A0A077ZCP8_TRITR Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A077ZCP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 417 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low48.4Very low248 Ų248122 Ų122100%1.22270%0.701SS**  096.90-73.4180159.100107.8S3M1-S3 PolarHBondContact O-N 2.8Å
2S35.5Very low49.9Very low120 Ų120118.5 Ų118.584%0.83967%0.674SS**  trans-82107.5-176.946.70000110.3S4S2-S4 PolarHBondContact O-N 2.88Å
3S36.6Very low51.1Low117 Ų117115.2 Ų115.282%0.81864%0.644SS**  trans-76.298.117053.10000109.6M1 S5M1-S3 PolarHBondContact O-N 2.8Å; S3-S5 PolarHBondContact O-N 3.05Å
4S37Very low51.6Low98 Ų98107.6 Ų107.669%0.68560%0.601SS**  trans-71.599166.952.40000109.4S2 F6S2-S4 PolarHBondContact O-N 2.88Å; S4-F6 PolarHBondContact O-N 3.01Å
5S40.1Very low52.6Low108 Ų108104.1 Ų104.176%0.75558%0.581SS**  trans-71.8111.7170.958.30000109.6S3 S7S3-S5 PolarHBondContact O-N 3.05Å; S5-S7 PolarHBondContact O-N 3.45Å
6F44Very low53.5Low200 Ų200100.9 Ų100.988%0.87756%0.562SS**  trans-64.298.7172.2-84.5-97.7000110.2S4S4-F6 PolarHBondContact O-N 3.01Å
7S50.8Low53.6Low96 Ų9696.5 Ų96.567%0.67154%0.537SS*.PPolyproline II helixtrans-75.8122169.757.80000109.9S5S5-S7 PolarHBondContact O-N 3.45Å
8I59.8Low54.1Low91 Ų9193.6 Ų93.647%0.46752%0.519SS..PPolyproline II helixtrans-60.9127.5176.7-60.9172.7000109.3Q12 R13I8-Q12 HydrophobicContact CG2-CB 3.63Å; I8-Q12 HydrophobicContact CG2-CG 3.85Å; I8-R13 HydrophobicContact CB-CG 4.14Å; I8-R13 HydrophobicContact CG2-CG 3.84Å; I8-R13 PolarHBondContact O-NE 3.3Å; I8-R13 PolarHBondContact O-NH2 3.19Å; I8-R13 VanDerWaalsContact O-NH2 3.12Å
9P70.3Confident54.8Low90 Ų9096.2 Ų96.258%0.58452%0.52SS*.PPolyproline II helixtrans-55.9141.9177.2-25.734.3000111.8H11 Q12 R13P9-H11 PolarHBondContact O-N 3.15Å; P9-Q12 WeakPolarHBondContact O-CA 3.42Å; P9-Q12 WeakPolarHBondContact O-CB 3.46Å; P9-Q12 PolarHBondContact O-N 3.12Å; P9-R13 PolarHBondContact O-N 2.93Å; P9-R13 VanDerWaalsContact O-N 3.09Å
10F59Low55.1Low48 Ų4896.6 Ų96.621%0.21152%0.516CS..Hα-helixtrans-50.3-44.2-179.1172.3-106.7000112.4Q12 R13 L14 D295 I341F10-Q12 PolarHBondContact O-N 3.35Å; F10-R13 WeakPolarHBondContact O-CB 3.45Å; F10-R13 PolarHBondContact O-N 2.88Å; F10-R13 VanDerWaalsContact O-N 3.13Å; F10-L14 HydrophobicContact CD1-CD2 4.48Å; F10-L14 HydrophobicContact CE1-CD2 3.72Å; F10-L14 HydrophobicContact CE1-CG 4.47Å; F10-L14 HydrophobicContact CZ-CB 4.45Å; F10-L14 HydrophobicContact CZ-CD1 4.11Å; F10-L14 HydrophobicContact CZ-CD2 3.98Å; F10-L14 HydrophobicContact CZ-CG 4.36Å; F10-L14 WeakPolarHBondContact O-CB 3.49Å; F10-L14 PolarHBondContact O-N 2.95Å; F10-D295 HydrophobicContact CD2-CB 4.36Å; F10-D295 VanDerWaalsContact CD2-OD2 3.32Å; F10-D295 WeakPolarHBondContact CD2-OD2 3.4Å; F10-D295 HydrophobicContact CE2-CB 4.08Å; F10-I341 HydrophobicContact CE1-CG2 4.13Å; F10-I341 HydrophobicContact CE2-CD1 3.42Å; F10-I341 VanDerWaalsContact CE2-CD1 3.42Å; F10-I341 HydrophobicContact CE2-CG2 4.16Å; F10-I341 HydrophobicContact CZ-CB 4.06Å; F10-I341 HydrophobicContact CZ-CD1 3.49Å; F10-I341 VanDerWaalsContact CZ-CD1 3.49Å; F10-I341 HydrophobicContact CZ-CG1 4.37Å; F10-I341 HydrophobicContact CZ-CG2 3.76Å
11H62.4Low55Low126 Ų12692.5 Ų92.558%0.58349%0.494SS*.Hα-helixtrans-55.4-39.1176.5-178.8-93.5000112.8P9 L14 L15P9-H11 PolarHBondContact O-N 3.15Å; H11-L14 WeakPolarHBondContact O-CB 3.29Å; H11-L14 PolarHBondContact O-N 2.92Å; H11-L15 WeakPolarHBondContact CE1-CD1 3.39Å; H11-L15 WeakPolarHBondContact O-CG 3.4Å; H11-L15 PolarHBondContact O-N 3.11Å
12Q67.1Low56.3Low80 Ų8087.8 Ų87.837%0.37446%0.463SS..Hα-helixtrans-73.4-41.7178.6-166.170.516.800111.5I8 P9 F10 L14 L15 D16I8-Q12 HydrophobicContact CG2-CB 3.63Å; I8-Q12 HydrophobicContact CG2-CG 3.85Å; P9-Q12 WeakPolarHBondContact O-CA 3.42Å; P9-Q12 WeakPolarHBondContact O-CB 3.46Å; P9-Q12 PolarHBondContact O-N 3.12Å; F10-Q12 PolarHBondContact O-N 3.35Å; Q12-L14 PolarHBondContact O-N 3.37Å; Q12-L15 PolarHBondContact O-N 2.58Å; Q12-D16 VanDerWaalsContact O-CG 3.3Å; Q12-D16 PolarHBondContact O-N 3.05Å
13R65Low57.7Low75 Ų7588 Ų8828%0.28345%0.45SS..Hα-helixtrans-57.7-38.5171.6-68.9-174.7-115.8175.5-9.1111.4I8 P9 F10 D16 L17 D295I8-R13 HydrophobicContact CB-CG 4.14Å; I8-R13 HydrophobicContact CG2-CG 3.84Å; I8-R13 PolarHBondContact O-NE 3.3Å; I8-R13 PolarHBondContact O-NH2 3.19Å; I8-R13 VanDerWaalsContact O-NH2 3.12Å; P9-R13 PolarHBondContact O-N 2.93Å; P9-R13 VanDerWaalsContact O-N 3.09Å; F10-R13 WeakPolarHBondContact O-CB 3.45Å; F10-R13 PolarHBondContact O-N 2.88Å; F10-R13 VanDerWaalsContact O-N 3.13Å; R13-D16 PolarHBondContact O-N 3.42Å; R13-L17 PolarHBondContact O-N 2.98Å; R13-D295 IonicContact CZ-OD1 3.97Å; R13-D295 IonicContact NH1-OD1 2.7Å; R13-D295 PolarHBondContact NH1-OD1 3.43Å; R13-D295 IonicContact NH1-OD2 3.65Å
14L58.6Low58.5Low9 Ų984.2 Ų84.25%0.04742%0.42CS..Hα-helixtrans-68.7-49.9179.5-169.463.3000110F10 H11 Q12 D16 L17 E18 F334F10-L14 HydrophobicContact CD1-CD2 4.48Å; F10-L14 HydrophobicContact CE1-CD2 3.72Å; F10-L14 HydrophobicContact CE1-CG 4.47Å; F10-L14 HydrophobicContact CZ-CB 4.45Å; F10-L14 HydrophobicContact CZ-CD1 4.11Å; F10-L14 HydrophobicContact CZ-CD2 3.98Å; F10-L14 HydrophobicContact CZ-CG 4.36Å; F10-L14 WeakPolarHBondContact O-CB 3.49Å; F10-L14 PolarHBondContact O-N 2.95Å; H11-L14 WeakPolarHBondContact O-CB 3.29Å; H11-L14 PolarHBondContact O-N 2.92Å; Q12-L14 PolarHBondContact O-N 3.37Å; L14-D16 VanDerWaalsContact C-N 3.26Å; L14-D16 PolarHBondContact O-N 3.08Å; L14-L17 CarbonylContact O-C 3.58Å; L14-L17 WeakPolarHBondContact O-CA 3.48Å; L14-L17 WeakPolarHBondContact O-CB 3.2Å; L14-L17 PolarHBondContact O-N 3.5Å; L14-E18 PolarHBondContact O-N 3.44Å; L14-F334 HydrophobicContact CB-CE2 4.25Å; L14-F334 HydrophobicContact CB-CZ 4.48Å; L14-F334 HydrophobicContact CD1-CD2 3.94Å; L14-F334 HydrophobicContact CD1-CE2 3.35Å; L14-F334 HydrophobicContact CD1-CZ 3.92Å; L14-F334 HydrophobicContact CD2-CE2 4.15Å; L14-F334 HydrophobicContact CD2-CZ 3.83Å; L14-F334 HydrophobicContact CG-CD2 4.31Å; L14-F334 HydrophobicContact CG-CE2 3.27Å; L14-F334 HydrophobicContact CG-CZ 3.4Å; L14-F334 VanDerWaalsContact CG-CZ 3.4Å; L14-F334 VanDerWaalsContact O-CE2 3.24Å; L14-F334 WeakPolarHBondContact O-CE2 3.5Å
15L66.6Low59.3Low56 Ų5685.2 Ų85.229%0.29341%0.409SS..Hα-helixtrans-56.9-37.6172.8-74.6175.4000113.4H11 Q12 E18 R19H11-L15 WeakPolarHBondContact CE1-CD1 3.39Å; H11-L15 WeakPolarHBondContact O-CG 3.4Å; H11-L15 PolarHBondContact O-N 3.11Å; Q12-L15 PolarHBondContact O-N 2.58Å; L15-E18 PolarHBondContact O-N 3.14Å; L15-R19 PolarHBondContact O-N 3.44Å
16D66.1Low60.2Low53 Ų5386.1 Ų86.128%0.28340%0.401SS..Hα-helixtrans-69.6-34.4175.9-70.1-15.1000112.1Q12 R13 L14 R19 K20Q12-D16 VanDerWaalsContact O-CG 3.3Å; Q12-D16 PolarHBondContact O-N 3.05Å; R13-D16 PolarHBondContact O-N 3.42Å; L14-D16 VanDerWaalsContact C-N 3.26Å; L14-D16 PolarHBondContact O-N 3.08Å; D16-R19 IonicContact OD1-CZ 2.7Å; D16-R19 IonicContact OD1-NE 2.82Å; D16-R19 IonicContact OD1-NH2 2.72Å; D16-R19 PolarHBondContact OD1-NH2 2.91Å; D16-K20 WeakPolarHBondContact O-CG 3.31Å; D16-K20 PolarHBondContact O-N 3.47Å
17L55.6Low60.8Low25 Ų2581.7 Ų81.713%0.13138%0.383CS..Hα-helixtrans-60.6-48.9168.1-89.6152.1000111.1R13 L14 R19 K20 F21 R281R13-L17 PolarHBondContact O-N 2.98Å; L14-L17 CarbonylContact O-C 3.58Å; L14-L17 WeakPolarHBondContact O-CA 3.48Å; L14-L17 WeakPolarHBondContact O-CB 3.2Å; L14-L17 PolarHBondContact O-N 3.5Å; L17-R19 PolarHBondContact O-N 3.1Å; L17-K20 PolarHBondContact O-N 3.45Å; L17-F21 HydrophobicContact CB-CD2 4.49Å; L17-F21 HydrophobicContact CB-CE2 4.49Å; L17-F21 HydrophobicContact CD2-CD2 4.41Å; L17-F21 HydrophobicContact CD2-CE2 3.75Å; L17-F21 WeakPolarHBondContact O-CD2 3.12Å; L17-F21 PolarHBondContact O-N 3.09Å; L17-R281 VanDerWaalsContact CD2-NE 3.34Å
18E63.3Low60.6Low45 Ų4580.2 Ų80.221%0.2137%0.367CS..Hα-helixtrans-59.9-46.4-179.1-156.4-165.515400112L14 L15 K20 F21 R22 F334L14-E18 PolarHBondContact O-N 3.44Å; L15-E18 PolarHBondContact O-N 3.14Å; E18-K20 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 3.21Å; E18-F21 PolarHBondContact O-N 3.03Å; E18-R22 PolarHBondContact O-N 2.77Å; E18-R22 IonicContact OE1-CZ 3.7Å; E18-R22 IonicContact OE1-NE 3.5Å; E18-R22 PolarHBondContact OE1-NE 3.04Å; E18-R22 VanDerWaalsContact OE1-NE 3.16Å; E18-R22 IonicContact OE1-NH2 2.7Å; E18-R22 PolarHBondContact OE1-NH2 3.22Å; E18-F334 HydrophobicContact CB-CD2 3.74Å; E18-F334 HydrophobicContact CB-CE2 3.64Å; E18-F334 HydrophobicContact CB-CG 4.3Å; E18-F334 HydrophobicContact CB-CZ 4.15Å; E18-F334 HydrophobicContact CG-CB 4.44Å; E18-F334 HydrophobicContact CG-CD1 4.28Å; E18-F334 HydrophobicContact CG-CD2 3.91Å; E18-F334 HydrophobicContact CG-CE1 4.49Å; E18-F334 HydrophobicContact CG-CE2 4.1Å; E18-F334 HydrophobicContact CG-CG 3.95Å; E18-F334 HydrophobicContact CG-CZ 4.37Å
19R67.6Low60.1Low142 Ų14278.5 Ų78.554%0.53636%0.363SS..Hα-helixtrans-58.8-44.3176.9-79.7-171.8-81.3-177.1-4.4111.9L15 D16 L17 R22 Q23L15-R19 PolarHBondContact O-N 3.44Å; D16-R19 IonicContact OD1-CZ 2.7Å; D16-R19 IonicContact OD1-NE 2.82Å; D16-R19 IonicContact OD1-NH2 2.72Å; D16-R19 PolarHBondContact OD1-NH2 2.91Å; L17-R19 PolarHBondContact O-N 3.1Å; R19-R22 PolarHBondContact O-N 3.28Å; R19-Q23 WeakPolarHBondContact O-CG 3.45Å; R19-Q23 PolarHBondContact O-N 3.17Å; R19-Q23 VanDerWaalsContact O-N 3.13Å
20K60.8Low59.2Low104 Ų10480 Ų8045%0.45236%0.363SS..Hα-helixtrans-64.5-44.8176.1-69.1-167.6-154.3178.10111.5D16 L17 E18 R22 Q23 M24D16-K20 WeakPolarHBondContact O-CG 3.31Å; D16-K20 PolarHBondContact O-N 3.47Å; L17-K20 PolarHBondContact O-N 3.45Å; E18-K20 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 3.21Å; K20-R22 VanDerWaalsContact C-N 3.3Å; K20-R22 PolarHBondContact O-N 2.99Å; K20-Q23 PolarHBondContact O-N 3.42Å; K20-Q23 VanDerWaalsContact O-N 3.14Å; K20-M24 VanDerWaalsContact C-CE 3.41Å; K20-M24 HydrophobicContact CB-CE 4.14Å; K20-M24 WeakPolarHBondContact O-CE 3.32Å; K20-M24 PolarHBondContact O-N 3.03Å
21F53.1Low58.6Low12 Ų1283.8 Ų83.85%0.05338%0.379CS..Hα-helixtrans-59.9-37.3178-82.8-64.1000113.2L17 E18 M24 R25 R281 L337L17-F21 HydrophobicContact CB-CD2 4.49Å; L17-F21 HydrophobicContact CB-CE2 4.49Å; L17-F21 HydrophobicContact CD2-CD2 4.41Å; L17-F21 HydrophobicContact CD2-CE2 3.75Å; L17-F21 WeakPolarHBondContact O-CD2 3.12Å; L17-F21 PolarHBondContact O-N 3.09Å; E18-F21 PolarHBondContact O-N 3.03Å; F21-M24 HydrophobicContact CD1-CE 4Å; F21-M24 HydrophobicContact CG-CE 4.38Å; F21-R25 PolarHBondContact O-N 3.44Å; F21-R281 VanDerWaalsContact CD1-O 3.25Å; F21-R281 WeakPolarHBondContact CD1-O 3.3Å; F21-R281 HydrophobicContact CE1-CB 4.09Å; F21-R281 WeakPolarHBondContact CE1-O 3.33Å; F21-R281 HydrophobicContact CZ-CB 4.23Å; F21-L337 HydrophobicContact CE2-CD1 4.19Å; F21-L337 HydrophobicContact CZ-CD1 4.44Å
22R63.3Low57.6Low149 Ų14987.1 Ų87.156%0.56239%0.387SS*.Hα-helixtrans-65.4-45.1173.5-70.6-176.3-172.3-143.75.8111.5E18 R19 K20 M24 R25 H26E18-R22 PolarHBondContact O-N 2.77Å; E18-R22 IonicContact OE1-CZ 3.7Å; E18-R22 IonicContact OE1-NE 3.5Å; E18-R22 PolarHBondContact OE1-NE 3.04Å; E18-R22 VanDerWaalsContact OE1-NE 3.16Å; E18-R22 IonicContact OE1-NH2 2.7Å; E18-R22 PolarHBondContact OE1-NH2 3.22Å; R19-R22 PolarHBondContact O-N 3.28Å; K20-R22 VanDerWaalsContact C-N 3.3Å; K20-R22 PolarHBondContact O-N 2.99Å; R22-M24 PolarHBondContact O-N 3.03Å; R22-R25 PolarHBondContact O-N 3.35Å; R22-H26 PolarHBondContact O-CD2 3.47Å; R22-H26 PolarHBondContact O-N 3.23Å
23Q64.4Low56.4Low124 Ų12492.4 Ų92.458%0.57940%0.403SS*.Hα-helixtrans-61.3-42.9178.6-73.5174.6-12.400112.8R19 K20 H26 Q27R19-Q23 WeakPolarHBondContact O-CG 3.45Å; R19-Q23 PolarHBondContact O-N 3.17Å; R19-Q23 VanDerWaalsContact O-N 3.13Å; K20-Q23 PolarHBondContact O-N 3.42Å; K20-Q23 VanDerWaalsContact O-N 3.14Å; Q23-H26 WeakPolarHBondContact O-CB 3.12Å; Q23-H26 PolarHBondContact O-N 3.37Å; Q23-Q27 PolarHBondContact O-N 3.09Å; Q23-Q27 VanDerWaalsContact O-N 3.11Å
24M53.9Low55.3Low37 Ų3792.2 Ų92.218%0.18241%0.413CS..Hα-helixtrans-70.3-35.2179.8-69.4173.6-68.500112.9K20 F21 R22 H26 Q27 D28 R281K20-M24 VanDerWaalsContact C-CE 3.41Å; K20-M24 HydrophobicContact CB-CE 4.14Å; K20-M24 WeakPolarHBondContact O-CE 3.32Å; K20-M24 PolarHBondContact O-N 3.03Å; F21-M24 HydrophobicContact CD1-CE 4Å; F21-M24 HydrophobicContact CG-CE 4.38Å; R22-M24 PolarHBondContact O-N 3.03Å; M24-H26 VanDerWaalsContact C-N 3.26Å; M24-H26 PolarHBondContact O-N 3.24Å; M24-Q27 PolarHBondContact O-N 2.94Å; M24-Q27 VanDerWaalsContact O-N 3.15Å; M24-D28 PolarHBondContact O-N 3.42Å; M24-R281 HydrophobicContact CE-CB 3.41Å; M24-R281 VanDerWaalsContact CE-CB 3.41Å; M24-R281 WeakPolarHBondContact CE-O 3.42Å; M24-R281 HydrophobicContact SD-CB 3.9Å; M24-R281 VanDerWaalsContact SD-O 3.39Å
25R54.8Low54.3Low120 Ų120101.3 Ų101.345%0.45345%0.447SS..Hα-helixtrans-60.5-37.8173.5-81.3-170.1-88.8-174.7-5.9111.8F21 R22 S29F21-R25 PolarHBondContact O-N 3.44Å; R22-R25 PolarHBondContact O-N 3.35Å; R25-S29 WeakPolarHBondContact O-CB 3.45Å; R25-S29 PolarHBondContact O-N 2.8Å; R25-S29 VanDerWaalsContact O-N 3.08Å; R25-S29 PolarHBondContact O-OG 3.46Å
26H58.8Low52.8Low127 Ų127103 Ų10359%0.58846%0.463SS*.Hα-helixtrans-63.1-48.6171.8-82.5-72.8000111.6R22 Q23 M24 D28 S29 E30R22-H26 PolarHBondContact O-CD2 3.47Å; R22-H26 PolarHBondContact O-N 3.23Å; Q23-H26 WeakPolarHBondContact O-CB 3.12Å; Q23-H26 PolarHBondContact O-N 3.37Å; M24-H26 VanDerWaalsContact C-N 3.26Å; M24-H26 PolarHBondContact O-N 3.24Å; H26-D28 PolarHBondContact O-N 3.34Å; H26-S29 PolarHBondContact O-N 3.21Å; H26-S29 PolarHBondContact O-OG 3.46Å; H26-E30 WeakPolarHBondContact O-CG 3.5Å; H26-E30 PolarHBondContact O-N 3.46Å; H26-E30 VanDerWaalsContact O-N 3.08Å
27Q55.2Low51.3Low106 Ų106107 Ų10750%0.49548%0.484SS..Hα-helixtrans-63.6-38.8179.4-70.1179.3-6.600113.8Q23 M24 E30 K31Q23-Q27 PolarHBondContact O-N 3.09Å; Q23-Q27 VanDerWaalsContact O-N 3.11Å; M24-Q27 PolarHBondContact O-N 2.94Å; M24-Q27 VanDerWaalsContact O-N 3.15Å; Q27-E30 PolarHBondContact O-N 3.33Å; Q27-K31 WeakPolarHBondContact O-CG 3.3Å; Q27-K31 PolarHBondContact O-N 2.76Å
28D47.3Very low50.2Low65 Ų65111.1 Ų111.135%0.34851%0.514SS..Hα-helixtrans-70.3-35.1177-89.8-7.4000111.9M24 H26 E30 K31 R32M24-D28 PolarHBondContact O-N 3.42Å; H26-D28 PolarHBondContact O-N 3.34Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-K31 PolarHBondContact O-N 2.65Å; D28-R32 WeakPolarHBondContact O-CB 3.06Å; D28-R32 WeakPolarHBondContact O-CG 3.43Å; D28-R32 PolarHBondContact O-N 3.2Å
29S49.8Very low48.6Very low55 Ų55116.8 Ų116.839%0.38554%0.542SS..Hα-helixtrans-64.8-37.5173.977.30000111.9R25 H26 R33R25-S29 WeakPolarHBondContact O-CB 3.45Å; R25-S29 PolarHBondContact O-N 2.8Å; R25-S29 VanDerWaalsContact O-N 3.08Å; R25-S29 PolarHBondContact O-OG 3.46Å; H26-S29 PolarHBondContact O-N 3.21Å; H26-S29 PolarHBondContact O-OG 3.46Å; S29-R33 WeakPolarHBondContact O-CG 3.26Å; S29-R33 PolarHBondContact O-N 3.06Å
30E50.4Low46.6Very low122 Ų122116.4 Ų116.457%0.5756%0.556SS**Hα-helixtrans-68.1-49.2174.2-72.3177.3164.300111.2H26 Q27 D28 R32 R33 S34H26-E30 WeakPolarHBondContact O-CG 3.5Å; H26-E30 PolarHBondContact O-N 3.46Å; H26-E30 VanDerWaalsContact O-N 3.08Å; Q27-E30 PolarHBondContact O-N 3.33Å; D28-E30 VanDerWaalsContact C-N 3.31Å; E30-R32 VanDerWaalsContact C-N 3.32Å; E30-R32 PolarHBondContact O-N 3.08Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.3Å; E30-R33 VanDerWaalsContact O-N 3.09Å; E30-S34 PolarHBondContact O-N 2.96Å; E30-S34 PolarHBondContact O-OG 3.17Å
31K46.1Very low45.1Very low127 Ų127116 Ų11655%0.55257%0.566SS**Hα-helixtrans-60.9-36.5177.8-76.9177-179.1172.40113.2Q27 D28 S34 R35Q27-K31 WeakPolarHBondContact O-CG 3.3Å; Q27-K31 PolarHBondContact O-N 2.76Å; D28-K31 PolarHBondContact O-N 2.65Å; K31-S34 PolarHBondContact O-N 3.1Å; K31-R35 WeakPolarHBondContact O-CB 3.44Å; K31-R35 WeakPolarHBondContact O-CG 3.5Å; K31-R35 PolarHBondContact O-N 2.87Å
32R42.6Very low43.9Very low196 Ų196121.3 Ų121.374%0.7460%0.602SS**Hα-helixtrans-66.5-38.9174.5-78.8-177.2178.2-1660.6111.8D28 E30 R35 S36D28-R32 WeakPolarHBondContact O-CB 3.06Å; D28-R32 WeakPolarHBondContact O-CG 3.43Å; D28-R32 PolarHBondContact O-N 3.2Å; E30-R32 VanDerWaalsContact C-N 3.32Å; E30-R32 PolarHBondContact O-N 3.08Å; R32-R35 PolarHBondContact O-N 3.23Å; R32-S36 PolarHBondContact O-N 3.26Å; R32-S36 VanDerWaalsContact O-N 3.07Å
33R42.1Very low42.3Very low192 Ų192121.6 Ų121.673%0.72561%0.613SS**Hα-helixtrans-64.5-39.3172.5-75.7177.3171.5-171.4-2.2111.8S29 E30 S36 L37S29-R33 WeakPolarHBondContact O-CG 3.26Å; S29-R33 PolarHBondContact O-N 3.06Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.3Å; E30-R33 VanDerWaalsContact O-N 3.09Å; R33-S36 PolarHBondContact O-OG 3.12Å; R33-L37 WeakPolarHBondContact O-CD1 3.49Å
34S40.3Very low40.5Very low71 Ų71121.3 Ų121.350%0.49762%0.622SS.*Hα-helixtrans-67.5-38.9176.7-33.50000112.7E30 K31 L37E30-S34 PolarHBondContact O-N 2.96Å; E30-S34 PolarHBondContact O-OG 3.17Å; K31-S34 PolarHBondContact O-N 3.1Å; S34-L37 PolarHBondContact O-N 3.37Å
35R38.6Very low39.4Very low200 Ų200131.3 Ų131.376%0.75566%0.658SS**Hα-helixtrans-73.5-31.7179.3-77.8-177.1172.6-175.9-2.9113.4K31 R32 L37 C38K31-R35 WeakPolarHBondContact O-CB 3.44Å; K31-R35 WeakPolarHBondContact O-CG 3.5Å; K31-R35 PolarHBondContact O-N 2.87Å; R32-R35 PolarHBondContact O-N 3.23Å; R35-L37 PolarHBondContact O-N 3.34Å; R35-C38 PolarHBondContact O-N 3.45Å
36S35.6Very low38.1Very low90 Ų90136.8 Ų136.863%0.62968%0.679SS**Hα-helixtrans-71.7-18.6175.388.60000113.1R32 R33R32-S36 PolarHBondContact O-N 3.26Å; R32-S36 VanDerWaalsContact O-N 3.07Å; R33-S36 PolarHBondContact O-OG 3.12Å
37L34.1Very low36.6Very low139 Ų139136.4 Ų136.473%0.72869%0.688SS**THydrogen-bonded Turntrans-82.9-12.3174.5-78.2157.4000113.4R33 S34 R35R33-L37 WeakPolarHBondContact O-CD1 3.49Å; S34-L37 PolarHBondContact O-N 3.37Å; R35-L37 PolarHBondContact O-N 3.34Å
38C32.5Very low35.3Very low111 Ų111139.9 Ų139.975%0.7571%0.706SS**SBendtrans-106.63179.3-86.40000114.6R35R35-C38 PolarHBondContact O-N 3.45Å
39M29.7Very low34.4Very low164 Ų164142.2 Ų142.281%0.80873%0.725SS**  trans-114.367.9175-63.9-133.385.400111
40T25.7Very low33.4Very low133 Ų133148 Ų14882%0.81675%0.751SS**  trans-100.884.516446.50000109.1
