
163I96.9Very high97.8Very high87 Ų8736.9 Ų36.945%0.44621%0.21SC..SBendtrans-114.43.9178.765.4168.4000113.1S159 S165 F223S159-I163 WeakPolarHBondContact O-CG1 3.39Å; S159-I163 PolarHBondContact O-N 3.12Å; I163-S165 VanDerWaalsContact C-N 3.25Å; I163-S165 PolarHBondContact O-N 2.95Å; I163-F223 HydrophobicContact CD1-CZ 4.43Å; I163-F223 HydrophobicContact CG2-CE1 4.44Å; I163-F223 HydrophobicContact CG2-CZ 3.85Å
164G97.4Very high97.7Very high43 Ų4336.8 Ų36.844%0.44321%0.211SC..  trans63.329176.400000113.9S159 A160 S166S159-G164 PolarHBondContact O-N 3.16Å; A160-G164 WeakPolarHBondContact O-CA 3.45Å; A160-G164 PolarHBondContact O-N 3.19Å; G164-S166 PolarHBondContact O-N 3.35Å; G164-S166 VanDerWaalsContact O-N 3.14Å
165S98.1Very high97.5Very high7 Ų737.5 Ų37.55%0.04922%0.215CC..  trans-62.2115.8-178.4169.70000110.9L109 S159 I163 T167 S168 Q169L109-S165 WeakPolarHBondContact O-CB 3.46Å; L109-S165 PolarHBondContact O-OG 3.4Å; S159-S165 PolarHBondContact O-N 3.28Å; I163-S165 VanDerWaalsContact C-N 3.25Å; I163-S165 PolarHBondContact O-N 2.95Å; S165-T167 VanDerWaalsContact C-N 3.33Å; S165-T167 PolarHBondContact O-N 3.28Å; S165-S168 PolarHBondContact O-N 2.95Å; S165-S168 PolarHBondContact OG-N 2.8Å; S165-S168 PolarHBondContact OG-OG 2.89Å; S165-Q169 VanDerWaalsContact O-CG 3.32Å; S165-Q169 WeakPolarHBondContact O-CG 3.42Å; S165-Q169 PolarHBondContact O-N 2.97Å
166S97.9Very high97.3Very high69 Ų6944 Ų4448%0.48324%0.243SC..Hα-helixtrans-62.8-39.6178.756.90000111.9G164 S168 Q169 H170G164-S166 PolarHBondContact O-N 3.35Å; G164-S166 VanDerWaalsContact O-N 3.14Å; S166-S168 VanDerWaalsContact C-N 3.32Å; S166-S168 PolarHBondContact O-N 3.37Å; S166-Q169 PolarHBondContact O-N 3.15Å; S166-H170 PolarHBondContact O-N 3.03Å; S166-H170 PolarHBondContact O-ND1 3.37Å
167T96.9Very high96.9Very high64 Ų6447.9 Ų47.939%0.39326%0.261SS..Hα-helixtrans-56.8-47173.8-550000111.1T110 S165 H170 L171T110-T167 WeakPolarHBondContact OG1-CG2 3.24Å; S165-T167 VanDerWaalsContact C-N 3.33Å; S165-T167 PolarHBondContact O-N 3.28Å; T167-H170 PolarHBondContact O-N 3.23Å; T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 3.47Å
168S98.2Very high96.6Very high0 Ų047.8 Ų47.80%026%0.26CS..Hα-helixtrans-68.8-36.9178.3-68.20000112.8L109 T110 A156 S159 S165 S166 L171 V172L109-S168 PolarHBondContact O-OG 3.39Å; T110-S168 WeakPolarHBondContact CA-OG 3.22Å; T110-S168 PolarHBondContact O-OG 3.2Å; A156-S168 VanDerWaalsContact O-CB 3.29Å; A156-S168 WeakPolarHBondContact O-CB 3.5Å; S159-S168 VanDerWaalsContact CB-OG 3.29Å; S159-S168 WeakPolarHBondContact CB-OG 3.46Å; S165-S168 PolarHBondContact O-N 2.95Å; S165-S168 PolarHBondContact OG-N 2.8Å; S165-S168 PolarHBondContact OG-OG 2.89Å; S166-S168 VanDerWaalsContact C-N 3.32Å; S166-S168 PolarHBondContact O-N 3.37Å; S168-L171 WeakPolarHBondContact O-CB 3.11Å; S168-L171 PolarHBondContact O-N 3.44Å; S168-V172 VanDerWaalsContact O-CG2 3.25Å; S168-V172 WeakPolarHBondContact O-CG2 3.21Å; S168-V172 PolarHBondContact O-N 3Å
169Q98.2Very high96Very high95 Ų9550.7 Ų50.744%0.44428%0.277SS..Hα-helixtrans-61.9-45.2175.6-73.4168.5-5.100111.7A160 S165 S166 L171 V172 E173A160-Q169 HydrophobicContact CB-CG 3.81Å; S165-Q169 VanDerWaalsContact O-CG 3.32Å; S165-Q169 WeakPolarHBondContact O-CG 3.42Å; S165-Q169 PolarHBondContact O-N 2.97Å; S166-Q169 PolarHBondContact O-N 3.15Å; Q169-L171 VanDerWaalsContact C-N 3.35Å; Q169-L171 PolarHBondContact O-N 3.45Å; Q169-V172 PolarHBondContact O-N 3.4Å; Q169-E173 WeakPolarHBondContact O-CB 3.37Å; Q169-E173 PolarHBondContact O-N 3.31Å
170H97.4Very high95.4Very high136 Ų13653.3 Ų53.363%0.6330%0.295SS*.Hα-helixtrans-62.3-41.9175.3-67.4126.7000112S166 T167 E173 A174S166-H170 PolarHBondContact O-N 3.03Å; S166-H170 PolarHBondContact O-ND1 3.37Å; T167-H170 PolarHBondContact O-N 3.23Å; H170-E173 PolarHBondContact O-N 3.3Å; H170-A174 VanDerWaalsContact O-CB 3.24Å; H170-A174 WeakPolarHBondContact O-CB 3.47Å; H170-A174 PolarHBondContact O-N 3.12Å
171L97.6Very high94.7Very high6 Ų655.1 Ų55.13%0.03131%0.307CS..Hα-helixtrans-59.1-51.2175.2179.2167.8000111L35 I36 T110 A156 T167 S168 Q169 E173 A174 L175L35-L171 HydrophobicContact CB-CG 4.42Å; L35-L171 VanDerWaalsContact O-CD1 3.3Å; L35-L171 WeakPolarHBondContact O-CD1 3.46Å; I36-L171 HydrophobicContact CB-CD1 4.04Å; I36-L171 HydrophobicContact CD1-CD1 4.13Å; I36-L171 HydrophobicContact CG1-CD1 4.47Å; T110-L171 HydrophobicContact CG2-CD1 3.55Å; A156-L171 HydrophobicContact CB-CD1 3.91Å; A156-L171 HydrophobicContact CB-CD2 3.83Å; T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 3.47Å; S168-L171 WeakPolarHBondContact O-CB 3.11Å; S168-L171 PolarHBondContact O-N 3.44Å; Q169-L171 VanDerWaalsContact C-N 3.35Å; Q169-L171 PolarHBondContact O-N 3.45Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 2.9Å; L171-A174 WeakPolarHBondContact O-CB 3.39Å; L171-A174 PolarHBondContact O-N 3.07Å; L171-L175 HydrophobicContact CD2-CD1 3.47Å; L171-L175 VanDerWaalsContact CD2-CD1 3.47Å; L171-L175 HydrophobicContact CD2-CG 3.99Å; L171-L175 WeakPolarHBondContact O-CG 3.45Å; L171-L175 PolarHBondContact O-N 2.82Å
172V96.7Very high94.2Very high35 Ų3555 Ų5521%0.21231%0.306CS..Hα-helixtrans-62.1-41.4-179.2171.90000111.2C157 A160 S168 Q169 L175 K176C157-V172 HydrophobicContact CB-CG2 4.42Å; A160-V172 HydrophobicContact CB-CG2 4.38Å; S168-V172 VanDerWaalsContact O-CG2 3.25Å; S168-V172 WeakPolarHBondContact O-CG2 3.21Å; S168-V172 PolarHBondContact O-N 3Å; Q169-V172 PolarHBondContact O-N 3.4Å; V172-L175 PolarHBondContact O-N 3.42Å; V172-K176 PolarHBondContact O-N 3.27Å
173E97Very high93.7Very high101 Ų10154.4 Ų54.447%0.47231%0.306SS..Hα-helixtrans-65.3-41175.9-170.656.5-144.700111.8Q169 H170 L171 L175 K176Q169-E173 WeakPolarHBondContact O-CB 3.37Å; Q169-E173 PolarHBondContact O-N 3.31Å; H170-E173 PolarHBondContact O-N 3.3Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 2.9Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 2.94Å; E173-K176 WeakPolarHBondContact O-CB 3.12Å; E173-K176 PolarHBondContact O-N 3.17Å; E173-K176 WeakPolarHBondContact OE2-CE 3.35Å; E173-K176 IonicContact OE2-NZ 2.87Å; E173-K176 PolarHBondContact OE2-NZ 3.33Å
174A96.5Very high93.2Very high15 Ų1551.5 Ų51.512%0.12430%0.295CS..Hα-helixtrans-62.5-40.1175.700000112L35 H170 L171 K176 Q177 F178 Y319L35-A174 HydrophobicContact CD1-CB 3.74Å; L35-A174 HydrophobicContact CD2-CB 4.1Å; H170-A174 VanDerWaalsContact O-CB 3.24Å; H170-A174 WeakPolarHBondContact O-CB 3.47Å; H170-A174 PolarHBondContact O-N 3.12Å; L171-A174 WeakPolarHBondContact O-CB 3.39Å; L171-A174 PolarHBondContact O-N 3.07Å; A174-K176 VanDerWaalsContact C-N 3.27Å; A174-K176 PolarHBondContact O-N 2.95Å; A174-Q177 VanDerWaalsContact O-CB 3.28Å; A174-Q177 WeakPolarHBondContact O-CB 3.46Å; A174-Q177 PolarHBondContact O-N 3.33Å; A174-F178 VanDerWaalsContact O-CD2 3.29Å; A174-F178 WeakPolarHBondContact O-CD2 3.38Å; A174-Y319 HydrophobicContact CB-CD2 3.83Å; A174-Y319 HydrophobicContact CB-CE2 4.05Å
175L94.8Very high92.3Very high17 Ų1756 Ų569%0.08931%0.307CS..Hα-helixtrans-63.1-28.3179.2-73.5179.2000113.8I153 L171 V172 E173 Q177 F178 L256 L317I153-L175 HydrophobicContact CB-CD1 4.34Å; I153-L175 HydrophobicContact CD1-CD1 4.12Å; I153-L175 HydrophobicContact CG1-CD1 3.93Å; I153-L175 HydrophobicContact CG2-CD1 3.55Å; L171-L175 HydrophobicContact CD2-CD1 3.47Å; L171-L175 VanDerWaalsContact CD2-CD1 3.47Å; L171-L175 HydrophobicContact CD2-CG 3.99Å; L171-L175 WeakPolarHBondContact O-CG 3.45Å; L171-L175 PolarHBondContact O-N 2.82Å; V172-L175 PolarHBondContact O-N 3.42Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 2.94Å; L175-Q177 PolarHBondContact O-N 2.93Å; L175-Q177 VanDerWaalsContact O-N 3.11Å; L175-F178 HydrophobicContact CD2-CD2 4.29Å; L175-F178 HydrophobicContact CD2-CE2 4.44Å; L175-F178 HydrophobicContact CD2-CG 4.48Å; L175-F178 WeakPolarHBondContact O-CB 3.3Å; L175-F178 PolarHBondContact O-N 3.42Å; L175-L256 HydrophobicContact CD2-CD2 4.4Å; L175-L317 HydrophobicContact CD2-CD1 3.6Å
176K92.5Very high91.1Very high137 Ų13757.5 Ų57.560%0.59631%0.314SS*.THydrogen-bonded Turntrans-60.7-21.4173.5-64.4174.5-174.4168.70112.5V172 E173 A174 F178V172-K176 PolarHBondContact O-N 3.27Å; E173-K176 WeakPolarHBondContact O-CB 3.12Å; E173-K176 PolarHBondContact O-N 3.17Å; E173-K176 WeakPolarHBondContact OE2-CE 3.35Å; E173-K176 IonicContact OE2-NZ 2.87Å; E173-K176 PolarHBondContact OE2-NZ 3.33Å; A174-K176 VanDerWaalsContact C-N 3.27Å; A174-K176 PolarHBondContact O-N 2.95Å; K176-F178 VanDerWaalsContact C-N 3.34Å
177Q91.8Very high89.6Confident80 Ų8060.1 Ų60.137%0.37432%0.323SS..THydrogen-bonded Turntrans-89.75.9177.3-55.8-62.9-31.300112.5R15 A174 L175 Y319R15-Q177 VanDerWaalsContact NH1-OE1 3.14Å; R15-Q177 PolarHBondContact NH2-O 3.18Å; A174-Q177 VanDerWaalsContact O-CB 3.28Å; A174-Q177 WeakPolarHBondContact O-CB 3.46Å; A174-Q177 PolarHBondContact O-N 3.33Å; L175-Q177 PolarHBondContact O-N 2.93Å; L175-Q177 VanDerWaalsContact O-N 3.11Å; Q177-Y319 HydrophobicContact CB-CE2 4.23Å; Q177-Y319 HydrophobicContact CG-CE2 4.44Å
178F92.1Very high88.2Confident11 Ų1166.2 Ų66.25%0.04835%0.347CS..SBendtrans-92.5152.5178.4-79.6-118.2000110.9L35 A174 L175 K176 S180 L256 N260 L317 Y318 Y319L35-F178 HydrophobicContact CD1-CE2 3.65Å; L35-F178 HydrophobicContact CD1-CZ 3.7Å; A174-F178 VanDerWaalsContact O-CD2 3.29Å; A174-F178 WeakPolarHBondContact O-CD2 3.38Å; L175-F178 HydrophobicContact CD2-CD2 4.29Å; L175-F178 HydrophobicContact CD2-CE2 4.44Å; L175-F178 HydrophobicContact CD2-CG 4.48Å; L175-F178 WeakPolarHBondContact O-CB 3.3Å; L175-F178 PolarHBondContact O-N 3.42Å; K176-F178 VanDerWaalsContact C-N 3.34Å; F178-S180 PolarHBondContact O-N 3.31Å; F178-L256 HydrophobicContact CB-CD1 3.84Å; F178-L256 HydrophobicContact CB-CD2 4.31Å; F178-L256 HydrophobicContact CB-CG 3.9Å; F178-N260 HydrophobicContact CD1-CB 3.52Å; F178-N260 HydrophobicContact CE1-CB 3.93Å; F178-L317 HydrophobicContact CE1-CB 4.02Å; F178-L317 HydrophobicContact CE1-CD2 4.27Å; F178-L317 HydrophobicContact CZ-CB 4.33Å; F178-Y318 WeakPolarHBondContact CZ-O 3.28Å; F178-Y319 HydrophobicContact CE2-CD2 4.1Å
179V85.1Confident86.3Confident60 Ų6073.6 Ų73.636%0.36439%0.387SS..  trans-74120.7176.1-177.10000109.1L256 R259 N260V179-L256 WeakPolarHBondContact O-CA 3.39Å; V179-R259 VanDerWaalsContact CG1-CZ 3.47Å; V179-N260 PolarHBondContact O-ND2 3.04Å
180S84.9Confident85.3Confident55 Ų5570.7 Ų70.739%0.38538%0.382SS..  trans-118.51.1179.157.40000113.9F178 T182F178-S180 PolarHBondContact O-N 3.31Å; S180-T182 PolarHBondContact O-N 3.35Å
181S84Confident84.7Confident53 Ų5368.2 Ų68.237%0.37137%0.373SS..  trans-65.9128.6-176.375.50000110.9S183 C255 R259S181-S183 WeakPolarHBondContact CB-O 3.25Å; S181-S183 PolarHBondContact OG-O 3.43Å; S181-C255 PolarHBondContact O-SG 3.45Å; S181-R259 PolarHBondContact O-NH1 3.33Å; S181-R259 PolarHBondContact OG-NH1 3.21Å
182T86.6Confident84Confident28 Ų2869.3 Ų69.317%0.17238%0.379CS..SBendtrans-81.1-9174.958.90000112.8S180 Y193 H194 L197 T251 C255S180-T182 PolarHBondContact O-N 3.35Å; T182-Y193 WeakPolarHBondContact O-CA 3.41Å; T182-H194 PolarHBondContact O-N 2.99Å; T182-L197 HydrophobicContact CG2-CD1 4.42Å; T182-T251 HydrophobicContact CG2-CG2 4.22Å; T182-C255 HydrophobicContact CG2-CB 4Å
183S87.3Confident83.5Confident44 Ų4474.2 Ų74.231%0.30839%0.394SS..EExtended strand (participates in β ladder)trans-139.7162177.160.30000112.3S181 L192S181-S183 WeakPolarHBondContact CB-O 3.25Å; S181-S183 PolarHBondContact OG-O 3.43Å; S183-L192 CarbonylContact C-O 3.58Å; S183-L192 WeakPolarHBondContact CA-O 3.39Å; S183-L192 WeakPolarHBondContact CB-O 3.46Å
184A85.6Confident83Confident25 Ų2569.8 Ų69.821%0.20737%0.374CS..EExtended strand (participates in β ladder)trans-144.4135.3171.700000110.3L192 L383A184-L192 PolarHBondContact N-O 3.32Å; A184-L192 PolarHBondContact O-N 3Å; A184-L383 HydrophobicContact CB-CB 3.74Å; A184-L383 HydrophobicContact CB-CD1 4.35Å; A184-L383 WeakPolarHBondContact CB-O 3.34Å
185I80.5Confident82.5Confident138 Ų13871.9 Ų71.971%0.70838%0.381SS*.EExtended strand (participates in β ladder)trans-77.2127.2175.6-58.1171.9000108.6I191I185-I191 HydrophobicContact CG1-CG1 4.4Å
186I71.3Confident81.9Confident38 Ų3872.2 Ų72.220%0.19538%0.382CS..  trans-107.693.5169.8-48.5156.5000108.9N189 G190 L192 W385I186-N189 PolarHBondContact O-N 2.7Å; I186-G190 PolarHBondContact N-O 3.35Å; I186-L192 HydrophobicContact CD1-CB 4.5Å; I186-L192 HydrophobicContact CD1-CD1 3.53Å; I186-L192 HydrophobicContact CD1-CD2 3.41Å; I186-L192 VanDerWaalsContact CD1-CD2 3.41Å; I186-L192 HydrophobicContact CD1-CG 3.17Å; I186-L192 HydrophobicContact CG1-CD1 3.87Å; I186-L192 HydrophobicContact CG1-CD2 4.47Å; I186-L192 HydrophobicContact CG1-CG 3.73Å; I186-W385 HydrophobicContact CD1-CZ2 4.42Å; I186-W385 VanDerWaalsContact CG2-CD1 3.5Å
187N67.3Low81.3Confident125 Ų12568.9 Ų68.967%0.66837%0.371SS*.G310 helixtrans49.3-152.5174.9-58.6-7.9000112N189N187-N189 PolarHBondContact O-N 3.46Å
188E67Low80.8Confident191 Ų19166.4 Ų66.489%0.89337%0.367SS*.G310 helixtrans-69.6-11178.7-60.9176.4-177.500113.6
189N58.1Low80Confident155 Ų15573 Ų7383%0.82940%0.402SS*.G310 helixtrans-101.42.5-162.1-68.4-18000115.2I186 N187I186-N189 PolarHBondContact O-N 2.7Å; N187-N189 PolarHBondContact O-N 3.46Å
190G77.6Confident79.5Confident34 Ų3477 Ų7735%0.35142%0.417SS..  trans141.7179.5168.800000116I186I186-G190 PolarHBondContact N-O 3.35Å
191I83.9Confident79.2Confident84 Ų8477.5 Ų77.543%0.43141%0.412SS..EExtended strand (participates in β ladder)trans-110.5128-179.6-59.7175000108I185 Y193I185-I191 HydrophobicContact CG1-CG1 4.4Å; I191-Y193 HydrophobicContact CB-CE2 4.11Å; I191-Y193 HydrophobicContact CG2-CD2 4.36Å; I191-Y193 HydrophobicContact CG2-CE1 4.21Å; I191-Y193 HydrophobicContact CG2-CE2 3.84Å
192L83.8Confident78.8Confident30 Ų3076.6 Ų76.616%0.15741%0.408CS..EExtended strand (participates in β ladder)trans-81.4141.5165-62.8176.3000109.5S183 A184 I186 L383S183-L192 CarbonylContact C-O 3.58Å; S183-L192 WeakPolarHBondContact CA-O 3.39Å; S183-L192 WeakPolarHBondContact CB-O 3.46Å; A184-L192 PolarHBondContact N-O 3.32Å; A184-L192 PolarHBondContact O-N 3Å; I186-L192 HydrophobicContact CD1-CB 4.5Å; I186-L192 HydrophobicContact CD1-CD1 3.53Å; I186-L192 HydrophobicContact CD1-CD2 3.41Å; I186-L192 VanDerWaalsContact CD1-CD2 3.41Å; I186-L192 HydrophobicContact CD1-CG 3.17Å; I186-L192 HydrophobicContact CG1-CD1 3.87Å; I186-L192 HydrophobicContact CG1-CD2 4.47Å; I186-L192 HydrophobicContact CG1-CG 3.73Å; L192-L383 HydrophobicContact CB-CB 4.49Å; L192-L383 HydrophobicContact CB-CD2 3.85Å; L192-L383 HydrophobicContact CD1-CB 4.39Å
193Y86Confident78.5Confident137 Ų13779.9 Ų79.954%0.53743%0.429SS..EExtended strand (participates in β ladder)trans-113.3143.7167.1-64.4-86.9000109T182 I191 L197T182-Y193 WeakPolarHBondContact O-CA 3.41Å; I191-Y193 HydrophobicContact CB-CE2 4.11Å; I191-Y193 HydrophobicContact CG2-CD2 4.36Å; I191-Y193 HydrophobicContact CG2-CE1 4.21Å; I191-Y193 HydrophobicContact CG2-CE2 3.84Å; Y193-L197 HydrophobicContact CD1-CD1 3.92Å
194H86.7Confident78.4Confident9 Ų981.3 Ų81.34%0.04243%0.43CS..  trans-62.9142.3177.3-173.2-92.5000109.4T182 I196 L197 N381 L383T182-H194 PolarHBondContact O-N 2.99Å; H194-I196 HydrophobicContact CB-CG2 4.2Å; H194-I196 WeakPolarHBondContact ND1-CB 3.35Å; H194-I196 WeakPolarHBondContact ND1-CG2 3.31Å; H194-I196 PolarHBondContact ND1-N 3.45Å; H194-I196 VanDerWaalsContact ND1-N 3.13Å; H194-I196 PolarHBondContact O-N 3.42Å; H194-L197 WeakPolarHBondContact O-CB 3.44Å; H194-L197 PolarHBondContact O-N 2.87Å; H194-N381 PolarHBondContact CD2-O 3.34Å; H194-N381 PolarHBondContact NE2-O 3.13Å; H194-L383 HydrophobicContact CB-CD1 4.37Å; H194-L383 HydrophobicContact CB-CD2 4.23Å
195Q85.7Confident78.6Confident58 Ų5880.5 Ų80.527%0.27142%0.422SS..G310 helixtrans-54.3-28.7-177.6179.9167.9-8.500113.1L197 G198 F201 S380Q195-L197 PolarHBondContact O-N 3.19Å; Q195-G198 PolarHBondContact O-N 3.37Å; Q195-F201 HydrophobicContact CG-CD2 4.35Å; Q195-F201 HydrophobicContact CG-CE2 3.61Å; Q195-F201 HydrophobicContact CG-CZ 4.32Å; Q195-F201 WeakPolarHBondContact O-CD2 3.21Å; Q195-S380 PolarHBondContact N-O 2.94Å
196I82.6Confident79.2Confident24 Ų2479.4 Ų79.412%0.12341%0.414CS..G310 helixtrans-58.3-27.3173.9-152171.7000113.3H194 G198 F201 I205 T251 L254H194-I196 HydrophobicContact CB-CG2 4.2Å; H194-I196 WeakPolarHBondContact ND1-CB 3.35Å; H194-I196 WeakPolarHBondContact ND1-CG2 3.31Å; H194-I196 PolarHBondContact ND1-N 3.45Å; H194-I196 VanDerWaalsContact ND1-N 3.13Å; H194-I196 PolarHBondContact O-N 3.42Å; I196-G198 VanDerWaalsContact C-N 3.27Å; I196-F201 WeakPolarHBondContact O-CB 3.4Å; I196-I205 HydrophobicContact CG1-CD1 4.11Å; I196-I205 WeakPolarHBondContact O-CD1 3.46Å; I196-T251 HydrophobicContact CG2-CG2 3.75Å; I196-L254 HydrophobicContact CD1-CB 3.47Å; I196-L254 VanDerWaalsContact CD1-CB 3.47Å; I196-L254 HydrophobicContact CD1-CD1 3.61Å; I196-L254 HydrophobicContact CD1-CG 4.15Å
197L80.5Confident80.3Confident68 Ų6882.4 Ų82.436%0.35643%0.427SS..G310 helixtrans-83.8-1.8175.1-70.4177.1000113.1T182 Y193 H194 Q195 T251T182-L197 HydrophobicContact CG2-CD1 4.42Å; Y193-L197 HydrophobicContact CD1-CD1 3.92Å; H194-L197 WeakPolarHBondContact O-CB 3.44Å; H194-L197 PolarHBondContact O-N 2.87Å; Q195-L197 PolarHBondContact O-N 3.19Å; L197-T251 HydrophobicContact CD2-CG2 3.42Å; L197-T251 VanDerWaalsContact CD2-CG2 3.42Å; L197-T251 HydrophobicContact CG-CG2 4.04Å
198G79.8Confident81.6Confident28 Ų2876.9 Ų76.929%0.28940%0.398SS..SBendtrans-69.7152.5179.500000112.3Q195 I196 Q200 F201 A202Q195-G198 PolarHBondContact O-N 3.37Å; I196-G198 VanDerWaalsContact C-N 3.27Å; G198-Q200 PolarHBondContact O-N 2.91Å; G198-F201 PolarHBondContact O-N 2.8Å; G198-A202 PolarHBondContact O-N 3Å
199D75.6Confident83Confident149 Ų14968.5 Ų68.580%0.79736%0.359SS*.Hα-helixtrans-54.4-30.9-176.7-61.8-34.4000113.4F201 A202D199-F201 PolarHBondContact O-N 2.97Å; D199-A202 PolarHBondContact O-N 3.29Å
200Q75.2Confident84.8Confident143 Ų14364.2 Ų64.267%0.66834%0.341SS*.Hα-helixtrans-60.6-27.7177.3-63.8177.8-2.800113.2G198G198-Q200 PolarHBondContact O-N 2.91Å
201F77.6Confident85.7Confident66 Ų6662.7 Ų62.729%0.28933%0.325SS..Hα-helixtrans-105.9-14.4-177.6-59.3-83.3000112.7Q195 I196 G198 D199 T203 H204 I205Q195-F201 HydrophobicContact CG-CD2 4.35Å; Q195-F201 HydrophobicContact CG-CE2 3.61Å; Q195-F201 HydrophobicContact CG-CZ 4.32Å; Q195-F201 WeakPolarHBondContact O-CD2 3.21Å; I196-F201 WeakPolarHBondContact O-CB 3.4Å; G198-F201 PolarHBondContact O-N 2.8Å; D199-F201 PolarHBondContact O-N 2.97Å; F201-T203 PolarHBondContact O-N 2.89Å; F201-H204 PolarHBondContact O-N 2.53Å; F201-I205 HydrophobicContact CB-CD1 3.95Å; F201-I205 HydrophobicContact CB-CG1 4.4Å; F201-I205 WeakPolarHBondContact O-CD1 3.23Å; F201-I205 VanDerWaalsContact O-CG1 3.23Å; F201-I205 WeakPolarHBondContact O-CG1 3.42Å; F201-I205 PolarHBondContact O-N 3.39Å
202A76.6Confident86.4Confident34 Ų3458.7 Ų58.728%0.28130%0.304SS..Hα-helixtrans-58.1-45-168.700000113.9G198 D199 I205G198-A202 PolarHBondContact O-N 3Å; D199-A202 PolarHBondContact O-N 3.29Å; A202-I205 PolarHBondContact O-N 3.26Å