41S28.4Very low32.3Very low96 Ų96146.6 Ų146.667%0.67176%0.76SS**  trans-136.7113.9160.6177.50000108L43S41-L43 PolarHBondContact O-N 2.97Å
42P27.7Very low31.5Very low124 Ų124148.3 Ų148.381%0.80577%0.774SS**  trans-87.5109.5-178.532.1-26.7000109.1
43L30.5Very low30.9Very low154 Ų154142.6 Ų142.681%0.80678%0.776SS**  trans-101.4128.2159-74.4174.9000109.1S41 R45S41-L43 PolarHBondContact O-N 2.97Å; L43-R45 PolarHBondContact O-N 3.43Å
44P27.2Very low30.5Very low118 Ų118141.6 Ų141.677%0.76678%0.777SS**  trans-77.1125.5-168.728.1-26.9000110.6R46P44-R46 PolarHBondContact O-N 3.06Å
45R29.5Very low30.1Very low248 Ų248144 Ų14494%0.93679%0.785SS**  trans-68.5107166.7-70.2-177.3-179.1-127.6-1.3108.6L43L43-R45 PolarHBondContact O-N 3.43Å
46R28.9Very low29.8Very low234 Ų234142 Ų14288%0.88379%0.788SS**PPolyproline II helixtrans-84.1134.4159.7-84.7-171.5176.1-154.20.2109.5P44P44-R46 PolarHBondContact O-N 3.06Å
47P26.7Very low29.6Very low120 Ų120147.7 Ų147.778%0.77980%0.802SS**PPolyproline II helixtrans-79134172.132-29.8000109.4
48M28.2Very low29.5Very low178 Ų178145.6 Ų145.688%0.87780%0.804SS**PPolyproline II helixtrans-101.2132.4169.7-88.5-73.2-80.800110.4
49P29Very low29.6Very low115 Ų115149.7 Ų149.775%0.74781%0.812SS**PPolyproline II helixtrans-81.2159.3-175.9-2.421.3000113.3
50L27.3Very low29.7Very low176 Ų176150.1 Ų150.192%0.92182%0.818SS**PPolyproline II helixtrans-59.5152.3175.3-79.3143.6000114
51A27.5Very low30.1Very low92 Ų92147 Ų14776%0.7681%0.812SS**PPolyproline II helixtrans-53.7149.9-178.600000116.1
52L30Very low30.3Very low163 Ų163148 Ų14885%0.85382%0.819SS**  trans-155.196149.7-106.2142.7000108.5
53G28.6Very low30.5Very low77 Ų77150.2 Ų150.279%0.79482%0.823SS**  trans-89.5123.6165.100000109.2
54K34.4Very low30.8Very low170 Ų170148.6 Ų148.674%0.73982%0.822SS**  trans-130.8124.8164.2-87.4-170.8175.2-176.80109.6
55D33.2Very low30.9Very low123 Ų123147.4 Ų147.466%0.65882%0.817SS**  trans70.3107136.6-56-33.2000121.5
56L31.4Very low31Very low156 Ų156142.3 Ų142.382%0.81781%0.808SS**  55.2116.6118.8-68.5148.3000118.4
57K31.9Very low31.2Very low211 Ų211136.6 Ų136.692%0.91780%0.804SS**  -166.7133.3109.4-103.6170.6-175.9-176.70112.2
58A30.4Very low31.3Very low94 Ų94140 Ų14078%0.77781%0.809SS**  trans-69.2150.8173.700000111.9
59Q35.3Very low31.5Very low198 Ų198143.2 Ų143.293%0.92581%0.811SS**  trans-149.2134.1146.3-109178.26.700110.5
60D31.3Very low31.6Very low172 Ų172146.1 Ų146.192%0.9282%0.815SS**  trans-55.7155.6-178.6-79.2-52.3000115.1
61G34.1Very low31.5Very low68 Ų68149.4 Ų149.470%0.70182%0.815SS**  trans175.667.7167.600000114.1
62S33.9Very low31.4Very low118 Ų118155.9 Ų155.983%0.82582%0.82SS**  trans34.8113.4145.957.60000120.3
63L31.4Very low31.3Very low169 Ų169154.1 Ų154.189%0.88582%0.816SS**  trans-68.2157152.3-81.2144.6000111.3
64P36Very low31.3Very low120 Ų120155.7 Ų155.778%0.77981%0.811SS**  -134.3164.4116.926.6-9.4000114.7
65S29.9Very low30.9Very low94 Ų94154.5 Ų154.566%0.65781%0.812SS**  trans-70.5173.5-174.155.20000115.5
66D30.5Very low30.8Very low140 Ų140159.8 Ų159.875%0.74982%0.823SS**  trans80.8108.6156.5-60.9-49.2000118.3
67S34.3Very low30.8Very low114 Ų114158.2 Ų158.280%0.79782%0.815SS**  179.5138.39541.60000111.7R69S67-R69 PolarHBondContact O-N 3.27Å
68H29.6Very low30.7Very low192 Ų192154.4 Ų154.489%0.88981%0.805SS**  trans-34.5124165.3-72.5-86.8000113.2
69R30.7Very low30.8Very low245 Ų245156.6 Ų156.693%0.92580%0.804SS**  trans-129.9115.3153.6-147.8170.8-173.9-170.71.1110.8S67S67-R69 PolarHBondContact O-N 3.27Å
70Q31Very low30.7Very low176 Ų176153.2 Ų153.282%0.82280%0.796SS**  trans-48.5136.6-178.1-74.3160.6-35.600112.4R72Q70-R72 PolarHBondContact O-N 3.07Å; Q70-R72 VanDerWaalsContact O-N 3.15Å
71R26.3Very low30.9Very low245 Ų245149.5 Ų149.593%0.92578%0.776SS**  trans-53.1112.1159.8-68.6176.3178.7-175.3-1.3108.5
72R25.5Very low30.7Very low228 Ų228152.4 Ų152.486%0.8678%0.775SS**  trans-107.8106.3154.9-90.2-172.6178.6-173.8-0.4107.3Q70 T74Q70-R72 PolarHBondContact O-N 3.07Å; Q70-R72 VanDerWaalsContact O-N 3.15Å; R72-T74 PolarHBondContact O-N 3.22Å
73T27.3Very low30.4Very low126 Ų126158.6 Ų158.677%0.77378%0.78SS**  trans-62.6109.3156.545.80000106.7D75T73-D75 PolarHBondContact O-N 3.27Å
74T28.7Very low30.4Very low111 Ų111155.3 Ų155.368%0.68178%0.778SS**  trans-8499.1163.145.20000106.9R72 W76R72-T74 PolarHBondContact O-N 3.22Å; T74-W76 PolarHBondContact O-N 3.33Å
75D27Very low30.2Very low144 Ų144158.7 Ų158.777%0.7778%0.783SS**  trans-52.1117.4158.9-82.3-36.2000108.1T73T73-D75 PolarHBondContact O-N 3.27Å
76W29.6Very low30.2Very low235 Ų235159.6 Ų159.689%0.8979%0.789SS**  trans-90.3101.1161.9-87.285.1000107.5T74 N78T74-W76 PolarHBondContact O-N 3.33Å; W76-N78 PolarHBondContact O-N 2.85Å
77N31.7Very low30.2Very low122 Ų122158.2 Ų158.265%0.65279%0.791SS**  trans-49.3123.7162.6-80.2-18.9000110D79N77-D79 PolarHBondContact O-N 3.5Å
78N31.1Very low30.1Very low131 Ų131157.1 Ų157.170%0.70178%0.783SS**SBendtrans-23.193.9132.6-83.2-24.8000112.3W76 L82W76-N78 PolarHBondContact O-N 2.85Å; N78-L82 HydrophobicContact CB-CD1 3.85Å
79D31.5Very low30.3Very low140 Ų140155.6 Ų155.675%0.74978%0.779SS**  trans-15621.4171.2-111-21.7000116.2N77N77-D79 PolarHBondContact O-N 3.5Å
80V34Very low30.6Very low128 Ų128153 Ų15378%0.77678%0.777SS**SBendtrans-126.2-4.3172.1-1780000114.6
81L34.6Very low31Very low93 Ų93149.9 Ų149.949%0.48778%0.775SS.*SBendtrans-14519.8-177-104.2134.3000116.9
82L29.9Very low31.9Very low130 Ų130140.7 Ų140.768%0.68175%0.748SS**  trans-111.461.4175.7-80.6161.7000112N78N78-L82 HydrophobicContact CB-CD1 3.85Å
83R28.2Very low33.3Very low247 Ų247131.6 Ų131.693%0.93273%0.726SS**  trans-152.975.4162.3-76.4-162.2173.1138.60.3111.1
84A31.8Very low34.8Very low101 Ų101130.3 Ų130.384%0.83572%0.718SS**  trans-157.560.316000000110.5
85E30Very low36.7Very low190 Ų190128.2 Ų128.289%0.88871%0.712SS**  trans-117.3103.5160.9-78.2-169.8163.300108.3
86S31.5Very low38.8Very low113 Ų113126.1 Ų126.179%0.7970%0.697SS**  trans151.3131.1139.755.80000111.7
87S30.2Very low40.8Very low112 Ų112117.3 Ų117.378%0.78367%0.668SS**  trans93.9127.8160.577.20000120.3
88S32.2Very low42.9Very low90 Ų90114.9 Ų114.963%0.62966%0.655SS**  trans83.273.8156.460.70000121.7
89I34.2Very low45.1Very low160 Ų160113.3 Ų113.382%0.82164%0.643SS**THydrogen-bonded Turn28.599.7120-49.3174.3000118
90H35.5Very low47.2Very low190 Ų190112 Ų11288%0.8863%0.627SS**THydrogen-bonded Turntrans80.217.5144.4-77.726.2000121.7
91S39.3Very low49.3Very low111 Ų111107.5 Ų107.578%0.77660%0.599SS**SBendtrans-135.53.9156.182.90000115.1
92S46.5Very low51.5Low52 Ų52108.3 Ų108.336%0.36460%0.6SS.*  trans-81.7-24.8-17168.70000115.1V94 A95 E96S92-V94 PolarHBondContact O-N 3.39Å; S92-A95 PolarHBondContact O-N 3.47Å; S92-E96 WeakPolarHBondContact CB-OE1 3.36Å; S92-E96 PolarHBondContact O-N 3.01Å; S92-E96 PolarHBondContact OG-OE1 3.42Å; S92-E96 VanDerWaalsContact OG-OE1 3.09Å
93G53.9Low54Low38 Ų38104 Ų10439%0.39258%0.576SS.*Hα-helixtrans-64-33.2-167.400000115.4D97G93-D97 PolarHBondContact O-N 2.92Å; G93-D97 VanDerWaalsContact O-N 3.16Å
94V60.3Low56.3Low98 Ų9892.3 Ų92.359%0.59453%0.532SS*.Hα-helixtrans-70.2-41.7-179.5-178.10000111.2S92 D97 D98S92-V94 PolarHBondContact O-N 3.39Å; V94-D97 PolarHBondContact O-N 3.27Å; V94-D98 PolarHBondContact O-N 3.22Å; V94-D98 VanDerWaalsContact O-N 3.08Å
95A66.9Low58.7Low67 Ų6791.9 Ų91.955%0.55451%0.514SS*.Hα-helixtrans-68.5-39.118000000111.8S92 D98 H99S92-A95 PolarHBondContact O-N 3.47Å; A95-D98 PolarHBondContact O-N 3.43Å; A95-H99 PolarHBondContact O-N 2.99Å
96E71.3Confident61.3Low100 Ų10089.5 Ų89.547%0.46750%0.501SS..Hα-helixtrans-61.4-43.9174.3-73172.3-148.300111.8S92 H99 R100S92-E96 WeakPolarHBondContact CB-OE1 3.36Å; S92-E96 PolarHBondContact O-N 3.01Å; S92-E96 PolarHBondContact OG-OE1 3.42Å; S92-E96 VanDerWaalsContact OG-OE1 3.09Å; E96-H99 PolarHBondContact O-N 3.38Å; E96-R100 WeakPolarHBondContact O-CG 3.18Å; E96-R100 PolarHBondContact O-N 3.3Å
97D71.1Confident63.7Low51 Ų5187.1 Ų87.127%0.27348%0.479SS..Hα-helixtrans-66.6-37.3178.6-75.5-14.9000112.6G93 V94 L101 K166 M170G93-D97 PolarHBondContact O-N 2.92Å; G93-D97 VanDerWaalsContact O-N 3.16Å; V94-D97 PolarHBondContact O-N 3.27Å; D97-L101 WeakPolarHBondContact O-CB 3.49Å; D97-L101 PolarHBondContact O-N 3.47Å; D97-K166 VanDerWaalsContact CB-NZ 3.34Å; D97-M170 HydrophobicContact CB-CE 4.25Å; D97-M170 HydrophobicContact CB-SD 4.42Å; D97-M170 WeakPolarHBondContact OD1-CE 3.09Å
98D75.9Confident66.6Low71 Ų7184.2 Ų84.238%0.3846%0.457SS..Hα-helixtrans-68.8-38.8177.1-71.3-16.7000111.2V94 A95 L101 E102 K166V94-D98 PolarHBondContact O-N 3.22Å; V94-D98 VanDerWaalsContact O-N 3.08Å; A95-D98 PolarHBondContact O-N 3.43Å; D98-L101 WeakPolarHBondContact O-CB 3.45Å; D98-L101 PolarHBondContact O-N 2.92Å; D98-E102 PolarHBondContact O-N 3.38Å; D98-K166 IonicContact OD1-NZ 3.89Å; D98-K166 PolarHBondContact OD1-NZ 3.33Å
99H79Confident69.4Low98 Ų9880.4 Ų80.445%0.45443%0.432SS..Hα-helixtrans-62-45.9174-171.861.2000112.1A95 E96 L101 E102 E103A95-H99 PolarHBondContact O-N 2.99Å; E96-H99 PolarHBondContact O-N 3.38Å; H99-L101 VanDerWaalsContact C-N 3.3Å; H99-L101 PolarHBondContact O-N 2.91Å; H99-E102 WeakPolarHBondContact O-CB 3.4Å; H99-E102 PolarHBondContact O-N 3.34Å; H99-E103 IonicContact NE2-OE1 3.14Å; H99-E103 WeakPolarHBondContact O-CG 3.31Å; H99-E103 PolarHBondContact O-N 3.46Å
100R75.8Confident72.2Confident111 Ų11175.4 Ų75.442%0.41941%0.406SS..Hα-helixtrans-60.8-40.3175.3-72.7177.7179-174.11.7111.9E96 E102 E103 I104E96-R100 WeakPolarHBondContact O-CG 3.18Å; E96-R100 PolarHBondContact O-N 3.3Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-E102 PolarHBondContact O-N 3.05Å; R100-E103 PolarHBondContact O-N 2.89Å; R100-I104 VanDerWaalsContact O-CD1 3.23Å; R100-I104 WeakPolarHBondContact O-CD1 3.33Å; R100-I104 WeakPolarHBondContact O-CG1 3.19Å; R100-I104 PolarHBondContact O-N 3.06Å
101L77.2Confident75Confident35 Ų3566.3 Ų66.318%0.18336%0.364CS..Hα-helixtrans-57.9-45.5175.7-179.365.2000111.1D97 D98 H99 I104 M105 I169D97-L101 WeakPolarHBondContact O-CB 3.49Å; D97-L101 PolarHBondContact O-N 3.47Å; D98-L101 WeakPolarHBondContact O-CB 3.45Å; D98-L101 PolarHBondContact O-N 2.92Å; H99-L101 VanDerWaalsContact C-N 3.3Å; H99-L101 PolarHBondContact O-N 2.91Å; L101-I104 PolarHBondContact O-N 3.49Å; L101-M105 HydrophobicContact CG-SD 4.49Å; L101-M105 WeakPolarHBondContact O-CB 3.42Å; L101-M105 VanDerWaalsContact O-CG 3.28Å; L101-M105 WeakPolarHBondContact O-CG 3.29Å; L101-M105 PolarHBondContact O-N 3.43Å; L101-I169 HydrophobicContact CD1-CB 3.54Å; L101-I169 HydrophobicContact CD1-CD1 3.5Å; L101-I169 HydrophobicContact CD1-CG1 4.11Å; L101-I169 HydrophobicContact CD1-CG2 3.34Å
102E81.2Confident77.5Confident109 Ų10967.1 Ų67.151%0.50935%0.35SS..Hα-helixtrans-62.2-41.3175.2-69.5178.6177.100112.7D98 H99 R100 M105 K106D98-E102 PolarHBondContact O-N 3.38Å; H99-E102 WeakPolarHBondContact O-CB 3.4Å; H99-E102 PolarHBondContact O-N 3.34Å; R100-E102 VanDerWaalsContact C-N 3.31Å; R100-E102 PolarHBondContact O-N 3.05Å; E102-M105 PolarHBondContact O-N 3.33Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 2.92Å
103E81.5Confident79.6Confident39 Ų3965.5 Ų65.518%0.18234%0.337CS..Hα-helixtrans-60.6-44.8176.4-69.7-175.3144.700112.1H99 R100 M105 K106 L107H99-E103 IonicContact NE2-OE1 3.14Å; H99-E103 WeakPolarHBondContact O-CG 3.31Å; H99-E103 PolarHBondContact O-N 3.46Å; R100-E103 PolarHBondContact O-N 2.89Å; E103-M105 VanDerWaalsContact C-N 3.31Å; E103-M105 PolarHBondContact O-N 2.75Å; E103-K106 WeakPolarHBondContact O-CB 3.43Å; E103-K106 PolarHBondContact O-N 2.8Å; E103-K106 VanDerWaalsContact O-N 3.1Å; E103-L107 PolarHBondContact O-N 3.28Å
104I77.8Confident81.2Confident2 Ų265.7 Ų65.71%0.0134%0.34CS..Hα-helixtrans-67.1-37.9178.4-59.2152.4000110.3R100 L101 K106 L107 T108 I169 L172 D173 I192R100-I104 VanDerWaalsContact O-CD1 3.23Å; R100-I104 WeakPolarHBondContact O-CD1 3.33Å; R100-I104 WeakPolarHBondContact O-CG1 3.19Å; R100-I104 PolarHBondContact O-N 3.06Å; L101-I104 PolarHBondContact O-N 3.49Å; I104-K106 PolarHBondContact O-N 3.16Å; I104-L107 WeakPolarHBondContact O-CB 3.45Å; I104-L107 PolarHBondContact O-N 3.28Å; I104-T108 PolarHBondContact O-N 3.37Å; I104-I169 HydrophobicContact CB-CG2 3.85Å; I104-I169 HydrophobicContact CD1-CG2 4.01Å; I104-I169 WeakPolarHBondContact CD1-O 3.45Å; I104-I169 HydrophobicContact CG2-CG2 3.52Å; I104-L172 HydrophobicContact CG2-CD2 4.4Å; I104-D173 HydrophobicContact CD1-CB 3.62Å; I104-D173 HydrophobicContact CG1-CB 3.8Å; I104-I192 HydrophobicContact CG2-CD1 4.39Å
105M81.6Confident82.5Confident92 Ų9269.3 Ų69.345%0.45336%0.356SS..Hα-helixtrans-63.7-27.5173.9-72.3-173.480.600112.4L101 E102 E103 L107 T108L101-M105 HydrophobicContact CG-SD 4.49Å; L101-M105 WeakPolarHBondContact O-CB 3.42Å; L101-M105 VanDerWaalsContact O-CG 3.28Å; L101-M105 WeakPolarHBondContact O-CG 3.29Å; L101-M105 PolarHBondContact O-N 3.43Å; E102-M105 PolarHBondContact O-N 3.33Å; E103-M105 VanDerWaalsContact C-N 3.31Å; E103-M105 PolarHBondContact O-N 2.75Å; M105-L107 VanDerWaalsContact C-N 3.29Å; M105-L107 PolarHBondContact O-N 3.15Å; M105-T108 WeakPolarHBondContact O-CB 3.24Å; M105-T108 WeakPolarHBondContact O-CG2 3.47Å; M105-T108 PolarHBondContact O-N 3.02Å
106K83.5Confident83.7Confident141 Ų14172.2 Ų72.261%0.61336%0.358SS*.Hα-helixtrans-71.1-23.6172-67.4166.7-169.6168.30113E102 E103 I104 T108E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 2.92Å; E103-K106 WeakPolarHBondContact O-CB 3.43Å; E103-K106 PolarHBondContact O-N 2.8Å; E103-K106 VanDerWaalsContact O-N 3.1Å; I104-K106 PolarHBondContact O-N 3.16Å; K106-T108 VanDerWaalsContact C-N 3.33Å
107L83.2Confident84.8Confident62 Ų6271.8 Ų71.833%0.32536%0.362SS..Hα-helixtrans-82.1-11.8177.4-60177.3000113E103 I104 M105 G109 I110 L176E103-L107 PolarHBondContact O-N 3.28Å; I104-L107 WeakPolarHBondContact O-CB 3.45Å; I104-L107 PolarHBondContact O-N 3.28Å; M105-L107 VanDerWaalsContact C-N 3.29Å; M105-L107 PolarHBondContact O-N 3.15Å; L107-G109 PolarHBondContact O-N 2.83Å; L107-I110 PolarHBondContact O-N 2.8Å; L107-L176 HydrophobicContact CB-CD1 4.41Å; L107-L176 HydrophobicContact CD1-CD1 4.02Å
108T89.7Confident86Confident51 Ų5171.4 Ų71.431%0.31336%0.358SS..THydrogen-bonded Turntrans-58.1137.7175-163.50000111I104 M105 K106 I110 I192I104-T108 PolarHBondContact O-N 3.37Å; M105-T108 WeakPolarHBondContact O-CB 3.24Å; M105-T108 WeakPolarHBondContact O-CG2 3.47Å; M105-T108 PolarHBondContact O-N 3.02Å; K106-T108 VanDerWaalsContact C-N 3.33Å; T108-I110 VanDerWaalsContact C-N 3.27Å; T108-I110 PolarHBondContact O-N 3.1Å; T108-I192 PolarHBondContact OG1-N 2.88Å
109G92.3Very high86.9Confident11 Ų1179.3 Ų79.311%0.11338%0.383CS..THydrogen-bonded Turntrans75.512.9179.700000114.8L107 R119 A120 C190L107-G109 PolarHBondContact O-N 2.83Å; G109-R119 CarbonylContact O-C 3.12Å; G109-R119 WeakPolarHBondContact O-CA 3.34Å; G109-A120 WeakPolarHBondContact CA-O 3.47Å; G109-A120 PolarHBondContact O-N 2.83Å; G109-C190 PolarHBondContact N-O 3.09Å
110I92.7Very high87.6Confident54 Ų5475 Ų7528%0.27736%0.363SS..EExtended strand (participates in β ladder)trans-109.6121.9170.4-60.3177000108.5L107 T108 T117 F118 G189L107-I110 PolarHBondContact O-N 2.8Å; T108-I110 VanDerWaalsContact C-N 3.27Å; T108-I110 PolarHBondContact O-N 3.1Å; I110-T117 HydrophobicContact CG2-CG2 3.32Å; I110-F118 WeakPolarHBondContact CA-O 3.35Å; I110-G189 WeakPolarHBondContact O-CA 3.38Å
111L93.9Very high88.5Confident0 Ų077.2 Ų77.20%037%0.372CS..EExtended strand (participates in β ladder)trans-111.8128.3173.3-61.4-173.5000110.5T117 F118 A120 F144 L188 F191 C200L111-T117 WeakPolarHBondContact O-CA 3.37Å; L111-F118 PolarHBondContact N-O 3.47Å; L111-F118 PolarHBondContact O-N 3.48Å; L111-A120 HydrophobicContact CD1-CB 3.84Å; L111-A120 HydrophobicContact CG-CB 3.86Å; L111-F144 HydrophobicContact CD1-CD2 3.95Å; L111-F144 HydrophobicContact CD1-CE2 3.9Å; L111-F144 HydrophobicContact CD1-CG 4.38Å; L111-F144 HydrophobicContact CD1-CZ 4.26Å; L111-L188 CarbonylContact C-O 3.5Å; L111-L188 WeakPolarHBondContact CA-O 3.23Å; L111-F191 HydrophobicContact CD1-CE2 4.42Å; L111-F191 HydrophobicContact CD1-CZ 4Å; L111-F191 HydrophobicContact CD2-CE2 4.29Å; L111-F191 HydrophobicContact CD2-CZ 4.14Å; L111-F191 HydrophobicContact CG-CZ 4.12Å; L111-C200 HydrophobicContact CD2-CB 3.72Å
112R92.2Very high89.2Confident127 Ų12777.6 Ų77.648%0.47938%0.376SS..EExtended strand (participates in β ladder)trans-104.6107.4175.6-65.4-179.7176.8174.2-0.3109.3E116 T117 L188R112-E116 CarbonylContact C-O 3.56Å; R112-E116 WeakPolarHBondContact CA-O 3.46Å; R112-T117 HydrophobicContact CG-CG2 4.34Å; R112-L188 PolarHBondContact N-O 3.42Å; R112-L188 WeakPolarHBondContact O-CD2 3.31Å
113I91.4Very high89.9Confident18 Ų1875.6 Ų75.69%0.09238%0.375CS..EExtended strand (participates in β ladder)trans-121.7123.2-178.7-54.4178.1000108.2N115 E116 F118 F144 D149 L188I113-N115 PolarHBondContact O-N 3.32Å; I113-E116 PolarHBondContact N-O 2.95Å; I113-E116 PolarHBondContact O-N 3.46Å; I113-F118 HydrophobicContact CB-CD2 4.47Å; I113-F118 HydrophobicContact CB-CE2 4.15Å; I113-F144 HydrophobicContact CD1-CB 4.42Å; I113-F144 HydrophobicContact CD1-CD1 3.39Å; I113-F144 HydrophobicContact CD1-CE1 3.9Å; I113-F144 HydrophobicContact CD1-CG 4.14Å; I113-D149 HydrophobicContact CD1-CB 4.4Å; I113-D149 HydrophobicContact CG2-CB 4.34Å; I113-D149 WeakPolarHBondContact CG2-OD2 3.44Å; I113-L188 HydrophobicContact CG1-CD1 4.39Å
114G87.1Confident90.6Very high43 Ų4374.8 Ų74.844%0.44337%0.371SS..THydrogen-bonded Turntrans60.2-122.1-168.500000111R186G114-R186 PolarHBondContact O-NH2 2.88Å
115N87.2Confident91.5Very high174 Ų17475.3 Ų75.393%0.9337%0.374SS*.THydrogen-bonded Turntrans-103.94.6176.2-66.3-8000112.5I113I113-N115 PolarHBondContact O-N 3.32Å
116E93Very high92.2Very high128 Ų12873.6 Ų73.660%0.59837%0.367SS*.EExtended strand (participates in β ladder)trans-105.5150.1-175.6-63.7-173.9129.900111R112 I113 F118R112-E116 CarbonylContact C-O 3.56Å; R112-E116 WeakPolarHBondContact CA-O 3.46Å; I113-E116 PolarHBondContact N-O 2.95Å; I113-E116 PolarHBondContact O-N 3.46Å; E116-F118 HydrophobicContact CB-CD2 4.43Å; E116-F118 HydrophobicContact CB-CE2 3.49Å; E116-F118 VanDerWaalsContact CB-CE2 3.49Å; E116-F118 HydrophobicContact CB-CZ 3.59Å; E116-F118 HydrophobicContact CG-CZ 4.46Å; E116-F118 WeakPolarHBondContact OE2-CZ 3.46Å
117T93.8Very high92.8Very high91 Ų9173 Ų7356%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-120126.9178.7-61.10000109.2I110 L111 R112I110-T117 HydrophobicContact CG2-CG2 3.32Å; L111-T117 WeakPolarHBondContact O-CA 3.37Å; R112-T117 HydrophobicContact CG-CG2 4.34Å
118F95.4Very high93.4Very high43 Ų4373.3 Ų73.319%0.18937%0.37CS..EExtended strand (participates in β ladder)trans-118.7134.2-175.4-58.3-88.9000110.3I110 L111 I113 E116 F144 T147I110-F118 WeakPolarHBondContact CA-O 3.35Å; L111-F118 PolarHBondContact N-O 3.47Å; L111-F118 PolarHBondContact O-N 3.48Å; I113-F118 HydrophobicContact CB-CD2 4.47Å; I113-F118 HydrophobicContact CB-CE2 4.15Å; E116-F118 HydrophobicContact CB-CD2 4.43Å; E116-F118 HydrophobicContact CB-CE2 3.49Å; E116-F118 VanDerWaalsContact CB-CE2 3.49Å; E116-F118 HydrophobicContact CB-CZ 3.59Å; E116-F118 HydrophobicContact CG-CZ 4.46Å; E116-F118 WeakPolarHBondContact OE2-CZ 3.46Å; F118-F144 HydrophobicContact CB-CE1 3.92Å; F118-F144 HydrophobicContact CB-CZ 3.75Å; F118-F144 HydrophobicContact CD1-CE1 4.18Å; F118-F144 HydrophobicContact CD2-CE1 4.03Å; F118-F144 AromaticContact CG-CE1 3.77Å; F118-F144 HydrophobicContact CG-CE1 3.77Å; F118-F144 HydrophobicContact CG-CZ 4.09Å; F118-T147 HydrophobicContact CD1-CG2 4.3Å; F118-T147 HydrophobicContact CD2-CG2 4.39Å; F118-T147 HydrophobicContact CE1-CG2 3.59Å; F118-T147 HydrophobicContact CE2-CG2 3.7Å; F118-T147 HydrophobicContact CZ-CG2 3.25Å
119R94.7Very high93.6Very high237 Ų23772.3 Ų72.389%0.89437%0.37SS*.EExtended strand (participates in β ladder)trans-80119.9162.5-161.7175-154.5-174.85.7108.1G109G109-R119 CarbonylContact O-C 3.12Å; G109-R119 WeakPolarHBondContact O-CA 3.34Å
120A94.9Very high93.5Very high6 Ų678.1 Ų78.15%0.0539%0.394CS..  trans-127.8160.3-172.500000110.8G109 L111 F144 F191G109-A120 WeakPolarHBondContact CA-O 3.47Å; G109-A120 PolarHBondContact O-N 2.83Å; L111-A120 HydrophobicContact CD1-CB 3.84Å; L111-A120 HydrophobicContact CG-CB 3.86Å; A120-F144 HydrophobicContact CB-CE2 3.62Å; A120-F144 HydrophobicContact CB-CZ 3.98Å; A120-F191 HydrophobicContact CB-CE1 3.89Å; A120-F191 HydrophobicContact CB-CZ 3.77Å; A120-F191 WeakPolarHBondContact O-CE1 3.34Å
121R94Very high93.2Very high158 Ų15877.9 Ų77.960%0.59639%0.393SS*.  trans-124.3157.7167.5-63.6170.8-64.7-179.13.5109.2S123 D124R121-S123 WeakPolarHBondContact CB-OG 3.37Å; R121-S123 PolarHBondContact O-N 3.37Å; R121-S123 VanDerWaalsContact O-N 3.11Å; R121-D124 WeakPolarHBondContact CB-OD2 3.44Å; R121-D124 PolarHBondContact N-OD2 3.02Å; R121-D124 IonicContact NE-OD2 3.73Å; R121-D124 IonicContact NH2-OD1 3.8Å; R121-D124 VanDerWaalsContact O-CB 3.32Å; R121-D124 WeakPolarHBondContact O-CB 3.5Å; R121-D124 PolarHBondContact O-N 3.12Å
122P93.3Very high92.5Very high43 Ų4379.1 Ų79.128%0.27941%0.405SS..G310 helixtrans-52.8-33.5171.7-27.635.8000112.8D124 L125 F191 W198P122-D124 PolarHBondContact O-N 3.39Å; P122-L125 WeakPolarHBondContact O-CB 3.3Å; P122-L125 PolarHBondContact O-N 3.35Å; P122-F191 HydrophobicContact CG-CB 3.93Å; P122-F191 HydrophobicContact CG-CD1 3.99Å; P122-F191 HydrophobicContact CG-CD2 4.34Å; P122-F191 HydrophobicContact CG-CG 3.82Å; P122-W198 HydrophobicContact CB-CE3 4.12Å; P122-W198 HydrophobicContact CB-CH2 3.98Å; P122-W198 HydrophobicContact CB-CZ2 4.49Å; P122-W198 HydrophobicContact CB-CZ3 3.78Å
123S94.7Very high91.6Very high67 Ų6779.5 Ų79.547%0.46941%0.412SS..G310 helixtrans-60.2-23.5175.859.70000113.6R121 L125 R145R121-S123 WeakPolarHBondContact CB-OG 3.37Å; R121-S123 PolarHBondContact O-N 3.37Å; R121-S123 VanDerWaalsContact O-N 3.11Å; S123-L125 PolarHBondContact O-N 3.48Å; S123-R145 PolarHBondContact O-NH1 3.22Å; S123-R145 PolarHBondContact O-NH2 3.44Å
124D96.4Very high90.2Very high22 Ų2281.1 Ų81.112%0.11843%0.433CS..G310 helixtrans-80.60.9-178.4-54.6-36.6000113.3R121 P122 F144 R145R121-D124 WeakPolarHBondContact CB-OD2 3.44Å; R121-D124 PolarHBondContact N-OD2 3.02Å; R121-D124 IonicContact NE-OD2 3.73Å; R121-D124 IonicContact NH2-OD1 3.8Å; R121-D124 VanDerWaalsContact O-CB 3.32Å; R121-D124 WeakPolarHBondContact O-CB 3.5Å; R121-D124 PolarHBondContact O-N 3.12Å; P122-D124 PolarHBondContact O-N 3.39Å; D124-F144 HydrophobicContact CB-CE2 4.17Å; D124-R145 PolarHBondContact O-N 3.12Å; D124-R145 IonicContact OD1-NH2 2.82Å
125L96.9Very high88.7Confident13 Ų1381.6 Ų81.67%0.06843%0.427CS..EExtended strand (participates in β ladder)trans-108.2119.9179.2-64.5173.4000111.5P122 S123 M142 R143 F144 I151 V153 F191 W198P122-L125 WeakPolarHBondContact O-CB 3.3Å; P122-L125 PolarHBondContact O-N 3.35Å; S123-L125 PolarHBondContact O-N 3.48Å; L125-M142 HydrophobicContact CB-CB 4.25Å; L125-M142 HydrophobicContact CB-SD 3.82Å; L125-M142 HydrophobicContact CD1-SD 3.94Å; L125-M142 HydrophobicContact CD2-CB 4.41Å; L125-M142 HydrophobicContact CG-SD 4.45Å; L125-R143 CarbonylContact C-O 3.59Å; L125-R143 WeakPolarHBondContact CA-O 3.3Å; L125-F144 HydrophobicContact CD2-CB 3.95Å; L125-F144 HydrophobicContact CD2-CD2 3.86Å; L125-F144 HydrophobicContact CD2-CG 4.36Å; L125-I151 HydrophobicContact CD2-CD1 3.65Å; L125-I151 HydrophobicContact CD2-CG1 4.36Å; L125-V153 HydrophobicContact CD1-CG2 4.17Å; L125-F191 HydrophobicContact CD1-CD2 4.46Å; L125-F191 HydrophobicContact CD1-CE2 3.67Å; L125-F191 HydrophobicContact CD1-CZ 4.36Å; L125-W198 HydrophobicContact CD1-CE3 4.18Å; L125-W198 HydrophobicContact CD1-CZ3 4.21Å
126D96.8Very high87.5Confident56 Ų5674 Ų7430%0.29939%0.387SS..EExtended strand (participates in β ladder)trans-91.4121.9173.1-59.8-30.8000110.1L128 M142 R143 R145D126-L128 PolarHBondContact O-N 2.68Å; D126-M142 CarbonylContact O-C 3.53Å; D126-M142 WeakPolarHBondContact O-CA 3.31Å; D126-R143 HydrophobicContact CB-CB 4.31Å; D126-R143 PolarHBondContact N-O 2.85Å; D126-R143 PolarHBondContact O-N 3.27Å; D126-R145 WeakPolarHBondContact OD1-CD 3.47Å; D126-R145 IonicContact OD1-CZ 3.62Å; D126-R145 IonicContact OD1-NE 2.78Å; D126-R145 IonicContact OD1-NH1 3.57Å; D126-R145 PolarHBondContact OD1-NH1 2.84Å; D126-R145 VanDerWaalsContact OD2-CD 3.27Å; D126-R145 WeakPolarHBondContact OD2-CD 3.5Å; D126-R145 WeakPolarHBondContact OD2-CG 3.32Å
127M95.9Very high86.6Confident128 Ų12869.1 Ų69.163%0.63137%0.372SS*.EExtended strand (participates in β ladder)trans-70.2126.8174.9179.3166.133.800111.4V140 M142M127-V140 HydrophobicContact SD-CG1 4.35Å; M127-M142 HydrophobicContact CB-CE 4.12Å
128L96.1Very high86.1Confident70 Ų7067.7 Ų67.737%0.36636%0.359SS..EExtended strand (participates in β ladder)trans-107.8-21.7-179.2-58.6-177.5000113.4D126 K141 R143 I150D126-L128 PolarHBondContact O-N 2.68Å; L128-K141 HydrophobicContact CB-CB 4.42Å; L128-K141 HydrophobicContact CB-CD 4.42Å; L128-K141 HydrophobicContact CB-CG 4.26Å; L128-K141 HydrophobicContact CD1-CG 4.35Å; L128-K141 PolarHBondContact N-O 2.96Å; L128-R143 HydrophobicContact CD1-CB 4.09Å; L128-R143 HydrophobicContact CD2-CB 4.41Å; L128-R143 HydrophobicContact CG-CB 4.35Å; L128-I150 HydrophobicContact CD1-CD1 3.65Å; L128-I150 HydrophobicContact CD1-CG2 4.14Å
129G93.1Very high85.9Confident30 Ų3067.1 Ų67.131%0.30936%0.359SS..EExtended strand (participates in β ladder)trans159.7170.3177.800000112.8K141G129-K141 PolarHBondContact N-O 3.47Å; G129-K141 PolarHBondContact O-N 3.25Å
130E91.1Very high85.8Confident133 Ų13355.9 Ų55.962%0.62132%0.316SS*.EExtended strand (participates in β ladder)trans-83.6136.2178.9-66.3173-176.700111.1H133 V140E130-H133 IonicContact OE2-CE1 2.67Å; E130-H133 PolarHBondContact OE2-CE1 2.89Å; E130-H133 IonicContact OE2-NE2 3.73Å; E130-V140 HydrophobicContact CG-CG1 4.41Å
131L86.4Confident85.9Confident49 Ų4959.2 Ų59.226%0.25733%0.33SS..EExtended strand (participates in β ladder)trans-98.3-32.7173.2-65.9173.7000111.2V139 K141 A152 L203 K210L131-V139 WeakPolarHBondContact CA-O 3.09Å; L131-V139 HydrophobicContact CB-CB 4.33Å; L131-V139 HydrophobicContact CB-CG1 4.14Å; L131-V139 WeakPolarHBondContact CB-O 3.2Å; L131-V139 HydrophobicContact CD1-CG1 4.11Å; L131-V139 PolarHBondContact N-O 3.37Å; L131-K141 HydrophobicContact CD1-CB 4.01Å; L131-K141 HydrophobicContact CD2-CB 3.96Å; L131-K141 HydrophobicContact CG-CB 3.85Å; L131-A152 HydrophobicContact CD1-CB 3.86Å; L131-L203 HydrophobicContact CD1-CD1 3.54Å; L131-L203 HydrophobicContact CD2-CD1 4.25Å; L131-K210 WeakPolarHBondContact O-CE 3.3Å; L131-K210 PolarHBondContact O-NZ 2.86Å
132G77.4Confident86.1Confident25 Ų2552 Ų5226%0.25830%0.303SS..EExtended strand (participates in β ladder)trans173.9166177.400000113.5V139G132-V139 PolarHBondContact N-O 3.01Å; G132-V139 VanDerWaalsContact N-O 3.11Å; G132-V139 PolarHBondContact O-N 3.08Å
133H73.2Confident86.3Confident136 Ų13654.7 Ų54.763%0.6331%0.307SS*.EExtended strand (participates in β ladder)trans-115.9127.9174.7-65.188.1000108.3E130E130-H133 IonicContact OE2-CE1 2.67Å; E130-H133 PolarHBondContact OE2-CE1 2.89Å; E130-H133 IonicContact OE2-NE2 3.73Å
134G62.5Low86.4Confident51 Ų5151.5 Ų51.553%0.52629%0.285SS..EExtended strand (participates in β ladder)trans-116.3174.9176.100000111.2C136 G137G134-C136 PolarHBondContact O-N 2.86Å; G134-G137 PolarHBondContact N-O 2.87Å; G134-G137 VanDerWaalsContact O-O 3.08Å
135T55.9Low86.5Confident53 Ų5356 Ų5633%0.32530%0.3SS..THydrogen-bonded Turntrans-62.8-23173.849.20000112.7V274 K277 C285T135-V274 WeakPolarHBondContact OG1-CG2 3.44Å; T135-K277 PolarHBondContact O-NZ 3.13Å; T135-C285 HydrophobicContact CG2-CB 4.17Å
136C62.5Low86.4Confident14 Ų1459.1 Ų59.110%0.09532%0.321CS..THydrogen-bonded Turntrans-104.8-1.3-172.6-58.40000114.2G134 M156 L273G134-C136 PolarHBondContact O-N 2.86Å; C136-M156 WeakPolarHBondContact O-CG 3.46Å; C136-L273 HydrophobicContact CB-CD1 3.98Å
137G72.9Confident86.3Confident26 Ų2658.7 Ų58.727%0.26832%0.321SS..EExtended strand (participates in β ladder)trans150.5-162.6-175.500000111.8G134 Q155G134-G137 PolarHBondContact N-O 2.87Å; G134-G137 VanDerWaalsContact O-O 3.08Å; G137-Q155 WeakPolarHBondContact CA-O 3.38Å
138H84.5Confident86.3Confident61 Ų6154.4 Ų54.428%0.28231%0.31SS..EExtended strand (participates in β ladder)trans-122.3149.8175.569.1-67000110.2Q155H138-Q155 PolarHBondContact CE1-OE1 2.97Å; H138-Q155 PolarHBondContact N-O 3.02Å; H138-Q155 PolarHBondContact NE2-OE1 3.3Å; H138-Q155 PolarHBondContact O-N 3.24Å
139V89.8Confident86.3Confident32 Ų3254.4 Ų54.419%0.19431%0.31CS..EExtended strand (participates in β ladder)trans-113.7126.7-179.1-172.40000107.4L131 G132 A152 V153 K154L131-V139 WeakPolarHBondContact CA-O 3.09Å; L131-V139 HydrophobicContact CB-CB 4.33Å; L131-V139 HydrophobicContact CB-CG1 4.14Å; L131-V139 WeakPolarHBondContact CB-O 3.2Å; L131-V139 HydrophobicContact CD1-CG1 4.11Å; L131-V139 PolarHBondContact N-O 3.37Å; G132-V139 PolarHBondContact N-O 3.01Å; G132-V139 VanDerWaalsContact N-O 3.11Å; G132-V139 PolarHBondContact O-N 3.08Å; V139-A152 HydrophobicContact CG1-CB 4.33Å; V139-V153 WeakPolarHBondContact CA-O 3.34Å; V139-K154 HydrophobicContact CG2-CB 4.22Å; V139-K154 HydrophobicContact CG2-CD 4.47Å; V139-K154 HydrophobicContact CG2-CG 4.19Å
140V94Very high86.5Confident0 Ų055.8 Ų55.80%031%0.31CS..EExtended strand (participates in β ladder)trans-122.1147.5-176.5-67.90000110.5M127 E130 M142 V153M127-V140 HydrophobicContact SD-CG1 4.35Å; E130-V140 HydrophobicContact CG-CG1 4.41Å; V140-M142 HydrophobicContact CG2-CE 3.6Å; V140-M142 HydrophobicContact CG2-CG 3.98Å; V140-M142 HydrophobicContact CG2-SD 3.94Å; V140-V153 HydrophobicContact CG2-CB 4.06Å; V140-V153 WeakPolarHBondContact CG2-O 3.47Å; V140-V153 PolarHBondContact N-O 3.11Å; V140-V153 PolarHBondContact O-N 3.43Å
141K96.3Very high86.8Confident77 Ų7749.6 Ų49.634%0.33528%0.281SS..EExtended strand (participates in β ladder)trans-85.4124.7171.6-172.6178.9179.6177.50107.6L128 G129 L131 I150 L203L128-K141 HydrophobicContact CB-CB 4.42Å; L128-K141 HydrophobicContact CB-CD 4.42Å; L128-K141 HydrophobicContact CB-CG 4.26Å; L128-K141 HydrophobicContact CD1-CG 4.35Å; L128-K141 PolarHBondContact N-O 2.96Å; G129-K141 PolarHBondContact N-O 3.47Å; G129-K141 PolarHBondContact O-N 3.25Å; L131-K141 HydrophobicContact CD1-CB 4.01Å; L131-K141 HydrophobicContact CD2-CB 3.96Å; L131-K141 HydrophobicContact CG-CB 3.85Å; K141-I150 HydrophobicContact CD-CG2 4.16Å; K141-I150 HydrophobicContact CG-CG2 3.79Å; K141-L203 HydrophobicContact CD-CD2 4.35Å; K141-L203 HydrophobicContact CG-CD2 4.34Å
142M97.8Very high87.2Confident6 Ų647.7 Ų47.73%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-129.4150.6-179.6-65.9-176.8151.400111.2L125 D126 M127 V140 I150 I151 V153 W198L125-M142 HydrophobicContact CB-CB 4.25Å; L125-M142 HydrophobicContact CB-SD 3.82Å; L125-M142 HydrophobicContact CD1-SD 3.94Å; L125-M142 HydrophobicContact CD2-CB 4.41Å; L125-M142 HydrophobicContact CG-SD 4.45Å; D126-M142 CarbonylContact O-C 3.53Å; D126-M142 WeakPolarHBondContact O-CA 3.31Å; M127-M142 HydrophobicContact CB-CE 4.12Å; V140-M142 HydrophobicContact CG2-CE 3.6Å; V140-M142 HydrophobicContact CG2-CG 3.98Å; V140-M142 HydrophobicContact CG2-SD 3.94Å; M142-I150 CarbonylContact O-C 3.46Å; M142-I150 WeakPolarHBondContact O-CA 3.16Å; M142-I151 HydrophobicContact CB-CG1 4.32Å; M142-I151 PolarHBondContact N-O 2.81Å; M142-I151 PolarHBondContact O-N 3.34Å; M142-V153 HydrophobicContact CB-CG2 4Å; M142-V153 HydrophobicContact CG-CB 4.33Å; M142-V153 HydrophobicContact CG-CG2 3.98Å; M142-V153 HydrophobicContact SD-CB 3.68Å; M142-V153 HydrophobicContact SD-CG1 4.05Å; M142-V153 HydrophobicContact SD-CG2 3.51Å; M142-V153 VanDerWaalsContact SD-CG2 3.51Å; M142-W198 HydrophobicContact CE-CH2 4.27Å; M142-W198 HydrophobicContact CE-CZ3 3.94Å; M142-W198 HydrophobicContact SD-CZ3 4.15Å
143R98.1Very high88Confident100 Ų10046.5 Ų46.538%0.37726%0.26SS..EExtended strand (participates in β ladder)trans-97.7126.4167.3-176.5-179.8-64.4120.8-1109.1L125 D126 L128 R145 D149 I150L125-R143 CarbonylContact C-O 3.59Å; L125-R143 WeakPolarHBondContact CA-O 3.3Å; D126-R143 HydrophobicContact CB-CB 4.31Å; D126-R143 PolarHBondContact N-O 2.85Å; D126-R143 PolarHBondContact O-N 3.27Å; L128-R143 HydrophobicContact CD1-CB 4.09Å; L128-R143 HydrophobicContact CD2-CB 4.41Å; L128-R143 HydrophobicContact CG-CB 4.35Å; R143-R145 PolarHBondContact O-N 3.46Å; R143-D149 CarbonylContact C-O 3.5Å; R143-D149 WeakPolarHBondContact CA-O 3.14Å; R143-I150 HydrophobicContact CB-CD1 3.9Å; R143-I150 HydrophobicContact CG-CD1 3.91Å
144F97.6Very high88.7Confident0 Ų040.3 Ų40.30%023%0.231CC..EExtended strand (participates in β ladder)trans-80.7107.4167.7-176.9-127.4000109.3L111 I113 F118 A120 D124 L125 P146 T147 G148 D149L111-F144 HydrophobicContact CD1-CD2 3.95Å; L111-F144 HydrophobicContact CD1-CE2 3.9Å; L111-F144 HydrophobicContact CD1-CG 4.38Å; L111-F144 HydrophobicContact CD1-CZ 4.26Å; I113-F144 HydrophobicContact CD1-CB 4.42Å; I113-F144 HydrophobicContact CD1-CD1 3.39Å; I113-F144 HydrophobicContact CD1-CE1 3.9Å; I113-F144 HydrophobicContact CD1-CG 4.14Å; F118-F144 HydrophobicContact CB-CE1 3.92Å; F118-F144 HydrophobicContact CB-CZ 3.75Å; F118-F144 HydrophobicContact CD1-CE1 4.18Å; F118-F144 HydrophobicContact CD2-CE1 4.03Å; F118-F144 AromaticContact CG-CE1 3.77Å; F118-F144 HydrophobicContact CG-CE1 3.77Å; F118-F144 HydrophobicContact CG-CZ 4.09Å; A120-F144 HydrophobicContact CB-CE2 3.62Å; A120-F144 HydrophobicContact CB-CZ 3.98Å; D124-F144 HydrophobicContact CB-CE2 4.17Å; L125-F144 HydrophobicContact CD2-CB 3.95Å; L125-F144 HydrophobicContact CD2-CD2 3.86Å; L125-F144 HydrophobicContact CD2-CG 4.36Å; F144-P146 VanDerWaalsContact C-CD 3.47Å; F144-P146 HydrophobicContact CD1-CB 4.38Å; F144-P146 HydrophobicContact CD1-CG 4.46Å; F144-P146 HydrophobicContact CD2-CG 4.24Å; F144-P146 HydrophobicContact CE1-CB 3.8Å; F144-P146 HydrophobicContact CE1-CG 3.91Å; F144-P146 HydrophobicContact CE2-CB 4.43Å; F144-P146 VanDerWaalsContact CE2-CD 3.44Å; F144-P146 HydrophobicContact CE2-CG 3.62Å; F144-P146 HydrophobicContact CZ-CB 3.83Å; F144-P146 HydrophobicContact CZ-CG 3.45Å; F144-P146 VanDerWaalsContact CZ-CG 3.45Å; F144-T147 HydrophobicContact CD1-CG2 3.98Å; F144-T147 WeakPolarHBondContact CD1-OG1 3.33Å; F144-T147 HydrophobicContact CE1-CG2 3.96Å; F144-T147 PolarHBondContact O-N 3.47Å; F144-G148 WeakPolarHBondContact O-CA 3.18Å; F144-G148 PolarHBondContact O-N 3.12Å; F144-D149 PolarHBondContact N-O 3.25Å
145R96.9Very high90Very high115 Ų11538.9 Ų38.943%0.43421%0.211SC..THydrogen-bonded Turntrans-57-41-171.9-71.2-162-59.7-86.21114.7S123 D124 D126 R143 T147S123-R145 PolarHBondContact O-NH1 3.22Å; S123-R145 PolarHBondContact O-NH2 3.44Å; D124-R145 PolarHBondContact O-N 3.12Å; D124-R145 IonicContact OD1-NH2 2.82Å; D126-R145 WeakPolarHBondContact OD1-CD 3.47Å; D126-R145 IonicContact OD1-CZ 3.62Å; D126-R145 IonicContact OD1-NE 2.78Å; D126-R145 IonicContact OD1-NH1 3.57Å; D126-R145 PolarHBondContact OD1-NH1 2.84Å; D126-R145 VanDerWaalsContact OD2-CD 3.27Å; D126-R145 WeakPolarHBondContact OD2-CD 3.5Å; D126-R145 WeakPolarHBondContact OD2-CG 3.32Å; R143-R145 PolarHBondContact O-N 3.46Å; R145-T147 VanDerWaalsContact C-N 3.28Å; R145-T147 PolarHBondContact O-N 3.37Å
146P95.3Very high91.3Very high79 Ų7936.6 Ų36.651%0.51320%0.196SC..THydrogen-bonded Turntrans-58.9-33.2-177.1-29.939.4000115F144F144-P146 VanDerWaalsContact C-CD 3.47Å; F144-P146 HydrophobicContact CD1-CB 4.38Å; F144-P146 HydrophobicContact CD1-CG 4.46Å; F144-P146 HydrophobicContact CD2-CG 4.24Å; F144-P146 HydrophobicContact CE1-CB 3.8Å; F144-P146 HydrophobicContact CE1-CG 3.91Å; F144-P146 HydrophobicContact CE2-CB 4.43Å; F144-P146 VanDerWaalsContact CE2-CD 3.44Å; F144-P146 HydrophobicContact CE2-CG 3.62Å; F144-P146 HydrophobicContact CZ-CB 3.83Å; F144-P146 HydrophobicContact CZ-CG 3.45Å; F144-P146 VanDerWaalsContact CZ-CG 3.45Å
147T95.2Very high92.2Very high48 Ų4840.8 Ų40.829%0.29423%0.225SC..THydrogen-bonded Turntrans-113.3-16.9-178.566.40000113.4F118 F144 R145 D149F118-T147 HydrophobicContact CD1-CG2 4.3Å; F118-T147 HydrophobicContact CD2-CG2 4.39Å; F118-T147 HydrophobicContact CE1-CG2 3.59Å; F118-T147 HydrophobicContact CE2-CG2 3.7Å; F118-T147 HydrophobicContact CZ-CG2 3.25Å; F144-T147 HydrophobicContact CD1-CG2 3.98Å; F144-T147 WeakPolarHBondContact CD1-OG1 3.33Å; F144-T147 HydrophobicContact CE1-CG2 3.96Å; F144-T147 PolarHBondContact O-N 3.47Å; R145-T147 VanDerWaalsContact C-N 3.28Å; R145-T147 PolarHBondContact O-N 3.37Å; T147-D149 WeakPolarHBondContact CB-OD2 3.33Å; T147-D149 PolarHBondContact O-N 3.23Å; T147-D149 WeakPolarHBondContact OG1-CB 3.25Å; T147-D149 PolarHBondContact OG1-N 3.42Å; T147-D149 PolarHBondContact OG1-OD2 3.11Å