203T80Confident87.1Confident98 Ų9859.3 Ų59.360%0.60131%0.307SS*.Hα-helixtrans-65.8-45.2178.650.50000111.9F201 I205 E206F201-T203 PolarHBondContact O-N 2.89Å; T203-I205 VanDerWaalsContact C-N 3.33Å; T203-I205 PolarHBondContact O-N 2.95Å; T203-E206 PolarHBondContact O-N 3.45Å
204H85.9Confident87.6Confident74 Ų7456 Ų5634%0.34330%0.296SS..Hα-helixtrans-64.6-37.2179-61.9105.1000111.9F201 E206 E207 I208F201-H204 PolarHBondContact O-N 2.53Å; H204-E206 VanDerWaalsContact C-N 3.3Å; H204-E206 PolarHBondContact O-N 2.92Å; H204-E207 PolarHBondContact O-N 2.9Å; H204-I208 HydrophobicContact CB-CD1 4.31Å; H204-I208 WeakPolarHBondContact O-CB 3.46Å; H204-I208 WeakPolarHBondContact O-CD1 3.32Å; H204-I208 WeakPolarHBondContact O-CG1 3.4Å; H204-I208 PolarHBondContact O-N 3.25Å
205I89.9Confident88.1Confident8 Ų855.6 Ų55.64%0.04130%0.295CS..Hα-helixtrans-60.9-38.5179.3-71.9161.9000112I196 F201 A202 T203 H209 F250I196-I205 HydrophobicContact CG1-CD1 4.11Å; I196-I205 WeakPolarHBondContact O-CD1 3.46Å; F201-I205 HydrophobicContact CB-CD1 3.95Å; F201-I205 HydrophobicContact CB-CG1 4.4Å; F201-I205 WeakPolarHBondContact O-CD1 3.23Å; F201-I205 VanDerWaalsContact O-CG1 3.23Å; F201-I205 WeakPolarHBondContact O-CG1 3.42Å; F201-I205 PolarHBondContact O-N 3.39Å; A202-I205 PolarHBondContact O-N 3.26Å; T203-I205 VanDerWaalsContact C-N 3.33Å; T203-I205 PolarHBondContact O-N 2.95Å; I205-H209 WeakPolarHBondContact O-CB 3.36Å; I205-H209 PolarHBondContact O-N 2.66Å; I205-F250 HydrophobicContact CG2-CE1 4.44Å
206E91.8Very high88.6Confident114 Ų11452.8 Ų52.853%0.53328%0.282SS..Hα-helixtrans-65.8-43.6179.7-68.9-177.1173.700111.5T203 H204 H209 S210 K247T203-E206 PolarHBondContact O-N 3.45Å; H204-E206 VanDerWaalsContact C-N 3.3Å; H204-E206 PolarHBondContact O-N 2.92Å; E206-H209 PolarHBondContact O-N 3.07Å; E206-S210 WeakPolarHBondContact O-CB 3.11Å; E206-S210 PolarHBondContact O-N 3.15Å; E206-K247 HydrophobicContact CG-CD 4.44Å; E206-K247 VanDerWaalsContact CG-NZ 3.25Å; E206-K247 IonicContact OE1-NZ 3.93Å; E206-K247 PolarHBondContact OE1-NZ 3.09Å
207E94Very high89.2Confident102 Ų10253.5 Ų53.548%0.47729%0.286SS..Hα-helixtrans-65.5-45.9176.5-170.4177-164.300111.6I134 H204 H209 S210 A211I134-E207 HydrophobicContact CD1-CG 4.15Å; I134-E207 HydrophobicContact CG1-CG 4.44Å; I134-E207 HydrophobicContact CG2-CB 4.37Å; I134-E207 HydrophobicContact CG2-CG 3.86Å; H204-E207 PolarHBondContact O-N 2.9Å; E207-H209 VanDerWaalsContact C-N 3.33Å; E207-H209 PolarHBondContact O-N 2.98Å; E207-S210 PolarHBondContact O-N 2.84Å; E207-A211 PolarHBondContact O-N 3.34Å
208I95Very high89.9Confident8 Ų852.4 Ų52.44%0.04128%0.278CS..Hα-helixtrans-60.2-44.1175.8-65.1162.4000110.2L131 I134 W135 I147 H204 A211 F212 F250L131-I208 HydrophobicContact CD1-CG2 4.11Å; I134-I208 HydrophobicContact CG2-CG1 3.7Å; W135-I208 HydrophobicContact CE3-CD1 4.12Å; W135-I208 HydrophobicContact CE3-CG2 4.48Å; W135-I208 HydrophobicContact CZ3-CD1 4.38Å; I147-I208 HydrophobicContact CD1-CG2 4.26Å; I147-I208 HydrophobicContact CG1-CG2 4.43Å; H204-I208 HydrophobicContact CB-CD1 4.31Å; H204-I208 WeakPolarHBondContact O-CB 3.46Å; H204-I208 WeakPolarHBondContact O-CD1 3.32Å; H204-I208 WeakPolarHBondContact O-CG1 3.4Å; H204-I208 PolarHBondContact O-N 3.25Å; I208-A211 PolarHBondContact O-N 2.83Å; I208-F212 VanDerWaalsContact O-CB 3.24Å; I208-F212 WeakPolarHBondContact O-CB 3.38Å; I208-F212 PolarHBondContact O-N 3.21Å; I208-F250 HydrophobicContact CG2-CE1 4.39Å; I208-F250 HydrophobicContact CG2-CZ 3.9Å
209H96.5Very high90.6Very high16 Ų1651 Ų517%0.07426%0.264CS..Hα-helixtrans-65-44-179.4-176.7-143.5000111.4I205 E206 E207 A211 F212 I213 L244 L245 K247 F250I205-H209 WeakPolarHBondContact O-CB 3.36Å; I205-H209 PolarHBondContact O-N 2.66Å; E206-H209 PolarHBondContact O-N 3.07Å; E207-H209 VanDerWaalsContact C-N 3.33Å; E207-H209 PolarHBondContact O-N 2.98Å; H209-A211 PolarHBondContact O-N 3.02Å; H209-F212 WeakPolarHBondContact O-CB 3.24Å; H209-F212 PolarHBondContact O-N 3.31Å; H209-F212 VanDerWaalsContact O-N 3.15Å; H209-I213 WeakPolarHBondContact O-CG1 3.33Å; H209-I213 PolarHBondContact O-N 3.23Å; H209-L244 PolarHBondContact NE2-O 2.95Å; H209-L245 PolarHBondContact CE1-O 3.46Å; H209-K247 VanDerWaalsContact CE1-CA 3.47Å; H209-K247 WeakPolarHBondContact CE1-CA 3.47Å; H209-K247 PolarHBondContact CE1-N 2.84Å; H209-K247 VanDerWaalsContact CE1-N 3.34Å; H209-F250 HydrophobicContact CB-CD1 3.68Å; H209-F250 HydrophobicContact CB-CE1 3.7Å; H209-F250 HydrophobicContact CB-CG 4.36Å; H209-F250 HydrophobicContact CB-CZ 4.42Å; H209-F250 AromaticContact CD2-CD1 3.57Å; H209-F250 AromaticContact CD2-CD2 3.78Å; H209-F250 AromaticContact CD2-CG 3.33Å; H209-F250 WeakPolarHBondContact CD2-CG 3.42Å; H209-F250 AromaticContact CG-CD1 3.7Å; H209-F250 AromaticContact CG-CG 3.95Å; H209-F250 AromaticContact NE2-CG 3.93Å
210S96.9Very high91.5Very high65 Ų6544 Ų4446%0.45523%0.226SC..Hα-helixtrans-58.5-47.3175-172.30000111.6E206 E207 F212 I213 E214E206-S210 WeakPolarHBondContact O-CB 3.11Å; E206-S210 PolarHBondContact O-N 3.15Å; E207-S210 PolarHBondContact O-N 2.84Å; S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 2.93Å; S210-I213 PolarHBondContact O-N 3.41Å; S210-E214 PolarHBondContact O-N 3.29Å
211A96.9Very high92.3Very high2 Ų242.2 Ų42.22%0.01722%0.218CC..Hα-helixtrans-65.4-34.5176.400000112.4L131 I134 E207 I208 H209 E214 V215L131-A211 HydrophobicContact CB-CB 4.44Å; L131-A211 HydrophobicContact CD1-CB 3.92Å; I134-A211 HydrophobicContact CD1-CB 3.53Å; E207-A211 PolarHBondContact O-N 3.34Å; I208-A211 PolarHBondContact O-N 2.83Å; H209-A211 PolarHBondContact O-N 3.02Å; A211-E214 WeakPolarHBondContact O-CB 3.47Å; A211-E214 PolarHBondContact O-N 3.03Å; A211-V215 PolarHBondContact O-N 3.4Å; A211-V215 VanDerWaalsContact O-N 3.13Å
212F97.9Very high93Very high0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-66.9-38.3175.6-175.9-97.7000112.1L131 I147 L150 V151 V154 I208 H209 S210 E214 V215 L216 L244 F250L131-F212 HydrophobicContact CD1-CB 4.37Å; L131-F212 HydrophobicContact CD2-CD2 4.05Å; I147-F212 HydrophobicContact CD1-CD2 4.16Å; I147-F212 HydrophobicContact CD1-CE2 4.49Å; I147-F212 HydrophobicContact CG1-CD2 4.26Å; L150-F212 HydrophobicContact CB-CE2 4.4Å; L150-F212 HydrophobicContact CD2-CE1 4.29Å; L150-F212 HydrophobicContact CD2-CE2 3.91Å; L150-F212 HydrophobicContact CD2-CZ 3.71Å; L150-F212 HydrophobicContact CG-CE2 3.81Å; L150-F212 HydrophobicContact CG-CZ 3.64Å; V151-F212 HydrophobicContact CG2-CD2 4.25Å; V151-F212 HydrophobicContact CG2-CE2 3.94Å; V154-F212 HydrophobicContact CG2-CZ 3.75Å; I208-F212 VanDerWaalsContact O-CB 3.24Å; I208-F212 WeakPolarHBondContact O-CB 3.38Å; I208-F212 PolarHBondContact O-N 3.21Å; H209-F212 WeakPolarHBondContact O-CB 3.24Å; H209-F212 PolarHBondContact O-N 3.31Å; H209-F212 VanDerWaalsContact O-N 3.15Å; S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 2.93Å; F212-E214 VanDerWaalsContact C-N 3.31Å; F212-E214 PolarHBondContact O-N 2.95Å; F212-V215 WeakPolarHBondContact O-CA 3.45Å; F212-V215 WeakPolarHBondContact O-CB 2.88Å; F212-V215 PolarHBondContact O-N 2.83Å; F212-V215 VanDerWaalsContact O-N 3.13Å; F212-L216 HydrophobicContact CD1-CD1 3.98Å; F212-L216 HydrophobicContact CD1-CD2 4.46Å; F212-L216 HydrophobicContact CD1-CG 3.97Å; F212-L216 HydrophobicContact CE1-CD1 3.71Å; F212-L216 HydrophobicContact CE1-CD2 3.72Å; F212-L216 HydrophobicContact CE1-CG 3.69Å; F212-L216 HydrophobicContact CZ-CD2 3.89Å; F212-L216 HydrophobicContact CZ-CG 4.28Å; F212-L216 WeakPolarHBondContact O-CG 3.43Å; F212-L216 PolarHBondContact O-N 3.13Å; F212-L244 HydrophobicContact CE1-CB 4.2Å; F212-L244 HydrophobicContact CE1-CD1 4.17Å; F212-L244 HydrophobicContact CZ-CD1 4.35Å; F212-F250 HydrophobicContact CB-CE2 3.92Å; F212-F250 HydrophobicContact CB-CZ 4.29Å; F212-F250 AromaticContact CD1-CD2 3.64Å; F212-F250 HydrophobicContact CD1-CD2 3.64Å; F212-F250 AromaticContact CD1-CE2 3.55Å; F212-F250 HydrophobicContact CD1-CE2 3.55Å; F212-F250 HydrophobicContact CD2-CE2 4.03Å; F212-F250 AromaticContact CE1-CD2 3.91Å; F212-F250 HydrophobicContact CE1-CD2 3.91Å; F212-F250 AromaticContact CE1-CE2 4Å; F212-F250 HydrophobicContact CE1-CE2 4Å; F212-F250 HydrophobicContact CE2-CE2 4.44Å; F212-F250 HydrophobicContact CG-CD2 4.15Å; F212-F250 AromaticContact CG-CE2 3.56Å; F212-F250 HydrophobicContact CG-CE2 3.56Å; F212-F250 HydrophobicContact CG-CZ 4.37Å; F212-F250 HydrophobicContact CZ-CE2 4.42Å
213I98Very high93.8Very high42 Ų4241.6 Ų41.622%0.21521%0.209CC..Hα-helixtrans-60.2-42.6173.3-69.7168.1000110.7H209 S210 V215 L216 L217 L245H209-I213 WeakPolarHBondContact O-CG1 3.33Å; H209-I213 PolarHBondContact O-N 3.23Å; S210-I213 PolarHBondContact O-N 3.41Å; I213-V215 VanDerWaalsContact C-N 3.28Å; I213-V215 PolarHBondContact O-N 3.37Å; I213-L216 WeakPolarHBondContact O-CB 3.42Å; I213-L216 PolarHBondContact O-N 3.4Å; I213-L217 HydrophobicContact CG2-CD1 4.03Å; I213-L217 HydrophobicContact CG2-CG 4.42Å; I213-L217 WeakPolarHBondContact O-CG 3.12Å; I213-L217 PolarHBondContact O-N 3.08Å; I213-L245 HydrophobicContact CG1-CD2 4.14Å; I213-L245 HydrophobicContact CG2-CD2 3.91Å
214E96.5Very high94.5Very high67 Ų6738.5 Ų38.531%0.31319%0.191SC..Hα-helixtrans-59.3-41.2174.6-67172.9-153.300111.4P127 K130 S210 A211 F212 F218P127-E214 HydrophobicContact CB-CB 4Å; P127-E214 HydrophobicContact CG-CB 4.36Å; K130-E214 WeakPolarHBondContact CD-OE2 3.38Å; K130-E214 IonicContact NZ-OE1 3.11Å; K130-E214 PolarHBondContact NZ-OE1 3.38Å; K130-E214 IonicContact NZ-OE2 3.73Å; K130-E214 PolarHBondContact NZ-OE2 3.37Å; S210-E214 PolarHBondContact O-N 3.29Å; A211-E214 WeakPolarHBondContact O-CB 3.47Å; A211-E214 PolarHBondContact O-N 3.03Å; F212-E214 VanDerWaalsContact C-N 3.31Å; F212-E214 PolarHBondContact O-N 2.95Å; E214-F218 WeakPolarHBondContact O-CB 3.35Å; E214-F218 PolarHBondContact O-N 3.05Å
215V96.7Very high94.8Very high1 Ų142.5 Ų42.51%0.00621%0.21CC..Hα-helixtrans-62.6-45.9173.71710000111.8P127 L128 L131 V151 A211 F212 I213 L217 F218 L219P127-V215 VanDerWaalsContact C-CG2 3.45Å; P127-V215 HydrophobicContact CB-CB 4.48Å; P127-V215 HydrophobicContact CB-CG2 3.7Å; P127-V215 WeakPolarHBondContact O-CG2 3.49Å; L128-V215 HydrophobicContact CD2-CG1 3.57Å; L128-V215 HydrophobicContact CD2-CG2 4.09Å; L128-V215 HydrophobicContact CG-CG1 4.42Å; L128-V215 HydrophobicContact CG-CG2 4.44Å; L131-V215 HydrophobicContact CB-CG2 4.07Å; L131-V215 HydrophobicContact CD2-CG2 3.89Å; V151-V215 HydrophobicContact CG1-CG1 4.24Å; V151-V215 HydrophobicContact CG2-CG1 4.37Å; A211-V215 PolarHBondContact O-N 3.4Å; A211-V215 VanDerWaalsContact O-N 3.13Å; F212-V215 WeakPolarHBondContact O-CA 3.45Å; F212-V215 WeakPolarHBondContact O-CB 2.88Å; F212-V215 PolarHBondContact O-N 2.83Å; F212-V215 VanDerWaalsContact O-N 3.13Å; I213-V215 VanDerWaalsContact C-N 3.28Å; I213-V215 PolarHBondContact O-N 3.37Å; V215-L217 PolarHBondContact O-N 2.9Å; V215-F218 PolarHBondContact O-N 3.21Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.1Å; V215-L219 WeakPolarHBondContact O-CB 3.39Å; V215-L219 VanDerWaalsContact O-CG 3.29Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.48Å
216L96.5Very high95Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-56.5-51.7178.5-70.9-178.9000111.5V154 F212 I213 F218 C220 L244 L245V154-L216 HydrophobicContact CB-CD2 4.18Å; V154-L216 HydrophobicContact CG1-CD2 3.59Å; V154-L216 HydrophobicContact CG2-CD2 3.53Å; F212-L216 HydrophobicContact CD1-CD1 3.98Å; F212-L216 HydrophobicContact CD1-CD2 4.46Å; F212-L216 HydrophobicContact CD1-CG 3.97Å; F212-L216 HydrophobicContact CE1-CD1 3.71Å; F212-L216 HydrophobicContact CE1-CD2 3.72Å; F212-L216 HydrophobicContact CE1-CG 3.69Å; F212-L216 HydrophobicContact CZ-CD2 3.89Å; F212-L216 HydrophobicContact CZ-CG 4.28Å; F212-L216 WeakPolarHBondContact O-CG 3.43Å; F212-L216 PolarHBondContact O-N 3.13Å; I213-L216 WeakPolarHBondContact O-CB 3.42Å; I213-L216 PolarHBondContact O-N 3.4Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.24Å; L216-C220 WeakPolarHBondContact O-CB 3.41Å; L216-C220 PolarHBondContact O-N 2.88Å; L216-L244 HydrophobicContact CD1-CB 3.94Å; L216-L245 HydrophobicContact CD1-CD2 4.02Å
217L95.8Very high95.1Very high39 Ų3942.6 Ų42.620%0.20422%0.219CC..Hα-helixtrans-64.2-41-179.2-65.4174000111.2I213 V215 C220 Q221 Y229 C232 I233 L236I213-L217 HydrophobicContact CG2-CD1 4.03Å; I213-L217 HydrophobicContact CG2-CG 4.42Å; I213-L217 WeakPolarHBondContact O-CG 3.12Å; I213-L217 PolarHBondContact O-N 3.08Å; V215-L217 PolarHBondContact O-N 2.9Å; L217-C220 PolarHBondContact O-N 2.65Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.49Å; L217-Q221 PolarHBondContact O-N 3.21Å; L217-Y229 HydrophobicContact CD1-CD2 4.24Å; L217-Y229 HydrophobicContact CD1-CE2 3.86Å; L217-Y229 HydrophobicContact CD2-CD2 4.12Å; L217-Y229 HydrophobicContact CD2-CE2 3.87Å; L217-C232 HydrophobicContact CD2-CB 4.04Å; L217-I233 HydrophobicContact CD2-CD1 4.35Å; L217-L236 HydrophobicContact CD2-CD1 4.4Å
218F94.1Very high95.2Very high44 Ų4440 Ų4019%0.19321%0.212CC..Hα-helixtrans-62.4-50.8177.7171.5-101.7000112.9M117 P127 E214 V215 L216 C220 Q221 K222M117-F218 HydrophobicContact CE-CE1 4.06Å; M117-F218 HydrophobicContact CE-CZ 3.55Å; M117-F218 HydrophobicContact SD-CE1 3.78Å; M117-F218 HydrophobicContact SD-CZ 3.77Å; P127-F218 HydrophobicContact CB-CB 4.38Å; P127-F218 HydrophobicContact CG-CB 3.86Å; P127-F218 HydrophobicContact CG-CD2 4.26Å; P127-F218 HydrophobicContact CG-CG 3.96Å; E214-F218 WeakPolarHBondContact O-CB 3.35Å; E214-F218 PolarHBondContact O-N 3.05Å; V215-F218 PolarHBondContact O-N 3.21Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.24Å; F218-C220 VanDerWaalsContact C-N 3.3Å; F218-C220 PolarHBondContact O-N 2.85Å; F218-Q221 PolarHBondContact O-N 3.17Å; F218-K222 HydrophobicContact CE1-CD 4.49Å; F218-K222 HydrophobicContact CZ-CD 4.27Å; F218-K222 VanDerWaalsContact O-CB 3.28Å; F218-K222 WeakPolarHBondContact O-CB 3.34Å; F218-K222 PolarHBondContact O-N 2.91Å
219L94.7Very high95.2Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-63.3-40.3178.6-66.8179.9000111.3L115 V151 V154 L158 V215 F223L115-L219 HydrophobicContact CD2-CD1 3.44Å; L115-L219 VanDerWaalsContact CD2-CD1 3.44Å; L115-L219 HydrophobicContact CD2-CD2 3.61Å; L115-L219 HydrophobicContact CD2-CG 4.18Å; V151-L219 HydrophobicContact CG1-CD1 4.28Å; V154-L219 HydrophobicContact CG1-CD1 4.29Å; L158-L219 HydrophobicContact CD1-CB 4.08Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.1Å; V215-L219 WeakPolarHBondContact O-CB 3.39Å; V215-L219 VanDerWaalsContact O-CG 3.29Å; V215-L219 WeakPolarHBondContact O-CG 3.35Å; V215-L219 PolarHBondContact O-N 3.48Å; L219-F223 VanDerWaalsContact O-CB 3.26Å; L219-F223 WeakPolarHBondContact O-CB 3.34Å; L219-F223 PolarHBondContact O-N 3.1Å
220C94.6Very high95.3Very high0 Ų050.5 Ų50.50%026%0.26CS..Hα-helixtrans-61.5-55.4176.5-175.40000111.5L216 L217 F218 K222 F223 S224 C232 T235 L236L216-C220 WeakPolarHBondContact O-CB 3.41Å; L216-C220 PolarHBondContact O-N 2.88Å; L217-C220 PolarHBondContact O-N 2.65Å; F218-C220 VanDerWaalsContact C-N 3.3Å; F218-C220 PolarHBondContact O-N 2.85Å; C220-K222 VanDerWaalsContact C-N 3.25Å; C220-K222 PolarHBondContact O-N 3.21Å; C220-F223 PolarHBondContact O-N 3.19Å; C220-S224 WeakPolarHBondContact O-CB 3.15Å; C220-S224 PolarHBondContact O-N 3.16Å; C220-S224 PolarHBondContact O-OG 2.94Å; C220-C232 HydrophobicContact CB-CB 4.38Å; C220-C232 WeakPolarHBondContact SG-CA 2.96Å; C220-C232 PolarHBondContact SG-O 3.38Å; C220-C232 VanDerWaalsContact SG-O 3.36Å; C220-T235 WeakPolarHBondContact SG-CB 3.44Å; C220-T235 WeakPolarHBondContact SG-CG2 3.21Å; C220-L236 HydrophobicContact CB-CD2 4.19Å; C220-L236 HydrophobicContact CB-CG 4.46Å
221Q93.5Very high95.3Very high107 Ų10751 Ų5150%0.526%0.255SS..Hα-helixtrans-51.9-47.6178178.8172.618.300111.3L217 F218 H225 A226L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.49Å; L217-Q221 PolarHBondContact O-N 3.21Å; F218-Q221 PolarHBondContact O-N 3.17Å; Q221-H225 WeakPolarHBondContact O-CA 3.18Å; Q221-H225 PolarHBondContact O-N 3.24Å; Q221-H225 VanDerWaalsContact O-N 3.08Å; Q221-A226 WeakPolarHBondContact CG-O 3.4Å; Q221-A226 PolarHBondContact O-N 2.98Å
222K90.9Very high95.3Very high43 Ų4351.2 Ų51.219%0.18726%0.256CS..Hα-helixtrans-67.3-50.2-177.2177177.5170.5173.80113.1C116 M117 E121 F218 C220C116-K222 WeakPolarHBondContact O-CE 3.15Å; C116-K222 PolarHBondContact O-NZ 2.9Å; M117-K222 PolarHBondContact SD-NZ 3.35Å; E121-K222 WeakPolarHBondContact OE1-CE 3.12Å; E121-K222 IonicContact OE1-NZ 2.89Å; E121-K222 IonicContact OE2-NZ 3.28Å; E121-K222 PolarHBondContact OE2-NZ 3.43Å; F218-K222 HydrophobicContact CE1-CD 4.49Å; F218-K222 HydrophobicContact CZ-CD 4.27Å; F218-K222 VanDerWaalsContact O-CB 3.28Å; F218-K222 WeakPolarHBondContact O-CB 3.34Å; F218-K222 PolarHBondContact O-N 2.91Å; C220-K222 VanDerWaalsContact C-N 3.25Å; C220-K222 PolarHBondContact O-N 3.21Å
223F94.3Very high95.3Very high44 Ų4452.5 Ų52.519%0.19326%0.263CS..Hα-helixtrans-85.6-24.8-168.7-167-125.9000113.1P114 L158 L162 I163 L219 C220P114-F223 HydrophobicContact CB-CB 4.29Å; P114-F223 HydrophobicContact CB-CD1 3.77Å; P114-F223 HydrophobicContact CB-CD2 4.36Å; P114-F223 HydrophobicContact CB-CE1 4.19Å; P114-F223 HydrophobicContact CB-CG 3.9Å; P114-F223 HydrophobicContact CG-CD1 3.7Å; P114-F223 HydrophobicContact CG-CE1 3.6Å; P114-F223 HydrophobicContact CG-CE2 4.45Å; P114-F223 HydrophobicContact CG-CG 4.22Å; P114-F223 HydrophobicContact CG-CZ 3.99Å; L158-F223 HydrophobicContact CB-CD1 4.04Å; L158-F223 HydrophobicContact CB-CE1 4.39Å; L162-F223 HydrophobicContact CB-CD1 4.42Å; L162-F223 HydrophobicContact CB-CE1 4.09Å; L162-F223 HydrophobicContact CD1-CD1 3.68Å; L162-F223 HydrophobicContact CD1-CE1 4.2Å; L162-F223 HydrophobicContact CD1-CG 4.45Å; I163-F223 HydrophobicContact CD1-CZ 4.43Å; I163-F223 HydrophobicContact CG2-CE1 4.44Å; I163-F223 HydrophobicContact CG2-CZ 3.85Å; L219-F223 VanDerWaalsContact O-CB 3.26Å; L219-F223 WeakPolarHBondContact O-CB 3.34Å; L219-F223 PolarHBondContact O-N 3.1Å; C220-F223 PolarHBondContact O-N 3.19Å
224S94Very high95.3Very high32 Ų3256.2 Ų56.222%0.22428%0.28CS..Hα-helixtrans-96.7-10.7174.469.80000114.3C220 A226C220-S224 WeakPolarHBondContact O-CB 3.15Å; C220-S224 PolarHBondContact O-N 3.16Å; C220-S224 PolarHBondContact O-OG 2.94Å; S224-A226 PolarHBondContact O-N 3.29Å; S224-A226 WeakPolarHBondContact OG-CB 3.46Å; S224-A226 PolarHBondContact OG-N 3.25Å
225H92.3Very high95.3Very high158 Ų15854.1 Ų54.173%0.73127%0.271SS*.  trans60.323.3-168.4-51.8-67.5000114.5Q221 T227Q221-H225 WeakPolarHBondContact O-CA 3.18Å; Q221-H225 PolarHBondContact O-N 3.24Å; Q221-H225 VanDerWaalsContact O-N 3.08Å; H225-T227 PolarHBondContact O-N 3.28Å