148G95.6Very high92.4Very high38 Ų3842.3 Ų42.339%0.39222%0.222SC..  trans79-1.4-170.900000114.2F144F144-G148 WeakPolarHBondContact O-CA 3.18Å; F144-G148 PolarHBondContact O-N 3.12Å
149D96.4Very high91.9Very high70 Ų7041.3 Ų41.337%0.37422%0.222SC..  trans-60.7144.3-179.8-76.8-70.2000112I113 R143 F144 T147 I151I113-D149 HydrophobicContact CD1-CB 4.4Å; I113-D149 HydrophobicContact CG2-CB 4.34Å; I113-D149 WeakPolarHBondContact CG2-OD2 3.44Å; R143-D149 CarbonylContact C-O 3.5Å; R143-D149 WeakPolarHBondContact CA-O 3.14Å; F144-D149 PolarHBondContact N-O 3.25Å; T147-D149 WeakPolarHBondContact CB-OD2 3.33Å; T147-D149 PolarHBondContact O-N 3.23Å; T147-D149 WeakPolarHBondContact OG1-CB 3.25Å; T147-D149 PolarHBondContact OG1-N 3.42Å; T147-D149 PolarHBondContact OG1-OD2 3.11Å; D149-I151 HydrophobicContact CB-CG2 4.47Å
150I96.9Very high91Very high59 Ų5944 Ų4430%0.30326%0.256SS..EExtended strand (participates in β ladder)trans-105.4119.8179.8-49.7-65.9000108.4L128 K141 M142 R143 L203L128-I150 HydrophobicContact CD1-CD1 3.65Å; L128-I150 HydrophobicContact CD1-CG2 4.14Å; K141-I150 HydrophobicContact CD-CG2 4.16Å; K141-I150 HydrophobicContact CG-CG2 3.79Å; M142-I150 CarbonylContact O-C 3.46Å; M142-I150 WeakPolarHBondContact O-CA 3.16Å; R143-I150 HydrophobicContact CB-CD1 3.9Å; R143-I150 HydrophobicContact CG-CD1 3.91Å; I150-L203 HydrophobicContact CB-CD2 4.48Å; I150-L203 HydrophobicContact CG2-CD2 3.75Å
151I96.5Very high90.2Very high3 Ų347.6 Ų47.62%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-124.9161.6-171.366.2170.1000111.3L125 M142 D149 V153 L188 C200L125-I151 HydrophobicContact CD2-CD1 3.65Å; L125-I151 HydrophobicContact CD2-CG1 4.36Å; M142-I151 HydrophobicContact CB-CG1 4.32Å; M142-I151 PolarHBondContact N-O 2.81Å; M142-I151 PolarHBondContact O-N 3.34Å; D149-I151 HydrophobicContact CB-CG2 4.47Å; I151-V153 HydrophobicContact CD1-CG2 3.82Å; I151-V153 HydrophobicContact CG1-CG2 3.96Å; I151-L188 HydrophobicContact CB-CD1 4.06Å; I151-L188 HydrophobicContact CG2-CD1 3.44Å; I151-L188 VanDerWaalsContact CG2-CD1 3.44Å; I151-C200 HydrophobicContact CD1-CB 4.01Å
152A95.2Very high89.3Confident8 Ų851.9 Ų51.97%0.06629%0.294CS..EExtended strand (participates in β ladder)trans-95.6134.6167.300000109.2L131 V139 M201 L203L131-A152 HydrophobicContact CD1-CB 3.86Å; V139-A152 HydrophobicContact CG1-CB 4.33Å; A152-M201 HydrophobicContact CB-CB 4.49Å; A152-M201 PolarHBondContact N-O 2.62Å; A152-M201 PolarHBondContact O-N 2.89Å; A152-L203 HydrophobicContact CB-CD1 4.11Å
153V94Very high88.3Confident0 Ų057.1 Ų57.10%032%0.319CS..EExtended strand (participates in β ladder)trans-123.8119.3177.4-176.60000108.9L125 V139 V140 M142 I151 Q155 W198 I199L125-V153 HydrophobicContact CD1-CG2 4.17Å; V139-V153 WeakPolarHBondContact CA-O 3.34Å; V140-V153 HydrophobicContact CG2-CB 4.06Å; V140-V153 WeakPolarHBondContact CG2-O 3.47Å; V140-V153 PolarHBondContact N-O 3.11Å; V140-V153 PolarHBondContact O-N 3.43Å; M142-V153 HydrophobicContact CB-CG2 4Å; M142-V153 HydrophobicContact CG-CB 4.33Å; M142-V153 HydrophobicContact CG-CG2 3.98Å; M142-V153 HydrophobicContact SD-CB 3.68Å; M142-V153 HydrophobicContact SD-CG1 4.05Å; M142-V153 HydrophobicContact SD-CG2 3.51Å; M142-V153 VanDerWaalsContact SD-CG2 3.51Å; I151-V153 HydrophobicContact CD1-CG2 3.82Å; I151-V153 HydrophobicContact CG1-CG2 3.96Å; V153-Q155 HydrophobicContact CG1-CG 4.15Å; V153-W198 HydrophobicContact CG1-CB 4.01Å; V153-W198 HydrophobicContact CG1-CD2 4.3Å; V153-W198 HydrophobicContact CG1-CE3 3.92Å; V153-W198 HydrophobicContact CG1-CG 4.38Å; V153-I199 WeakPolarHBondContact CA-O 3.22Å
154K89.7Confident87Confident6 Ų654.6 Ų54.63%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-93.8118.6173.1179.4169.1176.3171.20109.1V139 M156 W198 I199 M201 D266 S270V139-K154 HydrophobicContact CG2-CB 4.22Å; V139-K154 HydrophobicContact CG2-CD 4.47Å; V139-K154 HydrophobicContact CG2-CG 4.19Å; K154-M156 HydrophobicContact CD-SD 4.39Å; K154-M156 HydrophobicContact CG-CG 4.08Å; K154-M156 HydrophobicContact CG-SD 4.47Å; K154-W198 CarbonylContact O-C 3.57Å; K154-W198 WeakPolarHBondContact O-CA 3.37Å; K154-I199 HydrophobicContact CB-CB 4.43Å; K154-I199 PolarHBondContact N-O 3.11Å; K154-I199 PolarHBondContact O-N 3.11Å; K154-M201 HydrophobicContact CB-CE 3.71Å; K154-D266 WeakPolarHBondContact CD-OD1 3.44Å; K154-D266 IonicContact NZ-OD1 3.69Å; K154-D266 PolarHBondContact NZ-OD1 3.22Å; K154-D266 IonicContact NZ-OD2 2.79Å; K154-D266 PolarHBondContact NZ-OD2 2.8Å; K154-S270 PolarHBondContact NZ-OG 2.82Å
155Q89.1Confident86Confident21 Ų2155.2 Ų55.210%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-103.6123.1-179.7-64-179.1-19.800109.5G137 H138 V153 W198G137-Q155 WeakPolarHBondContact CA-O 3.38Å; H138-Q155 PolarHBondContact CE1-OE1 2.97Å; H138-Q155 PolarHBondContact N-O 3.02Å; H138-Q155 PolarHBondContact NE2-OE1 3.3Å; H138-Q155 PolarHBondContact O-N 3.24Å; V153-Q155 HydrophobicContact CG1-CG 4.15Å; Q155-W198 HydrophobicContact CG-CD2 3.98Å; Q155-W198 HydrophobicContact CG-CG 4.03Å; Q155-W198 VanDerWaalsContact NE2-CE2 3.34Å; Q155-W198 VanDerWaalsContact NE2-CH2 3.26Å
156M82.9Confident85.1Confident6 Ų652 Ų523%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-125.9131.3-178.6-56.2-177.9-61.900109.4C136 K154 I168 E196 V197 I199 I269 L273C136-M156 WeakPolarHBondContact O-CG 3.46Å; K154-M156 HydrophobicContact CD-SD 4.39Å; K154-M156 HydrophobicContact CG-CG 4.08Å; K154-M156 HydrophobicContact CG-SD 4.47Å; M156-I168 HydrophobicContact CE-CG2 4.32Å; M156-E196 CarbonylContact O-C 3.55Å; M156-E196 VanDerWaalsContact O-CA 3.32Å; M156-E196 WeakPolarHBondContact O-CA 3.43Å; M156-V197 HydrophobicContact CE-CB 4.02Å; M156-V197 HydrophobicContact CE-CG1 3.86Å; M156-V197 PolarHBondContact N-O 3.34Å; M156-V197 PolarHBondContact O-N 3.17Å; M156-I199 HydrophobicContact CE-CD1 3.51Å; M156-I199 HydrophobicContact CE-CG1 4.02Å; M156-I269 HydrophobicContact CE-CG2 4Å; M156-I269 HydrophobicContact SD-CG2 4.03Å; M156-L273 HydrophobicContact SD-CD1 4.31Å
157C80.6Confident84.1Confident102 Ų10254.9 Ų54.969%0.68930%0.304SS*.EExtended strand (participates in β ladder)trans-75.1133.6173.3-56.20000109.5
158R78.2Confident83.1Confident57 Ų5753.1 Ų53.122%0.21529%0.293CS..PPolyproline II helixtrans-74.8134.5167.9-65.9-178.969.4-179-0.1108.5N165 T193 S195 V197R158-N165 WeakPolarHBondContact CB-OD1 3.18Å; R158-T193 WeakPolarHBondContact CD-O 3.46Å; R158-T193 PolarHBondContact NH1-O 2.98Å; R158-S195 PolarHBondContact N-O 3.02Å; R158-V197 HydrophobicContact CG-CG2 3.76Å
159S74.2Confident82.2Confident41 Ų4151.5 Ų51.529%0.28728%0.275SS..PPolyproline II helixtrans-80.5165.5171.371.80000109.3N161 E164 N165S159-N161 PolarHBondContact O-N 2.92Å; S159-N161 WeakPolarHBondContact OG-CB 3.37Å; S159-N161 PolarHBondContact OG-N 3.44Å; S159-E164 VanDerWaalsContact CB-OE2 3.26Å; S159-E164 WeakPolarHBondContact CB-OE2 3.23Å; S159-E164 PolarHBondContact OG-OE2 3.39Å; S159-N165 PolarHBondContact N-OD1 3.27Å; S159-N165 PolarHBondContact O-ND2 3.26Å
160G70.8Confident81.2Confident87 Ų8750.3 Ų50.390%0.89727%0.268SS*.SBendtrans-68.7-2.8168.300000113.4K162G160-K162 PolarHBondContact O-N 2.93Å
161N76.5Confident80.1Confident77 Ų7747.9 Ų47.941%0.41226%0.255SS..  trans-83.9113.5-178.6-175.8-48.6000109.8S159 E163 E164 N165S159-N161 PolarHBondContact O-N 2.92Å; S159-N161 WeakPolarHBondContact OG-CB 3.37Å; S159-N161 PolarHBondContact OG-N 3.44Å; N161-E163 WeakPolarHBondContact OD1-CB 3.4Å; N161-E163 PolarHBondContact OD1-N 2.95Å; N161-E163 PolarHBondContact OD1-OE2 2.99Å; N161-E163 VanDerWaalsContact OD1-OE2 3.04Å; N161-E164 HydrophobicContact CB-CB 3.96Å; N161-E164 PolarHBondContact OD1-N 3.3Å; N161-N165 PolarHBondContact O-N 2.87Å; N161-N165 VanDerWaalsContact O-N 3.1Å; N161-N165 PolarHBondContact O-ND2 2.92Å
162K78.1Confident79.4Confident166 Ų16647.7 Ų47.772%0.72226%0.255SS*.Hα-helixtrans-66.9-38.1-176.3-71.3-174.4177.5-177.10111.8G160 N165 K166G160-K162 PolarHBondContact O-N 2.93Å; K162-N165 PolarHBondContact O-N 3.45Å; K162-K166 WeakPolarHBondContact O-CB 3.33Å; K162-K166 PolarHBondContact O-N 3.25Å
163E75.9Confident78.6Confident117 Ų11748.2 Ų48.255%0.54726%0.256SS..Hα-helixtrans-68.1-40.1-179.2-63.271-157.200111.4N161 R167N161-E163 WeakPolarHBondContact OD1-CB 3.4Å; N161-E163 PolarHBondContact OD1-N 2.95Å; N161-E163 PolarHBondContact OD1-OE2 2.99Å; N161-E163 VanDerWaalsContact OD1-OE2 3.04Å; E163-R167 WeakPolarHBondContact O-CD 3.49Å; E163-R167 VanDerWaalsContact O-CG 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.39Å; E163-R167 PolarHBondContact O-N 3.27Å
164E71.5Confident77.9Confident47 Ų4749.1 Ų49.122%0.2226%0.262CS..Hα-helixtrans-63.3-48.5173.6-172.4178.1-159.400110.7S159 N161 K166 R167 I168 L273S159-E164 VanDerWaalsContact CB-OE2 3.26Å; S159-E164 WeakPolarHBondContact CB-OE2 3.23Å; S159-E164 PolarHBondContact OG-OE2 3.39Å; N161-E164 HydrophobicContact CB-CB 3.96Å; N161-E164 PolarHBondContact OD1-N 3.3Å; E164-K166 PolarHBondContact O-N 3.41Å; E164-R167 PolarHBondContact O-N 2.92Å; E164-I168 HydrophobicContact CG-CD1 4.24Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; E164-I168 PolarHBondContact O-N 2.84Å; E164-L273 HydrophobicContact CG-CD2 4.15Å; E164-L273 WeakPolarHBondContact OE1-CD2 3.41Å
165N75.9Confident77.5Confident13 Ų1349.3 Ų49.37%0.0726%0.263CS..Hα-helixtrans-61.1-43.1177.1-73.6-26.7000112.5R158 S159 N161 K162 R167 I168 I169R158-N165 WeakPolarHBondContact CB-OD1 3.18Å; S159-N165 PolarHBondContact N-OD1 3.27Å; S159-N165 PolarHBondContact O-ND2 3.26Å; N161-N165 PolarHBondContact O-N 2.87Å; N161-N165 VanDerWaalsContact O-N 3.1Å; N161-N165 PolarHBondContact O-ND2 2.92Å; K162-N165 PolarHBondContact O-N 3.45Å; N165-R167 VanDerWaalsContact C-N 3.31Å; N165-R167 PolarHBondContact O-N 2.82Å; N165-I168 PolarHBondContact O-N 3.48Å; N165-I169 VanDerWaalsContact O-CG1 3.29Å; N165-I169 WeakPolarHBondContact O-CG1 3.26Å; N165-I169 PolarHBondContact O-N 3.23Å
166K79Confident77.1Confident46 Ų4649.8 Ų49.820%0.227%0.266CS..Hα-helixtrans-58.1-45.5176.1-177168.5176.6167.30110.4D97 D98 K162 E164 I169 M170D97-K166 VanDerWaalsContact CB-NZ 3.34Å; D98-K166 IonicContact OD1-NZ 3.89Å; D98-K166 PolarHBondContact OD1-NZ 3.33Å; K162-K166 WeakPolarHBondContact O-CB 3.33Å; K162-K166 PolarHBondContact O-N 3.25Å; E164-K166 PolarHBondContact O-N 3.41Å; K166-I169 PolarHBondContact O-N 3.13Å; K166-M170 HydrophobicContact CG-SD 4.11Å; K166-M170 WeakPolarHBondContact O-CB 3.46Å; K166-M170 VanDerWaalsContact O-CG 3.25Å; K166-M170 WeakPolarHBondContact O-CG 3.34Å; K166-M170 PolarHBondContact O-N 3.2Å
167R73.4Confident77Confident140 Ų14054 Ų5453%0.52828%0.282SS..Hα-helixtrans-64-40.4176.4-70.7168.2-174168.24.7113.4E163 E164 N165 D171 R272E163-R167 WeakPolarHBondContact O-CD 3.49Å; E163-R167 VanDerWaalsContact O-CG 3.23Å; E163-R167 WeakPolarHBondContact O-CG 3.39Å; E163-R167 PolarHBondContact O-N 3.27Å; E164-R167 PolarHBondContact O-N 2.92Å; N165-R167 VanDerWaalsContact C-N 3.31Å; N165-R167 PolarHBondContact O-N 2.82Å; R167-D171 PolarHBondContact O-N 3.45Å; R167-D171 VanDerWaalsContact O-N 3.09Å; R167-R272 PolarHBondContact O-NH1 3.19Å
168I74.1Confident77Confident12 Ų1249.2 Ų49.26%0.06225%0.249CC..Hα-helixtrans-60.8-47.4175.5-68.7166.4000110M156 E164 N165 D171 L172 V197 I269 L273M156-I168 HydrophobicContact CE-CG2 4.32Å; E164-I168 HydrophobicContact CG-CD1 4.24Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; E164-I168 PolarHBondContact O-N 2.84Å; N165-I168 PolarHBondContact O-N 3.48Å; I168-D171 PolarHBondContact O-N 3.36Å; I168-L172 PolarHBondContact O-N 3.48Å; I168-V197 HydrophobicContact CG2-CG2 4.47Å; I168-I269 HydrophobicContact CG1-CG2 4.36Å; I168-I269 HydrophobicContact CG2-CG2 3.95Å; I168-L273 HydrophobicContact CD1-CD1 4.5Å; I168-L273 HydrophobicContact CD1-CD2 3.95Å; I168-L273 HydrophobicContact CG1-CD2 4.28Å
169I77.5Confident77.1Confident4 Ų451 Ų512%0.02126%0.26CS..Hα-helixtrans-67.7-42.8-177.4-61.5166.4000110.2L101 I104 N165 K166 D171 L172 D173 I192L101-I169 HydrophobicContact CD1-CB 3.54Å; L101-I169 HydrophobicContact CD1-CD1 3.5Å; L101-I169 HydrophobicContact CD1-CG1 4.11Å; L101-I169 HydrophobicContact CD1-CG2 3.34Å; I104-I169 HydrophobicContact CB-CG2 3.85Å; I104-I169 HydrophobicContact CD1-CG2 4.01Å; I104-I169 WeakPolarHBondContact CD1-O 3.45Å; I104-I169 HydrophobicContact CG2-CG2 3.52Å; N165-I169 VanDerWaalsContact O-CG1 3.29Å; N165-I169 WeakPolarHBondContact O-CG1 3.26Å; N165-I169 PolarHBondContact O-N 3.23Å; K166-I169 PolarHBondContact O-N 3.13Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 3.04Å; I169-L172 WeakPolarHBondContact O-CB 3.48Å; I169-L172 PolarHBondContact O-N 3.02Å; I169-D173 PolarHBondContact O-N 3.05Å; I169-I192 HydrophobicContact CD1-CG2 4.48Å; I169-I192 HydrophobicContact CG1-CD1 4.34Å; I169-I192 HydrophobicContact CG2-CD1 4.21Å
170M76Confident77.5Confident45 Ų4556 Ų5622%0.22228%0.279CS..Hα-helixtrans-58.7-38.7174.8-71.6176.579.900113D97 K166 L172 D173D97-M170 HydrophobicContact CB-CE 4.25Å; D97-M170 HydrophobicContact CB-SD 4.42Å; D97-M170 WeakPolarHBondContact OD1-CE 3.09Å; K166-M170 HydrophobicContact CG-SD 4.11Å; K166-M170 WeakPolarHBondContact O-CB 3.46Å; K166-M170 VanDerWaalsContact O-CG 3.25Å; K166-M170 WeakPolarHBondContact O-CG 3.34Å; K166-M170 PolarHBondContact O-N 3.2Å; M170-L172 VanDerWaalsContact C-N 3.31Å; M170-D173 VanDerWaalsContact O-CB 3.3Å; M170-D173 WeakPolarHBondContact O-CB 3.34Å; M170-D173 PolarHBondContact O-N 3Å
171D73.7Confident78.5Confident7 Ų752.3 Ų52.34%0.03724%0.239CC..Hα-helixtrans-72.8-25.8176.2-76.7-12.2000112.7R167 I168 I169 D173 V174 V175 I269 R272R167-D171 PolarHBondContact O-N 3.45Å; R167-D171 VanDerWaalsContact O-N 3.09Å; I168-D171 PolarHBondContact O-N 3.36Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 3.04Å; D171-D173 VanDerWaalsContact C-N 3.25Å; D171-D173 PolarHBondContact O-N 2.94Å; D171-V174 PolarHBondContact O-N 2.95Å; D171-V175 WeakPolarHBondContact O-CG2 3.29Å; D171-V175 PolarHBondContact O-N 3.39Å; D171-V175 VanDerWaalsContact O-N 3.08Å; D171-I269 HydrophobicContact CB-CB 4.45Å; D171-I269 HydrophobicContact CB-CD1 4.43Å; D171-I269 HydrophobicContact CB-CG1 3.43Å; D171-I269 VanDerWaalsContact CB-CG1 3.43Å; D171-R272 IonicContact OD1-CZ 2.69Å; D171-R272 IonicContact OD1-NE 3.65Å; D171-R272 IonicContact OD1-NH1 2.93Å; D171-R272 PolarHBondContact OD1-NH1 2.83Å; D171-R272 IonicContact OD1-NH2 2.87Å; D171-R272 PolarHBondContact OD1-NH2 3.45Å; D171-R272 WeakPolarHBondContact OD2-CD 3.21Å; D171-R272 IonicContact OD2-CZ 2.75Å; D171-R272 IonicContact OD2-NE 3.2Å; D171-R272 PolarHBondContact OD2-NE 2.56Å; D171-R272 VanDerWaalsContact OD2-NE 3.15Å; D171-R272 IonicContact OD2-NH1 2.91Å; D171-R272 PolarHBondContact OD2-NH1 2.59Å; D171-R272 IonicContact OD2-NH2 3.96Å
172L80.4Confident79.3Confident0 Ų052.3 Ų52.30%024%0.243CC..Hα-helixtrans-63.7-32.4174.5-17061.7000112.1I104 I168 I169 M170 V174 V175 L176 C190 I192 V197 I199 I269I104-L172 HydrophobicContact CG2-CD2 4.4Å; I168-L172 PolarHBondContact O-N 3.48Å; I169-L172 WeakPolarHBondContact O-CB 3.48Å; I169-L172 PolarHBondContact O-N 3.02Å; M170-L172 VanDerWaalsContact C-N 3.31Å; L172-V174 VanDerWaalsContact C-N 3.29Å; L172-V174 PolarHBondContact O-N 3.25Å; L172-V175 HydrophobicContact CD1-CB 4.36Å; L172-V175 WeakPolarHBondContact O-CB 3.46Å; L172-V175 PolarHBondContact O-N 3.49Å; L172-L176 HydrophobicContact CG-CD1 4.27Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 2.65Å; L172-C190 HydrophobicContact CD1-CB 4.24Å; L172-C190 HydrophobicContact CD2-CB 3.77Å; L172-C190 VanDerWaalsContact CD2-SG 3.52Å; L172-C190 HydrophobicContact CG-CB 4.39Å; L172-I192 HydrophobicContact CD2-CD1 3.93Å; L172-I192 HydrophobicContact CD2-CG1 4.24Å; L172-V197 HydrophobicContact CD2-CG1 4.31Å; L172-I199 HydrophobicContact CD1-CD1 3.77Å; L172-I199 HydrophobicContact CD1-CG1 3.83Å; L172-I199 HydrophobicContact CD1-CG2 4.36Å; L172-I269 HydrophobicContact CB-CD1 4.36Å; L172-I269 HydrophobicContact CD1-CD1 4.17Å
173D79.7Confident80.2Confident18 Ų1846.8 Ų46.810%0.09622%0.219CC..Hα-helixtrans-55-47.1171.4-173.845.2000111.4I104 I169 M170 D171 V175 L176 R177I104-D173 HydrophobicContact CD1-CB 3.62Å; I104-D173 HydrophobicContact CG1-CB 3.8Å; I169-D173 PolarHBondContact O-N 3.05Å; M170-D173 VanDerWaalsContact O-CB 3.3Å; M170-D173 WeakPolarHBondContact O-CB 3.34Å; M170-D173 PolarHBondContact O-N 3Å; D171-D173 VanDerWaalsContact C-N 3.25Å; D171-D173 PolarHBondContact O-N 2.94Å; D173-V175 VanDerWaalsContact C-N 3.34Å; D173-V175 PolarHBondContact O-N 2.88Å; D173-L176 PolarHBondContact O-N 3.3Å; D173-R177 VanDerWaalsContact CG-CZ 3.44Å; D173-R177 VanDerWaalsContact CG-NH2 3.26Å; D173-R177 WeakPolarHBondContact O-CB 3.39Å; D173-R177 VanDerWaalsContact O-CG 3.25Å; D173-R177 WeakPolarHBondContact O-CG 3.12Å; D173-R177 PolarHBondContact O-N 3.26Å; D173-R177 IonicContact OD1-CZ 2.86Å; D173-R177 IonicContact OD1-NE 3.05Å; D173-R177 PolarHBondContact OD1-NE 3.17Å; D173-R177 IonicContact OD1-NH2 2.68Å; D173-R177 PolarHBondContact OD1-NH2 3.14Å; D173-R177 IonicContact OD2-CZ 3.87Å; D173-R177 IonicContact OD2-NE 2.65Å; D173-R177 PolarHBondContact OD2-NE 2.84Å; D173-R177 IonicContact OD2-NH1 2.87Å; D173-R177 IonicContact OD2-NH2 3.84Å; D173-R177 PolarHBondContact OD2-NH2 3.18Å
174V78Confident81Confident20 Ų2041.3 Ų41.312%0.12119%0.194CC..Hα-helixtrans-67.5-38178.4-177.60000111.2D171 L172 L176 R177 S178 H242 I244 F267D171-V174 PolarHBondContact O-N 2.95Å; L172-V174 VanDerWaalsContact C-N 3.29Å; L172-V174 PolarHBondContact O-N 3.25Å; V174-L176 VanDerWaalsContact C-N 3.28Å; V174-L176 PolarHBondContact O-N 2.9Å; V174-R177 PolarHBondContact O-N 2.84Å; V174-R177 VanDerWaalsContact O-N 3.17Å; V174-S178 WeakPolarHBondContact O-CB 3.34Å; V174-S178 PolarHBondContact O-N 2.85Å; V174-H242 HydrophobicContact CG1-CB 3.54Å; V174-I244 HydrophobicContact CB-CD1 3.54Å; V174-I244 HydrophobicContact CG1-CD1 3.36Å; V174-I244 HydrophobicContact CG1-CG1 4.08Å; V174-I244 HydrophobicContact CG2-CD1 3.72Å; V174-I244 HydrophobicContact CG2-CG1 4.4Å; V174-F267 HydrophobicContact CG1-CE2 4.36Å
175V82.1Confident82.1Confident10 Ų1039.3 Ų39.36%0.06119%0.185CC..Hα-helixtrans-60.7-38.7173.9177.50000111.9D171 L172 D173 S178 C187 I199 F267 I269D171-V175 WeakPolarHBondContact O-CG2 3.29Å; D171-V175 PolarHBondContact O-N 3.39Å; D171-V175 VanDerWaalsContact O-N 3.08Å; L172-V175 HydrophobicContact CD1-CB 4.36Å; L172-V175 WeakPolarHBondContact O-CB 3.46Å; L172-V175 PolarHBondContact O-N 3.49Å; D173-V175 VanDerWaalsContact C-N 3.34Å; D173-V175 PolarHBondContact O-N 2.88Å; V175-S178 PolarHBondContact O-OG 3.22Å; V175-C187 HydrophobicContact CG1-CB 3.61Å; V175-C187 VanDerWaalsContact O-CB 3.3Å; V175-C187 WeakPolarHBondContact O-CB 3.45Å; V175-I199 HydrophobicContact CG1-CG2 4.42Å; V175-F267 HydrophobicContact CB-CE2 4.14Å; V175-F267 HydrophobicContact CB-CZ 3.98Å; V175-F267 HydrophobicContact CG1-CZ 4.11Å; V175-F267 HydrophobicContact CG2-CD2 4.16Å; V175-F267 HydrophobicContact CG2-CE1 4.39Å; V175-F267 HydrophobicContact CG2-CE2 3.48Å; V175-F267 VanDerWaalsContact CG2-CE2 3.48Å; V175-F267 HydrophobicContact CG2-CZ 3.63Å; V175-I269 HydrophobicContact CG2-CD1 3.67Å; V175-I269 HydrophobicContact CG2-CG1 4.28Å
176L81.5Confident82.8Confident30 Ų3042.7 Ų42.716%0.15720%0.197CC..Hα-helixtrans-72.1-30.5176.4-68.5167000112.2L107 L172 D173 V174 H179 C187L107-L176 HydrophobicContact CB-CD1 4.41Å; L107-L176 HydrophobicContact CD1-CD1 4.02Å; L172-L176 HydrophobicContact CG-CD1 4.27Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.47Å; L172-L176 PolarHBondContact O-N 2.65Å; D173-L176 PolarHBondContact O-N 3.3Å; V174-L176 VanDerWaalsContact C-N 3.28Å; V174-L176 PolarHBondContact O-N 2.9Å; L176-H179 PolarHBondContact O-ND1 3.23Å; L176-C187 HydrophobicContact CD2-CB 4.49Å
177R80.9Confident83.4Confident96 Ų9641 Ų4136%0.36219%0.19SC..Hα-helixtrans-84.9-19179.5-69.1175.7-165.4-157.35.8114.1D173 V174 H179D173-R177 VanDerWaalsContact CG-CZ 3.44Å; D173-R177 VanDerWaalsContact CG-NH2 3.26Å; D173-R177 WeakPolarHBondContact O-CB 3.39Å; D173-R177 VanDerWaalsContact O-CG 3.25Å; D173-R177 WeakPolarHBondContact O-CG 3.12Å; D173-R177 PolarHBondContact O-N 3.26Å; D173-R177 IonicContact OD1-CZ 2.86Å; D173-R177 IonicContact OD1-NE 3.05Å; D173-R177 PolarHBondContact OD1-NE 3.17Å; D173-R177 IonicContact OD1-NH2 2.68Å; D173-R177 PolarHBondContact OD1-NH2 3.14Å; D173-R177 IonicContact OD2-CZ 3.87Å; D173-R177 IonicContact OD2-NE 2.65Å; D173-R177 PolarHBondContact OD2-NE 2.84Å; D173-R177 IonicContact OD2-NH1 2.87Å; D173-R177 IonicContact OD2-NH2 3.84Å; D173-R177 PolarHBondContact OD2-NH2 3.18Å; V174-R177 PolarHBondContact O-N 2.84Å; V174-R177 VanDerWaalsContact O-N 3.17Å; R177-H179 PolarHBondContact O-N 3.01Å; R177-H179 PolarHBondContact O-ND1 2.9Å
178S80.5Confident84.4Confident0 Ų035 Ų350%017%0.168CC..G310 helixtrans-74.914.8-176.7760000115.2V174 V175 E180 C181 F267V174-S178 WeakPolarHBondContact O-CB 3.34Å; V174-S178 PolarHBondContact O-N 2.85Å; V175-S178 PolarHBondContact O-OG 3.22Å; S178-E180 PolarHBondContact O-N 3.16Å; S178-C181 PolarHBondContact O-N 2.98Å; S178-F267 WeakPolarHBondContact OG-CZ 3.44Å
179H80Confident85.2Confident95 Ų9534.5 Ų34.544%0.4417%0.167SC..G310 helixtrans-68-18.4-173.665.2-82000113.9L176 R177L176-H179 PolarHBondContact O-ND1 3.23Å; R177-H179 PolarHBondContact O-N 3.01Å; R177-H179 PolarHBondContact O-ND1 2.9Å
180E82.2Confident85.9Confident146 Ų14634.3 Ų34.368%0.68217%0.166SC*.G310 helixtrans-76.6-22.1178.9-60.1-173.9163.300113.1S178 P182S178-E180 PolarHBondContact O-N 3.16Å; E180-P182 WeakPolarHBondContact O-CD 3.44Å
181C91.4Very high86.7Confident9 Ų932.4 Ų32.46%0.06116%0.157CC..  trans-85.3115.8-177.3-174.70000111.4S178 F183 I184 Y237S178-C181 PolarHBondContact O-N 2.98Å; C181-F183 PolarHBondContact O-N 2.97Å; C181-F183 VanDerWaalsContact O-N 3.13Å; C181-I184 HydrophobicContact CB-CB 4.25Å; C181-I184 HydrophobicContact CB-CD1 3.94Å; C181-I184 HydrophobicContact CB-CG1 4.17Å; C181-I184 PolarHBondContact O-N 2.62Å; C181-Y237 HydrophobicContact CB-CD1 3.59Å; C181-Y237 HydrophobicContact CB-CD2 3.93Å; C181-Y237 HydrophobicContact CB-CE1 3.58Å; C181-Y237 HydrophobicContact CB-CE2 3.91Å; C181-Y237 HydrophobicContact CB-CG 3.77Å
182P94.2Very high87.4Confident77 Ų7733 Ų3350%0.516%0.16SC..THydrogen-bonded Turntrans-69.5-12.9-179.129.3-35.7000113.3E180 K263E180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-K263 VanDerWaalsContact O-CE 3.23Å; P182-K263 WeakPolarHBondContact O-CE 3.23Å
183F95.9Very high87.6Confident50 Ų5035.6 Ų35.622%0.21918%0.175CC..THydrogen-bonded Turntrans-98.14.5-178.7-49.5-67.4000113.3C181 S230 K233 A234 K263 L264C181-F183 PolarHBondContact O-N 2.97Å; C181-F183 VanDerWaalsContact O-N 3.13Å; F183-S230 WeakPolarHBondContact CB-O 3.26Å; F183-S230 WeakPolarHBondContact CD1-OG 3.37Å; F183-K233 HydrophobicContact CD2-CB 3.54Å; F183-K233 HydrophobicContact CD2-CD 4.12Å; F183-K233 HydrophobicContact CD2-CG 4.47Å; F183-K233 HydrophobicContact CE2-CB 3.76Å; F183-K233 HydrophobicContact CE2-CD 3.41Å; F183-K233 VanDerWaalsContact CE2-CD 3.41Å; F183-K233 HydrophobicContact CE2-CG 4.21Å; F183-K233 HydrophobicContact CG-CB 4.17Å; F183-K233 HydrophobicContact CZ-CD 3.67Å; F183-A234 HydrophobicContact CB-CB 3.85Å; F183-A234 WeakPolarHBondContact O-CB 3.32Å; F183-K263 CarbonylContact O-C 3.59Å; F183-K263 VanDerWaalsContact O-CA 3.26Å; F183-K263 WeakPolarHBondContact O-CA 3.35Å; F183-L264 PolarHBondContact O-N 3.36Å
184I94Very high87.6Confident2 Ų242.3 Ų42.31%0.0121%0.211CC..BIsolated β-bridgetrans-118139.4175.8-65.7173.2000108.5C181 R186 A234 Y237 L238 L264 F267C181-I184 HydrophobicContact CB-CB 4.25Å; C181-I184 HydrophobicContact CB-CD1 3.94Å; C181-I184 HydrophobicContact CB-CG1 4.17Å; C181-I184 PolarHBondContact O-N 2.62Å; I184-R186 PolarHBondContact O-N 2.84Å; I184-A234 HydrophobicContact CD1-CB 4.49Å; I184-A234 HydrophobicContact CG1-CB 3.82Å; I184-Y237 HydrophobicContact CD1-CD1 3.48Å; I184-Y237 VanDerWaalsContact CD1-CD1 3.48Å; I184-Y237 HydrophobicContact CD1-CE1 3.94Å; I184-Y237 HydrophobicContact CD1-CG 4.48Å; I184-L238 HydrophobicContact CD1-CD1 4.31Å; I184-L238 HydrophobicContact CD1-CD2 3.71Å; I184-L238 HydrophobicContact CD1-CG 3.71Å; I184-L264 WeakPolarHBondContact CA-O 3.39Å; I184-F267 HydrophobicContact CG2-CD1 4Å; I184-F267 HydrophobicContact CG2-CE1 3.28Å; I184-F267 HydrophobicContact CG2-CZ 3.83Å
185V93.2Very high87.9Confident6 Ų644.9 Ų44.94%0.03623%0.23CC..PPolyproline II helixtrans-60123.9176.2172.60000109.7C187 M201 E202 M204 L255 K263 L264 C265V185-C187 PolarHBondContact O-N 3.3Å; V185-M201 HydrophobicContact CG1-CB 3.84Å; V185-M201 HydrophobicContact CG1-CG 4.29Å; V185-M201 HydrophobicContact CG1-SD 4.24Å; V185-E202 WeakPolarHBondContact CA-OE1 3.22Å; V185-E202 HydrophobicContact CG1-CG 3.79Å; V185-M204 HydrophobicContact CG2-CG 4.2Å; V185-L255 HydrophobicContact CG2-CD1 3.91Å; V185-K263 HydrophobicContact CG2-CB 3.81Å; V185-L264 PolarHBondContact N-O 3.21Å; V185-C265 HydrophobicContact CB-CB 4.12Å; V185-C265 HydrophobicContact CG2-CB 3.73Å
186R91.6Very high88.1Confident84 Ų8447.5 Ų47.532%0.31724%0.242SC..PPolyproline II helixtrans-66.3120.9179.8-176.3174.8174.1177.3-4.1109.8G114 I184 L188 M201 E202G114-R186 PolarHBondContact O-NH2 2.88Å; I184-R186 PolarHBondContact O-N 2.84Å; R186-L188 HydrophobicContact CG-CD2 4.3Å; R186-M201 WeakPolarHBondContact O-CA 3.31Å; R186-E202 HydrophobicContact CB-CG 4.22Å; R186-E202 PolarHBondContact N-OE1 3.25Å; R186-E202 PolarHBondContact O-N 2.97Å
187C92Very high88.3Confident9 Ų946.2 Ų46.26%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-76.3126.7164.6-1700000109.4V175 L176 V185V175-C187 HydrophobicContact CG1-CB 3.61Å; V175-C187 VanDerWaalsContact O-CB 3.3Å; V175-C187 WeakPolarHBondContact O-CB 3.45Å; L176-C187 HydrophobicContact CD2-CB 4.49Å; V185-C187 PolarHBondContact O-N 3.3Å
188L92.7Very high88.8Confident14 Ų1443.3 Ų43.37%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-87.2-27.3176.5-52.8176.7000110.3L111 R112 I113 I151 R186 C200L111-L188 CarbonylContact C-O 3.5Å; L111-L188 WeakPolarHBondContact CA-O 3.23Å; R112-L188 PolarHBondContact N-O 3.42Å; R112-L188 WeakPolarHBondContact O-CD2 3.31Å; I113-L188 HydrophobicContact CG1-CD1 4.39Å; I151-L188 HydrophobicContact CB-CD1 4.06Å; I151-L188 HydrophobicContact CG2-CD1 3.44Å; I151-L188 VanDerWaalsContact CG2-CD1 3.44Å; R186-L188 HydrophobicContact CG-CD2 4.3Å; L188-C200 HydrophobicContact CB-CB 4.24Å; L188-C200 PolarHBondContact N-O 2.99Å
189G92.2Very high89.3Confident3 Ų343.7 Ų43.73%0.03123%0.226CC..EExtended strand (participates in β ladder)trans155.6-171.4-179.400000111I110 C200I110-G189 WeakPolarHBondContact O-CA 3.38Å; G189-C200 PolarHBondContact N-O 3.07Å; G189-C200 WeakPolarHBondContact O-CB 3.46Å; G189-C200 PolarHBondContact O-N 2.96Å
190C92.3Very high90Very high0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-146.3160-178.563.10000113.2G109 L172 W198G109-C190 PolarHBondContact N-O 3.09Å; L172-C190 HydrophobicContact CD1-CB 4.24Å; L172-C190 HydrophobicContact CD2-CB 3.77Å; L172-C190 VanDerWaalsContact CD2-SG 3.52Å; L172-C190 HydrophobicContact CG-CB 4.39Å; C190-W198 CarbonylContact C-O 3.48Å; C190-W198 WeakPolarHBondContact CA-O 3.44Å; C190-W198 WeakPolarHBondContact CB-O 3.21Å
191F92.1Very high90.5Very high5 Ų533.1 Ų33.12%0.02218%0.177CC..EExtended strand (participates in β ladder)trans-120.4122.9164.6-50.4-81.2000109L111 A120 P122 L125 V197 W198 C200L111-F191 HydrophobicContact CD1-CE2 4.42Å; L111-F191 HydrophobicContact CD1-CZ 4Å; L111-F191 HydrophobicContact CD2-CE2 4.29Å; L111-F191 HydrophobicContact CD2-CZ 4.14Å; L111-F191 HydrophobicContact CG-CZ 4.12Å; A120-F191 HydrophobicContact CB-CE1 3.89Å; A120-F191 HydrophobicContact CB-CZ 3.77Å; A120-F191 WeakPolarHBondContact O-CE1 3.34Å; P122-F191 HydrophobicContact CG-CB 3.93Å; P122-F191 HydrophobicContact CG-CD1 3.99Å; P122-F191 HydrophobicContact CG-CD2 4.34Å; P122-F191 HydrophobicContact CG-CG 3.82Å; L125-F191 HydrophobicContact CD1-CD2 4.46Å; L125-F191 HydrophobicContact CD1-CE2 3.67Å; L125-F191 HydrophobicContact CD1-CZ 4.36Å; F191-V197 CarbonylContact O-C 3.58Å; F191-V197 WeakPolarHBondContact O-CA 3.08Å; F191-W198 HydrophobicContact CB-CB 4.13Å; F191-W198 HydrophobicContact CD2-CB 4.01Å; F191-W198 HydrophobicContact CD2-CE3 4.39Å; F191-W198 PolarHBondContact N-O 3.25Å; F191-W198 PolarHBondContact O-N 2.88Å; F191-C200 WeakPolarHBondContact CE2-SG 3.42Å
192I88.3Confident90.6Very high20 Ų2034.9 Ų34.910%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-110.8117.8175-54.5171.8000107.2I104 T108 I169 L172 V197I104-I192 HydrophobicContact CG2-CD1 4.39Å; T108-I192 PolarHBondContact OG1-N 2.88Å; I169-I192 HydrophobicContact CD1-CG2 4.48Å; I169-I192 HydrophobicContact CG1-CD1 4.34Å; I169-I192 HydrophobicContact CG2-CD1 4.21Å; L172-I192 HydrophobicContact CD2-CD1 3.93Å; L172-I192 HydrophobicContact CD2-CG1 4.24Å; I192-V197 HydrophobicContact CG1-CG1 4.48Å; I192-V197 HydrophobicContact CG2-CG2 4.4Å
193T84.5Confident90.7Very high54 Ų5433.9 Ų33.933%0.33117%0.174SC..  trans-112176.7170.871.20000109.4R158 S195 E196R158-T193 WeakPolarHBondContact CD-O 3.46Å; R158-T193 PolarHBondContact NH1-O 2.98Å; T193-S195 PolarHBondContact O-N 3.17Å; T193-S195 PolarHBondContact OG1-N 2.67Å; T193-E196 PolarHBondContact N-O 2.72Å; T193-E196 PolarHBondContact OG1-N 2.98Å; T193-E196 PolarHBondContact OG1-O 3.17Å
194D80.2Confident90.6Very high158 Ų15832.4 Ų32.485%0.84517%0.168SC*.SBendtrans-62.5-30.1177-65.5-28.4000112.8
195S83.3Confident90.6Very high74 Ų7434.6 Ų34.652%0.51718%0.182SC..SBendtrans-106.6-21.3-174.756.90000114.4R158 T193R158-S195 PolarHBondContact N-O 3.02Å; T193-S195 PolarHBondContact O-N 3.17Å; T193-S195 PolarHBondContact OG1-N 2.67Å
196E86.5Confident90.6Very high66 Ų6635.3 Ų35.331%0.30819%0.187SC..EExtended strand (participates in β ladder)trans-144.3153.8-169.2-62.1-174159.100113.4M156 T193 W198M156-E196 CarbonylContact O-C 3.55Å; M156-E196 VanDerWaalsContact O-CA 3.32Å; M156-E196 WeakPolarHBondContact O-CA 3.43Å; T193-E196 PolarHBondContact N-O 2.72Å; T193-E196 PolarHBondContact OG1-N 2.98Å; T193-E196 PolarHBondContact OG1-O 3.17Å; E196-W198 PolarHBondContact OE2-NE1 2.85Å
197V87.2Confident90.7Very high2 Ų232.1 Ų32.11%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-121.1123.2167.51800000108.1M156 R158 I168 L172 F191 I192 I199M156-V197 HydrophobicContact CE-CB 4.02Å; M156-V197 HydrophobicContact CE-CG1 3.86Å; M156-V197 PolarHBondContact N-O 3.34Å; M156-V197 PolarHBondContact O-N 3.17Å; R158-V197 HydrophobicContact CG-CG2 3.76Å; I168-V197 HydrophobicContact CG2-CG2 4.47Å; L172-V197 HydrophobicContact CD2-CG1 4.31Å; F191-V197 CarbonylContact O-C 3.58Å; F191-V197 WeakPolarHBondContact O-CA 3.08Å; I192-V197 HydrophobicContact CG1-CG1 4.48Å; I192-V197 HydrophobicContact CG2-CG2 4.4Å; V197-I199 HydrophobicContact CG1-CG1 4.15Å
198W91.4Very high90.8Very high36 Ų3631.7 Ų31.714%0.13617%0.174CC..EExtended strand (participates in β ladder)trans-109.5121.4175.1-66.126.5000108.3P122 L125 M142 V153 K154 Q155 C190 F191 E196P122-W198 HydrophobicContact CB-CE3 4.12Å; P122-W198 HydrophobicContact CB-CH2 3.98Å; P122-W198 HydrophobicContact CB-CZ2 4.49Å; P122-W198 HydrophobicContact CB-CZ3 3.78Å; L125-W198 HydrophobicContact CD1-CE3 4.18Å; L125-W198 HydrophobicContact CD1-CZ3 4.21Å; M142-W198 HydrophobicContact CE-CH2 4.27Å; M142-W198 HydrophobicContact CE-CZ3 3.94Å; M142-W198 HydrophobicContact SD-CZ3 4.15Å; V153-W198 HydrophobicContact CG1-CB 4.01Å; V153-W198 HydrophobicContact CG1-CD2 4.3Å; V153-W198 HydrophobicContact CG1-CE3 3.92Å; V153-W198 HydrophobicContact CG1-CG 4.38Å; K154-W198 CarbonylContact O-C 3.57Å; K154-W198 WeakPolarHBondContact O-CA 3.37Å; Q155-W198 HydrophobicContact CG-CD2 3.98Å; Q155-W198 HydrophobicContact CG-CG 4.03Å; Q155-W198 VanDerWaalsContact NE2-CE2 3.34Å; Q155-W198 VanDerWaalsContact NE2-CH2 3.26Å; C190-W198 CarbonylContact C-O 3.48Å; C190-W198 WeakPolarHBondContact CA-O 3.44Å; C190-W198 WeakPolarHBondContact CB-O 3.21Å; F191-W198 HydrophobicContact CB-CB 4.13Å; F191-W198 HydrophobicContact CD2-CB 4.01Å; F191-W198 HydrophobicContact CD2-CE3 4.39Å; F191-W198 PolarHBondContact N-O 3.25Å; F191-W198 PolarHBondContact O-N 2.88Å; E196-W198 PolarHBondContact OE2-NE1 2.85Å
199I90.6Very high90.8Very high7 Ų732.6 Ų32.64%0.03618%0.179CC..EExtended strand (participates in β ladder)trans-105.7116176.3-53.3179.2000108V153 K154 M156 L172 V175 V197 M201 I269V153-I199 WeakPolarHBondContact CA-O 3.22Å; K154-I199 HydrophobicContact CB-CB 4.43Å; K154-I199 PolarHBondContact N-O 3.11Å; K154-I199 PolarHBondContact O-N 3.11Å; M156-I199 HydrophobicContact CE-CD1 3.51Å; M156-I199 HydrophobicContact CE-CG1 4.02Å; L172-I199 HydrophobicContact CD1-CD1 3.77Å; L172-I199 HydrophobicContact CD1-CG1 3.83Å; L172-I199 HydrophobicContact CD1-CG2 4.36Å; V175-I199 HydrophobicContact CG1-CG2 4.42Å; V197-I199 HydrophobicContact CG1-CG1 4.15Å; I199-M201 HydrophobicContact CG2-CG 3.91Å; I199-M201 HydrophobicContact CG2-SD 4.25Å; I199-I269 HydrophobicContact CD1-CD1 3.64Å
200C93.7Very high90.7Very high0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-89.2128.4176.9-65.10000109.6L111 I151 L188 G189 F191L111-C200 HydrophobicContact CD2-CB 3.72Å; I151-C200 HydrophobicContact CD1-CB 4.01Å; L188-C200 HydrophobicContact CB-CB 4.24Å; L188-C200 PolarHBondContact N-O 2.99Å; G189-C200 PolarHBondContact N-O 3.07Å; G189-C200 WeakPolarHBondContact O-CB 3.46Å; G189-C200 PolarHBondContact O-N 2.96Å; F191-C200 WeakPolarHBondContact CE2-SG 3.42Å
201M93.7Very high90.8Very high19 Ų1937.2 Ų37.29%0.09420%0.198CC..EExtended strand (participates in β ladder)trans-136.5156.7-172.6-62.9176.3-68.900110.4A152 K154 V185 R186 I199A152-M201 HydrophobicContact CB-CB 4.49Å; A152-M201 PolarHBondContact N-O 2.62Å; A152-M201 PolarHBondContact O-N 2.89Å; K154-M201 HydrophobicContact CB-CE 3.71Å; V185-M201 HydrophobicContact CG1-CB 3.84Å; V185-M201 HydrophobicContact CG1-CG 4.29Å; V185-M201 HydrophobicContact CG1-SD 4.24Å; R186-M201 WeakPolarHBondContact O-CA 3.31Å; I199-M201 HydrophobicContact CG2-CG 3.91Å; I199-M201 HydrophobicContact CG2-SD 4.25Å
202E93.7Very high90.9Very high47 Ų4737.4 Ų37.422%0.2220%0.199CC..EExtended strand (participates in β ladder)trans-55.5143166.867.7-177.8146.300110.7V185 R186 M204 K263V185-E202 WeakPolarHBondContact CA-OE1 3.22Å; V185-E202 HydrophobicContact CG1-CG 3.79Å; R186-E202 HydrophobicContact CB-CG 4.22Å; R186-E202 PolarHBondContact N-OE1 3.25Å; R186-E202 PolarHBondContact O-N 2.97Å; E202-M204 HydrophobicContact CG-SD 4.31Å; E202-K263 VanDerWaalsContact CD-NZ 3.25Å; E202-K263 WeakPolarHBondContact OE1-CD 3.28Å; E202-K263 WeakPolarHBondContact OE1-CE 3.4Å; E202-K263 IonicContact OE1-NZ 3.12Å; E202-K263 PolarHBondContact OE1-NZ 3.3Å; E202-K263 IonicContact OE2-NZ 3.74Å; E202-K263 PolarHBondContact OE2-NZ 3.5Å
203L95.1Very high91Very high55 Ų5542.7 Ų42.729%0.28822%0.221SC..PPolyproline II helixtrans-82.7123.6177.6-179.767.4000110.4L131 K141 I150 A152L131-L203 HydrophobicContact CD1-CD1 3.54Å; L131-L203 HydrophobicContact CD2-CD1 4.25Å; K141-L203 HydrophobicContact CD-CD2 4.35Å; K141-L203 HydrophobicContact CG-CD2 4.34Å; I150-L203 HydrophobicContact CB-CD2 4.48Å; I150-L203 HydrophobicContact CG2-CD2 3.75Å; A152-L203 HydrophobicContact CB-CD1 4.11Å
204M95.1Very high91.4Very high19 Ų1946.4 Ų46.49%0.09423%0.23CC..PPolyproline II helixtrans-95.6159.6169.8-56.9-62.1-73.400111V185 E202 L255 D257 K263V185-M204 HydrophobicContact CG2-CG 4.2Å; E202-M204 HydrophobicContact CG-SD 4.31Å; M204-L255 HydrophobicContact CB-CB 3.76Å; M204-L255 HydrophobicContact CB-CD1 3.87Å; M204-L255 HydrophobicContact CB-CG 4.42Å; M204-L255 HydrophobicContact CE-CB 4.06Å; M204-L255 HydrophobicContact CG-CB 3.69Å; M204-L255 HydrophobicContact CG-CD1 3.6Å; M204-L255 HydrophobicContact CG-CG 4.3Å; M204-D257 HydrophobicContact CE-CB 3.98Å; M204-D257 HydrophobicContact SD-CB 4.37Å; M204-K263 HydrophobicContact CE-CB 4.06Å; M204-K263 HydrophobicContact CE-CD 4.16Å; M204-K263 HydrophobicContact CE-CG 3.97Å; M204-K263 HydrophobicContact SD-CD 4.24Å