226A94.2Very high95.3Very high8 Ų854 Ų547%0.06627%0.271CS..  trans-54.8135172.700000110.9Q221 S224 E231 C232Q221-A226 WeakPolarHBondContact CG-O 3.4Å; Q221-A226 PolarHBondContact O-N 2.98Å; S224-A226 PolarHBondContact O-N 3.29Å; S224-A226 WeakPolarHBondContact OG-CB 3.46Å; S224-A226 PolarHBondContact OG-N 3.25Å; A226-E231 HydrophobicContact CB-CB 3.65Å; A226-C232 VanDerWaalsContact CB-SG 3.6Å
227T94.1Very high95.4Very high116 Ų11659.1 Ų59.171%0.71229%0.294SS*.  trans-104.4-13.3-174.262.70000112.9H225 E231H225-T227 PolarHBondContact O-N 3.28Å; T227-E231 PolarHBondContact N-OE2 2.96Å; T227-E231 PolarHBondContact OG1-OE2 3.44Å
228S95.7Very high95.4Very high47 Ų4764.6 Ų64.633%0.32932%0.317SS..SBendtrans-135162.7-179.368.60000111.4D230 E231 C232S228-D230 VanDerWaalsContact C-N 3.28Å; S228-D230 PolarHBondContact O-N 2.86Å; S228-E231 PolarHBondContact O-N 2.71Å; S228-E231 WeakPolarHBondContact OG-CG 3.45Å; S228-E231 PolarHBondContact OG-N 3.03Å; S228-C232 PolarHBondContact O-N 3.46Å; S228-C232 VanDerWaalsContact O-N 3.13Å
229Y95.7Very high95.6Very high138 Ų13863.1 Ų63.154%0.54131%0.313SS..Hα-helixtrans-57.6-43.1173-179.3-98.3000111.4L217 E231 C232 I233L217-Y229 HydrophobicContact CD1-CD2 4.24Å; L217-Y229 HydrophobicContact CD1-CE2 3.86Å; L217-Y229 HydrophobicContact CD2-CD2 4.12Å; L217-Y229 HydrophobicContact CD2-CE2 3.87Å; Y229-E231 PolarHBondContact O-N 3.34Å; Y229-C232 WeakPolarHBondContact O-CA 3.42Å; Y229-C232 WeakPolarHBondContact O-CB 3.28Å; Y229-C232 PolarHBondContact O-N 2.98Å; Y229-C232 VanDerWaalsContact O-N 3.1Å; Y229-I233 HydrophobicContact CD1-CG1 3.97Å; Y229-I233 HydrophobicContact CE1-CD1 4.01Å; Y229-I233 HydrophobicContact CE1-CG1 3.59Å; Y229-I233 HydrophobicContact CE2-CD1 4.21Å; Y229-I233 HydrophobicContact CE2-CG1 4.46Å; Y229-I233 WeakPolarHBondContact O-CG1 3.45Å; Y229-I233 PolarHBondContact O-N 3.15Å
230D97.2Very high95.6Very high108 Ų10865.8 Ų65.858%0.57834%0.34SS*.Hα-helixtrans-63.1-40.4-179.4-65.1-25.9000112.3S228 C232 I233 Q234S228-D230 VanDerWaalsContact C-N 3.28Å; S228-D230 PolarHBondContact O-N 2.86Å; D230-C232 VanDerWaalsContact C-N 3.32Å; D230-C232 PolarHBondContact O-N 3.04Å; D230-I233 PolarHBondContact O-N 3.42Å; D230-Q234 WeakPolarHBondContact O-CG 3.46Å; D230-Q234 PolarHBondContact O-N 3.38Å
231E97.5Very high95.8Very high75 Ų7566.2 Ų66.235%0.3534%0.342SS..Hα-helixtrans-64.7-36.1174.3-75.1177-179.300112.1A226 T227 S228 Y229 T235A226-E231 HydrophobicContact CB-CB 3.65Å; T227-E231 PolarHBondContact N-OE2 2.96Å; T227-E231 PolarHBondContact OG1-OE2 3.44Å; S228-E231 PolarHBondContact O-N 2.71Å; S228-E231 WeakPolarHBondContact OG-CG 3.45Å; S228-E231 PolarHBondContact OG-N 3.03Å; Y229-E231 PolarHBondContact O-N 3.34Å; E231-T235 WeakPolarHBondContact O-CB 3.15Å; E231-T235 PolarHBondContact O-N 3.44Å; E231-T235 PolarHBondContact O-OG1 2.63Å
232C97Very high95.9Very high6 Ų663.3 Ų63.34%0.04133%0.33CS..Hα-helixtrans-62.5-47.7172.1-73.70000111.1L217 C220 A226 S228 Y229 D230 Q234 T235 L236L217-C232 HydrophobicContact CD2-CB 4.04Å; C220-C232 HydrophobicContact CB-CB 4.38Å; C220-C232 WeakPolarHBondContact SG-CA 2.96Å; C220-C232 PolarHBondContact SG-O 3.38Å; C220-C232 VanDerWaalsContact SG-O 3.36Å; A226-C232 VanDerWaalsContact CB-SG 3.6Å; S228-C232 PolarHBondContact O-N 3.46Å; S228-C232 VanDerWaalsContact O-N 3.13Å; Y229-C232 WeakPolarHBondContact O-CA 3.42Å; Y229-C232 WeakPolarHBondContact O-CB 3.28Å; Y229-C232 PolarHBondContact O-N 2.98Å; Y229-C232 VanDerWaalsContact O-N 3.1Å; D230-C232 VanDerWaalsContact C-N 3.32Å; D230-C232 PolarHBondContact O-N 3.04Å; C232-Q234 PolarHBondContact O-N 3.01Å; C232-T235 WeakPolarHBondContact O-CB 3.17Å; C232-T235 PolarHBondContact O-N 2.82Å; C232-L236 WeakPolarHBondContact O-CG 3.49Å; C232-L236 PolarHBondContact O-N 2.88Å
233I97.4Very high96.2Very high27 Ų2763.7 Ų63.714%0.13834%0.336CS..Hα-helixtrans-60.8-44.1178.9-62.4-52.5000111.6L217 Y229 D230 T235 L236 Q237 L245L217-I233 HydrophobicContact CD2-CD1 4.35Å; Y229-I233 HydrophobicContact CD1-CG1 3.97Å; Y229-I233 HydrophobicContact CE1-CD1 4.01Å; Y229-I233 HydrophobicContact CE1-CG1 3.59Å; Y229-I233 HydrophobicContact CE2-CD1 4.21Å; Y229-I233 HydrophobicContact CE2-CG1 4.46Å; Y229-I233 WeakPolarHBondContact O-CG1 3.45Å; Y229-I233 PolarHBondContact O-N 3.15Å; D230-I233 PolarHBondContact O-N 3.42Å; I233-T235 VanDerWaalsContact C-N 3.29Å; I233-T235 PolarHBondContact O-N 2.89Å; I233-L236 HydrophobicContact CD1-CD1 4.32Å; I233-L236 PolarHBondContact O-N 3.45Å; I233-Q237 HydrophobicContact CG2-CG 4.42Å; I233-Q237 WeakPolarHBondContact O-CB 3.22Å; I233-Q237 VanDerWaalsContact O-CG 3.32Å; I233-Q237 WeakPolarHBondContact O-CG 3.4Å; I233-Q237 PolarHBondContact O-N 3.26Å; I233-L245 HydrophobicContact CD1-CD1 3.46Å; I233-L245 VanDerWaalsContact CD1-CD1 3.46Å
234Q97.6Very high96.4Very high121 Ų12162.4 Ų62.457%0.56533%0.331SS*.Hα-helixtrans-59.9-39.9176.3-72.117417.100112.1D230 C232 Q237 K238D230-Q234 WeakPolarHBondContact O-CG 3.46Å; D230-Q234 PolarHBondContact O-N 3.38Å; C232-Q234 PolarHBondContact O-N 3.01Å; Q234-Q237 PolarHBondContact O-N 2.94Å; Q234-K238 WeakPolarHBondContact O-CB 3.42Å; Q234-K238 PolarHBondContact O-N 3.12Å
235T97.4Very high96.5Very high22 Ų2262.8 Ų62.814%0.13533%0.33CS..Hα-helixtrans-67.2-44.3176.8-630000111.7L158 L162 C220 E231 C232 I233 Q237 K238 A239L158-T235 HydrophobicContact CD2-CG2 4.29Å; L162-T235 HydrophobicContact CD1-CG2 4.21Å; L162-T235 HydrophobicContact CD2-CG2 4.21Å; C220-T235 WeakPolarHBondContact SG-CB 3.44Å; C220-T235 WeakPolarHBondContact SG-CG2 3.21Å; E231-T235 WeakPolarHBondContact O-CB 3.15Å; E231-T235 PolarHBondContact O-N 3.44Å; E231-T235 PolarHBondContact O-OG1 2.63Å; C232-T235 WeakPolarHBondContact O-CB 3.17Å; C232-T235 PolarHBondContact O-N 2.82Å; I233-T235 VanDerWaalsContact C-N 3.29Å; I233-T235 PolarHBondContact O-N 2.89Å; T235-Q237 VanDerWaalsContact C-N 3.29Å; T235-Q237 PolarHBondContact O-N 3.23Å; T235-K238 PolarHBondContact O-N 2.92Å; T235-A239 WeakPolarHBondContact O-CB 3.5Å; T235-A239 PolarHBondContact O-N 3.1Å
236L97.7Very high96.8Very high0 Ų060.6 Ų60.60%032%0.321CS..Hα-helixtrans-61.3-38.5175.5-66.9176.2000111.7L217 C220 C232 I233 A239 G240 I241 N242 L245L217-L236 HydrophobicContact CD2-CD1 4.4Å; C220-L236 HydrophobicContact CB-CD2 4.19Å; C220-L236 HydrophobicContact CB-CG 4.46Å; C232-L236 WeakPolarHBondContact O-CG 3.49Å; C232-L236 PolarHBondContact O-N 2.88Å; I233-L236 HydrophobicContact CD1-CD1 4.32Å; I233-L236 PolarHBondContact O-N 3.45Å; L236-A239 CarbonylContact O-C 3.45Å; L236-A239 PolarHBondContact O-N 3.06Å; L236-G240 PolarHBondContact O-N 3.43Å; L236-I241 HydrophobicContact CB-CG1 4.33Å; L236-I241 HydrophobicContact CD2-CD1 3.57Å; L236-I241 HydrophobicContact CD2-CG1 3.82Å; L236-I241 PolarHBondContact O-N 3.39Å; L236-N242 HydrophobicContact CB-CB 3.93Å; L236-N242 PolarHBondContact O-N 3.12Å; L236-L245 HydrophobicContact CD1-CD1 4.31Å; L236-L245 HydrophobicContact CD1-CD2 4.4Å
237Q97.5Very high96.7Very high106 Ų10663.8 Ų63.850%0.49533%0.333SS..Hα-helixtrans-63.9-47.2174.6-75.8172.9-11.400111.3I233 Q234 T235 A239 G240 N242I233-Q237 HydrophobicContact CG2-CG 4.42Å; I233-Q237 WeakPolarHBondContact O-CB 3.22Å; I233-Q237 VanDerWaalsContact O-CG 3.32Å; I233-Q237 WeakPolarHBondContact O-CG 3.4Å; I233-Q237 PolarHBondContact O-N 3.26Å; Q234-Q237 PolarHBondContact O-N 2.94Å; T235-Q237 VanDerWaalsContact C-N 3.29Å; T235-Q237 PolarHBondContact O-N 3.23Å; Q237-A239 VanDerWaalsContact C-N 3.25Å; Q237-A239 PolarHBondContact O-N 2.85Å; Q237-G240 PolarHBondContact O-N 3.46Å; Q237-N242 HydrophobicContact CB-CB 4.44Å; Q237-N242 HydrophobicContact CG-CB 3.69Å; Q237-N242 VanDerWaalsContact CG-CG 3.49Å
238K96.8Very high96.6Very high154 Ų15464.3 Ų64.367%0.6733%0.331SS*.Hα-helixtrans-60.7-36.2176.6-169.1-174171.4-176.30112.2Q234 T235 G240Q234-K238 WeakPolarHBondContact O-CB 3.42Å; Q234-K238 PolarHBondContact O-N 3.12Å; T235-K238 PolarHBondContact O-N 2.92Å; K238-G240 VanDerWaalsContact C-N 3.29Å
239A97Very high96.5Very high13 Ų1365.9 Ų65.911%0.10733%0.333CS..THydrogen-bonded Turntrans-80.5-4.4175.900000113.9L158 C161 T235 L236 Q237 I241L158-A239 HydrophobicContact CD2-CB 4.12Å; C161-A239 HydrophobicContact CB-CB 3.79Å; T235-A239 WeakPolarHBondContact O-CB 3.5Å; T235-A239 PolarHBondContact O-N 3.1Å; L236-A239 CarbonylContact O-C 3.45Å; L236-A239 PolarHBondContact O-N 3.06Å; Q237-A239 VanDerWaalsContact C-N 3.25Å; Q237-A239 PolarHBondContact O-N 2.85Å; A239-I241 HydrophobicContact CB-CD1 4.19Å; A239-I241 HydrophobicContact CB-CG1 3.88Å
240G96.2Very high96.5Very high56 Ų5659.3 Ų59.358%0.57731%0.308SS*.THydrogen-bonded Turntrans71.425.517800000114.8L236 Q237 K238L236-G240 PolarHBondContact O-N 3.43Å; Q237-G240 PolarHBondContact O-N 3.46Å; K238-G240 VanDerWaalsContact C-N 3.29Å
241I97Very high96.4Very high10 Ų1054.3 Ų54.35%0.05128%0.281CS..  trans-125.45.2-174.554.6167.8000113.7V154 C157 L158 L236 A239 T243 L244V154-I241 HydrophobicContact CG1-CD1 3.87Å; C157-I241 HydrophobicContact CB-CD1 4.39Å; C157-I241 HydrophobicContact CB-CG2 3.65Å; C157-I241 VanDerWaalsContact SG-CG2 3.6Å; L158-I241 HydrophobicContact CD2-CD1 4.22Å; L158-I241 HydrophobicContact CG-CD1 4.25Å; L236-I241 HydrophobicContact CB-CG1 4.33Å; L236-I241 HydrophobicContact CD2-CD1 3.57Å; L236-I241 HydrophobicContact CD2-CG1 3.82Å; L236-I241 PolarHBondContact O-N 3.39Å; A239-I241 HydrophobicContact CB-CD1 4.19Å; A239-I241 HydrophobicContact CB-CG1 3.88Å; I241-T243 PolarHBondContact O-N 2.99Å; I241-L244 HydrophobicContact CB-CD1 4.12Å; I241-L244 HydrophobicContact CG2-CD1 4.37Å; I241-L244 WeakPolarHBondContact O-CB 3.25Å; I241-L244 PolarHBondContact O-N 3.28Å
242N97.2Very high96.2Very high45 Ų4552.3 Ų52.324%0.24128%0.275CS..G310 helixtrans-63.2-27.1177.567-69.7000113.3L236 Q237 L244 L245L236-N242 HydrophobicContact CB-CB 3.93Å; L236-N242 PolarHBondContact O-N 3.12Å; Q237-N242 HydrophobicContact CB-CB 4.44Å; Q237-N242 HydrophobicContact CG-CB 3.69Å; Q237-N242 VanDerWaalsContact CG-CG 3.49Å; N242-L244 PolarHBondContact O-N 3.31Å; N242-L245 VanDerWaalsContact O-CB 3.31Å; N242-L245 WeakPolarHBondContact O-CB 3.48Å; N242-L245 WeakPolarHBondContact O-CD1 3.49Å; N242-L245 WeakPolarHBondContact O-CG 3.49Å; N242-L245 PolarHBondContact O-N 2.64Å; N242-L245 VanDerWaalsContact O-N 3.15Å
243T97.1Very high96.1Very high52 Ų5252.8 Ų52.832%0.31928%0.28SS..G310 helixtrans-63.1-24.4177.851.10000112.1I241 L245 E246 H249I241-T243 PolarHBondContact O-N 2.99Å; T243-L245 PolarHBondContact O-N 2.89Å; T243-E246 WeakPolarHBondContact O-CB 3.3Å; T243-E246 PolarHBondContact O-N 3.16Å; T243-H249 WeakPolarHBondContact O-CB 3.44Å
244L97.4Very high95.9Very high16 Ų1651.7 Ų51.78%0.08427%0.274CS..G310 helixtrans-64.5-10.2175.8-61.7176.7000113.8V154 H209 F212 L216 I241 N242 E246 A253V154-L244 HydrophobicContact CG2-CD1 3.84Å; H209-L244 PolarHBondContact NE2-O 2.95Å; F212-L244 HydrophobicContact CE1-CB 4.2Å; F212-L244 HydrophobicContact CE1-CD1 4.17Å; F212-L244 HydrophobicContact CZ-CD1 4.35Å; L216-L244 HydrophobicContact CD1-CB 3.94Å; I241-L244 HydrophobicContact CB-CD1 4.12Å; I241-L244 HydrophobicContact CG2-CD1 4.37Å; I241-L244 WeakPolarHBondContact O-CB 3.25Å; I241-L244 PolarHBondContact O-N 3.28Å; N242-L244 PolarHBondContact O-N 3.31Å; L244-E246 PolarHBondContact O-N 3.03Å; L244-A253 HydrophobicContact CD2-CB 3.64Å
245L97.1Very high95.7Very high40 Ų4046 Ų4621%0.20925%0.248CC..G310 helixtrans-69.1-19.7169.4-60.8172.1000112H209 I213 L216 I233 L236 N242 T243H209-L245 PolarHBondContact CE1-O 3.46Å; I213-L245 HydrophobicContact CG1-CD2 4.14Å; I213-L245 HydrophobicContact CG2-CD2 3.91Å; L216-L245 HydrophobicContact CD1-CD2 4.02Å; I233-L245 HydrophobicContact CD1-CD1 3.46Å; I233-L245 VanDerWaalsContact CD1-CD1 3.46Å; L236-L245 HydrophobicContact CD1-CD1 4.31Å; L236-L245 HydrophobicContact CD1-CD2 4.4Å; N242-L245 VanDerWaalsContact O-CB 3.31Å; N242-L245 WeakPolarHBondContact O-CB 3.48Å; N242-L245 WeakPolarHBondContact O-CD1 3.49Å; N242-L245 WeakPolarHBondContact O-CG 3.49Å; N242-L245 PolarHBondContact O-N 2.64Å; N242-L245 VanDerWaalsContact O-N 3.15Å; T243-L245 PolarHBondContact O-N 2.89Å
246E97Very high95.5Very high113 Ų11346 Ų4653%0.52825%0.247SC..SBendtrans-97135.9177.7-59.7173.6-15500110.3T243 L244 D248 H249 F250T243-E246 WeakPolarHBondContact O-CB 3.3Å; T243-E246 PolarHBondContact O-N 3.16Å; L244-E246 PolarHBondContact O-N 3.03Å; E246-D248 VanDerWaalsContact C-N 3.34Å; E246-D248 PolarHBondContact O-N 3Å; E246-H249 PolarHBondContact O-N 2.93Å; E246-H249 IonicContact OE2-CD2 3.69Å; E246-H249 PolarHBondContact OE2-CD2 3.47Å; E246-H249 IonicContact OE2-NE2 2.82Å; E246-F250 PolarHBondContact O-N 3Å
247K92.9Very high95.4Very high74 Ų7446.5 Ų46.532%0.32225%0.25SC..Hα-helixtrans-57.9-43.1-172-172.1-179.2-179.8-176.10112.5E206 H209 H249 F250 T251E206-K247 HydrophobicContact CG-CD 4.44Å; E206-K247 VanDerWaalsContact CG-NZ 3.25Å; E206-K247 IonicContact OE1-NZ 3.93Å; E206-K247 PolarHBondContact OE1-NZ 3.09Å; H209-K247 VanDerWaalsContact CE1-CA 3.47Å; H209-K247 WeakPolarHBondContact CE1-CA 3.47Å; H209-K247 PolarHBondContact CE1-N 2.84Å; H209-K247 VanDerWaalsContact CE1-N 3.34Å; K247-H249 PolarHBondContact O-N 2.98Å; K247-F250 WeakPolarHBondContact O-CB 3.32Å; K247-F250 PolarHBondContact O-N 3.06Å; K247-T251 PolarHBondContact O-N 2.89Å; K247-T251 PolarHBondContact O-OG1 3.37Å; K247-T251 VanDerWaalsContact O-OG1 3.08Å
248D92.1Very high95.1Very high127 Ų12744.2 Ų44.268%0.67925%0.245SC*.Hα-helixtrans-65.1-39.7-176.7-66.2-16.4000112.4E246 T251 S252E246-D248 VanDerWaalsContact C-N 3.34Å; E246-D248 PolarHBondContact O-N 3Å; D248-T251 PolarHBondContact O-N 3.33Å; D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.37Å; D248-S252 PolarHBondContact O-OG 3.49Å
249H94.2Very high94.8Very high80 Ų8038.9 Ų38.937%0.3722%0.221SC..Hα-helixtrans-70.7-38.5175.4-73.2-59.6000111.7T243 E246 K247 S252 A253T243-H249 WeakPolarHBondContact O-CB 3.44Å; E246-H249 PolarHBondContact O-N 2.93Å; E246-H249 IonicContact OE2-CD2 3.69Å; E246-H249 PolarHBondContact OE2-CD2 3.47Å; E246-H249 IonicContact OE2-NE2 2.82Å; K247-H249 PolarHBondContact O-N 2.98Å; H249-S252 PolarHBondContact O-N 2.71Å; H249-A253 PolarHBondContact O-N 3.25Å
250F95.7Very high94.6Very high0 Ų039.1 Ų39.10%022%0.22CC..Hα-helixtrans-60.6-46.9171.9174.1-107.4000111.8I147 L150 I205 I208 H209 F212 E246 K247 S252 A253 L254I147-F250 HydrophobicContact CD1-CE2 4.03Å; I147-F250 HydrophobicContact CD1-CZ 3.95Å; L150-F250 HydrophobicContact CD2-CD2 4Å; L150-F250 HydrophobicContact CD2-CE2 3.73Å; I205-F250 HydrophobicContact CG2-CE1 4.44Å; I208-F250 HydrophobicContact CG2-CE1 4.39Å; I208-F250 HydrophobicContact CG2-CZ 3.9Å; H209-F250 HydrophobicContact CB-CD1 3.68Å; H209-F250 HydrophobicContact CB-CE1 3.7Å; H209-F250 HydrophobicContact CB-CG 4.36Å; H209-F250 HydrophobicContact CB-CZ 4.42Å; H209-F250 AromaticContact CD2-CD1 3.57Å; H209-F250 AromaticContact CD2-CD2 3.78Å; H209-F250 AromaticContact CD2-CG 3.33Å; H209-F250 WeakPolarHBondContact CD2-CG 3.42Å; H209-F250 AromaticContact CG-CD1 3.7Å; H209-F250 AromaticContact CG-CG 3.95Å; H209-F250 AromaticContact NE2-CG 3.93Å; F212-F250 HydrophobicContact CB-CE2 3.92Å; F212-F250 HydrophobicContact CB-CZ 4.29Å; F212-F250 AromaticContact CD1-CD2 3.64Å; F212-F250 HydrophobicContact CD1-CD2 3.64Å; F212-F250 AromaticContact CD1-CE2 3.55Å; F212-F250 HydrophobicContact CD1-CE2 3.55Å; F212-F250 HydrophobicContact CD2-CE2 4.03Å; F212-F250 AromaticContact CE1-CD2 3.91Å; F212-F250 HydrophobicContact CE1-CD2 3.91Å; F212-F250 AromaticContact CE1-CE2 4Å; F212-F250 HydrophobicContact CE1-CE2 4Å; F212-F250 HydrophobicContact CE2-CE2 4.44Å; F212-F250 HydrophobicContact CG-CD2 4.15Å; F212-F250 AromaticContact CG-CE2 3.56Å; F212-F250 HydrophobicContact CG-CE2 3.56Å; F212-F250 HydrophobicContact CG-CZ 4.37Å; F212-F250 HydrophobicContact CZ-CE2 4.42Å; E246-F250 PolarHBondContact O-N 3Å; K247-F250 WeakPolarHBondContact O-CB 3.32Å; K247-F250 PolarHBondContact O-N 3.06Å; F250-S252 VanDerWaalsContact C-N 3.31Å; F250-S252 PolarHBondContact O-N 2.82Å; F250-A253 WeakPolarHBondContact O-CB 3.49Å; F250-A253 PolarHBondContact O-N 2.93Å; F250-A253 VanDerWaalsContact O-N 3.12Å; F250-L254 HydrophobicContact CD1-CD1 4.06Å; F250-L254 HydrophobicContact CE1-CD1 3.41Å; F250-L254 VanDerWaalsContact CE1-CD1 3.41Å; F250-L254 HydrophobicContact CE1-CG 4.07Å; F250-L254 HydrophobicContact CE2-CD1 4.44Å; F250-L254 HydrophobicContact CE2-CD2 4.42Å; F250-L254 HydrophobicContact CE2-CG 4.29Å; F250-L254 HydrophobicContact CZ-CD1 3.63Å; F250-L254 HydrophobicContact CZ-CD2 4.14Å; F250-L254 HydrophobicContact CZ-CG 3.94Å; F250-L254 PolarHBondContact O-N 3.34Å
251T93.5Very high94.6Very high4 Ų437.6 Ų37.63%0.02520%0.204CC..Hα-helixtrans-66.3-34.1177.8-53.80000112.5T182 I196 L197 K247 D248 A253 L254 C255T182-T251 HydrophobicContact CG2-CG2 4.22Å; I196-T251 HydrophobicContact CG2-CG2 3.75Å; L197-T251 HydrophobicContact CD2-CG2 3.42Å; L197-T251 VanDerWaalsContact CD2-CG2 3.42Å; L197-T251 HydrophobicContact CG-CG2 4.04Å; K247-T251 PolarHBondContact O-N 2.89Å; K247-T251 PolarHBondContact O-OG1 3.37Å; K247-T251 VanDerWaalsContact O-OG1 3.08Å; D248-T251 PolarHBondContact O-N 3.33Å; T251-A253 VanDerWaalsContact C-N 3.32Å; T251-L254 PolarHBondContact O-N 3.32Å; T251-C255 WeakPolarHBondContact O-CB 3.46Å; T251-C255 PolarHBondContact O-N 3.07Å
252S93.8Very high94.5Very high32 Ų3239.2 Ų39.222%0.22421%0.212CC..Hα-helixtrans-63.1-39.5171.7-580000111.9D248 H249 F250 C255 L256D248-S252 WeakPolarHBondContact O-CB 3.48Å; D248-S252 PolarHBondContact O-N 3.37Å; D248-S252 PolarHBondContact O-OG 3.49Å; H249-S252 PolarHBondContact O-N 2.71Å; F250-S252 VanDerWaalsContact C-N 3.31Å; F250-S252 PolarHBondContact O-N 2.82Å; S252-C255 PolarHBondContact O-N 3.18Å; S252-L256 PolarHBondContact O-N 3.44Å
253A95.4Very high94.3Very high17 Ų1739 Ų3914%0.1422%0.22CC..Hα-helixtrans-68.7-37.9175.300000112.6L150 L244 H249 F250 T251 L256 I257L150-A253 HydrophobicContact CD1-CB 3.84Å; L150-A253 HydrophobicContact CD2-CB 4.08Å; L244-A253 HydrophobicContact CD2-CB 3.64Å; H249-A253 PolarHBondContact O-N 3.25Å; F250-A253 WeakPolarHBondContact O-CB 3.49Å; F250-A253 PolarHBondContact O-N 2.93Å; F250-A253 VanDerWaalsContact O-N 3.12Å; T251-A253 VanDerWaalsContact C-N 3.32Å; A253-L256 WeakPolarHBondContact O-CB 3.41Å; A253-L256 PolarHBondContact O-N 2.97Å; A253-I257 PolarHBondContact O-N 3.41Å; A253-I257 VanDerWaalsContact O-N 3.16Å
254L93.4Very high94.3Very high4 Ų436.7 Ų36.72%0.02121%0.206CC..Hα-helixtrans-61.9-44.6170.6-71.6-177.9000111.5I147 L150 I196 F250 T251 L256 I257 S258I147-L254 HydrophobicContact CD1-CD2 3.57Å; L150-L254 HydrophobicContact CD2-CD2 4.1Å; I196-L254 HydrophobicContact CD1-CB 3.47Å; I196-L254 VanDerWaalsContact CD1-CB 3.47Å; I196-L254 HydrophobicContact CD1-CD1 3.61Å; I196-L254 HydrophobicContact CD1-CG 4.15Å; F250-L254 HydrophobicContact CD1-CD1 4.06Å; F250-L254 HydrophobicContact CE1-CD1 3.41Å; F250-L254 VanDerWaalsContact CE1-CD1 3.41Å; F250-L254 HydrophobicContact CE1-CG 4.07Å; F250-L254 HydrophobicContact CE2-CD1 4.44Å; F250-L254 HydrophobicContact CE2-CD2 4.42Å; F250-L254 HydrophobicContact CE2-CG 4.29Å; F250-L254 HydrophobicContact CZ-CD1 3.63Å; F250-L254 HydrophobicContact CZ-CD2 4.14Å; F250-L254 HydrophobicContact CZ-CG 3.94Å; F250-L254 PolarHBondContact O-N 3.34Å; T251-L254 PolarHBondContact O-N 3.32Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 3.09Å; L254-I257 HydrophobicContact CD2-CD1 4.08Å; L254-I257 WeakPolarHBondContact O-CG1 3.44Å; L254-I257 PolarHBondContact O-N 3.43Å; L254-S258 WeakPolarHBondContact O-CB 3.49Å; L254-S258 PolarHBondContact O-N 2.89Å; L254-S258 PolarHBondContact O-OG 3.36Å; L254-S258 VanDerWaalsContact O-OG 3.04Å