205T93.3Very high91.9Very high48 Ų4840.3 Ų40.329%0.29420%0.197SC..SBendtrans-72.2-48.8-177.8-62.40000112.2L256 D257 W258 L403T205-L256 WeakPolarHBondContact CA-O 3.31Å; T205-L256 VanDerWaalsContact CB-O 3.27Å; T205-L256 WeakPolarHBondContact CB-O 3.25Å; T205-L256 PolarHBondContact N-O 3.17Å; T205-D257 WeakPolarHBondContact OG1-CA 3.17Å; T205-W258 HydrophobicContact CG2-CD2 3.93Å; T205-W258 VanDerWaalsContact CG2-CE2 3.41Å; T205-W258 HydrophobicContact CG2-CG 4.38Å; T205-W258 HydrophobicContact CG2-CH2 4.28Å; T205-W258 HydrophobicContact CG2-CZ2 3.63Å; T205-W258 PolarHBondContact OG1-N 3.4Å; T205-W258 PolarHBondContact OG1-NE1 2.95Å; T205-L403 HydrophobicContact CG2-CD1 3.91Å
206T92.9Very high92.3Very high22 Ų2245.8 Ų45.814%0.13521%0.211CC..EExtended strand (participates in β ladder)trans-157.3161.6-179.4-170.50000110.9K210 L211 L255 L256 L403T206-K210 WeakPolarHBondContact OG1-CB 3.37Å; T206-L211 HydrophobicContact CG2-CB 4.38Å; T206-L255 WeakPolarHBondContact O-CA 3.38Å; T206-L256 HydrophobicContact CG2-CD1 4.49Å; T206-L256 PolarHBondContact N-O 3.08Å; T206-L256 PolarHBondContact O-N 3.47Å; T206-L403 HydrophobicContact CG2-CD1 4.27Å
207C93.4Very high92.7Very high17 Ų1749.5 Ų49.512%0.11522%0.222CC..EExtended strand (participates in β ladder)trans-91.6163.3161.264.80000111K210 L211 S252 M254 L255C207-K210 PolarHBondContact O-N 3.43Å; C207-K210 VanDerWaalsContact SG-CG 3.6Å; C207-L211 PolarHBondContact O-N 2.82Å; C207-L211 VanDerWaalsContact O-N 3.14Å; C207-S252 WeakPolarHBondContact CB-O 3.48Å; C207-M254 CarbonylContact C-O 3.44Å; C207-M254 VanDerWaalsContact CA-O 3.3Å; C207-M254 WeakPolarHBondContact CA-O 3.41Å; C207-L255 HydrophobicContact CB-CD2 3.36Å
208L94.4Very high93Very high0 Ų050.3 Ų50.30%023%0.231CC..Hα-helixtrans-67.4-34.2178.9-66.9178.3000113.2K210 L211 I212 I219 M227 P251 M254 L256 L320L208-K210 VanDerWaalsContact C-N 3.34Å; L208-K210 PolarHBondContact O-N 2.95Å; L208-L211 HydrophobicContact CD2-CD2 4.03Å; L208-L211 WeakPolarHBondContact O-CB 3.43Å; L208-L211 PolarHBondContact O-N 2.9Å; L208-L211 VanDerWaalsContact O-N 3.08Å; L208-I212 WeakPolarHBondContact O-CG1 3.42Å; L208-I212 PolarHBondContact O-N 3.35Å; L208-I219 HydrophobicContact CD2-CD1 3.98Å; L208-M227 HydrophobicContact CD1-CE 4.42Å; L208-M227 HydrophobicContact CD1-CG 4.48Å; L208-M227 HydrophobicContact CD1-SD 3.46Å; L208-M227 WeakPolarHBondContact CD1-SD 3.42Å; L208-M227 HydrophobicContact CD2-CE 3.39Å; L208-M227 HydrophobicContact CD2-SD 3.56Å; L208-M227 VanDerWaalsContact CD2-SD 3.56Å; L208-M227 HydrophobicContact CG-SD 4.19Å; L208-P251 HydrophobicContact CB-CB 3.97Å; L208-P251 WeakPolarHBondContact CB-O 3.49Å; L208-P251 PolarHBondContact N-O 3.17Å; L208-P251 VanDerWaalsContact N-O 3.08Å; L208-M254 HydrophobicContact CB-CB 4.47Å; L208-M254 HydrophobicContact CD1-CB 3.49Å; L208-M254 VanDerWaalsContact CD1-CB 3.49Å; L208-M254 HydrophobicContact CD1-CG 4.27Å; L208-M254 HydrophobicContact CD1-SD 3.79Å; L208-M254 HydrophobicContact CG-CB 3.92Å; L208-M254 PolarHBondContact N-O 3.2Å; L208-L256 HydrophobicContact CD2-CD1 3.2Å; L208-L256 HydrophobicContact CD2-CD2 4.33Å; L208-L256 HydrophobicContact CD2-CG 4.29Å; L208-L256 HydrophobicContact CG-CD1 3.74Å; L208-L320 HydrophobicContact CB-CD2 3.66Å; L208-L320 HydrophobicContact CD1-CD1 3.6Å; L208-L320 HydrophobicContact CD1-CD2 4.09Å; L208-L320 HydrophobicContact CG-CD2 4.35Å
209D92.1Very high93.3Very high33 Ų3348.7 Ų48.718%0.17623%0.225CC..Hα-helixtrans-56.5-45.9174.9171.276.6000111.9L211 I212 K213 P251D209-L211 VanDerWaalsContact C-N 3.34Å; D209-I212 VanDerWaalsContact O-CG1 3.26Å; D209-I212 WeakPolarHBondContact O-CG1 3.34Å; D209-K213 WeakPolarHBondContact O-CD 3.41Å; D209-K213 VanDerWaalsContact O-CG 3.28Å; D209-K213 WeakPolarHBondContact O-CG 3.14Å; D209-K213 PolarHBondContact O-N 3.18Å; D209-K213 WeakPolarHBondContact OD1-CE 3.33Å; D209-K213 IonicContact OD1-NZ 3.81Å; D209-K213 PolarHBondContact OD1-NZ 2.75Å; D209-K213 IonicContact OD2-NZ 3.69Å; D209-K213 PolarHBondContact OD2-NZ 2.69Å; D209-P251 HydrophobicContact CB-CB 4.06Å; D209-P251 PolarHBondContact N-O 2.92Å
210K91.8Very high93.6Very high98 Ų9850.9 Ų50.943%0.42624%0.24SC..Hα-helixtrans-67.7-36.3174.8-75.7-179.2178-168.20112.4L131 T206 C207 L208 R214L131-K210 WeakPolarHBondContact O-CE 3.3Å; L131-K210 PolarHBondContact O-NZ 2.86Å; T206-K210 WeakPolarHBondContact OG1-CB 3.37Å; C207-K210 PolarHBondContact O-N 3.43Å; C207-K210 VanDerWaalsContact SG-CG 3.6Å; L208-K210 VanDerWaalsContact C-N 3.34Å; L208-K210 PolarHBondContact O-N 2.95Å; K210-R214 WeakPolarHBondContact O-CB 3.26Å; K210-R214 PolarHBondContact O-N 3.49Å; K210-R214 VanDerWaalsContact O-N 3.07Å
211L93.1Very high93.8Very high1 Ų152.2 Ų52.21%0.00525%0.246CC..Hα-helixtrans-65.8-48.4-178-175.757.7000111.3T206 C207 L208 D209 K213 R214 L215 I219 L256 W398 L399 V402 L403T206-L211 HydrophobicContact CG2-CB 4.38Å; C207-L211 PolarHBondContact O-N 2.82Å; C207-L211 VanDerWaalsContact O-N 3.14Å; L208-L211 HydrophobicContact CD2-CD2 4.03Å; L208-L211 WeakPolarHBondContact O-CB 3.43Å; L208-L211 PolarHBondContact O-N 2.9Å; L208-L211 VanDerWaalsContact O-N 3.08Å; D209-L211 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 2.64Å; L211-R214 PolarHBondContact O-N 3.22Å; L211-L215 HydrophobicContact CD1-CD1 4.17Å; L211-L215 HydrophobicContact CD1-CG 4.25Å; L211-L215 HydrophobicContact CG-CD1 3.92Å; L211-L215 HydrophobicContact CG-CG 4.42Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.98Å; L211-I219 HydrophobicContact CD2-CD1 4.34Å; L211-L256 HydrophobicContact CD2-CD1 4.38Å; L211-W398 HydrophobicContact CD2-CH2 3.53Å; L211-W398 HydrophobicContact CD2-CZ3 3.75Å; L211-W398 HydrophobicContact CG-CH2 4.33Å; L211-L399 HydrophobicContact CD1-CD1 4.26Å; L211-L399 HydrophobicContact CD2-CD1 4.24Å; L211-V402 HydrophobicContact CD1-CG2 4Å; L211-L403 HydrophobicContact CD1-CD2 3.84Å; L211-L403 HydrophobicContact CD1-CG 4.4Å
212I94.1Very high94Very high9 Ų953 Ų535%0.04626%0.256CS..Hα-helixtrans-63.9-39.6177.861.9177.8000112.2L208 D209 R214 L215 K216 I219 E319 L320L208-I212 WeakPolarHBondContact O-CG1 3.42Å; L208-I212 PolarHBondContact O-N 3.35Å; D209-I212 VanDerWaalsContact O-CG1 3.26Å; D209-I212 WeakPolarHBondContact O-CG1 3.34Å; I212-R214 VanDerWaalsContact C-N 3.27Å; I212-R214 PolarHBondContact O-N 2.96Å; I212-L215 PolarHBondContact O-N 2.93Å; I212-K216 PolarHBondContact O-N 3.34Å; I212-I219 HydrophobicContact CG2-CD1 3.8Å; I212-I219 HydrophobicContact CG2-CG1 3.99Å; I212-E319 HydrophobicContact CD1-CG 3.83Å; I212-L320 HydrophobicContact CD1-CD2 4.35Å; I212-L320 HydrophobicContact CG2-CD2 3.59Å
213K91.7Very high94.1Very high131 Ų13151.1 Ų51.157%0.5725%0.247SC*.Hα-helixtrans-60.8-36.8175.5-74.6170.3-175.9164.10112.2D209 L211D209-K213 WeakPolarHBondContact O-CD 3.41Å; D209-K213 VanDerWaalsContact O-CG 3.28Å; D209-K213 WeakPolarHBondContact O-CG 3.14Å; D209-K213 PolarHBondContact O-N 3.18Å; D209-K213 WeakPolarHBondContact OD1-CE 3.33Å; D209-K213 IonicContact OD1-NZ 3.81Å; D209-K213 PolarHBondContact OD1-NZ 2.75Å; D209-K213 IonicContact OD2-NZ 3.69Å; D209-K213 PolarHBondContact OD2-NZ 2.69Å; L211-K213 PolarHBondContact O-N 2.64Å
214R91.3Very high94.3Very high133 Ų13348.5 Ų48.550%0.50223%0.234SC..Hα-helixtrans-73.4-43.9175.2-177.3-177173.6103.20.7112K210 L211 I212 K216 V402 L403K210-R214 WeakPolarHBondContact O-CB 3.26Å; K210-R214 PolarHBondContact O-N 3.49Å; K210-R214 VanDerWaalsContact O-N 3.07Å; L211-R214 PolarHBondContact O-N 3.22Å; I212-R214 VanDerWaalsContact C-N 3.27Å; I212-R214 PolarHBondContact O-N 2.96Å; R214-K216 VanDerWaalsContact C-N 3.31Å; R214-K216 PolarHBondContact O-N 2.73Å; R214-V402 PolarHBondContact NE-O 3.4Å; R214-L403 VanDerWaalsContact CD-CD2 3.42Å; R214-L403 PolarHBondContact NH2-O 3.48Å
215L92.4Very high94.4Very high29 Ų2947.6 Ų47.615%0.15223%0.229CC..Hα-helixtrans-66.1-33.7-179.2-76174.2000112.5L211 I212 R217 I219 W398 V402L211-L215 HydrophobicContact CD1-CD1 4.17Å; L211-L215 HydrophobicContact CD1-CG 4.25Å; L211-L215 HydrophobicContact CG-CD1 3.92Å; L211-L215 HydrophobicContact CG-CG 4.42Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.98Å; I212-L215 PolarHBondContact O-N 2.93Å; L215-R217 HydrophobicContact CB-CG 4.18Å; L215-R217 PolarHBondContact O-N 3.03Å; L215-R217 VanDerWaalsContact O-N 3.16Å; L215-I219 HydrophobicContact CD1-CG1 4.04Å; L215-W398 HydrophobicContact CD1-CH2 4.33Å; L215-W398 HydrophobicContact CD1-CZ2 4.02Å; L215-V402 HydrophobicContact CD2-CB 3.65Å; L215-V402 HydrophobicContact CD2-CG1 3.72Å; L215-V402 HydrophobicContact CD2-CG2 4.32Å
216K91.6Very high94.6Very high189 Ų18947.3 Ų47.382%0.82222%0.224SC*.THydrogen-bonded Turntrans54.225.7-172.4-56.8-177178.9-178.50113.4I212 R214I212-K216 PolarHBondContact O-N 3.34Å; R214-K216 VanDerWaalsContact C-N 3.31Å; R214-K216 PolarHBondContact O-N 2.73Å
217R93.7Very high94.9Very high144 Ų14446.4 Ų46.454%0.54322%0.218SC..SBendtrans-157.2165.7178.466.3-177.9178.5118.1-4.5110.1L215L215-R217 HydrophobicContact CB-CG 4.18Å; L215-R217 PolarHBondContact O-N 3.03Å; L215-R217 VanDerWaalsContact O-N 3.16Å
218G94.9Very high95.1Very high19 Ų1945.6 Ų45.620%0.19621%0.213CC..PPolyproline II helixtrans-57.9151.8173.300000114.5L320 A321G218-L320 CarbonylContact C-O 3.55Å; G218-L320 WeakPolarHBondContact CA-O 3.18Å; G218-A321 WeakPolarHBondContact CA-O 3.2Å
219I96.6Very high95.3Very high3 Ų346 Ų462%0.01522%0.215CC..PPolyproline II helixtrans-83.7135.7172.7-63.9-179000108.7L208 L211 I212 L215 I223 L224 M227 L320 W398L208-I219 HydrophobicContact CD2-CD1 3.98Å; L211-I219 HydrophobicContact CD2-CD1 4.34Å; I212-I219 HydrophobicContact CG2-CD1 3.8Å; I212-I219 HydrophobicContact CG2-CG1 3.99Å; L215-I219 HydrophobicContact CD1-CG1 4.04Å; I219-I223 HydrophobicContact CG2-CB 3.78Å; I219-I223 HydrophobicContact CG2-CG1 4.37Å; I219-I223 HydrophobicContact CG2-CG2 4.25Å; I219-L224 HydrophobicContact CB-CD2 3.86Å; I219-L224 HydrophobicContact CB-CG 4.18Å; I219-L224 HydrophobicContact CG2-CD2 3.81Å; I219-L224 HydrophobicContact CG2-CG 3.97Å; I219-L224 WeakPolarHBondContact O-CD1 3.43Å; I219-M227 HydrophobicContact CD1-CE 3.97Å; I219-M227 HydrophobicContact CD1-SD 4.5Å; I219-M227 HydrophobicContact CG2-CE 3.96Å; I219-L320 HydrophobicContact CD1-CB 4.42Å; I219-L320 HydrophobicContact CD1-CD2 3.97Å; I219-L320 PolarHBondContact N-O 2.9Å; I219-W398 HydrophobicContact CD1-CH2 4.28Å; I219-W398 HydrophobicContact CG1-CH2 4.24Å; I219-W398 HydrophobicContact CG1-CZ2 4.4Å; I219-W398 HydrophobicContact CG2-CH2 3.86Å; I219-W398 HydrophobicContact CG2-CZ2 3.93Å
220P96.7Very high95.6Very high53 Ų5345 Ų4534%0.34421%0.211SC..PPolyproline II helixtrans-56.6140.5177.5-23.833.3000112.6A222 I223 L224P220-A222 PolarHBondContact O-N 2.76Å; P220-A222 VanDerWaalsContact O-N 3.1Å; P220-I223 HydrophobicContact CB-CG1 4.32Å; P220-I223 HydrophobicContact CG-CG1 4.5Å; P220-I223 PolarHBondContact O-N 3.24Å; P220-L224 PolarHBondContact O-N 3.28Å; P220-L224 VanDerWaalsContact O-N 3.16Å
221E98.1Very high95.9Very high27 Ų2740.4 Ų40.413%0.12619%0.191CC..Hα-helixtrans-52.9-37.8-177.8-173.7-179.3128.200112.6I223 L224 G225 F354 S355 F358 F384E221-I223 VanDerWaalsContact C-N 3.26Å; E221-I223 PolarHBondContact O-N 3.08Å; E221-L224 CarbonylContact O-C 3.54Å; E221-L224 WeakPolarHBondContact O-CA 3.38Å; E221-L224 WeakPolarHBondContact O-CB 3.14Å; E221-L224 PolarHBondContact O-N 2.94Å; E221-L224 VanDerWaalsContact O-N 3.08Å; E221-G225 PolarHBondContact O-N 2.82Å; E221-F354 HydrophobicContact CB-CD1 4.38Å; E221-F354 WeakPolarHBondContact OE2-CA 3.38Å; E221-S355 WeakPolarHBondContact OE1-CB 3.44Å; E221-S355 PolarHBondContact OE1-OG 3.4Å; E221-S355 PolarHBondContact OE2-N 2.98Å; E221-F358 HydrophobicContact CG-CB 4.09Å; E221-F358 HydrophobicContact CG-CD1 4.13Å; E221-F358 HydrophobicContact CG-CG 4.03Å; E221-F384 HydrophobicContact CG-CE2 4.05Å; E221-F384 HydrophobicContact CG-CZ 4.42Å
222A97.6Very high96.1Very high37 Ų3740.4 Ų40.431%0.30619%0.191SC..Hα-helixtrans-58.5-38.3179.300000113.2P220 K226 Y388 V393P220-A222 PolarHBondContact O-N 2.76Å; P220-A222 VanDerWaalsContact O-N 3.1Å; A222-K226 PolarHBondContact O-N 3.41Å; A222-Y388 WeakPolarHBondContact CA-OH 3.49Å; A222-Y388 HydrophobicContact CB-CE1 4.16Å; A222-V393 HydrophobicContact CB-CG1 4.11Å; A222-V393 HydrophobicContact CB-CG2 4.27Å
223I97.3Very high96.3Very high7 Ų742.5 Ų42.54%0.03620%0.2CC..Hα-helixtrans-74.8-41.8176.4-42.2-64.7000109.6I219 P220 E221 G225 K226 M227 V393 I395 W398I219-I223 HydrophobicContact CG2-CB 3.78Å; I219-I223 HydrophobicContact CG2-CG1 4.37Å; I219-I223 HydrophobicContact CG2-CG2 4.25Å; P220-I223 HydrophobicContact CB-CG1 4.32Å; P220-I223 HydrophobicContact CG-CG1 4.5Å; P220-I223 PolarHBondContact O-N 3.24Å; E221-I223 VanDerWaalsContact C-N 3.26Å; E221-I223 PolarHBondContact O-N 3.08Å; I223-G225 VanDerWaalsContact C-N 3.25Å; I223-G225 PolarHBondContact O-N 3.38Å; I223-K226 PolarHBondContact O-N 3.46Å; I223-M227 HydrophobicContact CB-CE 4.18Å; I223-M227 HydrophobicContact CG2-CE 3.26Å; I223-M227 VanDerWaalsContact O-CG 3.3Å; I223-M227 WeakPolarHBondContact O-CG 3.33Å; I223-M227 PolarHBondContact O-N 3.42Å; I223-V393 HydrophobicContact CD1-CG1 3.76Å; I223-I395 HydrophobicContact CD1-CG1 4.34Å; I223-I395 HydrophobicContact CG2-CG1 4.31Å; I223-I395 HydrophobicContact CG2-CG2 4.12Å; I223-W398 HydrophobicContact CD1-CB 3.91Å; I223-W398 HydrophobicContact CD1-CD2 3.87Å; I223-W398 HydrophobicContact CD1-CE3 4.13Å; I223-W398 HydrophobicContact CD1-CG 3.76Å; I223-W398 HydrophobicContact CG1-CD2 3.79Å; I223-W398 HydrophobicContact CG1-CE3 4.07Å; I223-W398 HydrophobicContact CG1-CG 4.07Å; I223-W398 HydrophobicContact CG1-CZ2 4.39Å; I223-W398 HydrophobicContact CG1-CZ3 4.46Å; I223-W398 HydrophobicContact CG2-CD2 4.47Å; I223-W398 HydrophobicContact CG2-CE3 3.89Å; I223-W398 HydrophobicContact CG2-CH2 4.26Å; I223-W398 HydrophobicContact CG2-CZ3 3.77Å
224L97.9Very high96.5Very high0 Ų036.3 Ų36.30%017%0.172CC..Hα-helixtrans-58.9-36.3175.6-63.6178.6000112.6I219 P220 E221 M227 T228 L320 A321 F358I219-L224 HydrophobicContact CB-CD2 3.86Å; I219-L224 HydrophobicContact CB-CG 4.18Å; I219-L224 HydrophobicContact CG2-CD2 3.81Å; I219-L224 HydrophobicContact CG2-CG 3.97Å; I219-L224 WeakPolarHBondContact O-CD1 3.43Å; P220-L224 PolarHBondContact O-N 3.28Å; P220-L224 VanDerWaalsContact O-N 3.16Å; E221-L224 CarbonylContact O-C 3.54Å; E221-L224 WeakPolarHBondContact O-CA 3.38Å; E221-L224 WeakPolarHBondContact O-CB 3.14Å; E221-L224 PolarHBondContact O-N 2.94Å; E221-L224 VanDerWaalsContact O-N 3.08Å; L224-M227 HydrophobicContact CD2-SD 4.09Å; L224-M227 PolarHBondContact O-N 3.21Å; L224-T228 WeakPolarHBondContact O-CB 2.97Å; L224-T228 PolarHBondContact O-N 2.94Å; L224-T228 PolarHBondContact O-OG1 3.49Å; L224-L320 HydrophobicContact CD2-CB 3.59Å; L224-L320 HydrophobicContact CD2-CD1 4.27Å; L224-A321 HydrophobicContact CD1-CB 3.68Å; L224-F358 HydrophobicContact CD1-CE1 4.17Å; L224-F358 HydrophobicContact CD1-CZ 3.8Å
225G98.2Very high96.7Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-60.7-49.9175.400000111.7E221 I223 M227 T228 V229 Y388E221-G225 PolarHBondContact O-N 2.82Å; I223-G225 VanDerWaalsContact C-N 3.25Å; I223-G225 PolarHBondContact O-N 3.38Å; G225-M227 PolarHBondContact O-N 2.94Å; G225-T228 WeakPolarHBondContact O-CB 3.34Å; G225-T228 PolarHBondContact O-N 3.09Å; G225-V229 WeakPolarHBondContact O-CG2 3.47Å; G225-V229 PolarHBondContact O-N 3.39Å; G225-Y388 VanDerWaalsContact CA-CG 3.46Å
226K97.9Very high96.9Very high42 Ų4231.1 Ų31.118%0.18315%0.153CC..Hα-helixtrans-63.8-38.9174.5-60.6-55.6-65.5-172.60112.5A222 I223 T228 V229 S230 I262 Y388 E389 A391 V393 I395A222-K226 PolarHBondContact O-N 3.41Å; I223-K226 PolarHBondContact O-N 3.46Å; K226-T228 VanDerWaalsContact C-N 3.35Å; K226-V229 PolarHBondContact O-N 3.05Å; K226-S230 PolarHBondContact O-N 3.21Å; K226-S230 PolarHBondContact O-OG 2.89Å; K226-I262 HydrophobicContact CB-CD1 4.33Å; K226-Y388 HydrophobicContact CD-CD1 4.41Å; K226-Y388 VanDerWaalsContact CD-O 3.26Å; K226-Y388 WeakPolarHBondContact CD-O 3.09Å; K226-Y388 WeakPolarHBondContact CE-O 3.44Å; K226-Y388 PolarHBondContact NZ-O 3.15Å; K226-E389 PolarHBondContact NZ-O 2.83Å; K226-A391 PolarHBondContact NZ-O 3.33Å; K226-V393 HydrophobicContact CD-CB 4.19Å; K226-V393 HydrophobicContact CD-CG2 4.15Å; K226-V393 HydrophobicContact CG-CB 3.75Å; K226-V393 HydrophobicContact CG-CG1 4.28Å; K226-V393 HydrophobicContact CG-CG2 4.01Å; K226-I395 HydrophobicContact CB-CD1 3.48Å; K226-I395 VanDerWaalsContact CB-CD1 3.48Å; K226-I395 HydrophobicContact CB-CG1 4.48Å; K226-I395 HydrophobicContact CG-CD1 3.88Å; K226-I395 HydrophobicContact CG-CG1 4.46Å
227M97.3Very high97.1Very high3 Ų323.7 Ų23.72%0.01512%0.12CC..Hα-helixtrans-60.4-45.2174.5-67.6176.3-164.500111.8L208 I219 I223 L224 G225 V229 S230 V231 L256 I262 W398L208-M227 HydrophobicContact CD1-CE 4.42Å; L208-M227 HydrophobicContact CD1-CG 4.48Å; L208-M227 HydrophobicContact CD1-SD 3.46Å; L208-M227 WeakPolarHBondContact CD1-SD 3.42Å; L208-M227 HydrophobicContact CD2-CE 3.39Å; L208-M227 HydrophobicContact CD2-SD 3.56Å; L208-M227 VanDerWaalsContact CD2-SD 3.56Å; L208-M227 HydrophobicContact CG-SD 4.19Å; I219-M227 HydrophobicContact CD1-CE 3.97Å; I219-M227 HydrophobicContact CD1-SD 4.5Å; I219-M227 HydrophobicContact CG2-CE 3.96Å; I223-M227 HydrophobicContact CB-CE 4.18Å; I223-M227 HydrophobicContact CG2-CE 3.26Å; I223-M227 VanDerWaalsContact O-CG 3.3Å; I223-M227 WeakPolarHBondContact O-CG 3.33Å; I223-M227 PolarHBondContact O-N 3.42Å; L224-M227 HydrophobicContact CD2-SD 4.09Å; L224-M227 PolarHBondContact O-N 3.21Å; G225-M227 PolarHBondContact O-N 2.94Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.03Å; M227-S230 PolarHBondContact O-N 2.84Å; M227-V231 WeakPolarHBondContact O-CB 3.21Å; M227-V231 VanDerWaalsContact O-CG2 3.31Å; M227-V231 WeakPolarHBondContact O-CG2 3.44Å; M227-V231 PolarHBondContact O-N 3.08Å; M227-L256 HydrophobicContact CE-CD2 3.95Å; M227-I262 HydrophobicContact CB-CD1 4.2Å; M227-I262 HydrophobicContact CB-CG2 4.5Å; M227-I262 HydrophobicContact CG-CD1 3.48Å; M227-I262 VanDerWaalsContact CG-CD1 3.48Å; M227-I262 HydrophobicContact CG-CG1 4.12Å; M227-I262 HydrophobicContact CG-CG2 4.35Å; M227-W398 HydrophobicContact CE-CH2 4.45Å; M227-W398 HydrophobicContact CE-CZ3 4.35Å