255C92.7Very high94.1Very high0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-61.1-38.4176.8-165.40000111.9S181 T182 T251 S252 S258 R259S181-C255 PolarHBondContact O-SG 3.45Å; T182-C255 HydrophobicContact CG2-CB 4Å; T251-C255 WeakPolarHBondContact O-CB 3.46Å; T251-C255 PolarHBondContact O-N 3.07Å; S252-C255 PolarHBondContact O-N 3.18Å; C255-S258 PolarHBondContact O-N 2.89Å; C255-R259 VanDerWaalsContact O-CB 3.3Å; C255-R259 WeakPolarHBondContact O-CB 3.46Å; C255-R259 VanDerWaalsContact O-CG 3.32Å; C255-R259 WeakPolarHBondContact O-CG 3.39Å; C255-R259 PolarHBondContact O-N 3.48Å; C255-R259 WeakPolarHBondContact SG-CD 3.16Å
256L94.5Very high94Very high23 Ų2336 Ų3612%0.1221%0.207CC..Hα-helixtrans-57-52.6172.6-178157.4000111.4L175 F178 V179 S252 A253 L254 S258 N260 L317L175-L256 HydrophobicContact CD2-CD2 4.4Å; F178-L256 HydrophobicContact CB-CD1 3.84Å; F178-L256 HydrophobicContact CB-CD2 4.31Å; F178-L256 HydrophobicContact CB-CG 3.9Å; V179-L256 WeakPolarHBondContact O-CA 3.39Å; S252-L256 PolarHBondContact O-N 3.44Å; A253-L256 WeakPolarHBondContact O-CB 3.41Å; A253-L256 PolarHBondContact O-N 2.97Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 3.09Å; L256-S258 VanDerWaalsContact C-N 3.34Å; L256-S258 PolarHBondContact O-N 3.38Å; L256-N260 WeakPolarHBondContact O-CB 3.31Å; L256-N260 PolarHBondContact O-N 2.78Å; L256-N260 PolarHBondContact O-ND2 3.4Å; L256-L317 HydrophobicContact CD2-CD1 4Å
257I94.4Very high93.9Very high11 Ų1130.6 Ų30.66%0.05618%0.183CC..Hα-helixtrans-69.2-33.2-178.262.4164.3000112.4L149 L150 I153 A253 L254 G261 L317L149-I257 HydrophobicContact CB-CD1 4.39Å; L149-I257 HydrophobicContact CD2-CB 3.93Å; L149-I257 HydrophobicContact CD2-CG2 4.06Å; L149-I257 HydrophobicContact CG-CB 4.48Å; L149-I257 HydrophobicContact CG-CG2 4.15Å; L150-I257 HydrophobicContact CB-CD1 4.12Å; I153-I257 HydrophobicContact CD1-CG2 3.71Å; A253-I257 PolarHBondContact O-N 3.41Å; A253-I257 VanDerWaalsContact O-N 3.16Å; L254-I257 HydrophobicContact CD2-CD1 4.08Å; L254-I257 WeakPolarHBondContact O-CG1 3.44Å; L254-I257 PolarHBondContact O-N 3.43Å; I257-G261 WeakPolarHBondContact O-CA 3.45Å; I257-G261 PolarHBondContact O-N 2.87Å; I257-L317 HydrophobicContact CG2-CD1 4.42Å
258S90.8Very high94Very high58 Ų5827.1 Ų27.141%0.40617%0.167SC..Hα-helixtrans-72.2-39.9179.7-63.70000113L254 C255 L256L254-S258 WeakPolarHBondContact O-CB 3.49Å; L254-S258 PolarHBondContact O-N 2.89Å; L254-S258 PolarHBondContact O-OG 3.36Å; L254-S258 VanDerWaalsContact O-OG 3.04Å; C255-S258 PolarHBondContact O-N 2.89Å; L256-S258 VanDerWaalsContact C-N 3.34Å; L256-S258 PolarHBondContact O-N 3.38Å
259R90.8Very high94.1Very high42 Ų4221 Ų2116%0.15814%0.135CC..Hα-helixtrans-80.2-24-176.7-71.3-178.567.4-1700.7114V179 S181 C255 N381 Y382V179-R259 VanDerWaalsContact CG1-CZ 3.47Å; S181-R259 PolarHBondContact O-NH1 3.33Å; S181-R259 PolarHBondContact OG-NH1 3.21Å; C255-R259 VanDerWaalsContact O-CB 3.3Å; C255-R259 WeakPolarHBondContact O-CB 3.46Å; C255-R259 VanDerWaalsContact O-CG 3.32Å; C255-R259 WeakPolarHBondContact O-CG 3.39Å; C255-R259 PolarHBondContact O-N 3.48Å; C255-R259 WeakPolarHBondContact SG-CD 3.16Å; R259-N381 WeakPolarHBondContact CG-O 3.46Å; R259-Y382 PolarHBondContact NH2-O 3.37Å
260N94Very high94.1Very high18 Ų1818.5 Ų18.510%0.09613%0.126CC..Hα-helixtrans-115.5-2.4-173.2-55-93.5000112.7F178 V179 L256 Q262 L317F178-N260 HydrophobicContact CD1-CB 3.52Å; F178-N260 HydrophobicContact CE1-CB 3.93Å; V179-N260 PolarHBondContact O-ND2 3.04Å; L256-N260 WeakPolarHBondContact O-CB 3.31Å; L256-N260 PolarHBondContact O-N 2.78Å; L256-N260 PolarHBondContact O-ND2 3.4Å; N260-Q262 PolarHBondContact O-N 3.01Å; N260-L317 HydrophobicContact CB-CD2 3.92Å; N260-L317 WeakPolarHBondContact O-CD2 3.45Å
261G95Very high94Very high23 Ų2318.7 Ų18.724%0.23713%0.127CC..EExtended strand (participates in β ladder)trans-69.2126.4177.500000111.4I257I257-G261 WeakPolarHBondContact O-CA 3.45Å; I257-G261 PolarHBondContact O-N 2.87Å
262Q95.2Very high94.2Very high44 Ų4418.5 Ų18.521%0.20613%0.126CC..EExtended strand (participates in β ladder)trans-101.9122.9169172.559.660.500108.5N260 V315 G316 Y318 F336 L343N260-Q262 PolarHBondContact O-N 3.01Å; Q262-V315 WeakPolarHBondContact O-CA 3.47Å; Q262-G316 PolarHBondContact N-O 2.91Å; Q262-G316 PolarHBondContact O-N 2.93Å; Q262-Y318 HydrophobicContact CB-CD2 3.7Å; Q262-Y318 HydrophobicContact CB-CE2 3.73Å; Q262-Y318 HydrophobicContact CG-CD2 4.23Å; Q262-Y318 HydrophobicContact CG-CE2 3.99Å; Q262-F336 HydrophobicContact CG-CE2 4.37Å; Q262-F336 HydrophobicContact CG-CZ 3.93Å; Q262-L343 HydrophobicContact CG-CD2 4.25Å
263G94.5Very high94.3Very high40 Ų4018.2 Ų18.241%0.41212%0.123SC..EExtended strand (participates in β ladder)trans-60.8138.317200000111.1G314 F336G263-G314 CarbonylContact C-O 3.57Å; G263-G314 WeakPolarHBondContact CA-O 3.33Å; G263-F336 WeakPolarHBondContact O-CE2 3.39Å; G263-F336 WeakPolarHBondContact O-CZ 3.29Å
264I95.5Very high94.2Very high5 Ų522.1 Ų22.13%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-123.3129.2180-59.1159000107.2C37 L55 T266 E313 G314 Y318 F336C37-I264 HydrophobicContact CB-CD1 3.63Å; L55-I264 HydrophobicContact CB-CG2 4.39Å; L55-I264 HydrophobicContact CD1-CB 3.78Å; L55-I264 HydrophobicContact CD1-CD1 3.84Å; L55-I264 HydrophobicContact CD1-CG1 4.45Å; L55-I264 HydrophobicContact CD1-CG2 3.65Å; I264-T266 HydrophobicContact CG2-CG2 4.14Å; I264-E313 CarbonylContact O-C 3.53Å; I264-E313 WeakPolarHBondContact O-CA 3.45Å; I264-G314 PolarHBondContact N-O 3.15Å; I264-G314 PolarHBondContact O-N 3.43Å; I264-Y318 HydrophobicContact CD1-CE2 4.39Å; I264-Y318 VanDerWaalsContact CD1-OH 3.25Å; I264-Y318 WeakPolarHBondContact CD1-OH 3.4Å; I264-Y318 HydrophobicContact CG1-CE2 4.47Å; I264-Y318 WeakPolarHBondContact CG1-OH 3.41Å; I264-F336 HydrophobicContact CB-CE1 4.47Å; I264-F336 HydrophobicContact CG1-CE1 4.01Å; I264-F336 HydrophobicContact CG1-CZ 4.06Å; I264-F336 HydrophobicContact CG2-CD1 4.49Å; I264-F336 HydrophobicContact CG2-CE1 4.22Å
265A93.6Very high94.3Very high39 Ų3925.8 Ų25.832%0.32216%0.158SC..EExtended strand (participates in β ladder)trans-128.1128.8172.200000109.2D311 N312A265-D311 HydrophobicContact CB-CB 3.95Å; A265-N312 WeakPolarHBondContact CA-O 3.23Å
266T95.7Very high94.4Very high1 Ų125.8 Ų25.81%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-130.414017669.10000110.5L55 I264 N312 G338L55-T266 HydrophobicContact CB-CG2 4.28Å; L55-T266 WeakPolarHBondContact O-CB 3.45Å; L55-T266 WeakPolarHBondContact O-CG2 3.29Å; L55-T266 PolarHBondContact O-OG1 3.2Å; I264-T266 HydrophobicContact CG2-CG2 4.14Å; T266-N312 PolarHBondContact N-O 2.59Å; T266-N312 PolarHBondContact O-N 3.28Å; T266-N312 PolarHBondContact O-ND2 2.68Å; T266-N312 VanDerWaalsContact O-ND2 3.15Å; T266-N312 WeakPolarHBondContact OG1-CB 3.44Å; T266-G338 WeakPolarHBondContact CA-O 3.37Å; T266-G338 VanDerWaalsContact CB-O 3.29Å; T266-G338 WeakPolarHBondContact CB-O 3.45Å
267S93.9Very high94.4Very high1 Ų125.3 Ų25.31%0.00716%0.16CC..  trans-150.8125.9-178.5160.30000111.9F269 S270 V271 D311 G338S267-F269 PolarHBondContact O-N 3.41Å; S267-F269 PolarHBondContact OG-N 2.88Å; S267-S270 WeakPolarHBondContact CB-OG 3.24Å; S267-S270 PolarHBondContact O-N 3.46Å; S267-S270 PolarHBondContact OG-N 3.09Å; S267-S270 PolarHBondContact OG-OG 3.4Å; S267-V271 VanDerWaalsContact O-CG2 3.29Å; S267-V271 WeakPolarHBondContact O-CG2 3.45Å; S267-V271 PolarHBondContact O-N 2.94Å; S267-D311 WeakPolarHBondContact CB-OD1 3.32Å; S267-G338 PolarHBondContact N-O 3.46Å
268A95.3Very high94.4Very high0 Ų031.8 Ų31.80%019%0.187CC..Hα-helixtrans-62.1-36.4174.500000110.7P57 E59 S61 N64 F83 W272P57-A268 HydrophobicContact CB-CB 4.06Å; E59-A268 WeakPolarHBondContact O-CB 3.18Å; S61-A268 PolarHBondContact OG-O 2.62Å; N64-A268 HydrophobicContact CB-CB 4.05Å; F83-A268 HydrophobicContact CB-CB 4.12Å; F83-A268 HydrophobicContact CD1-CB 3.62Å; F83-A268 HydrophobicContact CE1-CB 4.47Å; F83-A268 HydrophobicContact CG-CB 4.17Å; A268-W272 PolarHBondContact O-N 3Å; A268-W272 VanDerWaalsContact O-N 3.13Å
269F94.9Very high94.5Very high0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-67-46.6175-179.7-118.1000112.2N64 I65 L76 S267 V271 W272 V273 L298 Y299 I302N64-F269 WeakPolarHBondContact OD1-CB 3.35Å; N64-F269 PolarHBondContact OD1-N 3.14Å; I65-F269 HydrophobicContact CB-CD2 4.2Å; I65-F269 HydrophobicContact CD1-CD1 4.23Å; I65-F269 HydrophobicContact CD1-CD2 3.95Å; I65-F269 HydrophobicContact CD1-CE1 4.21Å; I65-F269 HydrophobicContact CD1-CE2 3.95Å; I65-F269 HydrophobicContact CD1-CG 4.1Å; I65-F269 HydrophobicContact CD1-CZ 4.08Å; I65-F269 HydrophobicContact CG1-CD2 4.25Å; I65-F269 HydrophobicContact CG1-CE2 4.27Å; L76-F269 HydrophobicContact CD1-CD2 4.48Å; L76-F269 HydrophobicContact CD2-CE2 4.27Å; S267-F269 PolarHBondContact O-N 3.41Å; S267-F269 PolarHBondContact OG-N 2.88Å; F269-V271 VanDerWaalsContact C-N 3.25Å; F269-V271 PolarHBondContact O-N 3.07Å; F269-W272 AromaticContact CD2-CE3 3.85Å; F269-W272 HydrophobicContact CD2-CE3 3.85Å; F269-W272 HydrophobicContact CD2-CZ3 4.4Å; F269-W272 AromaticContact CE2-CE3 3.46Å; F269-W272 HydrophobicContact CE2-CE3 3.46Å; F269-W272 VanDerWaalsContact CE2-CE3 3.46Å; F269-W272 AromaticContact CE2-CZ3 3.56Å; F269-W272 HydrophobicContact CE2-CZ3 3.56Å; F269-W272 HydrophobicContact CZ-CE3 4.34Å; F269-W272 HydrophobicContact CZ-CZ3 4.17Å; F269-W272 CarbonylContact O-C 3.48Å; F269-W272 WeakPolarHBondContact O-CA 3.44Å; F269-W272 WeakPolarHBondContact O-CB 3.29Å; F269-W272 PolarHBondContact O-N 2.74Å; F269-V273 HydrophobicContact CD1-CG2 4.26Å; F269-V273 HydrophobicContact CD2-CG2 4.37Å; F269-V273 HydrophobicContact CE1-CG2 3.83Å; F269-V273 HydrophobicContact CE2-CG2 3.94Å; F269-V273 HydrophobicContact CZ-CG2 3.65Å; F269-V273 WeakPolarHBondContact O-CG2 3.35Å; F269-V273 PolarHBondContact O-N 3.44Å; F269-L298 HydrophobicContact CE2-CD1 3.58Å; F269-L298 HydrophobicContact CZ-CB 3.9Å; F269-L298 HydrophobicContact CZ-CD1 3.65Å; F269-L298 HydrophobicContact CZ-CG 4.45Å; F269-Y299 HydrophobicContact CD1-CE1 4.28Å; F269-Y299 HydrophobicContact CE1-CD1 4.31Å; F269-Y299 AromaticContact CE1-CE1 3.84Å; F269-Y299 HydrophobicContact CE1-CE1 3.84Å; F269-Y299 HydrophobicContact CE1-CE2 4.07Å; F269-Y299 AromaticContact CE1-CZ 3.7Å; F269-I302 HydrophobicContact CD1-CD1 4.01Å; F269-I302 HydrophobicContact CE1-CD1 3.88Å
270S93.2Very high94.6Very high26 Ų2630.3 Ų30.318%0.18218%0.178CC..Hα-helixtrans-61.2-34.4177.3-62.50000112.2S267 N274S267-S270 WeakPolarHBondContact CB-OG 3.24Å; S267-S270 PolarHBondContact O-N 3.46Å; S267-S270 PolarHBondContact OG-N 3.09Å; S267-S270 PolarHBondContact OG-OG 3.4Å; S270-N274 WeakPolarHBondContact O-CB 3.48Å; S270-N274 PolarHBondContact O-N 3Å; S270-N274 VanDerWaalsContact O-N 3.08Å; S270-N274 PolarHBondContact O-ND2 3.19Å
271V95.1Very high94.4Very high5 Ų535.5 Ų35.53%0.0321%0.205CC..Hα-helixtrans-64.6-43.9171.8174.10000111.1F83 S267 F269 N274 Q275 V339F83-V271 HydrophobicContact CB-CB 4.11Å; F83-V271 HydrophobicContact CB-CG1 3.95Å; F83-V271 HydrophobicContact CD2-CB 4.46Å; F83-V271 HydrophobicContact CD2-CG1 4.08Å; F83-V271 HydrophobicContact CD2-CG2 4.46Å; F83-V271 HydrophobicContact CG-CG1 4.42Å; S267-V271 VanDerWaalsContact O-CG2 3.29Å; S267-V271 WeakPolarHBondContact O-CG2 3.45Å; S267-V271 PolarHBondContact O-N 2.94Å; F269-V271 VanDerWaalsContact C-N 3.25Å; F269-V271 PolarHBondContact O-N 3.07Å; V271-N274 PolarHBondContact O-N 2.79Å; V271-Q275 HydrophobicContact CG1-CG 4.36Å; V271-Q275 WeakPolarHBondContact O-CB 3.4Å; V271-Q275 WeakPolarHBondContact O-CG 3.39Å; V271-Q275 PolarHBondContact O-N 3.4Å; V271-V339 HydrophobicContact CG1-CG1 4.31Å; V271-V339 HydrophobicContact CG2-CG1 3.67Å
272W96.4Very high94.2Very high0 Ų040.1 Ų40.10%023%0.229CC..Hα-helixtrans-63.2-44175.8171.289.8000112.3S61 L76 P77 A81 A268 F269 N274 Q275 S276 Y291 F294 V295 L298S61-W272 WeakPolarHBondContact OG-CB 3.14Å; L76-W272 HydrophobicContact CB-CZ2 4.16Å; L76-W272 HydrophobicContact CD1-CD2 4.03Å; L76-W272 HydrophobicContact CD1-CE3 4.46Å; L76-W272 HydrophobicContact CD1-CG 4.14Å; L76-W272 HydrophobicContact CD2-CD2 4.47Å; L76-W272 HydrophobicContact CD2-CE3 4.39Å; L76-W272 HydrophobicContact CD2-CH2 4.08Å; L76-W272 HydrophobicContact CD2-CZ2 4.12Å; L76-W272 HydrophobicContact CD2-CZ3 4.2Å; P77-W272 HydrophobicContact CG-CH2 4.48Å; P77-W272 HydrophobicContact CG-CZ2 3.98Å; P77-W272 WeakPolarHBondContact O-CZ2 3.34Å; P77-W272 PolarHBondContact O-NE1 2.58Å; A81-W272 WeakPolarHBondContact O-CA 3.28Å; A268-W272 PolarHBondContact O-N 3Å; A268-W272 VanDerWaalsContact O-N 3.13Å; F269-W272 AromaticContact CD2-CE3 3.85Å; F269-W272 HydrophobicContact CD2-CE3 3.85Å; F269-W272 HydrophobicContact CD2-CZ3 4.4Å; F269-W272 AromaticContact CE2-CE3 3.46Å; F269-W272 HydrophobicContact CE2-CE3 3.46Å; F269-W272 VanDerWaalsContact CE2-CE3 3.46Å; F269-W272 AromaticContact CE2-CZ3 3.56Å; F269-W272 HydrophobicContact CE2-CZ3 3.56Å; F269-W272 HydrophobicContact CZ-CE3 4.34Å; F269-W272 HydrophobicContact CZ-CZ3 4.17Å; F269-W272 CarbonylContact O-C 3.48Å; F269-W272 WeakPolarHBondContact O-CA 3.44Å; F269-W272 WeakPolarHBondContact O-CB 3.29Å; F269-W272 PolarHBondContact O-N 2.74Å; W272-N274 VanDerWaalsContact C-N 3.32Å; W272-N274 PolarHBondContact O-N 3.02Å; W272-Q275 PolarHBondContact O-N 3.31Å; W272-S276 VanDerWaalsContact O-CB 3.28Å; W272-S276 WeakPolarHBondContact O-CB 3.4Å; W272-S276 PolarHBondContact O-N 3.13Å; W272-S276 PolarHBondContact O-OG 3.45Å; W272-Y291 AromaticContact CH2-CE2 3.93Å; W272-Y291 HydrophobicContact CH2-CE2 3.93Å; W272-Y291 HydrophobicContact CZ2-CE2 4.37Å; W272-F294 HydrophobicContact CH2-CD1 4.17Å; W272-F294 AromaticContact CH2-CE1 3.87Å; W272-F294 HydrophobicContact CH2-CE1 3.87Å; W272-V295 HydrophobicContact CH2-CG2 4.31Å; W272-V295 HydrophobicContact CZ3-CG2 4.09Å; W272-L298 HydrophobicContact CZ3-CD1 4.42Å
273V95.5Very high93.9Very high26 Ų2641 Ų4116%0.15824%0.237CC..Hα-helixtrans-56.8-48.1175.8174.40000110.1F269 Q275 S276 G277 Y291 V295F269-V273 HydrophobicContact CD1-CG2 4.26Å; F269-V273 HydrophobicContact CD2-CG2 4.37Å; F269-V273 HydrophobicContact CE1-CG2 3.83Å; F269-V273 HydrophobicContact CE2-CG2 3.94Å; F269-V273 HydrophobicContact CZ-CG2 3.65Å; F269-V273 WeakPolarHBondContact O-CG2 3.35Å; F269-V273 PolarHBondContact O-N 3.44Å; V273-Q275 PolarHBondContact O-N 2.88Å; V273-S276 PolarHBondContact O-OG 3.32Å; V273-G277 PolarHBondContact O-N 3.15Å; V273-Y291 PolarHBondContact O-OH 3.22Å; V273-V295 HydrophobicContact CG1-CG1 4.29Å; V273-V295 HydrophobicContact CG2-CG1 4.27Å
274N93.7Very high93.8Very high98 Ų9843.6 Ų43.652%0.52424%0.242SC..Hα-helixtrans-64.2-37.5179-75.6-50.4000113.8S270 V271 W272 K278S270-N274 WeakPolarHBondContact O-CB 3.48Å; S270-N274 PolarHBondContact O-N 3Å; S270-N274 VanDerWaalsContact O-N 3.08Å; S270-N274 PolarHBondContact O-ND2 3.19Å; V271-N274 PolarHBondContact O-N 2.79Å; W272-N274 VanDerWaalsContact C-N 3.32Å; W272-N274 PolarHBondContact O-N 3.02Å; N274-K278 WeakPolarHBondContact O-CG 3.47Å
275Q95.3Very high93.7Very high81 Ų8150.8 Ų50.838%0.37928%0.275SS..Hα-helixtrans-79.3-44.5-178.9-72.4-177.79.400112.1A81 V271 W272 V273 K278 L279A81-Q275 HydrophobicContact CB-CB 3.7Å; A81-Q275 PolarHBondContact O-OE1 2.88Å; V271-Q275 HydrophobicContact CG1-CG 4.36Å; V271-Q275 WeakPolarHBondContact O-CB 3.4Å; V271-Q275 WeakPolarHBondContact O-CG 3.39Å; V271-Q275 PolarHBondContact O-N 3.4Å; W272-Q275 PolarHBondContact O-N 3.31Å; V273-Q275 PolarHBondContact O-N 2.88Å; Q275-K278 PolarHBondContact O-N 3.27Å; Q275-L279 PolarHBondContact O-N 2.87Å
276S96Very high93.7Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-68.2-37177.458.10000111.6W272 V273 K278 L279 V280 Y291W272-S276 VanDerWaalsContact O-CB 3.28Å; W272-S276 WeakPolarHBondContact O-CB 3.4Å; W272-S276 PolarHBondContact O-N 3.13Å; W272-S276 PolarHBondContact O-OG 3.45Å; V273-S276 PolarHBondContact O-OG 3.32Å; S276-K278 VanDerWaalsContact C-N 3.32Å; S276-K278 PolarHBondContact O-N 2.69Å; S276-L279 WeakPolarHBondContact O-CB 3.49Å; S276-L279 PolarHBondContact O-N 2.89Å; S276-V280 WeakPolarHBondContact O-CG2 3.49Å; S276-V280 PolarHBondContact O-N 3.13Å; S276-Y291 WeakPolarHBondContact OG-CE2 3.39Å; S276-Y291 PolarHBondContact OG-OH 3.17Å
277G94.4Very high93.5Very high14 Ų1457.4 Ų57.414%0.14430%0.3CS..Hα-helixtrans-55.8-45.1173.400000112.2V273 L279 V280 D281 Y291V273-G277 PolarHBondContact O-N 3.15Å; G277-L279 VanDerWaalsContact C-N 3.28Å; G277-L279 PolarHBondContact O-N 3.26Å; G277-V280 PolarHBondContact O-N 3.43Å; G277-V280 VanDerWaalsContact O-N 3.13Å; G277-D281 PolarHBondContact O-N 3.13Å; G277-Y291 PolarHBondContact N-OH 2.83Å
278K93.8Very high93.5Very high147 Ų14758.6 Ų58.664%0.63931%0.308SS*.Hα-helixtrans-61.9-32.9175.3-69.1170.3-174.7177.90113.6N274 Q275 S276N274-K278 WeakPolarHBondContact O-CG 3.47Å; Q275-K278 PolarHBondContact O-N 3.27Å; S276-K278 VanDerWaalsContact C-N 3.32Å; S276-K278 PolarHBondContact O-N 2.69Å
279L93.6Very high93.5Very high68 Ų6863 Ų6336%0.35633%0.332SS..Hα-helixtrans-71.1-44.9174.6-62174.5000110.1Y78 E80 A81 Q275 S276 G277 D281 T282Y78-L279 HydrophobicContact CD1-CD1 4.35Å; E80-L279 HydrophobicContact CG-CD1 3.91Å; A81-L279 HydrophobicContact CB-CD1 4.15Å; Q275-L279 PolarHBondContact O-N 2.87Å; S276-L279 WeakPolarHBondContact O-CB 3.49Å; S276-L279 PolarHBondContact O-N 2.89Å; G277-L279 VanDerWaalsContact C-N 3.28Å; G277-L279 PolarHBondContact O-N 3.26Å; L279-D281 PolarHBondContact O-N 3Å; L279-T282 PolarHBondContact O-N 3.42Å; L279-T282 PolarHBondContact O-OG1 3.48Å
280V92.9Very high93.5Very high1 Ų168.1 Ų68.11%0.00636%0.356CS..Hα-helixtrans-66.3-35.2-179172.50000112.2Y78 S276 G277 T282 T283 Y291Y78-V280 HydrophobicContact CE1-CG2 4.29Å; Y78-V280 HydrophobicContact CE2-CG2 3.74Å; S276-V280 WeakPolarHBondContact O-CG2 3.49Å; S276-V280 PolarHBondContact O-N 3.13Å; G277-V280 PolarHBondContact O-N 3.43Å; G277-V280 VanDerWaalsContact O-N 3.13Å; V280-T282 PolarHBondContact O-N 3.39Å; V280-T283 WeakPolarHBondContact O-CB 3.43Å; V280-T283 PolarHBondContact O-N 3.34Å; V280-T283 PolarHBondContact O-OG1 3.44Å; V280-Y291 HydrophobicContact CB-CD1 4.3Å; V280-Y291 HydrophobicContact CB-CG 4.28Å; V280-Y291 HydrophobicContact CG1-CD1 4.01Å; V280-Y291 HydrophobicContact CG1-CG 4Å; V280-Y291 HydrophobicContact CG2-CD1 4.2Å; V280-Y291 HydrophobicContact CG2-CD2 3.75Å; V280-Y291 HydrophobicContact CG2-CE2 4.17Å; V280-Y291 HydrophobicContact CG2-CG 3.74Å
281D89.6Confident93.6Very high126 Ų12667.7 Ų67.767%0.67435%0.35SS*.THydrogen-bonded Turntrans-59.3-19.1175.8-72.4-19.7000113.1G277 L279G277-D281 PolarHBondContact O-N 3.13Å; L279-D281 PolarHBondContact O-N 3Å
282T89.2Confident93.6Very high120 Ų12071 Ų7174%0.73637%0.368SS*.THydrogen-bonded Turntrans-89.9-0.7174.871.30000113.9L279 V280L279-T282 PolarHBondContact O-N 3.42Å; L279-T282 PolarHBondContact O-OG1 3.48Å; V280-T282 PolarHBondContact O-N 3.39Å
283T90.3Very high93.5Very high62 Ų6275.8 Ų75.838%0.3839%0.393SS..SBendtrans-102.7-172.1-176.573.60000112.3V280V280-T283 WeakPolarHBondContact O-CB 3.43Å; V280-T283 PolarHBondContact O-N 3.34Å; V280-T283 PolarHBondContact O-OG1 3.44Å
284N92.4Very high93.6Very high95 Ų9577.2 Ų77.251%0.50840%0.397SS..  trans-81158.6179.366.866.2000112K286 T287 S288N284-K286 PolarHBondContact O-N 2.66Å; N284-K286 WeakPolarHBondContact OD1-CB 3.41Å; N284-K286 PolarHBondContact OD1-N 2.94Å; N284-K286 VanDerWaalsContact OD1-N 3.16Å; N284-T287 PolarHBondContact ND2-OG1 2.84Å; N284-T287 PolarHBondContact O-N 3.33Å; N284-T287 VanDerWaalsContact O-N 3.12Å; N284-T287 PolarHBondContact OD1-N 3.5Å; N284-T287 PolarHBondContact OD1-OG1 2.9Å; N284-S288 PolarHBondContact O-N 3.46Å; N284-S288 VanDerWaalsContact O-N 3.08Å
285E92.8Very high93.7Very high156 Ų15673 Ų7373%0.72938%0.375SS*.Hα-helixtrans-56-35.3-177.5-171.3-178.9176.800113.4S288 N289E285-S288 PolarHBondContact O-N 3.11Å; E285-N289 VanDerWaalsContact O-CG 3.32Å; E285-N289 PolarHBondContact O-N 3.43Å; E285-N289 PolarHBondContact O-ND2 3.46Å
286K93.4Very high93.7Very high143 Ų14374.1 Ų74.162%0.62238%0.383SS*.Hα-helixtrans-63.9-48.1177.9-179.5-176.5171.2-175.50111.3N284 S288 N289 E290N284-K286 PolarHBondContact O-N 2.66Å; N284-K286 WeakPolarHBondContact OD1-CB 3.41Å; N284-K286 PolarHBondContact OD1-N 2.94Å; N284-K286 VanDerWaalsContact OD1-N 3.16Å; K286-S288 VanDerWaalsContact C-N 3.31Å; K286-S288 PolarHBondContact O-N 2.78Å; K286-N289 PolarHBondContact O-N 3.01Å; K286-E290 WeakPolarHBondContact CE-OE1 3.47Å; K286-E290 IonicContact NZ-OE1 2.96Å; K286-E290 WeakPolarHBondContact O-CG 3.28Å; K286-E290 PolarHBondContact O-N 2.83Å
287T92.8Very high93.8Very high36 Ų3679.6 Ų79.622%0.22141%0.409CS..Hα-helixtrans-62.6-38.9176.8-60.70000111.4N284 E290 Y291N284-T287 PolarHBondContact ND2-OG1 2.84Å; N284-T287 PolarHBondContact O-N 3.33Å; N284-T287 VanDerWaalsContact O-N 3.12Å; N284-T287 PolarHBondContact OD1-N 3.5Å; N284-T287 PolarHBondContact OD1-OG1 2.9Å; T287-E290 PolarHBondContact O-N 2.76Å; T287-Y291 WeakPolarHBondContact O-CB 3.39Å; T287-Y291 PolarHBondContact O-N 3.35Å
288S93Very high93.8Very high26 Ų2679.5 Ų79.518%0.18241%0.405CS..Hα-helixtrans-61.5-44.5174.7-176.60000112.7N284 E285 K286 Y291 N292N284-S288 PolarHBondContact O-N 3.46Å; N284-S288 VanDerWaalsContact O-N 3.08Å; E285-S288 PolarHBondContact O-N 3.11Å; K286-S288 VanDerWaalsContact C-N 3.31Å; K286-S288 PolarHBondContact O-N 2.78Å; S288-Y291 PolarHBondContact O-N 3.03Å; S288-N292 VanDerWaalsContact O-CG 3.28Å; S288-N292 PolarHBondContact O-N 3.44Å; S288-N292 PolarHBondContact O-ND2 3.11Å
289N94.5Very high93.9Very high92 Ų9276.3 Ų76.349%0.49239%0.39SS..Hα-helixtrans-66.4-41.3177.2-71.3-28.3000112.9E285 K286 Y291 N292 L293E285-N289 VanDerWaalsContact O-CG 3.32Å; E285-N289 PolarHBondContact O-N 3.43Å; E285-N289 PolarHBondContact O-ND2 3.46Å; K286-N289 PolarHBondContact O-N 3.01Å; N289-Y291 VanDerWaalsContact C-N 3.32Å; N289-N292 PolarHBondContact O-N 3.28Å; N289-L293 WeakPolarHBondContact O-CB 3.35Å; N289-L293 PolarHBondContact O-N 2.91Å
290E95Very high94Very high109 Ų10976.3 Ų76.351%0.50940%0.395SS..Hα-helixtrans-62.7-40.3175.2-73.9173.1176.700111.5K286 T287 F294K286-E290 WeakPolarHBondContact CE-OE1 3.47Å; K286-E290 IonicContact NZ-OE1 2.96Å; K286-E290 WeakPolarHBondContact O-CG 3.28Å; K286-E290 PolarHBondContact O-N 2.83Å; T287-E290 PolarHBondContact O-N 2.76Å; E290-F294 WeakPolarHBondContact O-CB 3.34Å; E290-F294 PolarHBondContact O-N 2.72Å
291Y95.1Very high94.1Very high17 Ų1778 Ų787%0.06741%0.409CS..Hα-helixtrans-64.4-49.5175170-96000112.4Y78 W272 V273 S276 G277 V280 T287 S288 N289 L293 F294 V295Y78-Y291 HydrophobicContact CE2-CD2 4.01Å; Y78-Y291 HydrophobicContact CE2-CE2 4.45Å; W272-Y291 AromaticContact CH2-CE2 3.93Å; W272-Y291 HydrophobicContact CH2-CE2 3.93Å; W272-Y291 HydrophobicContact CZ2-CE2 4.37Å; V273-Y291 PolarHBondContact O-OH 3.22Å; S276-Y291 WeakPolarHBondContact OG-CE2 3.39Å; S276-Y291 PolarHBondContact OG-OH 3.17Å; G277-Y291 PolarHBondContact N-OH 2.83Å; V280-Y291 HydrophobicContact CB-CD1 4.3Å; V280-Y291 HydrophobicContact CB-CG 4.28Å; V280-Y291 HydrophobicContact CG1-CD1 4.01Å; V280-Y291 HydrophobicContact CG1-CG 4Å; V280-Y291 HydrophobicContact CG2-CD1 4.2Å; V280-Y291 HydrophobicContact CG2-CD2 3.75Å; V280-Y291 HydrophobicContact CG2-CE2 4.17Å; V280-Y291 HydrophobicContact CG2-CG 3.74Å; T287-Y291 WeakPolarHBondContact O-CB 3.39Å; T287-Y291 PolarHBondContact O-N 3.35Å; S288-Y291 PolarHBondContact O-N 3.03Å; N289-Y291 VanDerWaalsContact C-N 3.32Å; Y291-L293 VanDerWaalsContact C-N 3.31Å; Y291-L293 PolarHBondContact O-N 3.48Å; Y291-F294 WeakPolarHBondContact O-CB 3.26Å; Y291-F294 PolarHBondContact O-N 3.27Å; Y291-F294 VanDerWaalsContact O-N 3.1Å; Y291-V295 HydrophobicContact CD1-CG2 4.33Å; Y291-V295 HydrophobicContact CD2-CG2 4.29Å; Y291-V295 HydrophobicContact CE1-CG2 3.84Å; Y291-V295 HydrophobicContact CE2-CG2 3.83Å; Y291-V295 WeakPolarHBondContact O-CG2 3.4Å; Y291-V295 PolarHBondContact O-N 3.16Å
292N94.9Very high94.3Very high74 Ų7472.1 Ų72.140%0.39638%0.378SS..Hα-helixtrans-60-43.9179.7-70.6-26.7000111.1S288 N289 F294 V295 D296S288-N292 VanDerWaalsContact O-CG 3.28Å; S288-N292 PolarHBondContact O-N 3.44Å; S288-N292 PolarHBondContact O-ND2 3.11Å; N289-N292 PolarHBondContact O-N 3.28Å; N292-F294 VanDerWaalsContact C-N 3.3Å; N292-F294 PolarHBondContact O-N 2.93Å; N292-V295 PolarHBondContact O-N 2.98Å; N292-D296 WeakPolarHBondContact O-CB 3.44Å; N292-D296 VanDerWaalsContact O-CG 3.27Å; N292-D296 PolarHBondContact O-N 3.28Å
293L96.2Very high94.5Very high100 Ų10071.4 Ų71.452%0.52437%0.369SS..Hα-helixtrans-60.5-39.7175.4-17863.5000112.2N289 Y291 Q297N289-L293 WeakPolarHBondContact O-CB 3.35Å; N289-L293 PolarHBondContact O-N 2.91Å; Y291-L293 VanDerWaalsContact C-N 3.31Å; Y291-L293 PolarHBondContact O-N 3.48Å; L293-Q297 WeakPolarHBondContact O-CB 3.38Å; L293-Q297 VanDerWaalsContact O-CG 3.24Å; L293-Q297 WeakPolarHBondContact O-CG 3.17Å; L293-Q297 PolarHBondContact O-N 3.47Å
294F96.3Very high94.7Very high56 Ų5674.8 Ų74.825%0.24639%0.385CS..Hα-helixtrans-64.6-45.3175.8176.1-102.3000111.8L76 P77 W272 E290 Y291 N292 Q297 L298L76-F294 HydrophobicContact CD2-CE1 4.17Å; L76-F294 HydrophobicContact CD2-CZ 4.35Å; P77-F294 VanDerWaalsContact CD-CE1 3.46Å; P77-F294 HydrophobicContact CG-CD1 4.29Å; P77-F294 HydrophobicContact CG-CE1 3.91Å; P77-F294 HydrophobicContact CG-CZ 4.45Å; W272-F294 HydrophobicContact CH2-CD1 4.17Å; W272-F294 AromaticContact CH2-CE1 3.87Å; W272-F294 HydrophobicContact CH2-CE1 3.87Å; E290-F294 WeakPolarHBondContact O-CB 3.34Å; E290-F294 PolarHBondContact O-N 2.72Å; Y291-F294 WeakPolarHBondContact O-CB 3.26Å; Y291-F294 PolarHBondContact O-N 3.27Å; Y291-F294 VanDerWaalsContact O-N 3.1Å; N292-F294 VanDerWaalsContact C-N 3.3Å; N292-F294 PolarHBondContact O-N 2.93Å; F294-Q297 WeakPolarHBondContact O-CB 3.45Å; F294-Q297 PolarHBondContact O-N 3.34Å; F294-L298 HydrophobicContact CD1-CD1 4.06Å; F294-L298 HydrophobicContact CE1-CD1 3.49Å; F294-L298 VanDerWaalsContact CE1-CD1 3.49Å; F294-L298 HydrophobicContact CE1-CG 4.18Å; F294-L298 HydrophobicContact CZ-CD1 3.83Å; F294-L298 HydrophobicContact CZ-CD2 4.31Å; F294-L298 HydrophobicContact CZ-CG 4.21Å; F294-L298 WeakPolarHBondContact O-CG 3.37Å; F294-L298 PolarHBondContact O-N 3.18Å
295V95.9Very high94.7Very high11 Ų1174.9 Ų74.97%0.06738%0.382CS..Hα-helixtrans-62.6-43177.1173.10000111.3W272 V273 Y291 N292 Q297 L298 Y299W272-V295 HydrophobicContact CH2-CG2 4.31Å; W272-V295 HydrophobicContact CZ3-CG2 4.09Å; V273-V295 HydrophobicContact CG1-CG1 4.29Å; V273-V295 HydrophobicContact CG2-CG1 4.27Å; Y291-V295 HydrophobicContact CD1-CG2 4.33Å; Y291-V295 HydrophobicContact CD2-CG2 4.29Å; Y291-V295 HydrophobicContact CE1-CG2 3.84Å; Y291-V295 HydrophobicContact CE2-CG2 3.83Å; Y291-V295 WeakPolarHBondContact O-CG2 3.4Å; Y291-V295 PolarHBondContact O-N 3.16Å; N292-V295 PolarHBondContact O-N 2.98Å; V295-Q297 VanDerWaalsContact C-N 3.34Å; V295-Q297 PolarHBondContact O-N 2.93Å; V295-L298 WeakPolarHBondContact O-CB 3.23Å; V295-L298 PolarHBondContact O-N 2.91Å; V295-L298 VanDerWaalsContact O-N 3.15Å; V295-Y299 HydrophobicContact CG1-CD2 3.69Å; V295-Y299 HydrophobicContact CG1-CE2 3.52Å; V295-Y299 WeakPolarHBondContact O-CD2 3.38Å; V295-Y299 PolarHBondContact O-N 3.3Å
296D96.1Very high94.6Very high104 Ų10469 Ų6956%0.55636%0.357SS*.Hα-helixtrans-61.6-41.5176.5-70.6-19.8000111.8N292 L298 Y299 S300N292-D296 WeakPolarHBondContact O-CB 3.44Å; N292-D296 VanDerWaalsContact O-CG 3.27Å; N292-D296 PolarHBondContact O-N 3.28Å; D296-L298 VanDerWaalsContact C-N 3.31Å; D296-L298 PolarHBondContact O-N 3.03Å; D296-Y299 PolarHBondContact O-N 3.28Å; D296-S300 PolarHBondContact O-N 3.26Å
297Q96.6Very high94.3Very high115 Ų11563.3 Ų63.354%0.53734%0.339SS..Hα-helixtrans-62.2-38.3174.5-75.3171.62.400112.2L293 F294 V295 A301L293-Q297 WeakPolarHBondContact O-CB 3.38Å; L293-Q297 VanDerWaalsContact O-CG 3.24Å; L293-Q297 WeakPolarHBondContact O-CG 3.17Å; L293-Q297 PolarHBondContact O-N 3.47Å; F294-Q297 WeakPolarHBondContact O-CB 3.45Å; F294-Q297 PolarHBondContact O-N 3.34Å; V295-Q297 VanDerWaalsContact C-N 3.34Å; V295-Q297 PolarHBondContact O-N 2.93Å; Q297-A301 WeakPolarHBondContact O-CB 3.37Å; Q297-A301 PolarHBondContact O-N 3.18Å
298L96.3Very high93.7Very high11 Ų1166 Ų666%0.05836%0.359CS..Hα-helixtrans-65.1-47.7175.1-69.3-177.9000111.5I65 L74 L76 F269 W272 F294 V295 D296 S300 A301 I302I65-L298 HydrophobicContact CD1-CB 4.32Å; I65-L298 HydrophobicContact CD1-CD2 4.42Å; I65-L298 HydrophobicContact CG1-CD1 4.36Å; I65-L298 HydrophobicContact CG1-CD2 4.15Å; L74-L298 HydrophobicContact CD1-CD2 3.66Å; L74-L298 HydrophobicContact CD2-CD2 4.43Å; L74-L298 HydrophobicContact CG-CD2 4.41Å; L76-L298 HydrophobicContact CD2-CD1 3.77Å; F269-L298 HydrophobicContact CE2-CD1 3.58Å; F269-L298 HydrophobicContact CZ-CB 3.9Å; F269-L298 HydrophobicContact CZ-CD1 3.65Å; F269-L298 HydrophobicContact CZ-CG 4.45Å; W272-L298 HydrophobicContact CZ3-CD1 4.42Å; F294-L298 HydrophobicContact CD1-CD1 4.06Å; F294-L298 HydrophobicContact CE1-CD1 3.49Å; F294-L298 VanDerWaalsContact CE1-CD1 3.49Å; F294-L298 HydrophobicContact CE1-CG 4.18Å; F294-L298 HydrophobicContact CZ-CD1 3.83Å; F294-L298 HydrophobicContact CZ-CD2 4.31Å; F294-L298 HydrophobicContact CZ-CG 4.21Å; F294-L298 WeakPolarHBondContact O-CG 3.37Å; F294-L298 PolarHBondContact O-N 3.18Å; V295-L298 WeakPolarHBondContact O-CB 3.23Å; V295-L298 PolarHBondContact O-N 2.91Å; V295-L298 VanDerWaalsContact O-N 3.15Å; D296-L298 VanDerWaalsContact C-N 3.31Å; D296-L298 PolarHBondContact O-N 3.03Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 3.21Å; L298-A301 PolarHBondContact O-N 3.16Å; L298-A301 VanDerWaalsContact O-N 3.16Å; L298-I302 VanDerWaalsContact O-CG1 3.22Å; L298-I302 WeakPolarHBondContact O-CG1 3.5Å; L298-I302 PolarHBondContact O-N 3.46Å
299Y95.1Very high93Very high81 Ų8166.6 Ų66.632%0.31836%0.359SS..Hα-helixtrans-62-38.7177.2-80.7-63.9000112.5F269 V295 D296 I302 D303F269-Y299 HydrophobicContact CD1-CE1 4.28Å; F269-Y299 HydrophobicContact CE1-CD1 4.31Å; F269-Y299 AromaticContact CE1-CE1 3.84Å; F269-Y299 HydrophobicContact CE1-CE1 3.84Å; F269-Y299 HydrophobicContact CE1-CE2 4.07Å; F269-Y299 AromaticContact CE1-CZ 3.7Å; V295-Y299 HydrophobicContact CG1-CD2 3.69Å; V295-Y299 HydrophobicContact CG1-CE2 3.52Å; V295-Y299 WeakPolarHBondContact O-CD2 3.38Å; V295-Y299 PolarHBondContact O-N 3.3Å; D296-Y299 PolarHBondContact O-N 3.28Å; Y299-I302 HydrophobicContact CD1-CD1 4.22Å; Y299-I302 PolarHBondContact O-N 2.9Å; Y299-D303 PolarHBondContact O-N 3.14Å
300S95.2Very high92.5Very high68 Ų6864 Ų6448%0.47634%0.344SS..Hα-helixtrans-60.9-44.8172.9-172.70000111.7D296 L298 I302 D303 D304D296-S300 PolarHBondContact O-N 3.26Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 3.21Å; S300-I302 VanDerWaalsContact C-N 3.32Å; S300-I302 PolarHBondContact O-N 3.43Å; S300-D303 PolarHBondContact O-N 2.91Å; S300-D304 VanDerWaalsContact O-CG 3.32Å; S300-D304 PolarHBondContact O-N 3.25Å
301A95.7Very high92.4Very high36 Ų3660.2 Ų60.230%0.29833%0.328SS..Hα-helixtrans-67.9-31.4178.900000113T69 Q297 L298 H305T69-A301 HydrophobicContact CG2-CB 3.93Å; Q297-A301 WeakPolarHBondContact O-CB 3.37Å; Q297-A301 PolarHBondContact O-N 3.18Å; L298-A301 PolarHBondContact O-N 3.16Å; L298-A301 VanDerWaalsContact O-N 3.16Å; A301-H305 PolarHBondContact O-N 2.99Å
302I94.5Very high92.4Very high3 Ų359.5 Ų59.52%0.01533%0.325CS..Hα-helixtrans-65.3-51.6171.9-67.8165.4000109.5I65 L68 T69 F269 L298 Y299 S300 D304 H305 V306 G307 L310I65-I302 HydrophobicContact CD1-CD1 3.41Å; I65-I302 VanDerWaalsContact CD1-CD1 3.41Å; I65-I302 HydrophobicContact CD1-CG1 3.8Å; L68-I302 HydrophobicContact CB-CG1 3.94Å; L68-I302 HydrophobicContact CB-CG2 4.35Å; L68-I302 HydrophobicContact CD1-CD1 4.45Å; T69-I302 HydrophobicContact CG2-CG1 3.81Å; F269-I302 HydrophobicContact CD1-CD1 4.01Å; F269-I302 HydrophobicContact CE1-CD1 3.88Å; L298-I302 VanDerWaalsContact O-CG1 3.22Å; L298-I302 WeakPolarHBondContact O-CG1 3.5Å; L298-I302 PolarHBondContact O-N 3.46Å; Y299-I302 HydrophobicContact CD1-CD1 4.22Å; Y299-I302 PolarHBondContact O-N 2.9Å; S300-I302 VanDerWaalsContact C-N 3.32Å; S300-I302 PolarHBondContact O-N 3.43Å; I302-D304 VanDerWaalsContact C-N 3.29Å; I302-D304 PolarHBondContact O-N 2.94Å; I302-H305 PolarHBondContact O-N 3.3Å; I302-H305 VanDerWaalsContact O-N 3.09Å; I302-V306 HydrophobicContact CG2-CG2 3.52Å; I302-V306 WeakPolarHBondContact O-CG2 3.39Å; I302-V306 PolarHBondContact O-N 3.42Å; I302-G307 PolarHBondContact O-N 2.88Å; I302-L310 HydrophobicContact CG2-CB 3.95Å
303D93.3Very high92.4Very high104 Ų10458.2 Ų58.256%0.55632%0.317SS*.Hα-helixtrans-59.1-41.4-179.2-169.256.3000111.7Y299 S300 H305 G307Y299-D303 PolarHBondContact O-N 3.14Å; S300-D303 PolarHBondContact O-N 2.91Å; D303-H305 VanDerWaalsContact C-N 3.29Å; D303-H305 PolarHBondContact O-N 3.4Å; D303-G307 WeakPolarHBondContact O-CA 3.26Å; D303-G307 PolarHBondContact O-N 3.25Å
304D94.2Very high92.4Very high134 Ų13453.4 Ų53.472%0.71729%0.292SS*.Hα-helixtrans-61.9-32.7176.5-75.3-25.4000113.5S300 I302S300-D304 VanDerWaalsContact O-CG 3.32Å; S300-D304 PolarHBondContact O-N 3.25Å; I302-D304 VanDerWaalsContact C-N 3.29Å; I302-D304 PolarHBondContact O-N 2.94Å
305H92.4Very high92.4Very high96 Ų9651 Ų5144%0.44428%0.282SS..Hα-helixtrans-95.7-47.7-175.3-175.547.2000113.8L68 A301 I302 D303L68-H305 WeakPolarHBondContact O-CB 3.38Å; L68-H305 PolarHBondContact O-CD2 3.46Å; A301-H305 PolarHBondContact O-N 2.99Å; I302-H305 PolarHBondContact O-N 3.3Å; I302-H305 VanDerWaalsContact O-N 3.09Å; D303-H305 VanDerWaalsContact C-N 3.29Å; D303-H305 PolarHBondContact O-N 3.4Å
306V89.3Confident92.5Very high32 Ų3250.5 Ų50.519%0.19428%0.279CS..Hα-helixtrans-118.3-7.5-172.9-61.40000113.7L68 I302 F309L68-V306 HydrophobicContact CD2-CG2 4.07Å; I302-V306 HydrophobicContact CG2-CG2 3.52Å; I302-V306 WeakPolarHBondContact O-CG2 3.39Å; I302-V306 PolarHBondContact O-N 3.42Å; V306-F309 WeakPolarHBondContact CB-O 3.46Å; V306-F309 WeakPolarHBondContact CG2-O 3.38Å; V306-F309 PolarHBondContact O-N 3.41Å
307G87.1Confident92.6Very high24 Ų2445.6 Ų45.625%0.24725%0.252CS..THydrogen-bonded Turntrans61.5-134.4-175.600000112I302 D303 F309I302-G307 PolarHBondContact O-N 2.88Å; D303-G307 WeakPolarHBondContact O-CA 3.26Å; D303-G307 PolarHBondContact O-N 3.25Å; G307-F309 PolarHBondContact O-N 3.41Å
308S80.3Confident92.7Very high92 Ų9240.1 Ų40.164%0.64323%0.227SC*.THydrogen-bonded Turntrans-74.2-7.3-178.461.80000114.8L310S308-L310 PolarHBondContact O-N 2.99Å; S308-L310 VanDerWaalsContact O-N 3.12Å
309F79.2Confident92.6Very high39 Ų3942.3 Ų42.317%0.17124%0.235CC..  trans-82.684.8177.2-67.6-95.7000109.5Y46 Y48 P141 V306 G307Y46-F309 HydrophobicContact CD2-CE1 4.5Å; Y48-F309 HydrophobicContact CE2-CB 4.46Å; Y48-F309 PolarHBondContact OH-O 2.88Å; P141-F309 HydrophobicContact CB-CE1 4.19Å; P141-F309 HydrophobicContact CB-CE2 4.38Å; P141-F309 HydrophobicContact CB-CZ 3.48Å; P141-F309 VanDerWaalsContact CB-CZ 3.48Å; P141-F309 HydrophobicContact CG-CE1 4.25Å; P141-F309 HydrophobicContact CG-CZ 3.67Å; V306-F309 WeakPolarHBondContact CB-O 3.46Å; V306-F309 WeakPolarHBondContact CG2-O 3.38Å; V306-F309 PolarHBondContact O-N 3.41Å; G307-F309 PolarHBondContact O-N 3.41Å
310L84.7Confident92.7Very high37 Ų3742.9 Ų42.919%0.19424%0.237CC..  trans-116.2-30.3179.175.8103.1000113.5I302 S308I302-L310 HydrophobicContact CG2-CB 3.95Å; S308-L310 PolarHBondContact O-N 2.99Å; S308-L310 VanDerWaalsContact O-N 3.12Å
311D92.9Very high92.7Very high31 Ų3140.2 Ų40.217%0.16622%0.217CC..SBendtrans-97.5160.1-173.7-67.1-41.9000112.4N43 Y48 A265 S267 E313N43-D311 PolarHBondContact ND2-O 3.37Å; Y48-D311 WeakPolarHBondContact CD1-O 3.29Å; A265-D311 HydrophobicContact CB-CB 3.95Å; S267-D311 WeakPolarHBondContact CB-OD1 3.32Å; D311-E313 HydrophobicContact CB-CG 4.01Å; D311-E313 PolarHBondContact O-N 3.18Å
312N94.8Very high92.7Very high1 Ų139.8 Ų39.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-75.4118.1156.4-53-81.4000107.4Y48 K49 A50 A265 T266Y48-N312 WeakPolarHBondContact CB-OD1 3.29Å; K49-N312 PolarHBondContact N-OD1 2.75Å; K49-N312 PolarHBondContact O-OD1 3.05Å; A50-N312 HydrophobicContact CB-CB 3.85Å; A265-N312 WeakPolarHBondContact CA-O 3.23Å; T266-N312 PolarHBondContact N-O 2.59Å; T266-N312 PolarHBondContact O-N 3.28Å; T266-N312 PolarHBondContact O-ND2 2.68Å; T266-N312 VanDerWaalsContact O-ND2 3.15Å; T266-N312 WeakPolarHBondContact OG1-CB 3.44Å
313E94.6Very high92.7Very high47 Ų4740 Ų4022%0.2221%0.212CC..EExtended strand (participates in β ladder)trans-115.4143.7-171.2-63.1179.115500111.4Q39 F40 N43 I264 D311Q39-E313 WeakPolarHBondContact CA-O 3.38Å; Q39-E313 WeakPolarHBondContact CG-O 3.29Å; F40-E313 HydrophobicContact CD2-CB 3.55Å; F40-E313 HydrophobicContact CE2-CB 3.97Å; F40-E313 PolarHBondContact N-O 2.95Å; N43-E313 HydrophobicContact CB-CB 4.39Å; N43-E313 VanDerWaalsContact CG-N 3.31Å; N43-E313 PolarHBondContact ND2-N 3.38Å; N43-E313 PolarHBondContact OD1-N 3.05Å; N43-E313 VanDerWaalsContact OD1-N 3.1Å; I264-E313 CarbonylContact O-C 3.53Å; I264-E313 WeakPolarHBondContact O-CA 3.45Å; D311-E313 HydrophobicContact CB-CG 4.01Å; D311-E313 PolarHBondContact O-N 3.18Å
314G96.4Very high92.8Very high0 Ų035.1 Ų35.10%019%0.186CC..EExtended strand (participates in β ladder)trans-166.7-167.7175.800000112.4C38 F40 G263 I264C38-G314 CarbonylContact O-C 3.58Å; C38-G314 WeakPolarHBondContact O-CA 3.46Å; F40-G314 VanDerWaalsContact CZ-C 3.47Å; F40-G314 VanDerWaalsContact CZ-O 3.28Å; F40-G314 WeakPolarHBondContact CZ-O 3.46Å; G263-G314 CarbonylContact C-O 3.57Å; G263-G314 WeakPolarHBondContact CA-O 3.33Å; I264-G314 PolarHBondContact N-O 3.15Å; I264-G314 PolarHBondContact O-N 3.43Å