228T98.5Very high97Very high0 Ų016.9 Ų16.90%010%0.095CC..Hα-helixtrans-58.5-46.4177.6-600000110.6L224 G225 K226 V231 V232 L317 F361 F384L224-T228 WeakPolarHBondContact O-CB 2.97Å; L224-T228 PolarHBondContact O-N 2.94Å; L224-T228 PolarHBondContact O-OG1 3.49Å; G225-T228 WeakPolarHBondContact O-CB 3.34Å; G225-T228 PolarHBondContact O-N 3.09Å; K226-T228 VanDerWaalsContact C-N 3.35Å; T228-V231 PolarHBondContact O-N 2.55Å; T228-V232 HydrophobicContact CG2-CG2 4.15Å; T228-V232 VanDerWaalsContact O-CB 3.3Å; T228-V232 WeakPolarHBondContact O-CB 3.29Å; T228-V232 VanDerWaalsContact O-CG2 3.24Å; T228-V232 WeakPolarHBondContact O-CG2 3.48Å; T228-V232 PolarHBondContact O-N 3.14Å; T228-L317 WeakPolarHBondContact OG1-CD2 3.34Å; T228-F361 HydrophobicContact CG2-CD1 4.2Å; T228-F361 HydrophobicContact CG2-CE1 3.36Å; T228-F361 HydrophobicContact CG2-CE2 4.16Å; T228-F361 HydrophobicContact CG2-CZ 3.34Å; T228-F384 HydrophobicContact CG2-CD1 4.44Å; T228-F384 HydrophobicContact CG2-CE1 4.16Å
229V98.5Very high96.8Very high7 Ų719.3 Ų19.34%0.04210%0.1CC..Hα-helixtrans-57.8-52.6177.2172.30000111.2G225 K226 M227 V231 K233 F385 E389G225-V229 WeakPolarHBondContact O-CG2 3.47Å; G225-V229 PolarHBondContact O-N 3.39Å; K226-V229 PolarHBondContact O-N 3.05Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.03Å; V229-V231 PolarHBondContact O-N 3.23Å; V229-K233 HydrophobicContact CG1-CD 4.12Å; V229-K233 WeakPolarHBondContact O-CB 3.11Å; V229-K233 WeakPolarHBondContact O-CG 3.41Å; V229-K233 PolarHBondContact O-N 3.41Å; V229-F385 HydrophobicContact CB-CE2 4.19Å; V229-F385 HydrophobicContact CG1-CE2 4.21Å; V229-F385 HydrophobicContact CG1-CZ 4.07Å; V229-F385 HydrophobicContact CG2-CD2 4.06Å; V229-F385 HydrophobicContact CG2-CE2 4.13Å; V229-F385 HydrophobicContact CG2-CG 4.34Å; V229-F385 HydrophobicContact CG2-CZ 4.44Å; V229-E389 HydrophobicContact CG2-CB 4.46Å
230S97.9Very high96.6Very high14 Ų1424.3 Ų24.310%0.09812%0.123CC..Hα-helixtrans-60.9-47.2-179.3-65.10000112.4F183 K226 M227 K233 A234 I262F183-S230 WeakPolarHBondContact CB-O 3.26Å; F183-S230 WeakPolarHBondContact CD1-OG 3.37Å; K226-S230 PolarHBondContact O-N 3.21Å; K226-S230 PolarHBondContact O-OG 2.89Å; M227-S230 PolarHBondContact O-N 2.84Å; S230-K233 PolarHBondContact O-N 3.3Å; S230-A234 WeakPolarHBondContact O-CB 3.37Å; S230-A234 PolarHBondContact O-N 3.32Å; S230-I262 WeakPolarHBondContact CB-O 3.44Å
231V98Very high96.3Very high1 Ų128 Ų281%0.00614%0.136CC..Hα-helixtrans-67.8-43.8-177173.90000111.4M227 T228 V229 K233 A234 L235 M254 L264 L313M227-V231 WeakPolarHBondContact O-CB 3.21Å; M227-V231 VanDerWaalsContact O-CG2 3.31Å; M227-V231 WeakPolarHBondContact O-CG2 3.44Å; M227-V231 PolarHBondContact O-N 3.08Å; T228-V231 PolarHBondContact O-N 2.55Å; V229-V231 PolarHBondContact O-N 3.23Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 3.08Å; V231-A234 PolarHBondContact O-N 2.87Å; V231-L235 HydrophobicContact CG1-CD1 3.92Å; V231-L235 HydrophobicContact CG1-CG 4.33Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.42Å; V231-L235 PolarHBondContact O-N 3.23Å; V231-M254 HydrophobicContact CG1-CE 4.18Å; V231-M254 HydrophobicContact CG2-CE 4.4Å; V231-M254 HydrophobicContact CG2-CG 3.99Å; V231-M254 HydrophobicContact CG2-SD 4.01Å; V231-L264 HydrophobicContact CG1-CD1 4.39Å; V231-L313 HydrophobicContact CG1-CD1 3.99Å
232V98.5Very high95.7Very high0 Ų029.2 Ų29.20%014%0.141CC..Hα-helixtrans-65.6-38.3178.3171.80000110.9T228 L235 H236 L313 F361 L379 M380 F385T228-V232 HydrophobicContact CG2-CG2 4.15Å; T228-V232 VanDerWaalsContact O-CB 3.3Å; T228-V232 WeakPolarHBondContact O-CB 3.29Å; T228-V232 VanDerWaalsContact O-CG2 3.24Å; T228-V232 WeakPolarHBondContact O-CG2 3.48Å; T228-V232 PolarHBondContact O-N 3.14Å; V232-L235 PolarHBondContact O-N 3.42Å; V232-H236 VanDerWaalsContact O-CB 3.29Å; V232-H236 WeakPolarHBondContact O-CB 3.26Å; V232-H236 PolarHBondContact O-N 2.92Å; V232-L313 HydrophobicContact CG2-CD2 3.51Å; V232-F361 HydrophobicContact CG2-CZ 4.32Å; V232-L379 HydrophobicContact CG1-CB 4.22Å; V232-L379 HydrophobicContact CG2-CD1 4.43Å; V232-M380 HydrophobicContact CG1-CE 3.86Å; V232-M380 HydrophobicContact CG1-CG 3.75Å; V232-M380 WeakPolarHBondContact O-CE 3.33Å; V232-F385 HydrophobicContact CB-CD2 4.3Å; V232-F385 HydrophobicContact CB-CE2 3.91Å; V232-F385 HydrophobicContact CG1-CD2 4.27Å; V232-F385 HydrophobicContact CG1-CE2 3.89Å
233K97.8Very high95.1Very high54 Ų5430 Ų3024%0.23515%0.153CC..Hα-helixtrans-63.6-43.2172.5-74.9-175.2176.8-171.60112.6F183 V229 S230 V231 H236 Y237 M380 F385 E389F183-K233 HydrophobicContact CD2-CB 3.54Å; F183-K233 HydrophobicContact CD2-CD 4.12Å; F183-K233 HydrophobicContact CD2-CG 4.47Å; F183-K233 HydrophobicContact CE2-CB 3.76Å; F183-K233 HydrophobicContact CE2-CD 3.41Å; F183-K233 VanDerWaalsContact CE2-CD 3.41Å; F183-K233 HydrophobicContact CE2-CG 4.21Å; F183-K233 HydrophobicContact CG-CB 4.17Å; F183-K233 HydrophobicContact CZ-CD 3.67Å; V229-K233 HydrophobicContact CG1-CD 4.12Å; V229-K233 WeakPolarHBondContact O-CB 3.11Å; V229-K233 WeakPolarHBondContact O-CG 3.41Å; V229-K233 PolarHBondContact O-N 3.41Å; S230-K233 PolarHBondContact O-N 3.3Å; V231-K233 VanDerWaalsContact C-N 3.34Å; V231-K233 PolarHBondContact O-N 3.08Å; K233-H236 PolarHBondContact O-N 3.07Å; K233-Y237 WeakPolarHBondContact O-CB 3.41Å; K233-Y237 PolarHBondContact O-N 3.46Å; K233-M380 HydrophobicContact CB-CE 4.27Å; K233-M380 HydrophobicContact CG-CE 3.81Å; K233-F385 HydrophobicContact CD-CZ 4.49Å; K233-F385 HydrophobicContact CG-CE2 4.49Å; K233-F385 HydrophobicContact CG-CZ 4.03Å; K233-E389 WeakPolarHBondContact CE-OE1 3.48Å; K233-E389 IonicContact NZ-OE1 2.75Å; K233-E389 PolarHBondContact NZ-OE1 3.38Å
234A96.2Very high94.5Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-60-47.9175.300000111.9F183 I184 S230 V231 Y237 L238 L264F183-A234 HydrophobicContact CB-CB 3.85Å; F183-A234 WeakPolarHBondContact O-CB 3.32Å; I184-A234 HydrophobicContact CD1-CB 4.49Å; I184-A234 HydrophobicContact CG1-CB 3.82Å; S230-A234 WeakPolarHBondContact O-CB 3.37Å; S230-A234 PolarHBondContact O-N 3.32Å; V231-A234 PolarHBondContact O-N 2.87Å; A234-Y237 PolarHBondContact O-N 2.86Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 3.38Å; A234-L264 HydrophobicContact CB-CB 3.87Å; A234-L264 HydrophobicContact CB-CD2 3.96Å
235L96.1Very high94Very high1 Ų131.8 Ų31.81%0.00516%0.162CC..Hα-helixtrans-64.5-41.1179.2-70.4173.2000112.5V231 V232 L238 K239 H246 V249 L264 Y376V231-L235 HydrophobicContact CG1-CD1 3.92Å; V231-L235 HydrophobicContact CG1-CG 4.33Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.42Å; V231-L235 PolarHBondContact O-N 3.23Å; V232-L235 PolarHBondContact O-N 3.42Å; L235-L238 PolarHBondContact O-N 3.21Å; L235-K239 PolarHBondContact O-N 3.05Å; L235-K239 VanDerWaalsContact O-N 3.12Å; L235-H246 HydrophobicContact CD2-CB 3.55Å; L235-V249 HydrophobicContact CD1-CG2 4.13Å; L235-V249 HydrophobicContact CD2-CG2 3.7Å; L235-L264 HydrophobicContact CD2-CD2 3.68Å; L235-L264 HydrophobicContact CG-CD2 3.94Å; L235-Y376 HydrophobicContact CB-CD1 4.19Å; L235-Y376 HydrophobicContact CB-CD2 4.42Å; L235-Y376 HydrophobicContact CB-CE1 3.73Å; L235-Y376 HydrophobicContact CB-CE2 3.94Å; L235-Y376 HydrophobicContact CD1-CE1 3.91Å; L235-Y376 HydrophobicContact CG-CE1 4.39Å; L235-Y376 WeakPolarHBondContact O-CE2 3.47Å
236H96.6Very high93.6Very high52 Ų5231.8 Ų31.824%0.24116%0.162CC..Hα-helixtrans-63.5-46.8175.4-17553000111.8V232 K233 L238 K239 E240 Y376 M380V232-H236 VanDerWaalsContact O-CB 3.29Å; V232-H236 WeakPolarHBondContact O-CB 3.26Å; V232-H236 PolarHBondContact O-N 2.92Å; K233-H236 PolarHBondContact O-N 3.07Å; H236-L238 PolarHBondContact O-N 3.34Å; H236-K239 PolarHBondContact O-N 3.23Å; H236-K239 VanDerWaalsContact O-N 3.12Å; H236-E240 WeakPolarHBondContact CE1-CG 3.3Å; H236-E240 IonicContact CE1-OE1 2.91Å; H236-E240 WeakPolarHBondContact ND1-CG 3.36Å; H236-E240 IonicContact ND1-OE1 2.78Å; H236-E240 WeakPolarHBondContact O-CG 3.4Å; H236-E240 PolarHBondContact O-N 2.89Å; H236-Y376 HydrophobicContact CB-CD2 4.3Å; H236-Y376 HydrophobicContact CB-CG 4.38Å; H236-M380 HydrophobicContact CB-CE 3.28Å; H236-M380 HydrophobicContact CB-SD 4.35Å
237Y94.4Very high93.1Very high34 Ų3432.7 Ų32.713%0.13316%0.164CC..Hα-helixtrans-56.5-48175.4172.4-89.4000111.9C181 I184 K233 A234 K239 E240 E241 H242C181-Y237 HydrophobicContact CB-CD1 3.59Å; C181-Y237 HydrophobicContact CB-CD2 3.93Å; C181-Y237 HydrophobicContact CB-CE1 3.58Å; C181-Y237 HydrophobicContact CB-CE2 3.91Å; C181-Y237 HydrophobicContact CB-CG 3.77Å; I184-Y237 HydrophobicContact CD1-CD1 3.48Å; I184-Y237 VanDerWaalsContact CD1-CD1 3.48Å; I184-Y237 HydrophobicContact CD1-CE1 3.94Å; I184-Y237 HydrophobicContact CD1-CG 4.48Å; K233-Y237 WeakPolarHBondContact O-CB 3.41Å; K233-Y237 PolarHBondContact O-N 3.46Å; A234-Y237 PolarHBondContact O-N 2.86Å; Y237-K239 PolarHBondContact O-N 3.49Å; Y237-E240 PolarHBondContact O-N 2.91Å; Y237-E241 HydrophobicContact CD2-CB 4.24Å; Y237-E241 HydrophobicContact CD2-CG 3.52Å; Y237-E241 HydrophobicContact CE2-CB 4.07Å; Y237-E241 HydrophobicContact CE2-CG 3.6Å; Y237-E241 HydrophobicContact CG-CG 4.21Å; Y237-E241 WeakPolarHBondContact O-CB 3.26Å; Y237-E241 PolarHBondContact O-N 3.05Å; Y237-H242 AromaticContact CE1-CD2 3.46Å; Y237-H242 VanDerWaalsContact CE1-CD2 3.46Å; Y237-H242 WeakPolarHBondContact CE1-CD2 3.45Å; Y237-H242 AromaticContact CE1-NE2 3.26Å; Y237-H242 VanDerWaalsContact CE1-NE2 3.26Å; Y237-H242 WeakPolarHBondContact CE1-NE2 3.29Å; Y237-H242 AromaticContact CZ-CD2 3.87Å; Y237-H242 AromaticContact CZ-NE2 3.23Å; Y237-H242 PolarHBondContact OH-NE2 3.36Å
238L91.6Very high92.6Very high1 Ų133.1 Ų33.11%0.00517%0.167CC..Hα-helixtrans-56.6-40.6177.3-74.2171.7000111.8I184 A234 L235 H236 H242 G243 I244 H246 F267I184-L238 HydrophobicContact CD1-CD1 4.31Å; I184-L238 HydrophobicContact CD1-CD2 3.71Å; I184-L238 HydrophobicContact CD1-CG 3.71Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 3.38Å; L235-L238 PolarHBondContact O-N 3.21Å; H236-L238 PolarHBondContact O-N 3.34Å; L238-H242 CarbonylContact O-C 3.6Å; L238-H242 WeakPolarHBondContact O-CB 3.44Å; L238-H242 PolarHBondContact O-N 3.27Å; L238-G243 PolarHBondContact O-N 2.87Å; L238-I244 CarbonylContact C-O 3.46Å; L238-I244 HydrophobicContact CB-CB 4.35Å; L238-I244 HydrophobicContact CB-CG2 4.46Å; L238-I244 PolarHBondContact O-N 2.91Å; L238-H246 HydrophobicContact CD1-CB 4.46Å; L238-F267 HydrophobicContact CD1-CB 3.6Å; L238-F267 HydrophobicContact CD1-CD2 4.35Å; L238-F267 HydrophobicContact CD1-CG 3.94Å; L238-F267 HydrophobicContact CD2-CB 4.32Å; L238-F267 HydrophobicContact CD2-CD1 4.48Å; L238-F267 HydrophobicContact CD2-CD2 3.46Å; L238-F267 VanDerWaalsContact CD2-CD2 3.46Å; L238-F267 HydrophobicContact CD2-CE2 3.76Å; L238-F267 HydrophobicContact CD2-CG 3.85Å; L238-F267 HydrophobicContact CD2-CZ 4.4Å
239K91.2Very high92.3Very high69 Ų6933.1 Ų33.130%0.317%0.167SC..Hα-helixtrans-76.3-46.1-178.3172.359.5-157.663.30113.3L235 H236 Y237 G243 I244 I306 Y376L235-K239 PolarHBondContact O-N 3.05Å; L235-K239 VanDerWaalsContact O-N 3.12Å; H236-K239 PolarHBondContact O-N 3.23Å; H236-K239 VanDerWaalsContact O-N 3.12Å; Y237-K239 PolarHBondContact O-N 3.49Å; K239-G243 VanDerWaalsContact O-CA 3.25Å; K239-G243 WeakPolarHBondContact O-CA 3.41Å; K239-G243 PolarHBondContact O-N 3.31Å; K239-G243 VanDerWaalsContact O-N 3.13Å; K239-I244 WeakPolarHBondContact CA-O 3.27Å; K239-I244 PolarHBondContact N-O 2.9Å; K239-I306 HydrophobicContact CB-CG2 4.12Å; K239-I306 HydrophobicContact CD-CG2 3.72Å; K239-I306 HydrophobicContact CG-CD1 4.41Å; K239-I306 HydrophobicContact CG-CG2 3.85Å; K239-Y376 HydrophobicContact CB-CD2 4.25Å; K239-Y376 HydrophobicContact CB-CE2 3.97Å
240E93Very high92.1Very high108 Ų10833.9 Ų33.951%0.50517%0.169SC..Hα-helixtrans-77.4-47.6-174.4-63.1-50.6130.900111.6H236 Y237H236-E240 WeakPolarHBondContact CE1-CG 3.3Å; H236-E240 IonicContact CE1-OE1 2.91Å; H236-E240 WeakPolarHBondContact ND1-CG 3.36Å; H236-E240 IonicContact ND1-OE1 2.78Å; H236-E240 WeakPolarHBondContact O-CG 3.4Å; H236-E240 PolarHBondContact O-N 2.89Å; Y237-E240 PolarHBondContact O-N 2.91Å
241E90.5Very high91.9Very high132 Ų13233.2 Ų33.262%0.61717%0.165SC*.Hα-helixtrans-81.4-30.4-175-56.2-56.5142.600112.4Y237Y237-E241 HydrophobicContact CD2-CB 4.24Å; Y237-E241 HydrophobicContact CD2-CG 3.52Å; Y237-E241 HydrophobicContact CE2-CB 4.07Å; Y237-E241 HydrophobicContact CE2-CG 3.6Å; Y237-E241 HydrophobicContact CG-CG 4.21Å; Y237-E241 WeakPolarHBondContact O-CB 3.26Å; Y237-E241 PolarHBondContact O-N 3.05Å
242H85.1Confident91.5Very high52 Ų5235.3 Ų35.324%0.24118%0.179CC..Hα-helixtrans-125-3.4-171.7-55.6-77.1000114.9V174 Y237 L238 I244V174-H242 HydrophobicContact CG1-CB 3.54Å; Y237-H242 AromaticContact CE1-CD2 3.46Å; Y237-H242 VanDerWaalsContact CE1-CD2 3.46Å; Y237-H242 WeakPolarHBondContact CE1-CD2 3.45Å; Y237-H242 AromaticContact CE1-NE2 3.26Å; Y237-H242 VanDerWaalsContact CE1-NE2 3.26Å; Y237-H242 WeakPolarHBondContact CE1-NE2 3.29Å; Y237-H242 AromaticContact CZ-CD2 3.87Å; Y237-H242 AromaticContact CZ-NE2 3.23Å; Y237-H242 PolarHBondContact OH-NE2 3.36Å; L238-H242 CarbonylContact O-C 3.6Å; L238-H242 WeakPolarHBondContact O-CB 3.44Å; L238-H242 PolarHBondContact O-N 3.27Å; H242-I244 HydrophobicContact CB-CG1 4.16Å; H242-I244 PolarHBondContact O-N 3.36Å; H242-I244 VanDerWaalsContact O-N 3.17Å
243G85.4Confident91.2Very high53 Ų5335.7 Ų35.755%0.54618%0.181SC..  trans65.315.1-177.200000114.7L238 K239L238-G243 PolarHBondContact O-N 2.87Å; K239-G243 VanDerWaalsContact O-CA 3.25Å; K239-G243 WeakPolarHBondContact O-CA 3.41Å; K239-G243 PolarHBondContact O-N 3.31Å; K239-G243 VanDerWaalsContact O-N 3.13Å
244I84.8Confident91.1Very high13 Ų1333.2 Ų33.27%0.06717%0.171CC..  trans-89.9137.6-175.4-69.1-156.4000111.7V174 L238 K239 H242V174-I244 HydrophobicContact CB-CD1 3.54Å; V174-I244 HydrophobicContact CG1-CD1 3.36Å; V174-I244 HydrophobicContact CG1-CG1 4.08Å; V174-I244 HydrophobicContact CG2-CD1 3.72Å; V174-I244 HydrophobicContact CG2-CG1 4.4Å; L238-I244 CarbonylContact C-O 3.46Å; L238-I244 HydrophobicContact CB-CB 4.35Å; L238-I244 HydrophobicContact CB-CG2 4.46Å; L238-I244 PolarHBondContact O-N 2.91Å; K239-I244 WeakPolarHBondContact CA-O 3.27Å; K239-I244 PolarHBondContact N-O 2.9Å; H242-I244 HydrophobicContact CB-CG1 4.16Å; H242-I244 PolarHBondContact O-N 3.36Å; H242-I244 VanDerWaalsContact O-N 3.17Å
245I87Confident91.1Very high31 Ų3134.6 Ų34.616%0.15918%0.178CC..  trans-97.7134.8161.6-52176000107.2R247 Y304 I306 D309I245-R247 HydrophobicContact CB-CG 4Å; I245-R247 HydrophobicContact CG2-CG 3.71Å; I245-R247 WeakPolarHBondContact O-CG 3.44Å; I245-Y304 HydrophobicContact CG2-CE2 4.32Å; I245-I306 HydrophobicContact CG1-CG2 3.92Å; I245-D309 WeakPolarHBondContact CG2-OD2 3.43Å
246H88.9Confident91Very high1 Ų134.5 Ų34.51%0.00518%0.177CC..  trans-72.5-44.4-176.7-174.5-53.6000112.3L235 L238 D248 V249 L264 C265 D266 F267 D309L235-H246 HydrophobicContact CD2-CB 3.55Å; L238-H246 HydrophobicContact CD1-CB 4.46Å; H246-D248 PolarHBondContact CE1-O 3.48Å; H246-D248 PolarHBondContact ND1-N 2.79Å; H246-D248 PolarHBondContact O-N 3Å; H246-D248 VanDerWaalsContact O-N 3.15Å; H246-V249 HydrophobicContact CB-CG2 4Å; H246-L264 WeakPolarHBondContact CD2-CD2 3.43Å; H246-L264 WeakPolarHBondContact NE2-CG 3.46Å; H246-C265 PolarHBondContact CE1-O 3.42Å; H246-C265 PolarHBondContact NE2-O 2.73Å; H246-D266 PolarHBondContact CE1-O 2.98Å; H246-F267 HydrophobicContact CB-CB 4.5Å; H246-F267 VanDerWaalsContact CD2-CB 3.48Å; H246-F267 WeakPolarHBondContact CD2-CB 3.28Å; H246-D309 WeakPolarHBondContact CA-OD2 3.45Å; H246-D309 WeakPolarHBondContact CB-OD2 3.42Å; H246-D309 PolarHBondContact N-OD2 2.89Å
247R87.6Confident90.9Very high61 Ų6133.1 Ų33.123%0.2317%0.172CC..  trans70.2-4.4173.6-45.4166.3174.8-147.21.6117.3I245 D275 R293 Y304 D309I245-R247 HydrophobicContact CB-CG 4Å; I245-R247 HydrophobicContact CG2-CG 3.71Å; I245-R247 WeakPolarHBondContact O-CG 3.44Å; R247-D275 WeakPolarHBondContact CD-OD2 3.47Å; R247-D275 IonicContact CZ-OD2 3.25Å; R247-D275 IonicContact NE-OD2 3.52Å; R247-D275 IonicContact NH1-OD2 3Å; R247-D275 PolarHBondContact NH1-OD2 3.16Å; R247-R293 PolarHBondContact O-NH1 3.39Å; R247-R293 PolarHBondContact O-NH2 3.42Å; R247-Y304 WeakPolarHBondContact CB-OH 3.27Å; R247-Y304 VanDerWaalsContact CD-OH 3.28Å; R247-Y304 WeakPolarHBondContact CD-OH 3.4Å; R247-Y304 HydrophobicContact CG-CE2 4.12Å; R247-Y304 WeakPolarHBondContact CG-OH 3.49Å; R247-D309 WeakPolarHBondContact CA-OD1 3.46Å; R247-D309 PolarHBondContact N-OD1 2.92Å; R247-D309 PolarHBondContact N-OD2 2.84Å; R247-D309 VanDerWaalsContact N-OD2 3.11Å
248D87Confident90.9Very high12 Ų1236.8 Ų36.86%0.06419%0.185CC..  trans-142.142.5-176.1-16434.1000111.2H246 K250 N253H246-D248 PolarHBondContact CE1-O 3.48Å; H246-D248 PolarHBondContact ND1-N 2.79Å; H246-D248 PolarHBondContact O-N 3Å; H246-D248 VanDerWaalsContact O-N 3.15Å; D248-K250 PolarHBondContact O-N 2.94Å; D248-K250 VanDerWaalsContact OD1-CE 3.28Å; D248-K250 WeakPolarHBondContact OD1-CE 3.5Å; D248-K250 IonicContact OD1-NZ 3.2Å; D248-K250 PolarHBondContact OD1-NZ 2.67Å; D248-K250 WeakPolarHBondContact OD2-CE 3.36Å; D248-K250 IonicContact OD2-NZ 3.97Å; D248-K250 PolarHBondContact OD2-NZ 3.47Å; D248-N253 PolarHBondContact O-ND2 3.44Å; D248-N253 PolarHBondContact OD2-ND2 2.89Å
249V93.1Very high91Very high0 Ų045 Ų450%022%0.221CC..  trans-72.2118.6177.3179.10000109.3L235 H246 M254 D309 S312 L313L235-V249 HydrophobicContact CD1-CG2 4.13Å; L235-V249 HydrophobicContact CD2-CG2 3.7Å; H246-V249 HydrophobicContact CB-CG2 4Å; V249-M254 HydrophobicContact CG1-CE 3.5Å; V249-D309 HydrophobicContact CG2-CB 3.86Å; V249-S312 WeakPolarHBondContact O-CB 3.48Å; V249-L313 HydrophobicContact CG1-CB 4.25Å