315V96.8Very high92.9Very high6 Ų630 Ų304%0.03616%0.159CC..EExtended strand (participates in β ladder)trans-138143.7-18058.20000110.2C37 C38 F40 T146 L149 Q262C37-V315 CarbonylContact C-O 3.51Å; C37-V315 WeakPolarHBondContact CA-O 3.18Å; C37-V315 VanDerWaalsContact CB-O 3.23Å; C37-V315 WeakPolarHBondContact CB-O 3.46Å; C38-V315 PolarHBondContact N-O 3.26Å; C38-V315 PolarHBondContact O-N 2.93Å; F40-V315 HydrophobicContact CD1-CG1 4.26Å; F40-V315 HydrophobicContact CE1-CB 3.64Å; F40-V315 HydrophobicContact CE1-CG1 3.62Å; F40-V315 HydrophobicContact CZ-CB 4.08Å; T146-V315 HydrophobicContact CG2-CG1 3.93Å; L149-V315 HydrophobicContact CB-CG1 4.47Å; L149-V315 HydrophobicContact CD2-CG1 3.9Å; L149-V315 HydrophobicContact CD2-CG2 4.21Å; Q262-V315 WeakPolarHBondContact O-CA 3.47Å
316G97.7Very high93.1Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-134.6156.3175.400000113.3I36 Q262 Y318I36-G316 CarbonylContact O-C 3.58Å; I36-G316 VanDerWaalsContact O-CA 3.28Å; I36-G316 WeakPolarHBondContact O-CA 3.36Å; Q262-G316 PolarHBondContact N-O 2.91Å; Q262-G316 PolarHBondContact O-N 2.93Å; G316-Y318 WeakPolarHBondContact O-CD2 3.26Å
317L98.1Very high93.5Very high0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-100.9125.8170.8-62.2179.9000109.5P34 L35 I36 L149 I153 L175 F178 L256 I257 N260P34-L317 CarbonylContact C-O 3.48Å; P34-L317 WeakPolarHBondContact CA-O 3.32Å; L35-L317 PolarHBondContact N-O 2.8Å; I36-L317 HydrophobicContact CG2-CB 4.34Å; I36-L317 HydrophobicContact CG2-CD1 4.15Å; I36-L317 HydrophobicContact CG2-CG 4.39Å; I36-L317 PolarHBondContact O-N 3.23Å; L149-L317 HydrophobicContact CD2-CD2 4.29Å; L149-L317 HydrophobicContact CD2-CG 4.06Å; I153-L317 HydrophobicContact CD1-CD1 3.9Å; L175-L317 HydrophobicContact CD2-CD1 3.6Å; F178-L317 HydrophobicContact CE1-CB 4.02Å; F178-L317 HydrophobicContact CE1-CD2 4.27Å; F178-L317 HydrophobicContact CZ-CB 4.33Å; L256-L317 HydrophobicContact CD2-CD1 4Å; I257-L317 HydrophobicContact CG2-CD1 4.42Å; N260-L317 HydrophobicContact CB-CD2 3.92Å; N260-L317 WeakPolarHBondContact O-CD2 3.45Å
318Y97.7Very high94Very high0 Ų024.2 Ų24.20%013%0.125CC..  trans-119.8129.5-177.4-64.1-96.9000108.8E32 P34 F178 Q262 I264 G316 S322 S341 L343E32-Y318 HydrophobicContact CG-CD1 4.16Å; P34-Y318 HydrophobicContact CB-CD1 4.11Å; P34-Y318 HydrophobicContact CB-CD2 4.48Å; P34-Y318 HydrophobicContact CB-CE1 3.67Å; P34-Y318 HydrophobicContact CB-CE2 4.05Å; P34-Y318 HydrophobicContact CB-CG 4.5Å; P34-Y318 HydrophobicContact CG-CE1 4.11Å; F178-Y318 WeakPolarHBondContact CZ-O 3.28Å; Q262-Y318 HydrophobicContact CB-CD2 3.7Å; Q262-Y318 HydrophobicContact CB-CE2 3.73Å; Q262-Y318 HydrophobicContact CG-CD2 4.23Å; Q262-Y318 HydrophobicContact CG-CE2 3.99Å; I264-Y318 HydrophobicContact CD1-CE2 4.39Å; I264-Y318 VanDerWaalsContact CD1-OH 3.25Å; I264-Y318 WeakPolarHBondContact CD1-OH 3.4Å; I264-Y318 HydrophobicContact CG1-CE2 4.47Å; I264-Y318 WeakPolarHBondContact CG1-OH 3.41Å; G316-Y318 WeakPolarHBondContact O-CD2 3.26Å; Y318-S322 WeakPolarHBondContact O-CB 3.23Å; Y318-S322 PolarHBondContact O-N 2.93Å; Y318-S322 PolarHBondContact O-OG 3.03Å; Y318-S341 WeakPolarHBondContact CE1-O 3.46Å; Y318-S341 PolarHBondContact OH-O 3.11Å; Y318-L343 HydrophobicContact CD1-CD2 3.31Å; Y318-L343 HydrophobicContact CD1-CG 3.63Å; Y318-L343 HydrophobicContact CD2-CD2 3.77Å; Y318-L343 HydrophobicContact CE1-CB 4.24Å; Y318-L343 HydrophobicContact CE1-CD2 3.46Å; Y318-L343 VanDerWaalsContact CE1-CD2 3.46Å; Y318-L343 HydrophobicContact CE1-CG 3.62Å; Y318-L343 HydrophobicContact CE2-CD2 3.93Å; Y318-L343 HydrophobicContact CG-CD2 3.47Å; Y318-L343 VanDerWaalsContact CG-CD2 3.47Å; Y318-L343 HydrophobicContact CG-CG 4.29Å
319Y95.9Very high94.7Very high58 Ų5823 Ų2323%0.22712%0.117CC..THydrogen-bonded Turntrans-68.8-53.1-172.3-177.8-98.4000110.9E32 L35 A174 Q177 F178 S322 R323E32-Y319 WeakPolarHBondContact OE1-CA 3.46Å; E32-Y319 VanDerWaalsContact OE1-CB 3.27Å; E32-Y319 WeakPolarHBondContact OE1-CB 3.5Å; E32-Y319 PolarHBondContact OE1-N 3.12Å; L35-Y319 HydrophobicContact CD1-CD2 4.49Å; A174-Y319 HydrophobicContact CB-CD2 3.83Å; A174-Y319 HydrophobicContact CB-CE2 4.05Å; Q177-Y319 HydrophobicContact CB-CE2 4.23Å; Q177-Y319 HydrophobicContact CG-CE2 4.44Å; F178-Y319 HydrophobicContact CE2-CD2 4.1Å; Y319-S322 PolarHBondContact O-OG 3.48Å; Y319-R323 VanDerWaalsContact CE2-NH2 3.34Å; Y319-R323 VanDerWaalsContact CZ-CZ 3.47Å; Y319-R323 PolarHBondContact O-NH1 3.43Å; Y319-R323 PolarHBondContact OH-NH2 2.94Å
320Y95.7Very high95.6Very high92 Ų9222.4 Ų22.436%0.36112%0.116SC..THydrogen-bonded Turntrans-79.8-40.3-175.6-65.7-67.4000112.6M1 E32 S322 R323M1-Y320 HydrophobicContact CE-CD1 3.04Å; M1-Y320 HydrophobicContact CE-CD2 3.71Å; M1-Y320 HydrophobicContact CE-CE1 3.64Å; M1-Y320 HydrophobicContact CE-CE2 4.23Å; M1-Y320 HydrophobicContact CE-CG 3.06Å; M1-Y320 HydrophobicContact SD-CD1 3.5Å; M1-Y320 WeakPolarHBondContact SD-CD1 3.49Å; M1-Y320 HydrophobicContact SD-CE1 3.44Å; M1-Y320 WeakPolarHBondContact SD-CE1 3.42Å; M1-Y320 HydrophobicContact SD-CE2 4.49Å; M1-Y320 HydrophobicContact SD-CG 4.04Å; E32-Y320 WeakPolarHBondContact OE1-CD2 3.38Å; E32-Y320 PolarHBondContact OE1-N 2.84Å; E32-Y320 WeakPolarHBondContact OE2-CB 3.35Å; E32-Y320 PolarHBondContact OE2-N 2.84Å; E32-Y320 VanDerWaalsContact OE2-N 3.09Å; Y320-S322 VanDerWaalsContact C-N 3.32Å; Y320-S322 PolarHBondContact O-N 3.11Å; Y320-R323 PolarHBondContact O-N 3.49Å
321Q96.3Very high96.2Very high13 Ų1321 Ų216%0.06111%0.109CC..G310 helixtrans-62.5-36.6178.3178-81.1-20.800112.7E32 R323 I324 I334 L343E32-Q321 PolarHBondContact OE2-N 2.78Å; E32-Q321 VanDerWaalsContact OE2-N 3.08Å; Q321-R323 PolarHBondContact O-N 3.48Å; Q321-I324 WeakPolarHBondContact O-CB 3.26Å; Q321-I324 WeakPolarHBondContact O-CG1 3.27Å; Q321-I324 PolarHBondContact O-N 3.36Å; Q321-I334 HydrophobicContact CG-CD1 3.54Å; Q321-I334 HydrophobicContact CG-CG1 4.24Å; Q321-L343 HydrophobicContact CB-CD1 4.2Å; Q321-L343 HydrophobicContact CB-CD2 3.95Å; Q321-L343 HydrophobicContact CG-CD1 4.49Å; Q321-L343 HydrophobicContact CG-CD2 3.88Å
322S95.1Very high96.5Very high26 Ų2619.6 Ų19.618%0.18210%0.101CC..G310 helixtrans-64.1-13.3179.459.50000114.4Y318 Y319 Y320Y318-S322 WeakPolarHBondContact O-CB 3.23Å; Y318-S322 PolarHBondContact O-N 2.93Å; Y318-S322 PolarHBondContact O-OG 3.03Å; Y319-S322 PolarHBondContact O-OG 3.48Å; Y320-S322 VanDerWaalsContact C-N 3.32Å; Y320-S322 PolarHBondContact O-N 3.11Å
323R93.8Very high96.6Very high9 Ų922.8 Ų22.83%0.03412%0.118CC..G310 helixtrans-87.3-11.7175.1-68163.6164.670.7-0.4113E6 G16 Y319 Y320 Q321 N325E6-R323 IonicContact OE1-CZ 2.82Å; E6-R323 IonicContact OE1-NE 2.78Å; E6-R323 PolarHBondContact OE1-NE 3.07Å; E6-R323 IonicContact OE1-NH2 3.73Å; E6-R323 IonicContact OE2-CZ 3.85Å; E6-R323 IonicContact OE2-NE 3.85Å; E6-R323 PolarHBondContact OE2-NE 3.34Å; E6-R323 IonicContact OE2-NH2 2.71Å; G16-R323 VanDerWaalsContact CA-O 3.23Å; G16-R323 WeakPolarHBondContact CA-O 3.21Å; Y319-R323 VanDerWaalsContact CE2-NH2 3.34Å; Y319-R323 VanDerWaalsContact CZ-CZ 3.47Å; Y319-R323 PolarHBondContact O-NH1 3.43Å; Y319-R323 PolarHBondContact OH-NH2 2.94Å; Y320-R323 PolarHBondContact O-N 3.49Å; Q321-R323 PolarHBondContact O-N 3.48Å; R323-N325 PolarHBondContact O-N 3.25Å
324I96.5Very high96.7Very high0 Ų022 Ų220%012%0.115CC..PPolyproline II helixtrans-78.3119.8-174.9-56.3175.9000108.8L17 F30 Q321 V345 I357 I359 Y361L17-I324 HydrophobicContact CD1-CD1 4.2Å; L17-I324 HydrophobicContact CD1-CG1 3.76Å; L17-I324 HydrophobicContact CG-CG1 4.19Å; F30-I324 HydrophobicContact CE1-CD1 4.33Å; F30-I324 HydrophobicContact CZ-CD1 4Å; Q321-I324 WeakPolarHBondContact O-CB 3.26Å; Q321-I324 WeakPolarHBondContact O-CG1 3.27Å; Q321-I324 PolarHBondContact O-N 3.36Å; I324-V345 HydrophobicContact CD1-CB 4.44Å; I324-V345 HydrophobicContact CD1-CG1 3.82Å; I324-V345 HydrophobicContact CD1-CG2 3.83Å; I324-I357 HydrophobicContact CG2-CG2 4.09Å; I324-I357 WeakPolarHBondContact CG2-O 3.35Å; I324-I359 HydrophobicContact CB-CD1 4.11Å; I324-I359 HydrophobicContact CB-CG1 4.13Å; I324-I359 HydrophobicContact CG2-CB 4.25Å; I324-I359 HydrophobicContact CG2-CD1 4.26Å; I324-I359 HydrophobicContact CG2-CG1 3.77Å; I324-I359 HydrophobicContact CG2-CG2 3.9Å; I324-Y361 VanDerWaalsContact O-CE1 3.31Å; I324-Y361 WeakPolarHBondContact O-CE1 3.3Å; I324-Y361 PolarHBondContact O-OH 3.1Å
325N96Very high96.7Very high28 Ų2826.9 Ų26.915%0.1513%0.133CC..EExtended strand (participates in β ladder)trans-70.4156.2-178.7-78.4-43.9000112.9R13 R15 R323 E356 T358 I359 Y361R13-N325 PolarHBondContact O-OD1 3.19Å; R15-N325 PolarHBondContact O-ND2 3.21Å; R323-N325 PolarHBondContact O-N 3.25Å; N325-E356 WeakPolarHBondContact CB-OE1 3.49Å; N325-E356 PolarHBondContact ND2-OE1 2.95Å; N325-T358 VanDerWaalsContact O-CA 3.23Å; N325-T358 WeakPolarHBondContact O-CA 3.3Å; N325-T358 WeakPolarHBondContact O-CB 3.41Å; N325-I359 PolarHBondContact O-N 3.24Å; N325-Y361 WeakPolarHBondContact CA-OH 3.44Å
326H96.6Very high96.6Very high15 Ų1529.2 Ų29.27%0.06914%0.143CC..EExtended strand (participates in β ladder)trans-73.8139.8175.717957.8000112.9C328 I359 Y361 L378 F384H326-C328 PolarHBondContact NE2-N 3.44Å; H326-C328 PolarHBondContact NE2-SG 3.47Å; H326-I359 CarbonylContact C-O 3.41Å; H326-I359 VanDerWaalsContact CA-O 3.23Å; H326-I359 WeakPolarHBondContact CA-O 3.35Å; H326-I359 PolarHBondContact ND1-O 3.42Å; H326-Y361 HydrophobicContact CB-CD1 4.02Å; H326-Y361 HydrophobicContact CB-CD2 3.71Å; H326-Y361 HydrophobicContact CB-CE1 4.03Å; H326-Y361 HydrophobicContact CB-CE2 3.73Å; H326-Y361 HydrophobicContact CB-CG 3.85Å; H326-Y361 AromaticContact ND1-CG 3.96Å; H326-Y361 PolarHBondContact ND1-N 3.49Å; H326-L378 VanDerWaalsContact CD2-CD1 3.49Å; H326-L378 WeakPolarHBondContact CD2-CD1 3.33Å; H326-L378 WeakPolarHBondContact NE2-CD1 3.36Å; H326-F384 HydrophobicContact CB-CE1 4.38Å; H326-F384 HydrophobicContact CB-CE2 4.17Å; H326-F384 HydrophobicContact CB-CZ 3.52Å; H326-F384 AromaticContact CD2-CZ 3.79Å; H326-F384 AromaticContact CG-CZ 3.9Å
327S97.3Very high96.1Very high6 Ų632.6 Ų32.64%0.04217%0.166CC..  trans-133.5140.2155.3176.90000110S329 P330 T358 I359 C388S327-S329 PolarHBondContact O-N 2.8Å; S327-S329 PolarHBondContact OG-N 2.96Å; S327-S329 PolarHBondContact OG-O 2.82Å; S327-P330 WeakPolarHBondContact O-CD 3.49Å; S327-T358 WeakPolarHBondContact CB-OG1 3.05Å; S327-I359 PolarHBondContact N-O 2.99Å; S327-C388 WeakPolarHBondContact OG-CB 3.49Å
328C97Very high95.6Very high8 Ų833.1 Ų33.15%0.05417%0.172CC..SBendtrans-73.1-7.3170.3-88.50000112.6H326 R374 C388 K390H326-C328 PolarHBondContact NE2-N 3.44Å; H326-C328 PolarHBondContact NE2-SG 3.47Å; C328-R374 VanDerWaalsContact SG-CZ 3.56Å; C328-R374 PolarHBondContact SG-NH1 2.96Å; C328-C388 WeakPolarHBondContact CB-SG 3.22Å; C328-C388 PolarHBondContact N-SG 2.92Å; C328-C388 VanDerWaalsContact N-SG 3.4Å; C328-K390 HydrophobicContact CB-CB 4.28Å; C328-K390 HydrophobicContact CB-CD 4.33Å; C328-K390 WeakPolarHBondContact O-CD 3.39Å
329S95.9Very high95.4Very high68 Ų6835.2 Ų35.248%0.47619%0.185SC..SBendtrans-13474.4167.9179.90000107.1S327S327-S329 PolarHBondContact O-N 2.8Å; S327-S329 PolarHBondContact OG-N 2.96Å; S327-S329 PolarHBondContact OG-O 2.82Å
330P97.7Very high95.4Very high25 Ų2534.6 Ų34.616%0.16219%0.186CC..  trans-71.9154.6-172.432.3-36.3000112.1S327 L348 T358S327-P330 WeakPolarHBondContact O-CD 3.49Å; P330-L348 HydrophobicContact CG-CD1 4.24Å; P330-T358 VanDerWaalsContact CB-O 3.31Å; P330-T358 WeakPolarHBondContact CB-O 3.34Å
331N98.4Very high95.5Very high9 Ų930.4 Ų30.45%0.04817%0.17CC..SBendtrans-100.1-3.4172.561.78000112.7L348 I351 E355 E356 T358N331-L348 PolarHBondContact O-N 3.3Å; N331-I351 HydrophobicContact CB-CD1 4.15Å; N331-I351 HydrophobicContact CB-CG1 4.1Å; N331-E355 PolarHBondContact ND2-OE1 2.91Å; N331-E356 PolarHBondContact ND2-O 3.14Å; N331-T358 PolarHBondContact N-O 2.92Å; N331-T358 PolarHBondContact N-OG1 3.16Å; N331-T358 PolarHBondContact OD1-N 3.47Å; N331-T358 PolarHBondContact OD1-O 3.42Å; N331-T358 PolarHBondContact OD1-OG1 2.96Å
332A98.4Very high95.5Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-137.9164.5174.100000112.6L29 V345 V346 I357 T358 I359L29-A332 HydrophobicContact CD1-CB 4.37Å; A332-V345 HydrophobicContact CB-CG1 4.02Å; A332-V346 CarbonylContact C-O 3.53Å; A332-V346 WeakPolarHBondContact CA-O 3.5Å; A332-V346 WeakPolarHBondContact CB-O 3.17Å; A332-I357 HydrophobicContact CB-CG2 3.78Å; A332-T358 PolarHBondContact N-O 3.31Å; A332-I359 HydrophobicContact CB-CG2 4.15Å
333I97.6Very high95.7Very high69 Ų6932.9 Ų32.935%0.35418%0.175SC..EExtended strand (participates in β ladder)trans-136.7149.4177.8-169.3163.2000111.1R335 V346 L348I333-R335 HydrophobicContact CG2-CG 4.09Å; I333-V346 HydrophobicContact CG2-CB 4.18Å; I333-V346 PolarHBondContact N-O 3.11Å; I333-V346 PolarHBondContact O-N 3.05Å; I333-L348 HydrophobicContact CB-CD1 4.08Å; I333-L348 HydrophobicContact CB-CD2 3.92Å; I333-L348 HydrophobicContact CB-CG 3.96Å; I333-L348 HydrophobicContact CG2-CD2 3.58Å; I333-L348 HydrophobicContact CG2-CG 3.95Å
334I97.1Very high95.9Very high29 Ų2933.7 Ų33.715%0.14918%0.181CC..EExtended strand (participates in β ladder)trans-86.3125.3170.4-53.3-53.8000108.7Q321 F336 L343 V345 I359Q321-I334 HydrophobicContact CG-CD1 3.54Å; Q321-I334 HydrophobicContact CG-CG1 4.24Å; I334-F336 HydrophobicContact CG2-CD2 4.46Å; I334-F336 HydrophobicContact CG2-CE2 3.87Å; I334-F336 HydrophobicContact CG2-CZ 4.32Å; I334-L343 HydrophobicContact CG2-CB 3.94Å; I334-L343 HydrophobicContact CG2-CD2 4.04Å; I334-L343 HydrophobicContact CG2-CG 4.43Å; I334-V345 HydrophobicContact CD1-CB 4.45Å; I334-V345 HydrophobicContact CD1-CG1 4.4Å; I334-V345 HydrophobicContact CD1-CG2 3.7Å; I334-I359 HydrophobicContact CD1-CD1 4.04Å; I334-I359 HydrophobicContact CD1-CG2 4.07Å; I334-I359 HydrophobicContact CG1-CD1 4Å; I334-I359 HydrophobicContact CG1-CG2 4.36Å
335R95.4Very high95.9Very high103 Ų10333.7 Ų33.739%0.38918%0.181SC..EExtended strand (participates in β ladder)trans-119.4139.3173.5-61.7-163.5-177.9176.98.4110.8E26 I333 L343 S344 V346E26-R335 VanDerWaalsContact CD-NH2 3.31Å; E26-R335 IonicContact OE1-CZ 3.28Å; E26-R335 IonicContact OE1-NH2 2.93Å; E26-R335 PolarHBondContact OE1-NH2 3.31Å; E26-R335 IonicContact OE2-CZ 2.83Å; E26-R335 VanDerWaalsContact OE2-CZ 3.28Å; E26-R335 IonicContact OE2-NH1 3.57Å; E26-R335 PolarHBondContact OE2-NH1 2.92Å; E26-R335 IonicContact OE2-NH2 2.72Å; E26-R335 PolarHBondContact OE2-NH2 2.95Å; I333-R335 HydrophobicContact CG2-CG 4.09Å; R335-L343 CarbonylContact O-C 3.58Å; R335-L343 WeakPolarHBondContact O-CA 3.48Å; R335-S344 PolarHBondContact N-O 2.86Å; R335-S344 PolarHBondContact O-N 2.9Å; R335-V346 HydrophobicContact CB-CG2 4.31Å; R335-V346 HydrophobicContact CG-CB 4.49Å; R335-V346 HydrophobicContact CG-CG2 4.05Å
336F94.2Very high96Very high55 Ų5532.7 Ų32.724%0.24118%0.176CC..EExtended strand (participates in β ladder)trans-106.8148166.8-67.2-89.4000108.8Q262 G263 I264 I334 G338 R342 L343Q262-F336 HydrophobicContact CG-CE2 4.37Å; Q262-F336 HydrophobicContact CG-CZ 3.93Å; G263-F336 WeakPolarHBondContact O-CE2 3.39Å; G263-F336 WeakPolarHBondContact O-CZ 3.29Å; I264-F336 HydrophobicContact CB-CE1 4.47Å; I264-F336 HydrophobicContact CG1-CE1 4.01Å; I264-F336 HydrophobicContact CG1-CZ 4.06Å; I264-F336 HydrophobicContact CG2-CD1 4.49Å; I264-F336 HydrophobicContact CG2-CE1 4.22Å; I334-F336 HydrophobicContact CG2-CD2 4.46Å; I334-F336 HydrophobicContact CG2-CE2 3.87Å; I334-F336 HydrophobicContact CG2-CZ 4.32Å; F336-G338 PolarHBondContact O-N 3.31Å; F336-R342 WeakPolarHBondContact CD1-O 3.44Å; F336-L343 HydrophobicContact CD1-CB 4.15Å; F336-L343 HydrophobicContact CE1-CB 3.7Å; F336-L343 HydrophobicContact CZ-CB 3.9Å; F336-L343 HydrophobicContact CZ-CD2 4.47Å
337S88.4Confident96.1Very high71 Ų7132 Ų3250%0.49717%0.173SC..  trans-77.6-7.9172.752.50000113.1V339S337-V339 PolarHBondContact O-N 3.34Å; S337-V339 WeakPolarHBondContact OG-CG2 3.34Å
338G87.2Confident96.2Very high12 Ų1234.9 Ų34.912%0.12419%0.188CC..SBendtrans79.3-6.3-177.600000114.9T266 S267 F336T266-G338 WeakPolarHBondContact CA-O 3.37Å; T266-G338 VanDerWaalsContact CB-O 3.29Å; T266-G338 WeakPolarHBondContact CB-O 3.45Å; S267-G338 PolarHBondContact N-O 3.46Å; F336-G338 PolarHBondContact O-N 3.31Å
339V93.5Very high96.2Very high44 Ų4437.7 Ų37.727%0.26721%0.205SC..SBendtrans-95.5-20.7-177.9-55.30000113.8C56 F83 V271 S337C56-V339 WeakPolarHBondContact CA-O 3.36Å; C56-V339 VanDerWaalsContact CB-O 3.24Å; C56-V339 WeakPolarHBondContact CB-O 3.4Å; C56-V339 PolarHBondContact SG-O 2.77Å; F83-V339 HydrophobicContact CD2-CG1 4.2Å; F83-V339 HydrophobicContact CE2-CB 4.12Å; F83-V339 HydrophobicContact CE2-CG1 4.03Å; V271-V339 HydrophobicContact CG1-CG1 4.31Å; V271-V339 HydrophobicContact CG2-CG1 3.67Å; S337-V339 PolarHBondContact O-N 3.34Å; S337-V339 WeakPolarHBondContact OG-CG2 3.34Å
340N95.9Very high96.3Very high45 Ų4537 Ų3724%0.24120%0.2CC..SBendtrans-164.8-178179.961.227.9000110.6C54 C56 R342C54-N340 HydrophobicContact CB-CB 4.32Å; C54-N340 CarbonylContact O-C 3.18Å; C54-N340 WeakPolarHBondContact O-CA 3.29Å; C56-N340 HydrophobicContact CB-CB 4.39Å; N340-R342 PolarHBondContact O-N 3.09Å; N340-R342 WeakPolarHBondContact OD1-CB 3.29Å; N340-R342 PolarHBondContact OD1-N 2.95Å
341S97.4Very high96.4Very high4 Ų435.8 Ų35.83%0.02819%0.192CC..SBendtrans-74.64.3178.258.50000114.7P34 C54 Y318 L343P34-S341 WeakPolarHBondContact CG-OG 3.13Å; C54-S341 WeakPolarHBondContact CA-OG 3.25Å; C54-S341 WeakPolarHBondContact O-CB 3.4Å; C54-S341 PolarHBondContact O-N 2.91Å; C54-S341 PolarHBondContact O-OG 3.36Å; Y318-S341 WeakPolarHBondContact CE1-O 3.46Å; Y318-S341 PolarHBondContact OH-O 3.11Å; S341-L343 PolarHBondContact O-N 2.88Å
342R97.6Very high96.4Very high91 Ų9140.6 Ų40.634%0.34321%0.214SC..  trans-73.1126.5176.7-171.8-179.7-177.383.30.8109.9E32 D33 F336 N340E32-R342 WeakPolarHBondContact O-CG 3.26Å; D33-R342 WeakPolarHBondContact OD1-CB 3.13Å; D33-R342 VanDerWaalsContact OD1-CG 3.3Å; D33-R342 WeakPolarHBondContact OD1-CG 3.28Å; D33-R342 IonicContact OD1-CZ 3.16Å; D33-R342 IonicContact OD1-NH1 2.65Å; D33-R342 PolarHBondContact OD1-NH1 3.32Å; D33-R342 IonicContact OD2-NH1 2.96Å; D33-R342 PolarHBondContact OD2-NH1 3.26Å; F336-R342 WeakPolarHBondContact CD1-O 3.44Å; N340-R342 PolarHBondContact O-N 3.09Å; N340-R342 WeakPolarHBondContact OD1-CB 3.29Å; N340-R342 PolarHBondContact OD1-N 2.95Å
343L97.6Very high96.3Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-101.2160.3175.27075.2000111.8S31 E32 Q262 Y318 Q321 I334 R335 F336 S341 V345S31-L343 CarbonylContact C-O 3.57Å; S31-L343 WeakPolarHBondContact CA-O 3.43Å; S31-L343 WeakPolarHBondContact CB-O 3.18Å; E32-L343 HydrophobicContact CB-CD1 4.26Å; E32-L343 PolarHBondContact N-O 3.46Å; E32-L343 PolarHBondContact O-N 3.47Å; Q262-L343 HydrophobicContact CG-CD2 4.25Å; Y318-L343 HydrophobicContact CD1-CD2 3.31Å; Y318-L343 HydrophobicContact CD1-CG 3.63Å; Y318-L343 HydrophobicContact CD2-CD2 3.77Å; Y318-L343 HydrophobicContact CE1-CB 4.24Å; Y318-L343 HydrophobicContact CE1-CD2 3.46Å; Y318-L343 VanDerWaalsContact CE1-CD2 3.46Å; Y318-L343 HydrophobicContact CE1-CG 3.62Å; Y318-L343 HydrophobicContact CE2-CD2 3.93Å; Y318-L343 HydrophobicContact CG-CD2 3.47Å; Y318-L343 VanDerWaalsContact CG-CD2 3.47Å; Y318-L343 HydrophobicContact CG-CG 4.29Å; Q321-L343 HydrophobicContact CB-CD1 4.2Å; Q321-L343 HydrophobicContact CB-CD2 3.95Å; Q321-L343 HydrophobicContact CG-CD1 4.49Å; Q321-L343 HydrophobicContact CG-CD2 3.88Å; I334-L343 HydrophobicContact CG2-CB 3.94Å; I334-L343 HydrophobicContact CG2-CD2 4.04Å; I334-L343 HydrophobicContact CG2-CG 4.43Å; R335-L343 CarbonylContact O-C 3.58Å; R335-L343 WeakPolarHBondContact O-CA 3.48Å; F336-L343 HydrophobicContact CD1-CB 4.15Å; F336-L343 HydrophobicContact CE1-CB 3.7Å; F336-L343 HydrophobicContact CZ-CB 3.9Å; F336-L343 HydrophobicContact CZ-CD2 4.47Å; S341-L343 PolarHBondContact O-N 2.88Å; L343-V345 HydrophobicContact CD1-CG2 4.01Å
344S97.7Very high96.4Very high25 Ų2546.3 Ų46.318%0.17525%0.251CS..EExtended strand (participates in β ladder)trans-129.9137.3166.6-61.10000109.7F30 S31 R335F30-S344 WeakPolarHBondContact O-CA 3.16Å; S31-S344 PolarHBondContact OG-OG 3.26Å; R335-S344 PolarHBondContact N-O 2.86Å; R335-S344 PolarHBondContact O-N 2.9Å
345V98Very high96.4Very high0 Ų048.3 Ų48.30%026%0.26CS..EExtended strand (participates in β ladder)trans-94.1120.5171.4-172.70000107.6L29 F30 I324 A332 I334 L343L29-V345 HydrophobicContact CB-CB 4.29Å; L29-V345 HydrophobicContact CB-CG1 4.43Å; L29-V345 WeakPolarHBondContact CB-O 3.48Å; L29-V345 HydrophobicContact CD1-CG1 3.78Å; L29-V345 HydrophobicContact CG-CG1 4.21Å; L29-V345 PolarHBondContact N-O 3.1Å; F30-V345 HydrophobicContact CD1-CB 4.36Å; F30-V345 HydrophobicContact CD1-CG2 4.39Å; F30-V345 HydrophobicContact CD2-CG2 4.22Å; F30-V345 HydrophobicContact CE1-CB 4.04Å; F30-V345 HydrophobicContact CE1-CG2 3.79Å; F30-V345 HydrophobicContact CE2-CG2 3.6Å; F30-V345 HydrophobicContact CZ-CB 4.15Å; F30-V345 HydrophobicContact CZ-CG2 3.37Å; F30-V345 PolarHBondContact O-N 3.09Å; I324-V345 HydrophobicContact CD1-CB 4.44Å; I324-V345 HydrophobicContact CD1-CG1 3.82Å; I324-V345 HydrophobicContact CD1-CG2 3.83Å; A332-V345 HydrophobicContact CB-CG1 4.02Å; I334-V345 HydrophobicContact CD1-CB 4.45Å; I334-V345 HydrophobicContact CD1-CG1 4.4Å; I334-V345 HydrophobicContact CD1-CG2 3.7Å; L343-V345 HydrophobicContact CD1-CG2 4.01Å
346V98.2Very high96.5Very high8 Ų844.7 Ų44.75%0.04825%0.248CC..EExtended strand (participates in β ladder)trans-120.8133.9-172.3-175.90000109.5D27 I28 A332 I333 R335D27-V346 WeakPolarHBondContact O-CA 3.27Å; I28-V346 HydrophobicContact CG1-CG2 4.3Å; A332-V346 CarbonylContact C-O 3.53Å; A332-V346 WeakPolarHBondContact CA-O 3.5Å; A332-V346 WeakPolarHBondContact CB-O 3.17Å; I333-V346 HydrophobicContact CG2-CB 4.18Å; I333-V346 PolarHBondContact N-O 3.11Å; I333-V346 PolarHBondContact O-N 3.05Å; R335-V346 HydrophobicContact CB-CG2 4.31Å; R335-V346 HydrophobicContact CG-CB 4.49Å; R335-V346 HydrophobicContact CG-CG2 4.05Å
347A98.5Very high96.7Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-67.9131.8175.600000110.9I23 N24 E26 D27 L29 I351I23-A347 HydrophobicContact CG2-CB 3.91Å; N24-A347 WeakPolarHBondContact O-CB 3.49Å; E26-A347 WeakPolarHBondContact CA-O 3.5Å; E26-A347 PolarHBondContact N-O 3.5Å; D27-A347 PolarHBondContact O-N 2.79Å; L29-A347 HydrophobicContact CD2-CB 4.24Å; A347-I351 HydrophobicContact CB-CD1 4.04Å
348L98.3Very high97.2Very high67 Ų6739.5 Ų39.535%0.35122%0.218SC..SBendtrans-88.6-29.2173.3-71.9174.7000112P330 N331 I333P330-L348 HydrophobicContact CG-CD1 4.24Å; N331-L348 PolarHBondContact O-N 3.3Å; I333-L348 HydrophobicContact CB-CD1 4.08Å; I333-L348 HydrophobicContact CB-CD2 3.92Å; I333-L348 HydrophobicContact CB-CG 3.96Å; I333-L348 HydrophobicContact CG2-CD2 3.58Å; I333-L348 HydrophobicContact CG2-CG 3.95Å
349T97.8Very high97.7Very high67 Ų6739.1 Ų39.141%0.41121%0.213SC..SBendtrans-133.8171.4-178.262.40000109.2
350S98.2Very high97.8Very high53 Ų5338.4 Ų38.437%0.37121%0.209SC..  trans-60.6139.7163.9-60.40000109.7I23I23-S350 VanDerWaalsContact O-CA 3.28Å; I23-S350 WeakPolarHBondContact O-CA 3.32Å
351I98.3Very high97.8Very high0 Ų038.9 Ų38.90%021%0.208CC..BIsolated β-bridgetrans-125.1126.3179.1-53177.2000107.8A19 F22 I23 N331 A347 E355 I357A19-I351 HydrophobicContact CB-CG2 3.86Å; F22-I351 WeakPolarHBondContact CA-O 3.32Å; I23-I351 HydrophobicContact CB-CB 4.15Å; I23-I351 HydrophobicContact CD1-CB 4.39Å; I23-I351 PolarHBondContact N-O 2.85Å; I23-I351 PolarHBondContact O-N 3Å; N331-I351 HydrophobicContact CB-CD1 4.15Å; N331-I351 HydrophobicContact CB-CG1 4.1Å; A347-I351 HydrophobicContact CB-CD1 4.04Å; I351-E355 HydrophobicContact CG2-CB 3.78Å; I351-E355 HydrophobicContact CG2-CG 4.1Å; I351-I357 HydrophobicContact CD1-CD1 3.67Å; I351-I357 HydrophobicContact CG2-CD1 3.88Å
352Q98.3Very high97.6Very high109 Ų10939 Ų3951%0.50921%0.209SC..  trans-76.1153.4-179.2-59.7-59.3-3900111.5A19 G354 E355A19-Q352 WeakPolarHBondContact CB-O 3.48Å; Q352-G354 PolarHBondContact O-N 2.98Å; Q352-E355 HydrophobicContact CB-CB 4.23Å; Q352-E355 PolarHBondContact N-OE2 3.35Å; Q352-E355 WeakPolarHBondContact O-CB 3.42Å; Q352-E355 PolarHBondContact O-N 3.08Å
353E98.1Very high97.2Very high144 Ų14438.9 Ų38.967%0.67322%0.215SC*.THydrogen-bonded Turntrans-55132170.6-177.4179.6166.100110.7E355E353-E355 PolarHBondContact O-N 3.49Å
354G97.8Very high96.6Very high45 Ų4546.3 Ų46.346%0.46425%0.249SC..THydrogen-bonded Turntrans79.2-8.5-176.800000115A19 Q352A19-G354 PolarHBondContact O-N 2.9Å; Q352-G354 PolarHBondContact O-N 2.98Å
355E97.9Very high96.1Very high72 Ų7249.1 Ų49.134%0.33627%0.268SS..PPolyproline II helixtrans-69141.3173.1-169.4-174.5154.400110.5V18 A19 N331 I351 Q352 E353V18-E355 CarbonylContact C-O 3.55Å; V18-E355 VanDerWaalsContact CA-O 3.26Å; V18-E355 WeakPolarHBondContact CA-O 3.16Å; A19-E355 PolarHBondContact N-O 3.4Å; N331-E355 PolarHBondContact ND2-OE1 2.91Å; I351-E355 HydrophobicContact CG2-CB 3.78Å; I351-E355 HydrophobicContact CG2-CG 4.1Å; Q352-E355 HydrophobicContact CB-CB 4.23Å; Q352-E355 PolarHBondContact N-OE2 3.35Å; Q352-E355 WeakPolarHBondContact O-CB 3.42Å; Q352-E355 PolarHBondContact O-N 3.08Å; E353-E355 PolarHBondContact O-N 3.49Å
356E97.7Very high95.7Very high27 Ų2750.2 Ų50.213%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-73.5133.2178.8-174.7176.6178.400111.7F9 R13 L17 V18 N325 N331 T358F9-E356 HydrophobicContact CE2-CG 3.77Å; F9-E356 WeakPolarHBondContact CE2-OE1 3.45Å; F9-E356 HydrophobicContact CZ-CB 3.97Å; F9-E356 HydrophobicContact CZ-CG 3.73Å; R13-E356 IonicContact CZ-OE1 3.78Å; R13-E356 IonicContact CZ-OE2 3.77Å; R13-E356 IonicContact NH1-OE1 3.79Å; R13-E356 IonicContact NH1-OE2 2.65Å; R13-E356 PolarHBondContact NH1-OE2 3.49Å; R13-E356 IonicContact NH2-OE1 3.4Å; R13-E356 PolarHBondContact NH2-OE1 3.11Å; R13-E356 IonicContact NH2-OE2 2.7Å; R13-E356 PolarHBondContact NH2-OE2 3.38Å; L17-E356 WeakPolarHBondContact O-CA 3.33Å; V18-E356 HydrophobicContact CG1-CB 4.46Å; N325-E356 WeakPolarHBondContact CB-OE1 3.49Å; N325-E356 PolarHBondContact ND2-OE1 2.95Å; N331-E356 PolarHBondContact ND2-O 3.14Å; E356-T358 HydrophobicContact CG-CG2 4.13Å
357I98.3Very high95.3Very high0 Ų053 Ų530%029%0.286CS..EExtended strand (participates in β ladder)trans-76.9128.5170.9-49.5-54.7000108.2T4 L17 A19 I23 L29 I324 A332 I351T4-I357 HydrophobicContact CG2-CD1 4.43Å; T4-I357 HydrophobicContact CG2-CG1 3.99Å; L17-I357 HydrophobicContact CB-CB 4.19Å; L17-I357 HydrophobicContact CB-CG1 4.16Å; L17-I357 PolarHBondContact O-N 2.92Å; A19-I357 HydrophobicContact CB-CD1 4.24Å; I23-I357 HydrophobicContact CD1-CD1 4.3Å; L29-I357 HydrophobicContact CD1-CB 4.47Å; L29-I357 HydrophobicContact CD1-CD1 3.88Å; L29-I357 HydrophobicContact CD1-CG1 4.07Å; L29-I357 HydrophobicContact CD1-CG2 3.57Å; I324-I357 HydrophobicContact CG2-CG2 4.09Å; I324-I357 WeakPolarHBondContact CG2-O 3.35Å; A332-I357 HydrophobicContact CB-CG2 3.78Å; I351-I357 HydrophobicContact CD1-CD1 3.67Å; I351-I357 HydrophobicContact CG2-CD1 3.88Å
358T98.3Very high95Very high17 Ų1757.4 Ų57.410%0.10432%0.317CS..EExtended strand (participates in β ladder)trans-133.9144.5179.558.90000111.6N325 S327 P330 N331 A332 E356N325-T358 VanDerWaalsContact O-CA 3.23Å; N325-T358 WeakPolarHBondContact O-CA 3.3Å; N325-T358 WeakPolarHBondContact O-CB 3.41Å; S327-T358 WeakPolarHBondContact CB-OG1 3.05Å; P330-T358 VanDerWaalsContact CB-O 3.31Å; P330-T358 WeakPolarHBondContact CB-O 3.34Å; N331-T358 PolarHBondContact N-O 2.92Å; N331-T358 PolarHBondContact N-OG1 3.16Å; N331-T358 PolarHBondContact OD1-N 3.47Å; N331-T358 PolarHBondContact OD1-O 3.42Å; N331-T358 PolarHBondContact OD1-OG1 2.96Å; A332-T358 PolarHBondContact N-O 3.31Å; E356-T358 HydrophobicContact CG-CG2 4.13Å
359I97.7Very high94.7Very high3 Ų361.2 Ų61.22%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-123163.9175.758.4175.3000110.5I324 N325 H326 S327 A332 I334 Y361I324-I359 HydrophobicContact CB-CD1 4.11Å; I324-I359 HydrophobicContact CB-CG1 4.13Å; I324-I359 HydrophobicContact CG2-CB 4.25Å; I324-I359 HydrophobicContact CG2-CD1 4.26Å; I324-I359 HydrophobicContact CG2-CG1 3.77Å; I324-I359 HydrophobicContact CG2-CG2 3.9Å; N325-I359 PolarHBondContact O-N 3.24Å; H326-I359 CarbonylContact C-O 3.41Å; H326-I359 VanDerWaalsContact CA-O 3.23Å; H326-I359 WeakPolarHBondContact CA-O 3.35Å; H326-I359 PolarHBondContact ND1-O 3.42Å; S327-I359 PolarHBondContact N-O 2.99Å; A332-I359 HydrophobicContact CB-CG2 4.15Å; I334-I359 HydrophobicContact CD1-CD1 4.04Å; I334-I359 HydrophobicContact CD1-CG2 4.07Å; I334-I359 HydrophobicContact CG1-CD1 4Å; I334-I359 HydrophobicContact CG1-CG2 4.36Å; I359-Y361 HydrophobicContact CD1-CD1 4.24Å; I359-Y361 HydrophobicContact CD1-CE1 3.96Å; I359-Y361 HydrophobicContact CG1-CD1 3.99Å; I359-Y361 HydrophobicContact CG1-CE1 3.72Å
360S96.5Very high94.5Very high29 Ų2960.1 Ų60.120%0.20333%0.329CS..  trans-83.8133.5167.2-177.50000109.8L362 Q367S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 PolarHBondContact OG-N 3.2Å; S360-L362 PolarHBondContact OG-O 3.24Å; S360-L362 VanDerWaalsContact OG-O 3.05Å; S360-Q367 PolarHBondContact OG-NE2 2.94Å
361Y95.3Very high94.3Very high55 Ų5560.3 Ų60.322%0.21632%0.321CS..  trans-91.5-7.6167.8-63.6-3000111.3I324 N325 H326 I359 L378 Y382 F384I324-Y361 VanDerWaalsContact O-CE1 3.31Å; I324-Y361 WeakPolarHBondContact O-CE1 3.3Å; I324-Y361 PolarHBondContact O-OH 3.1Å; N325-Y361 WeakPolarHBondContact CA-OH 3.44Å; H326-Y361 HydrophobicContact CB-CD1 4.02Å; H326-Y361 HydrophobicContact CB-CD2 3.71Å; H326-Y361 HydrophobicContact CB-CE1 4.03Å; H326-Y361 HydrophobicContact CB-CE2 3.73Å; H326-Y361 HydrophobicContact CB-CG 3.85Å; H326-Y361 AromaticContact ND1-CG 3.96Å; H326-Y361 PolarHBondContact ND1-N 3.49Å; I359-Y361 HydrophobicContact CD1-CD1 4.24Å; I359-Y361 HydrophobicContact CD1-CE1 3.96Å; I359-Y361 HydrophobicContact CG1-CD1 3.99Å; I359-Y361 HydrophobicContact CG1-CE1 3.72Å; Y361-L378 HydrophobicContact CD2-CD2 4.48Å; Y361-Y382 AromaticContact CD2-CD1 3.65Å; Y361-Y382 HydrophobicContact CD2-CD1 3.65Å; Y361-Y382 HydrophobicContact CD2-CD2 4.05Å; Y361-Y382 AromaticContact CD2-CE1 3.73Å; Y361-Y382 HydrophobicContact CD2-CE1 3.73Å; Y361-Y382 HydrophobicContact CD2-CE2 4.11Å; Y361-Y382 AromaticContact CD2-CG 3.82Å; Y361-Y382 HydrophobicContact CD2-CG 3.82Å; Y361-Y382 AromaticContact CD2-CZ 3.96Å; Y361-Y382 AromaticContact CE2-CD1 3.95Å; Y361-Y382 HydrophobicContact CE2-CD1 3.95Å; Y361-Y382 HydrophobicContact CE2-CE1 4.26Å; Y361-Y382 HydrophobicContact CE2-CG 4.32Å; Y361-Y382 HydrophobicContact CG-CE1 4.31Å; Y361-Y382 HydrophobicContact CG-CE2 4.49Å; Y361-F384 HydrophobicContact CD2-CE1 4.17Å; Y361-F384 HydrophobicContact CD2-CZ 4.41Å; Y361-F384 HydrophobicContact CE2-CE1 4.09Å; Y361-F384 HydrophobicContact CE2-CZ 4.47Å
362L93.8Very high94.1Very high7 Ų767 Ų674%0.03735%0.352CS..SBendtrans-93139-177-59.3176.6000109.4S360 L366 Q367 R374 L378S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 PolarHBondContact OG-N 3.2Å; S360-L362 PolarHBondContact OG-O 3.24Å; S360-L362 VanDerWaalsContact OG-O 3.05Å; L362-L366 HydrophobicContact CB-CB 3.97Å; L362-L366 HydrophobicContact CD2-CB 4.17Å; L362-L366 HydrophobicContact CD2-CD1 4.18Å; L362-L366 HydrophobicContact CG-CB 4.48Å; L362-Q367 HydrophobicContact CB-CG 3.78Å; L362-Q367 PolarHBondContact O-NE2 3.23Å; L362-R374 HydrophobicContact CD1-CB 3.87Å; L362-R374 HydrophobicContact CD1-CG 3.72Å; L362-L378 HydrophobicContact CD1-CD1 4.43Å; L362-L378 HydrophobicContact CD2-CD2 3.78Å; L362-L378 HydrophobicContact CD2-CG 3.95Å; L362-L378 HydrophobicContact CG-CD2 4.18Å; L362-L378 HydrophobicContact CG-CG 4.49Å
363D88.6Confident93.9Very high89 Ų8964.6 Ų64.648%0.47635%0.345SS..  trans-62.9169.5166.666.751.9000111.8C365 L366 Q367D363-C365 VanDerWaalsContact C-N 3.27Å; D363-C365 PolarHBondContact O-N 3.14Å; D363-C365 WeakPolarHBondContact OD1-CA 3.45Å; D363-C365 VanDerWaalsContact OD1-CB 3.31Å; D363-C365 WeakPolarHBondContact OD1-CB 3.45Å; D363-C365 PolarHBondContact OD1-N 3.14Å; D363-L366 PolarHBondContact O-N 3.1Å; D363-L366 PolarHBondContact OD1-N 2.82Å; D363-Q367 VanDerWaalsContact O-CG 3.26Å; D363-Q367 WeakPolarHBondContact O-CG 3.34Å; D363-Q367 PolarHBondContact O-N 2.94Å
364H84.8Confident93.9Very high156 Ų15657.7 Ų57.772%0.72231%0.313SS*.Hα-helixtrans-58.4-38.2-177.8-180-93.4000112.9Q367H364-Q367 PolarHBondContact O-N 3.3Å
365C87.4Confident93.7Very high83 Ų8357.2 Ų57.256%0.56130%0.297SS*.Hα-helixtrans-68.4-39.7-179.8-67.40000111.8D363 S368 R369D363-C365 VanDerWaalsContact C-N 3.27Å; D363-C365 PolarHBondContact O-N 3.14Å; D363-C365 WeakPolarHBondContact OD1-CA 3.45Å; D363-C365 VanDerWaalsContact OD1-CB 3.31Å; D363-C365 WeakPolarHBondContact OD1-CB 3.45Å; D363-C365 PolarHBondContact OD1-N 3.14Å; C365-S368 PolarHBondContact O-OG 3.33Å; C365-R369 WeakPolarHBondContact O-CG 3.42Å
366L89.3Confident93.5Very high24 Ų2458.8 Ų58.813%0.12630%0.303CS..Hα-helixtrans-75-31.8177.4-73.9174000112.2L362 D363 S368 R369 R374L362-L366 HydrophobicContact CB-CB 3.97Å; L362-L366 HydrophobicContact CD2-CB 4.17Å; L362-L366 HydrophobicContact CD2-CD1 4.18Å; L362-L366 HydrophobicContact CG-CB 4.48Å; D363-L366 PolarHBondContact O-N 3.1Å; D363-L366 PolarHBondContact OD1-N 2.82Å; L366-S368 PolarHBondContact O-N 2.98Å; L366-R369 HydrophobicContact CD2-CG 4.46Å; L366-R369 WeakPolarHBondContact O-CB 3.4Å; L366-R369 PolarHBondContact O-N 3.21Å; L366-R369 VanDerWaalsContact O-N 3.11Å; L366-R374 VanDerWaalsContact O-CD 3.27Å; L366-R374 WeakPolarHBondContact O-CD 3.28Å; L366-R374 WeakPolarHBondContact O-CG 3.42Å
367Q91.1Very high93.3Very high66 Ų6659.7 Ų59.731%0.30831%0.307SS..Hα-helixtrans-61.5-29.8177.8-77.617962.200113.5S360 L362 D363 H364 K390S360-Q367 PolarHBondContact OG-NE2 2.94Å; L362-Q367 HydrophobicContact CB-CG 3.78Å; L362-Q367 PolarHBondContact O-NE2 3.23Å; D363-Q367 VanDerWaalsContact O-CG 3.26Å; D363-Q367 WeakPolarHBondContact O-CG 3.34Å; D363-Q367 PolarHBondContact O-N 2.94Å; H364-Q367 PolarHBondContact O-N 3.3Å; Q367-K390 PolarHBondContact O-NZ 3Å
368S90.9Very high93.1Very high92 Ų9259.7 Ų59.764%0.64331%0.307SS*.THydrogen-bonded Turntrans-83.3-13.2177.266.70000113.8C365 L366C365-S368 PolarHBondContact O-OG 3.33Å; L366-S368 PolarHBondContact O-N 2.98Å
369R92.7Very high92.8Very high147 Ų14759.4 Ų59.456%0.55531%0.305SS*.SBendtrans-73.2160177.7-59.3-62.5-176.6157.62.7112.2C365 L366 T373 R374C365-R369 WeakPolarHBondContact O-CG 3.42Å; L366-R369 HydrophobicContact CD2-CG 4.46Å; L366-R369 WeakPolarHBondContact O-CB 3.4Å; L366-R369 PolarHBondContact O-N 3.21Å; L366-R369 VanDerWaalsContact O-N 3.11Å; R369-T373 HydrophobicContact CB-CG2 3.98Å; R369-T373 HydrophobicContact CG-CG2 4.14Å; R369-R374 HydrophobicContact CB-CG 4.3Å; R369-R374 VanDerWaalsContact O-CD 3.31Å; R369-R374 WeakPolarHBondContact O-CD 3.21Å; R369-R374 PolarHBondContact O-NE 2.83Å; R369-R374 VanDerWaalsContact O-NE 3.15Å
370G92.6Very high92.5Very high44 Ų4461 Ų6145%0.45432%0.317SS..  trans-63.1165.6178.500000113.9H372 T373 R374G370-H372 VanDerWaalsContact C-N 3.27Å; G370-H372 PolarHBondContact O-N 3.28Å; G370-T373 PolarHBondContact O-N 3.29Å; G370-R374 WeakPolarHBondContact O-CG 3.35Å; G370-R374 PolarHBondContact O-N 3.27Å
371R94.9Very high92.2Very high57 Ų5761.5 Ų61.522%0.21532%0.317CS..Hα-helixtrans-47.7-47.1179.7-165.2-179.6175.1-87.61.4113.5R375 C391 E394R371-R375 VanDerWaalsContact O-CB 3.32Å; R371-R375 WeakPolarHBondContact O-CB 3.47Å; R371-R375 WeakPolarHBondContact O-CG 3.48Å; R371-R375 PolarHBondContact O-N 2.9Å; R371-C391 WeakPolarHBondContact CD-O 3.22Å; R371-C391 PolarHBondContact NE-O 3.02Å; R371-E394 VanDerWaalsContact CA-OE2 3.28Å; R371-E394 WeakPolarHBondContact CA-OE2 3.21Å; R371-E394 HydrophobicContact CB-CB 4.12Å; R371-E394 WeakPolarHBondContact CB-OE2 3.34Å; R371-E394 HydrophobicContact CG-CB 4.37Å; R371-E394 PolarHBondContact N-OE2 2.88Å
372H93.8Very high92Very high140 Ų14061 Ų6165%0.64832%0.316SS*.Hα-helixtrans-61.9-56.4-175.5178.787.8000111G370 R374 R375 K376G370-H372 VanDerWaalsContact C-N 3.27Å; G370-H372 PolarHBondContact O-N 3.28Å; H372-R374 VanDerWaalsContact C-N 3.34Å; H372-R374 PolarHBondContact O-N 3.28Å; H372-R375 PolarHBondContact O-N 3.15Å; H372-K376 WeakPolarHBondContact O-CB 3.34Å; H372-K376 PolarHBondContact O-N 2.68Å
373T94.9Very high91.9Very high59 Ų5961.1 Ų61.136%0.36232%0.316SS..Hα-helixtrans-55.7-46.4-179.4-47.30000112R369 G370 K376 H377R369-T373 HydrophobicContact CB-CG2 3.98Å; R369-T373 HydrophobicContact CG-CG2 4.14Å; G370-T373 PolarHBondContact O-N 3.29Å; T373-K376 PolarHBondContact O-N 3.4Å; T373-H377 PolarHBondContact O-N 3.5Å
374R96.9Very high92Very high0 Ų059.3 Ų59.30%030%0.304CS..Hα-helixtrans-62.5-46.7178.2-67.1-173.7-59.7163.11.9112.1C328 L362 L366 R369 G370 H372 H377 L378 K390 E394C328-R374 VanDerWaalsContact SG-CZ 3.56Å; C328-R374 PolarHBondContact SG-NH1 2.96Å; L362-R374 HydrophobicContact CD1-CB 3.87Å; L362-R374 HydrophobicContact CD1-CG 3.72Å; L366-R374 VanDerWaalsContact O-CD 3.27Å; L366-R374 WeakPolarHBondContact O-CD 3.28Å; L366-R374 WeakPolarHBondContact O-CG 3.42Å; R369-R374 HydrophobicContact CB-CG 4.3Å; R369-R374 VanDerWaalsContact O-CD 3.31Å; R369-R374 WeakPolarHBondContact O-CD 3.21Å; R369-R374 PolarHBondContact O-NE 2.83Å; R369-R374 VanDerWaalsContact O-NE 3.15Å; G370-R374 WeakPolarHBondContact O-CG 3.35Å; G370-R374 PolarHBondContact O-N 3.27Å; H372-R374 VanDerWaalsContact C-N 3.34Å; H372-R374 PolarHBondContact O-N 3.28Å; R374-H377 PolarHBondContact O-N 3.45Å; R374-L378 WeakPolarHBondContact O-CB 3.38Å; R374-L378 WeakPolarHBondContact O-CD1 3.41Å; R374-L378 VanDerWaalsContact O-CG 3.23Å; R374-L378 WeakPolarHBondContact O-CG 3.21Å; R374-L378 PolarHBondContact O-N 3.15Å; R374-K390 VanDerWaalsContact NH1-CD 3.29Å; R374-K390 VanDerWaalsContact NH1-NZ 3.17Å; R374-E394 IonicContact CZ-OE1 2.9Å; R374-E394 IonicContact CZ-OE2 2.94Å; R374-E394 IonicContact NH2-OE1 2.72Å; R374-E394 PolarHBondContact NH2-OE1 2.78Å; R374-E394 IonicContact NH2-OE2 3.95Å; R374-E394 PolarHBondContact NH2-OE2 3.47Å
375R94.8Very high92.3Very high34 Ų3456.3 Ų56.313%0.12829%0.286CS..Hα-helixtrans-64.9-39.7178.2-84-179.863.6127-6.2112.3R371 H372 L378 S379 W385 C386 N387R371-R375 VanDerWaalsContact O-CB 3.32Å; R371-R375 WeakPolarHBondContact O-CB 3.47Å; R371-R375 WeakPolarHBondContact O-CG 3.48Å; R371-R375 PolarHBondContact O-N 2.9Å; H372-R375 PolarHBondContact O-N 3.15Å; R375-L378 PolarHBondContact O-N 3.4Å; R375-S379 VanDerWaalsContact O-CB 3.25Å; R375-S379 WeakPolarHBondContact O-CB 3.29Å; R375-S379 PolarHBondContact O-N 2.95Å; R375-S379 PolarHBondContact O-OG 2.95Å; R375-S379 VanDerWaalsContact O-OG 3.07Å; R375-W385 HydrophobicContact CB-CE3 3.79Å; R375-W385 HydrophobicContact CB-CZ3 3.83Å; R375-W385 HydrophobicContact CG-CE3 4.23Å; R375-W385 VanDerWaalsContact NH2-CE3 3.3Å; R375-W385 VanDerWaalsContact NH2-CG 3.35Å; R375-C386 HydrophobicContact CG-CB 4.47Å; R375-C386 PolarHBondContact NH1-O 3.45Å; R375-N387 PolarHBondContact NH1-OD1 3.37Å
376K93.6Very high92.6Very high105 Ų10552.5 Ų52.546%0.45726%0.261SS..Hα-helixtrans-57.4-53.6173.9-175.7178.2179-177.90109.7H372 T373 L378 S379 S380H372-K376 WeakPolarHBondContact O-CB 3.34Å; H372-K376 PolarHBondContact O-N 2.68Å; T373-K376 PolarHBondContact O-N 3.4Å; K376-L378 PolarHBondContact O-N 2.89Å; K376-S379 PolarHBondContact O-N 3.19Å; K376-S379 PolarHBondContact O-OG 3.18Å; K376-S380 PolarHBondContact O-N 3.33Å; K376-S380 PolarHBondContact O-OG 3.21Å; K376-S380 VanDerWaalsContact O-OG 3.12Å
377H92.8Very high92.8Very high47 Ų4756 Ų5622%0.21828%0.28CS..Hα-helixtrans-57.6-48.3178-176.190000112.9T373 R374 S379 S380 N381T373-H377 PolarHBondContact O-N 3.5Å; R374-H377 PolarHBondContact O-N 3.45Å; H377-S379 VanDerWaalsContact C-N 3.34Å; H377-S379 PolarHBondContact O-N 3.43Å; H377-S380 PolarHBondContact O-N 3.36Å; H377-N381 PolarHBondContact O-N 2.92Å; H377-N381 VanDerWaalsContact O-N 3.1Å; H377-N381 PolarHBondContact O-ND2 2.92Å
378L94.5Very high93Very high0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-64-38.7178.7-66.8164.4000112.2H326 Y361 L362 R374 R375 K376 Y382 L383 F384 C386H326-L378 VanDerWaalsContact CD2-CD1 3.49Å; H326-L378 WeakPolarHBondContact CD2-CD1 3.33Å; H326-L378 WeakPolarHBondContact NE2-CD1 3.36Å; Y361-L378 HydrophobicContact CD2-CD2 4.48Å; L362-L378 HydrophobicContact CD1-CD1 4.43Å; L362-L378 HydrophobicContact CD2-CD2 3.78Å; L362-L378 HydrophobicContact CD2-CG 3.95Å; L362-L378 HydrophobicContact CG-CD2 4.18Å; L362-L378 HydrophobicContact CG-CG 4.49Å; R374-L378 WeakPolarHBondContact O-CB 3.38Å; R374-L378 WeakPolarHBondContact O-CD1 3.41Å; R374-L378 VanDerWaalsContact O-CG 3.23Å; R374-L378 WeakPolarHBondContact O-CG 3.21Å; R374-L378 PolarHBondContact O-N 3.15Å; R375-L378 PolarHBondContact O-N 3.4Å; K376-L378 PolarHBondContact O-N 2.89Å; L378-Y382 HydrophobicContact CD2-CD2 4.01Å; L378-Y382 HydrophobicContact CD2-CE2 4.44Å; L378-Y382 CarbonylContact O-C 3.5Å; L378-Y382 WeakPolarHBondContact O-CA 3.26Å; L378-Y382 WeakPolarHBondContact O-CB 3.41Å; L378-Y382 PolarHBondContact O-N 3.19Å; L378-L383 PolarHBondContact O-N 2.59Å; L378-F384 HydrophobicContact CB-CE1 4.35Å; L378-F384 HydrophobicContact CB-CZ 4.1Å; L378-F384 HydrophobicContact CD1-CE2 4.41Å; L378-F384 HydrophobicContact CD1-CZ 4.22Å; L378-F384 HydrophobicContact CD2-CE1 4.26Å; L378-F384 HydrophobicContact CD2-CZ 3.85Å; L378-F384 HydrophobicContact CG-CZ 4.27Å; L378-C386 HydrophobicContact CD1-CB 3.77Å
379S92.4Very high93.2Very high10 Ų1053.4 Ų53.47%0.0727%0.267CS..Hα-helixtrans-67.9-38.4178.366.90000112.3R375 K376 H377 L383 F384R375-S379 VanDerWaalsContact O-CB 3.25Å; R375-S379 WeakPolarHBondContact O-CB 3.29Å; R375-S379 PolarHBondContact O-N 2.95Å; R375-S379 PolarHBondContact O-OG 2.95Å; R375-S379 VanDerWaalsContact O-OG 3.07Å; K376-S379 PolarHBondContact O-N 3.19Å; K376-S379 PolarHBondContact O-OG 3.18Å; H377-S379 VanDerWaalsContact C-N 3.34Å; H377-S379 PolarHBondContact O-N 3.43Å; S379-L383 WeakPolarHBondContact O-CA 3.28Å; S379-L383 WeakPolarHBondContact O-CD2 3.42Å; S379-L383 PolarHBondContact O-N 3.25Å; S379-F384 WeakPolarHBondContact CA-O 3.46Å; S379-F384 PolarHBondContact N-O 2.86Å
380S90.6Very high93.3Very high38 Ų3849.3 Ų49.327%0.26625%0.253SS..Hα-helixtrans-73.3-36.8-180-59.10000113.3Q195 K376 H377Q195-S380 PolarHBondContact N-O 2.94Å; K376-S380 PolarHBondContact O-N 3.33Å; K376-S380 PolarHBondContact O-OG 3.21Å; K376-S380 VanDerWaalsContact O-OG 3.12Å; H377-S380 PolarHBondContact O-N 3.36Å
381N90.3Very high93.5Very high38 Ų3847.2 Ų47.220%0.20323%0.231CC..Hα-helixtrans-99.3-33.7-173-66.7-79.1000113.3H194 R259 H377H194-N381 PolarHBondContact CD2-O 3.34Å; H194-N381 PolarHBondContact NE2-O 3.13Å; R259-N381 WeakPolarHBondContact CG-O 3.46Å; H377-N381 PolarHBondContact O-N 2.92Å; H377-N381 VanDerWaalsContact O-N 3.1Å; H377-N381 PolarHBondContact O-ND2 2.92Å
382Y91.7Very high93.5Very high46 Ų4647.6 Ų47.618%0.1824%0.235CC..Hα-helixtrans-118.3-4.7-174-61.5-84.1000114R259 Y361 L378 F384R259-Y382 PolarHBondContact NH2-O 3.37Å; Y361-Y382 AromaticContact CD2-CD1 3.65Å; Y361-Y382 HydrophobicContact CD2-CD1 3.65Å; Y361-Y382 HydrophobicContact CD2-CD2 4.05Å; Y361-Y382 AromaticContact CD2-CE1 3.73Å; Y361-Y382 HydrophobicContact CD2-CE1 3.73Å; Y361-Y382 HydrophobicContact CD2-CE2 4.11Å; Y361-Y382 AromaticContact CD2-CG 3.82Å; Y361-Y382 HydrophobicContact CD2-CG 3.82Å; Y361-Y382 AromaticContact CD2-CZ 3.96Å; Y361-Y382 AromaticContact CE2-CD1 3.95Å; Y361-Y382 HydrophobicContact CE2-CD1 3.95Å; Y361-Y382 HydrophobicContact CE2-CE1 4.26Å; Y361-Y382 HydrophobicContact CE2-CG 4.32Å; Y361-Y382 HydrophobicContact CG-CE1 4.31Å; Y361-Y382 HydrophobicContact CG-CE2 4.49Å; L378-Y382 HydrophobicContact CD2-CD2 4.01Å; L378-Y382 HydrophobicContact CD2-CE2 4.44Å; L378-Y382 CarbonylContact O-C 3.5Å; L378-Y382 WeakPolarHBondContact O-CA 3.26Å; L378-Y382 WeakPolarHBondContact O-CB 3.41Å; L378-Y382 PolarHBondContact O-N 3.19Å; Y382-F384 VanDerWaalsContact CB-CE1 3.41Å; Y382-F384 HydrophobicContact CG-CE1 4.2Å
383L91.2Very high93.6Very high8 Ų848.6 Ų48.64%0.04223%0.233CC..SBendtrans63.938.1173.8-50-173.3000115.2A184 L192 H194 L378 S379A184-L383 HydrophobicContact CB-CB 3.74Å; A184-L383 HydrophobicContact CB-CD1 4.35Å; A184-L383 WeakPolarHBondContact CB-O 3.34Å; L192-L383 HydrophobicContact CB-CB 4.49Å; L192-L383 HydrophobicContact CB-CD2 3.85Å; L192-L383 HydrophobicContact CD1-CB 4.39Å; H194-L383 HydrophobicContact CB-CD1 4.37Å; H194-L383 HydrophobicContact CB-CD2 4.23Å; L378-L383 PolarHBondContact O-N 2.59Å; S379-L383 WeakPolarHBondContact O-CA 3.28Å; S379-L383 WeakPolarHBondContact O-CD2 3.42Å; S379-L383 PolarHBondContact O-N 3.25Å
384F91.4Very high93.5Very high52 Ų5248.2 Ų48.223%0.22823%0.227CC..  trans-144.6163.3173.474.8-86.7000112.6H326 Y361 L378 S379 Y382 C386H326-F384 HydrophobicContact CB-CE1 4.38Å; H326-F384 HydrophobicContact CB-CE2 4.17Å; H326-F384 HydrophobicContact CB-CZ 3.52Å; H326-F384 AromaticContact CD2-CZ 3.79Å; H326-F384 AromaticContact CG-CZ 3.9Å; Y361-F384 HydrophobicContact CD2-CE1 4.17Å; Y361-F384 HydrophobicContact CD2-CZ 4.41Å; Y361-F384 HydrophobicContact CE2-CE1 4.09Å; Y361-F384 HydrophobicContact CE2-CZ 4.47Å; L378-F384 HydrophobicContact CB-CE1 4.35Å; L378-F384 HydrophobicContact CB-CZ 4.1Å; L378-F384 HydrophobicContact CD1-CE2 4.41Å; L378-F384 HydrophobicContact CD1-CZ 4.22Å; L378-F384 HydrophobicContact CD2-CE1 4.26Å; L378-F384 HydrophobicContact CD2-CZ 3.85Å; L378-F384 HydrophobicContact CG-CZ 4.27Å; S379-F384 WeakPolarHBondContact CA-O 3.46Å; S379-F384 PolarHBondContact N-O 2.86Å; Y382-F384 VanDerWaalsContact CB-CE1 3.41Å; Y382-F384 HydrophobicContact CG-CE1 4.2Å; F384-C386 HydrophobicContact CE2-CB 3.93Å
385W90.5Very high93.3Very high92 Ų9253.6 Ų53.635%0.34825%0.251SS..  trans-101.3119169.6-68.2112.9000110.9I186 R375 N387I186-W385 HydrophobicContact CD1-CZ2 4.42Å; I186-W385 VanDerWaalsContact CG2-CD1 3.5Å; R375-W385 HydrophobicContact CB-CE3 3.79Å; R375-W385 HydrophobicContact CB-CZ3 3.83Å; R375-W385 HydrophobicContact CG-CE3 4.23Å; R375-W385 VanDerWaalsContact NH2-CE3 3.3Å; R375-W385 VanDerWaalsContact NH2-CG 3.35Å; W385-N387 PolarHBondContact O-N 2.95Å
386C94.1Very high93Very high4 Ų457 Ų573%0.02727%0.27CS..  trans-68.6126.9173.6-169.20000111.1R375 L378 F384 C388 C391R375-C386 HydrophobicContact CG-CB 4.47Å; R375-C386 PolarHBondContact NH1-O 3.45Å; L378-C386 HydrophobicContact CD1-CB 3.77Å; F384-C386 HydrophobicContact CE2-CB 3.93Å; C386-C388 VanDerWaalsContact SG-SG 3.64Å; C386-C391 VanDerWaalsContact SG-SG 3.65Å
387N93Very high92.6Very high98 Ų9856.2 Ų56.252%0.52427%0.271SS..  trans-124.629.7174.3-58.3-37.9000110.7R375 W385 E392R375-N387 PolarHBondContact NH1-OD1 3.37Å; W385-N387 PolarHBondContact O-N 2.95Å; N387-E392 WeakPolarHBondContact CB-OE1 3.41Å
388C95.5Very high91.9Very high15 Ų1555.6 Ų55.610%0.10128%0.278CS..SBendtrans-66.7169.7178.280.40000111.4S327 C328 C386 K390 C391 E392S327-C388 WeakPolarHBondContact OG-CB 3.49Å; C328-C388 WeakPolarHBondContact CB-SG 3.22Å; C328-C388 PolarHBondContact N-SG 2.92Å; C328-C388 VanDerWaalsContact N-SG 3.4Å; C386-C388 VanDerWaalsContact SG-SG 3.64Å; C388-K390 VanDerWaalsContact C-N 3.26Å; C388-K390 PolarHBondContact O-N 3.28Å; C388-K390 VanDerWaalsContact O-N 3.1Å; C388-C391 PolarHBondContact O-N 3.45Å; C388-E392 PolarHBondContact O-N 3.34Å
389P94.6Very high90.9Very high88 Ų8859 Ų5957%0.57131%0.306SS*.Hα-helixtrans-53.4-36-178.2-29.136.4000115.1R393P389-R393 WeakPolarHBondContact O-CB 3.3Å; P389-R393 PolarHBondContact O-N 3.26Å; P389-R393 VanDerWaalsContact O-N 3.09Å
390K95.8Very high89.7Confident61 Ų6164.5 Ų64.527%0.26533%0.334SS..Hα-helixtrans-66.9-44.2175.3-178.1171.7175.4-169.50111.4C328 Q367 R374 C388 R393 E394C328-K390 HydrophobicContact CB-CB 4.28Å; C328-K390 HydrophobicContact CB-CD 4.33Å; C328-K390 WeakPolarHBondContact O-CD 3.39Å; Q367-K390 PolarHBondContact O-NZ 3Å; R374-K390 VanDerWaalsContact NH1-CD 3.29Å; R374-K390 VanDerWaalsContact NH1-NZ 3.17Å; C388-K390 VanDerWaalsContact C-N 3.26Å; C388-K390 PolarHBondContact O-N 3.28Å; C388-K390 VanDerWaalsContact O-N 3.1Å; K390-R393 PolarHBondContact O-N 3.2Å; K390-E394 WeakPolarHBondContact CE-OE1 3.19Å; K390-E394 WeakPolarHBondContact CG-OE1 2.99Å; K390-E394 WeakPolarHBondContact O-CG 3.46Å; K390-E394 PolarHBondContact O-N 2.86Å; K390-E394 VanDerWaalsContact O-N 3.08Å
391C96.1Very high88.1Confident0 Ų066.7 Ų66.70%035%0.349CS..Hα-helixtrans-68.5-34.4178.6-670000113R371 C386 C388 K395R371-C391 WeakPolarHBondContact CD-O 3.22Å; R371-C391 PolarHBondContact NE-O 3.02Å; C386-C391 VanDerWaalsContact SG-SG 3.65Å; C388-C391 PolarHBondContact O-N 3.45Å; C391-K395 WeakPolarHBondContact O-CB 3.21Å; C391-K395 PolarHBondContact O-N 2.74Å
392E95.3Very high86.2Confident65 Ų6570 Ų7030%0.30437%0.371SS..Hα-helixtrans-71.6-39.2176-70.5-54.8135.600111.9N387 C388 K395 I396N387-E392 WeakPolarHBondContact CB-OE1 3.41Å; C388-E392 PolarHBondContact O-N 3.34Å; E392-K395 WeakPolarHBondContact O-CB 3.4Å; E392-K395 PolarHBondContact O-N 3.32Å; E392-I396 PolarHBondContact O-N 3.43Å
393R94.9Very high83.9Confident160 Ų16074.5 Ų74.560%0.60440%0.403SS*.Hα-helixtrans-61.6-51.4174.9-164.3-171.2-45.5-178.85.4112P389 K390 K395 I396 D397P389-R393 WeakPolarHBondContact O-CB 3.3Å; P389-R393 PolarHBondContact O-N 3.26Å; P389-R393 VanDerWaalsContact O-N 3.09Å; K390-R393 PolarHBondContact O-N 3.2Å; R393-K395 PolarHBondContact O-N 3.28Å; R393-I396 PolarHBondContact O-N 3.14Å; R393-D397 PolarHBondContact O-N 3.33Å
394E94.6Very high81.5Confident51 Ų5178.1 Ų78.124%0.23843%0.429CS..Hα-helixtrans-62.3-26.3178.4-71.8169.4-163.700113R371 R374 K390 G398R371-E394 VanDerWaalsContact CA-OE2 3.28Å; R371-E394 WeakPolarHBondContact CA-OE2 3.21Å; R371-E394 HydrophobicContact CB-CB 4.12Å; R371-E394 WeakPolarHBondContact CB-OE2 3.34Å; R371-E394 HydrophobicContact CG-CB 4.37Å; R371-E394 PolarHBondContact N-OE2 2.88Å; R374-E394 IonicContact CZ-OE1 2.9Å; R374-E394 IonicContact CZ-OE2 2.94Å; R374-E394 IonicContact NH2-OE1 2.72Å; R374-E394 PolarHBondContact NH2-OE1 2.78Å; R374-E394 IonicContact NH2-OE2 3.95Å; R374-E394 PolarHBondContact NH2-OE2 3.47Å; K390-E394 WeakPolarHBondContact CE-OE1 3.19Å; K390-E394 WeakPolarHBondContact CG-OE1 2.99Å; K390-E394 WeakPolarHBondContact O-CG 3.46Å; K390-E394 PolarHBondContact O-N 2.86Å; K390-E394 VanDerWaalsContact O-N 3.08Å; E394-G398 PolarHBondContact O-N 2.87Å
395K91.7Very high78.8Confident113 Ų11380.1 Ų80.149%0.49145%0.45SS..Hα-helixtrans-67.1-41.9173.7-175-171.3175.8-171.50111.4C391 E392 R393 A399C391-K395 WeakPolarHBondContact O-CB 3.21Å; C391-K395 PolarHBondContact O-N 2.74Å; E392-K395 WeakPolarHBondContact O-CB 3.4Å; E392-K395 PolarHBondContact O-N 3.32Å; R393-K395 PolarHBondContact O-N 3.28Å; K395-A399 WeakPolarHBondContact O-CB 3.37Å; K395-A399 PolarHBondContact O-N 3.39Å
396I89.1Confident76.1Confident105 Ų10580.9 Ų80.954%0.53847%0.469SS..Hα-helixtrans-70-47178.7-64167.1000109.7E392 R393 G398 A399 L400E392-I396 PolarHBondContact O-N 3.43Å; R393-I396 PolarHBondContact O-N 3.14Å; I396-G398 PolarHBondContact O-N 3.12Å; I396-A399 PolarHBondContact O-N 3.03Å; I396-L400 HydrophobicContact CG2-CD1 4.16Å; I396-L400 WeakPolarHBondContact O-CG 3.25Å; I396-L400 PolarHBondContact O-N 2.81Å; I396-L400 VanDerWaalsContact O-N 3.09Å
397D85.2Confident73.4Confident89 Ų8988.7 Ų88.748%0.47651%0.505SS..Hα-helixtrans-62.8-42.2-179.6-62.7-23.3000111.7R393 A399 L400 S401R393-D397 PolarHBondContact O-N 3.33Å; D397-A399 PolarHBondContact O-N 3.36Å; D397-L400 PolarHBondContact O-N 2.71Å; D397-S401 PolarHBondContact O-N 3.41Å
398G78.4Confident70.6Confident34 Ų3492 Ų9235%0.35152%0.522SS..Hα-helixtrans-61.9-41.4174.600000112.6E394 I396 L400 S401 V402E394-G398 PolarHBondContact O-N 2.87Å; I396-G398 PolarHBondContact O-N 3.12Å; G398-L400 VanDerWaalsContact C-N 3.27Å; G398-L400 PolarHBondContact O-N 3.41Å; G398-S401 PolarHBondContact O-N 2.81Å; G398-V402 WeakPolarHBondContact O-CG2 3.49Å; G398-V402 PolarHBondContact O-N 3.08Å
399A73Confident67.9Low72 Ų7296.8 Ų96.860%0.59555%0.547SS*.Hα-helixtrans-64.8-30.4176.400000113K395 I396 D397K395-A399 WeakPolarHBondContact O-CB 3.37Å; K395-A399 PolarHBondContact O-N 3.39Å; I396-A399 PolarHBondContact O-N 3.03Å; D397-A399 PolarHBondContact O-N 3.36Å
400L66.9Low64.9Low125 Ų125101.9 Ų101.965%0.65456%0.564SS**Hα-helixtrans-76-25.3176-69.1168.5000112.9I396 D397 G398I396-L400 HydrophobicContact CG2-CD1 4.16Å; I396-L400 WeakPolarHBondContact O-CG 3.25Å; I396-L400 PolarHBondContact O-N 2.81Å; I396-L400 VanDerWaalsContact O-N 3.09Å; D397-L400 PolarHBondContact O-N 2.71Å; G398-L400 VanDerWaalsContact C-N 3.27Å; G398-L400 PolarHBondContact O-N 3.41Å
401S57.4Low62.1Low85 Ų85104.2 Ų104.259%0.59458%0.579SS**Hα-helixtrans-82-17.6178101.80000113.8D397 G398 T403 S404D397-S401 PolarHBondContact O-N 3.41Å; G398-S401 PolarHBondContact O-N 2.81Å; S401-T403 PolarHBondContact O-N 2.86Å; S401-S404 PolarHBondContact O-N 3.25Å
402V50.7Low58.9Low107 Ų107107.6 Ų107.665%0.64861%0.614SS**THydrogen-bonded Turntrans-75.510.3-176.2-144.30000114.1G398 S404G398-V402 WeakPolarHBondContact O-CG2 3.49Å; G398-V402 PolarHBondContact O-N 3.08Å; V402-S404 PolarHBondContact O-N 3.49Å
403T42.2Very low56Low140 Ų140110.3 Ų110.386%0.85963%0.63SS**THydrogen-bonded Turntrans-77.28.6161.756.60000113.2S401S401-T403 PolarHBondContact O-N 2.86Å
404S40.3Very low52.7Low84 Ų84109.5 Ų109.559%0.58764%0.638SS**SBendtrans-140.3110.1170.3-174.80000111.5S401 V402S401-S404 PolarHBondContact O-N 3.25Å; V402-S404 PolarHBondContact O-N 3.49Å
405S35.7Very low49.9Very low95 Ų95115.9 Ų115.966%0.66466%0.661SS**  trans53.4112.4150.8570000120.9
406S34.3Very low47Very low108 Ų108112.6 Ų112.676%0.75566%0.659SS**  trans1.8117.9138.254.60000118.8
407E36.8Very low44.2Very low168 Ų168111.6 Ų111.679%0.78566%0.658SS**  trans-150107146.2-104160.1-150.800107.2D409E407-D409 PolarHBondContact O-N 2.67Å
408D35.2Very low41.5Very low166 Ų166116.2 Ų116.289%0.88868%0.677SS**  trans-78.696.8167.7-74.4-49.2000106.9E410D408-E410 PolarHBondContact O-N 2.7Å
409D38.3Very low39.1Very low116 Ų116121.4 Ų121.462%0.6269%0.692SS**  trans-86.2105.7178.4-72.4-35.7000111.2E407 D411E407-D409 PolarHBondContact O-N 2.67Å; D409-D411 PolarHBondContact O-N 2.97Å
410E31.3Very low37.1Very low196 Ų196125.2 Ų125.292%0.91670%0.703SS**  trans-66.863.1159.1-72.1-174.8156.300111D408 G412D408-E410 PolarHBondContact O-N 2.7Å; E410-G412 VanDerWaalsContact C-N 3.25Å; E410-G412 PolarHBondContact O-N 3Å
411D35.9Very low35.3Very low109 Ų109128.1 Ų128.158%0.58371%0.71SS**  trans-8575.9169.2-78.4-22.6000110.1D409 D413D409-D411 PolarHBondContact O-N 2.97Å; D411-D413 PolarHBondContact O-N 3.14Å
412G29.1Very low34Very low71 Ų71132.2 Ų132.273%0.73272%0.717SS**  trans-70.777.9157.200000109.8E410 N414E410-G412 VanDerWaalsContact C-N 3.25Å; E410-G412 PolarHBondContact O-N 3Å; G412-N414 PolarHBondContact O-N 3.24Å
413D34.5Very low33.2Very low122 Ų122140.6 Ų140.665%0.65275%0.745SS**  trans-64.187165.7-78.1-33.6000108.8D411 Y415D411-D413 PolarHBondContact O-N 3.14Å; D413-Y415 PolarHBondContact O-N 3.14Å
414N27Very low32.7Very low143 Ų143140.6 Ų140.677%0.76574%0.739SS**  trans-64.6107.9164.9-172.214.4000106.7G412 G416G412-N414 PolarHBondContact O-N 3.24Å; N414-G416 PolarHBondContact O-N 3.19Å
415Y35.1Very low32.3Very low186 Ų186143.6 Ų143.673%0.72975%0.747SS**  trans-6669.5156.6-72.1-84.9000107.7D413 T417D413-Y415 PolarHBondContact O-N 3.14Å; Y415-T417 PolarHBondContact O-N 2.94Å
416G29.9Very low32.2Very low44 Ų44146.3 Ų146.345%0.45475%0.752SS.*  trans-64.8107.6169.600000106.6N414 Q418N414-G416 PolarHBondContact O-N 3.19Å; G416-Q418 PolarHBondContact O-N 3.19Å; G416-Q418 VanDerWaalsContact O-N 3.12Å
417T31.6Very low32Very low84 Ų84148.5 Ų148.552%0.51575%0.751SS.*  trans-36.1119163.349.30000108.9Y415 Q419Y415-T417 PolarHBondContact O-N 2.94Å; T417-Q419 PolarHBondContact O-N 3.18Å
418Q28.4Very low31.7Very low185 Ų185147.3 Ų147.386%0.86475%0.749SS**  trans-64.776.1163-74.6-178.97.300107.6G416G416-Q418 PolarHBondContact O-N 3.19Å; G416-Q418 VanDerWaalsContact O-N 3.12Å
419Q28.2Very low31.5Very low143 Ų143146.1 Ų146.167%0.66874%0.74SS**  trans-70.8140.3156.5-69.8-1772.800106.1T417T417-Q419 PolarHBondContact O-N 3.18Å
420D30.7Very low31Very low153 Ų153148.2 Ų148.282%0.81875%0.749SS**SBendtrans79.971.3-176.3-54.5-27.7000116.8
421K29.6Very low31Very low185 Ų185144.5 Ų144.580%0.80474%0.736SS**SBendtrans-151.53.9139.1-112.3176.2-168.8-172.20117.3
422F30.1Very low30.6Very low172 Ų172147.5 Ų147.575%0.75475%0.749SS**  trans-125.594.3177.6-59.8-77.7000110.5
423K33.2Very low30.7Very low282 Ų282154.5 Ų154.5100%1.22675%0.75SS**  trans-115.80159.3-95.3-170.3179.7176.10108.9

Retrieved 423 of 423 residues in 1070.9 ms (Link to these results)

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