250K92.7Very high91.1Very high23 Ų2342.5 Ų42.510%0.121%0.214CC..SBendtrans-164.1162.8179.758.8-172.4175.7-152.40111D248 S252 N253 M254 Y288 S316D248-K250 PolarHBondContact O-N 2.94Å; D248-K250 VanDerWaalsContact OD1-CE 3.28Å; D248-K250 WeakPolarHBondContact OD1-CE 3.5Å; D248-K250 IonicContact OD1-NZ 3.2Å; D248-K250 PolarHBondContact OD1-NZ 2.67Å; D248-K250 WeakPolarHBondContact OD2-CE 3.36Å; D248-K250 IonicContact OD2-NZ 3.97Å; D248-K250 PolarHBondContact OD2-NZ 3.47Å; K250-S252 WeakPolarHBondContact CD-OG 3.32Å; K250-S252 VanDerWaalsContact CE-OG 3.23Å; K250-S252 WeakPolarHBondContact CE-OG 3.28Å; K250-S252 WeakPolarHBondContact CG-OG 3.24Å; K250-S252 PolarHBondContact O-N 3.17Å; K250-S252 VanDerWaalsContact O-N 3.09Å; K250-N253 HydrophobicContact CG-CB 4.41Å; K250-N253 PolarHBondContact O-N 3.26Å; K250-M254 PolarHBondContact O-N 2.93Å; K250-Y288 HydrophobicContact CB-CD1 4.1Å; K250-Y288 HydrophobicContact CB-CD2 3.63Å; K250-Y288 HydrophobicContact CB-CE1 4.1Å; K250-Y288 HydrophobicContact CB-CE2 3.61Å; K250-Y288 HydrophobicContact CB-CG 3.89Å; K250-Y288 HydrophobicContact CD-CD2 4.22Å; K250-Y288 HydrophobicContact CD-CE2 4.21Å; K250-S316 WeakPolarHBondContact CA-OG 3.26Å
251P94Very high91.2Very high0 Ų039.5 Ų39.50%020%0.204CC..G310 helixtrans-54.8-29.7-179.4-31.840.4000115.4L208 D209 N253 M254 Y288 L320L208-P251 HydrophobicContact CB-CB 3.97Å; L208-P251 WeakPolarHBondContact CB-O 3.49Å; L208-P251 PolarHBondContact N-O 3.17Å; L208-P251 VanDerWaalsContact N-O 3.08Å; D209-P251 HydrophobicContact CB-CB 4.06Å; D209-P251 PolarHBondContact N-O 2.92Å; P251-N253 VanDerWaalsContact C-N 3.27Å; P251-N253 PolarHBondContact O-N 3.42Å; P251-M254 PolarHBondContact O-N 3.17Å; P251-Y288 WeakPolarHBondContact CD-OH 3.18Å; P251-Y288 HydrophobicContact CG-CE1 4.39Å; P251-L320 HydrophobicContact CB-CD2 4.04Å; P251-L320 HydrophobicContact CG-CD2 4.09Å; P251-L320 HydrophobicContact CG-CG 4.2Å
252S90Very high91.5Very high44 Ų4433.4 Ų33.431%0.30818%0.175SC..G310 helixtrans-72.2-19177.750.80000114.1C207 K250C207-S252 WeakPolarHBondContact CB-O 3.48Å; K250-S252 WeakPolarHBondContact CD-OG 3.32Å; K250-S252 VanDerWaalsContact CE-OG 3.23Å; K250-S252 WeakPolarHBondContact CE-OG 3.28Å; K250-S252 WeakPolarHBondContact CG-OG 3.24Å; K250-S252 PolarHBondContact O-N 3.17Å; K250-S252 VanDerWaalsContact O-N 3.09Å
253N92.4Very high92Very high8 Ų832.2 Ų32.24%0.04317%0.169CC..G310 helixtrans-100.10.9176.8-69.9-13.4000113.3D248 K250 P251 C265D248-N253 PolarHBondContact O-ND2 3.44Å; D248-N253 PolarHBondContact OD2-ND2 2.89Å; K250-N253 HydrophobicContact CG-CB 4.41Å; K250-N253 PolarHBondContact O-N 3.26Å; P251-N253 VanDerWaalsContact C-N 3.27Å; P251-N253 PolarHBondContact O-N 3.42Å; N253-C265 VanDerWaalsContact CA-SG 3.59Å; N253-C265 PolarHBondContact O-N 3.45Å; N253-C265 PolarHBondContact O-SG 3.21Å; N253-C265 VanDerWaalsContact O-SG 3.38Å
254M95.3Very high92.5Very high3 Ų329.7 Ų29.72%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-103.2113.5175-61.6175.2-167.500108.7C207 L208 V231 V249 K250 P251 L264 L313 L320C207-M254 CarbonylContact C-O 3.44Å; C207-M254 VanDerWaalsContact CA-O 3.3Å; C207-M254 WeakPolarHBondContact CA-O 3.41Å; L208-M254 HydrophobicContact CB-CB 4.47Å; L208-M254 HydrophobicContact CD1-CB 3.49Å; L208-M254 VanDerWaalsContact CD1-CB 3.49Å; L208-M254 HydrophobicContact CD1-CG 4.27Å; L208-M254 HydrophobicContact CD1-SD 3.79Å; L208-M254 HydrophobicContact CG-CB 3.92Å; L208-M254 PolarHBondContact N-O 3.2Å; V231-M254 HydrophobicContact CG1-CE 4.18Å; V231-M254 HydrophobicContact CG2-CE 4.4Å; V231-M254 HydrophobicContact CG2-CG 3.99Å; V231-M254 HydrophobicContact CG2-SD 4.01Å; V249-M254 HydrophobicContact CG1-CE 3.5Å; K250-M254 PolarHBondContact O-N 2.93Å; P251-M254 PolarHBondContact O-N 3.17Å; M254-L264 HydrophobicContact CG-CD1 4.1Å; M254-L313 HydrophobicContact CE-CD1 4.12Å; M254-L320 HydrophobicContact SD-CD1 4.45Å
255L95.5Very high92.7Very high28 Ų2829.6 Ų29.615%0.14714%0.143CC..EExtended strand (participates in β ladder)trans-111.9150.1-169.9-52.3-170000112V185 M204 T206 C207 I262 K263 C265V185-L255 HydrophobicContact CG2-CD1 3.91Å; M204-L255 HydrophobicContact CB-CB 3.76Å; M204-L255 HydrophobicContact CB-CD1 3.87Å; M204-L255 HydrophobicContact CB-CG 4.42Å; M204-L255 HydrophobicContact CE-CB 4.06Å; M204-L255 HydrophobicContact CG-CB 3.69Å; M204-L255 HydrophobicContact CG-CD1 3.6Å; M204-L255 HydrophobicContact CG-CG 4.3Å; T206-L255 WeakPolarHBondContact O-CA 3.38Å; C207-L255 HydrophobicContact CB-CD2 3.36Å; L255-I262 WeakPolarHBondContact O-CA 3.21Å; L255-K263 PolarHBondContact N-O 3.47Å; L255-K263 PolarHBondContact O-N 2.94Å; L255-C265 HydrophobicContact CD1-CB 3.94Å; L255-C265 HydrophobicContact CG-CB 4.35Å
256L95.1Very high92.3Very high0 Ų029.7 Ų29.70%014%0.144CC..EExtended strand (participates in β ladder)trans-127.8149.2175.7-5592.5000111.6T205 T206 L208 L211 M227 T261 I262 I395 L399T205-L256 WeakPolarHBondContact CA-O 3.31Å; T205-L256 VanDerWaalsContact CB-O 3.27Å; T205-L256 WeakPolarHBondContact CB-O 3.25Å; T205-L256 PolarHBondContact N-O 3.17Å; T206-L256 HydrophobicContact CG2-CD1 4.49Å; T206-L256 PolarHBondContact N-O 3.08Å; T206-L256 PolarHBondContact O-N 3.47Å; L208-L256 HydrophobicContact CD2-CD1 3.2Å; L208-L256 HydrophobicContact CD2-CD2 4.33Å; L208-L256 HydrophobicContact CD2-CG 4.29Å; L208-L256 HydrophobicContact CG-CD1 3.74Å; L211-L256 HydrophobicContact CD2-CD1 4.38Å; M227-L256 HydrophobicContact CE-CD2 3.95Å; L256-T261 VanDerWaalsContact CA-O 3.31Å; L256-T261 WeakPolarHBondContact CA-O 3.39Å; L256-I262 HydrophobicContact CD2-CD1 4.38Å; L256-I262 HydrophobicContact CD2-CG1 3.76Å; L256-I262 HydrophobicContact CG-CG1 3.96Å; L256-I395 HydrophobicContact CD2-CG2 4.07Å; L256-L399 HydrophobicContact CB-CD2 4.29Å
257D94.2Very high91.7Very high23 Ų2330 Ų3012%0.12315%0.146CC..  trans-115.5172.417173.915000112.4M204 T205 K259 G260 T261 L399M204-D257 HydrophobicContact CE-CB 3.98Å; M204-D257 HydrophobicContact SD-CB 4.37Å; T205-D257 WeakPolarHBondContact OG1-CA 3.17Å; D257-K259 PolarHBondContact O-N 3.17Å; D257-K259 VanDerWaalsContact OD1-CA 3.3Å; D257-K259 WeakPolarHBondContact OD1-CA 3.33Å; D257-K259 VanDerWaalsContact OD1-CB 3.31Å; D257-K259 WeakPolarHBondContact OD1-CB 3.37Å; D257-K259 PolarHBondContact OD1-N 2.76Å; D257-G260 PolarHBondContact O-N 3.3Å; D257-G260 VanDerWaalsContact O-N 3.1Å; D257-G260 PolarHBondContact OD1-N 3.15Å; D257-T261 VanDerWaalsContact CG-CB 3.49Å; D257-T261 PolarHBondContact N-O 3.16Å; D257-T261 WeakPolarHBondContact OD1-CB 3.3Å; D257-T261 PolarHBondContact OD1-N 3.01Å; D257-T261 PolarHBondContact OD1-OG1 2.96Å; D257-T261 VanDerWaalsContact OD1-OG1 3.14Å; D257-T261 VanDerWaalsContact OD2-CB 3.22Å; D257-T261 WeakPolarHBondContact OD2-CB 3.32Å; D257-T261 PolarHBondContact OD2-OG1 3.25Å; D257-L399 WeakPolarHBondContact O-CD2 3.43Å
258W94.2Very high90.8Very high111 Ų11127.1 Ų27.142%0.4214%0.135SC..THydrogen-bonded Turntrans-69.4-8177.4-67.1119.4000115.1T205 G260 S396 L399 R400 L403T205-W258 HydrophobicContact CG2-CD2 3.93Å; T205-W258 VanDerWaalsContact CG2-CE2 3.41Å; T205-W258 HydrophobicContact CG2-CG 4.38Å; T205-W258 HydrophobicContact CG2-CH2 4.28Å; T205-W258 HydrophobicContact CG2-CZ2 3.63Å; T205-W258 PolarHBondContact OG1-N 3.4Å; T205-W258 PolarHBondContact OG1-NE1 2.95Å; W258-G260 VanDerWaalsContact C-N 3.31Å; W258-S396 PolarHBondContact O-OG 3.42Å; W258-S396 VanDerWaalsContact O-OG 3.09Å; W258-L399 HydrophobicContact CE3-CD2 3.98Å; W258-L399 HydrophobicContact CE3-CG 4.12Å; W258-L399 HydrophobicContact CZ3-CD2 4.32Å; W258-L399 HydrophobicContact CZ3-CG 4.01Å; W258-R400 HydrophobicContact CE3-CG 3.9Å; W258-R400 HydrophobicContact CZ3-CG 3.98Å; W258-L403 HydrophobicContact CH2-CB 3.52Å; W258-L403 HydrophobicContact CH2-CD1 3.67Å; W258-L403 HydrophobicContact CH2-CG 4.21Å; W258-L403 HydrophobicContact CZ2-CD1 4.25Å; W258-L403 HydrophobicContact CZ3-CB 3.98Å; W258-L403 HydrophobicContact CZ3-CD1 4.01Å; W258-L403 HydrophobicContact CZ3-CG 4.49Å
259K94.4Very high89.9Confident174 Ų17426.8 Ų26.876%0.75713%0.133SC*.THydrogen-bonded Turntrans-88.4-6.3173.7-58.4175.9-179.81750111.1D257 T261D257-K259 PolarHBondContact O-N 3.17Å; D257-K259 VanDerWaalsContact OD1-CA 3.3Å; D257-K259 WeakPolarHBondContact OD1-CA 3.33Å; D257-K259 VanDerWaalsContact OD1-CB 3.31Å; D257-K259 WeakPolarHBondContact OD1-CB 3.37Å; D257-K259 PolarHBondContact OD1-N 2.76Å; K259-T261 VanDerWaalsContact C-N 3.34Å
260G93.8Very high88.4Confident15 Ų1526.9 Ų26.916%0.15513%0.134CC..  trans83.112.4-175.200000113.1D257 W258D257-G260 PolarHBondContact O-N 3.3Å; D257-G260 VanDerWaalsContact O-N 3.1Å; D257-G260 PolarHBondContact OD1-N 3.15Å; W258-G260 VanDerWaalsContact C-N 3.31Å
261T95.3Very high86.7Confident46 Ų4625.8 Ų25.828%0.28213%0.129SC..  trans-73.1136.5175-38.70000109.4L256 D257 K259 K263L256-T261 VanDerWaalsContact CA-O 3.31Å; L256-T261 WeakPolarHBondContact CA-O 3.39Å; D257-T261 VanDerWaalsContact CG-CB 3.49Å; D257-T261 PolarHBondContact N-O 3.16Å; D257-T261 WeakPolarHBondContact OD1-CB 3.3Å; D257-T261 PolarHBondContact OD1-N 3.01Å; D257-T261 PolarHBondContact OD1-OG1 2.96Å; D257-T261 VanDerWaalsContact OD1-OG1 3.14Å; D257-T261 VanDerWaalsContact OD2-CB 3.22Å; D257-T261 WeakPolarHBondContact OD2-CB 3.32Å; D257-T261 PolarHBondContact OD2-OG1 3.25Å; K259-T261 VanDerWaalsContact C-N 3.34Å; T261-K263 HydrophobicContact CG2-CD 4.34Å; T261-K263 HydrophobicContact CG2-CG 3.92Å
262I96.4Very high85.4Confident4 Ų429.3 Ų29.32%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-114.7126.3173.6-66.4146.4000108.4K226 M227 S230 L255 L256 I395K226-I262 HydrophobicContact CB-CD1 4.33Å; M227-I262 HydrophobicContact CB-CD1 4.2Å; M227-I262 HydrophobicContact CB-CG2 4.5Å; M227-I262 HydrophobicContact CG-CD1 3.48Å; M227-I262 VanDerWaalsContact CG-CD1 3.48Å; M227-I262 HydrophobicContact CG-CG1 4.12Å; M227-I262 HydrophobicContact CG-CG2 4.35Å; S230-I262 WeakPolarHBondContact CB-O 3.44Å; L255-I262 WeakPolarHBondContact O-CA 3.21Å; L256-I262 HydrophobicContact CD2-CD1 4.38Å; L256-I262 HydrophobicContact CD2-CG1 3.76Å; L256-I262 HydrophobicContact CG-CG1 3.96Å; I262-I395 HydrophobicContact CD1-CD1 3.37Å; I262-I395 HydrophobicContact CG1-CD1 4.45Å
263K96.1Very high83.9Confident26 Ų2628 Ų2811%0.11313%0.132CC..EExtended strand (participates in β ladder)trans-134.3146.9-177.8-57.2-169.3178.6-165.80111.8P182 F183 V185 E202 M204 L255 T261P182-K263 VanDerWaalsContact O-CE 3.23Å; P182-K263 WeakPolarHBondContact O-CE 3.23Å; F183-K263 CarbonylContact O-C 3.59Å; F183-K263 VanDerWaalsContact O-CA 3.26Å; F183-K263 WeakPolarHBondContact O-CA 3.35Å; V185-K263 HydrophobicContact CG2-CB 3.81Å; E202-K263 VanDerWaalsContact CD-NZ 3.25Å; E202-K263 WeakPolarHBondContact OE1-CD 3.28Å; E202-K263 WeakPolarHBondContact OE1-CE 3.4Å; E202-K263 IonicContact OE1-NZ 3.12Å; E202-K263 PolarHBondContact OE1-NZ 3.3Å; E202-K263 IonicContact OE2-NZ 3.74Å; E202-K263 PolarHBondContact OE2-NZ 3.5Å; M204-K263 HydrophobicContact CE-CB 4.06Å; M204-K263 HydrophobicContact CE-CD 4.16Å; M204-K263 HydrophobicContact CE-CG 3.97Å; M204-K263 HydrophobicContact SD-CD 4.24Å; L255-K263 PolarHBondContact N-O 3.47Å; L255-K263 PolarHBondContact O-N 2.94Å; T261-K263 HydrophobicContact CG2-CD 4.34Å; T261-K263 HydrophobicContact CG2-CG 3.92Å
264L94.5Very high82.3Confident1 Ų127.8 Ų27.81%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-91.3139.2172.8-164.264.2000109.6F183 I184 V185 V231 A234 L235 H246 M254F183-L264 PolarHBondContact O-N 3.36Å; I184-L264 WeakPolarHBondContact CA-O 3.39Å; V185-L264 PolarHBondContact N-O 3.21Å; V231-L264 HydrophobicContact CG1-CD1 4.39Å; A234-L264 HydrophobicContact CB-CB 3.87Å; A234-L264 HydrophobicContact CB-CD2 3.96Å; L235-L264 HydrophobicContact CD2-CD2 3.68Å; L235-L264 HydrophobicContact CG-CD2 3.94Å; H246-L264 WeakPolarHBondContact CD2-CD2 3.43Å; H246-L264 WeakPolarHBondContact NE2-CG 3.46Å; M254-L264 HydrophobicContact CG-CD1 4.1Å
265C90.1Very high80.6Confident10 Ų1028.4 Ų28.47%0.06813%0.134CC..  trans-124.3174.5175710000111.4V185 H246 N253 L255 F267V185-C265 HydrophobicContact CB-CB 4.12Å; V185-C265 HydrophobicContact CG2-CB 3.73Å; H246-C265 PolarHBondContact CE1-O 3.42Å; H246-C265 PolarHBondContact NE2-O 2.73Å; N253-C265 VanDerWaalsContact CA-SG 3.59Å; N253-C265 PolarHBondContact O-N 3.45Å; N253-C265 PolarHBondContact O-SG 3.21Å; N253-C265 VanDerWaalsContact O-SG 3.38Å; L255-C265 HydrophobicContact CD1-CB 3.94Å; L255-C265 HydrophobicContact CG-CB 4.35Å; C265-F267 VanDerWaalsContact C-N 3.33Å; C265-F267 PolarHBondContact O-N 2.78Å
266D78.9Confident78.9Confident33 Ų3329 Ų2918%0.17614%0.14CC..  trans63.429.5168.3-79.1-3.2000116.2K154 H246 S270K154-D266 WeakPolarHBondContact CD-OD1 3.44Å; K154-D266 IonicContact NZ-OD1 3.69Å; K154-D266 PolarHBondContact NZ-OD1 3.22Å; K154-D266 IonicContact NZ-OD2 2.79Å; K154-D266 PolarHBondContact NZ-OD2 2.8Å; H246-D266 PolarHBondContact CE1-O 2.98Å; D266-S270 WeakPolarHBondContact CB-OG 3.49Å; D266-S270 WeakPolarHBondContact O-CB 3.38Å; D266-S270 PolarHBondContact O-OG 2.75Å
267F75.9Confident76.9Confident7 Ų733.2 Ų33.23%0.03116%0.159CC..  trans-73.6150.6175.955.8-84.6000113V174 V175 S178 I184 L238 H246 C265 I269V174-F267 HydrophobicContact CG1-CE2 4.36Å; V175-F267 HydrophobicContact CB-CE2 4.14Å; V175-F267 HydrophobicContact CB-CZ 3.98Å; V175-F267 HydrophobicContact CG1-CZ 4.11Å; V175-F267 HydrophobicContact CG2-CD2 4.16Å; V175-F267 HydrophobicContact CG2-CE1 4.39Å; V175-F267 HydrophobicContact CG2-CE2 3.48Å; V175-F267 VanDerWaalsContact CG2-CE2 3.48Å; V175-F267 HydrophobicContact CG2-CZ 3.63Å; S178-F267 WeakPolarHBondContact OG-CZ 3.44Å; I184-F267 HydrophobicContact CG2-CD1 4Å; I184-F267 HydrophobicContact CG2-CE1 3.28Å; I184-F267 HydrophobicContact CG2-CZ 3.83Å; L238-F267 HydrophobicContact CD1-CB 3.6Å; L238-F267 HydrophobicContact CD1-CD2 4.35Å; L238-F267 HydrophobicContact CD1-CG 3.94Å; L238-F267 HydrophobicContact CD2-CB 4.32Å; L238-F267 HydrophobicContact CD2-CD1 4.48Å; L238-F267 HydrophobicContact CD2-CD2 3.46Å; L238-F267 VanDerWaalsContact CD2-CD2 3.46Å; L238-F267 HydrophobicContact CD2-CE2 3.76Å; L238-F267 HydrophobicContact CD2-CG 3.85Å; L238-F267 HydrophobicContact CD2-CZ 4.4Å; H246-F267 HydrophobicContact CB-CB 4.5Å; H246-F267 VanDerWaalsContact CD2-CB 3.48Å; H246-F267 WeakPolarHBondContact CD2-CB 3.28Å; C265-F267 VanDerWaalsContact C-N 3.33Å; C265-F267 PolarHBondContact O-N 2.78Å; F267-I269 VanDerWaalsContact C-N 3.28Å; F267-I269 PolarHBondContact O-N 2.7Å
268G68Low75Confident1 Ų133.5 Ų33.51%0.0117%0.165CC..SBendtrans69.5-73.2171.200000114S270 G271 R272G268-S270 PolarHBondContact O-N 3.14Å; G268-G271 PolarHBondContact O-N 3.45Å; G268-R272 WeakPolarHBondContact O-CG 3.35Å; G268-R272 PolarHBondContact O-N 2.79Å
269I67.7Low73.1Confident5 Ų536.8 Ų36.83%0.02618%0.182CC..Hα-helixtrans-57.2-54.9-175.2-55.3172000110.5M156 I168 D171 L172 V175 I199 F267 G271 R272 L273M156-I269 HydrophobicContact CE-CG2 4Å; M156-I269 HydrophobicContact SD-CG2 4.03Å; I168-I269 HydrophobicContact CG1-CG2 4.36Å; I168-I269 HydrophobicContact CG2-CG2 3.95Å; D171-I269 HydrophobicContact CB-CB 4.45Å; D171-I269 HydrophobicContact CB-CD1 4.43Å; D171-I269 HydrophobicContact CB-CG1 3.43Å; D171-I269 VanDerWaalsContact CB-CG1 3.43Å; L172-I269 HydrophobicContact CB-CD1 4.36Å; L172-I269 HydrophobicContact CD1-CD1 4.17Å; V175-I269 HydrophobicContact CG2-CD1 3.67Å; V175-I269 HydrophobicContact CG2-CG1 4.28Å; I199-I269 HydrophobicContact CD1-CD1 3.64Å; F267-I269 VanDerWaalsContact C-N 3.28Å; F267-I269 PolarHBondContact O-N 2.7Å; I269-G271 VanDerWaalsContact C-N 3.31Å; I269-G271 PolarHBondContact O-N 3.04Å; I269-R272 PolarHBondContact O-N 2.99Å; I269-L273 HydrophobicContact CG2-CD1 4.21Å; I269-L273 WeakPolarHBondContact O-CG 3.36Å; I269-L273 PolarHBondContact O-N 3.09Å; I269-L273 VanDerWaalsContact O-N 3.11Å
270S61.4Low71Confident2 Ų232.8 Ų32.81%0.01417%0.172CC..Hα-helixtrans-66.1-39.8-179.2-430000110.7K154 D266 G268 R272 L273 V274K154-S270 PolarHBondContact NZ-OG 2.82Å; D266-S270 WeakPolarHBondContact CB-OG 3.49Å; D266-S270 WeakPolarHBondContact O-CB 3.38Å; D266-S270 PolarHBondContact O-OG 2.75Å; G268-S270 PolarHBondContact O-N 3.14Å; S270-R272 PolarHBondContact O-N 2.72Å; S270-L273 PolarHBondContact O-N 2.74Å; S270-V274 VanDerWaalsContact O-CB 3.29Å; S270-V274 WeakPolarHBondContact O-CB 3.35Å; S270-V274 WeakPolarHBondContact O-CG2 3.38Å; S270-V274 PolarHBondContact O-N 2.79Å
271G58.7Low68.9Low0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-58.4-43.8178.300000113.2G268 I269 V274 D275G268-G271 PolarHBondContact O-N 3.45Å; I269-G271 VanDerWaalsContact C-N 3.31Å; I269-G271 PolarHBondContact O-N 3.04Å; G271-V274 PolarHBondContact O-N 2.98Å; G271-D275 WeakPolarHBondContact O-CB 3.34Å; G271-D275 VanDerWaalsContact O-CG 3.24Å; G271-D275 PolarHBondContact O-N 3.47Å
272R65.5Low66.4Low75 Ų7535.1 Ų35.128%0.28318%0.176SC..Hα-helixtrans-72.2-36.2176.9-71.1-173-171.5160.77.4113.1R167 D171 G268 I269 S270 D275 S276R167-R272 PolarHBondContact O-NH1 3.19Å; D171-R272 IonicContact OD1-CZ 2.69Å; D171-R272 IonicContact OD1-NE 3.65Å; D171-R272 IonicContact OD1-NH1 2.93Å; D171-R272 PolarHBondContact OD1-NH1 2.83Å; D171-R272 IonicContact OD1-NH2 2.87Å; D171-R272 PolarHBondContact OD1-NH2 3.45Å; D171-R272 WeakPolarHBondContact OD2-CD 3.21Å; D171-R272 IonicContact OD2-CZ 2.75Å; D171-R272 IonicContact OD2-NE 3.2Å; D171-R272 PolarHBondContact OD2-NE 2.56Å; D171-R272 VanDerWaalsContact OD2-NE 3.15Å; D171-R272 IonicContact OD2-NH1 2.91Å; D171-R272 PolarHBondContact OD2-NH1 2.59Å; D171-R272 IonicContact OD2-NH2 3.96Å; G268-R272 WeakPolarHBondContact O-CG 3.35Å; G268-R272 PolarHBondContact O-N 2.79Å; I269-R272 PolarHBondContact O-N 2.99Å; S270-R272 PolarHBondContact O-N 2.72Å; R272-D275 PolarHBondContact O-N 3.22Å; R272-S276 VanDerWaalsContact O-CB 3.3Å; R272-S276 WeakPolarHBondContact O-CB 3.36Å; R272-S276 PolarHBondContact O-N 2.82Å; R272-S276 PolarHBondContact O-OG 2.82Å
273L58.1Low63.8Low16 Ų1637.5 Ų37.58%0.08420%0.196CC..Hα-helixtrans-65.8-42173.2-72.3174000110.8C136 M156 E164 I168 I269 S270 S276 K277C136-L273 HydrophobicContact CB-CD1 3.98Å; M156-L273 HydrophobicContact SD-CD1 4.31Å; E164-L273 HydrophobicContact CG-CD2 4.15Å; E164-L273 WeakPolarHBondContact OE1-CD2 3.41Å; I168-L273 HydrophobicContact CD1-CD1 4.5Å; I168-L273 HydrophobicContact CD1-CD2 3.95Å; I168-L273 HydrophobicContact CG1-CD2 4.28Å; I269-L273 HydrophobicContact CG2-CD1 4.21Å; I269-L273 WeakPolarHBondContact O-CG 3.36Å; I269-L273 PolarHBondContact O-N 3.09Å; I269-L273 VanDerWaalsContact O-N 3.11Å; S270-L273 PolarHBondContact O-N 2.74Å; L273-S276 PolarHBondContact O-N 3.09Å; L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 VanDerWaalsContact O-CG 3.28Å; L273-K277 WeakPolarHBondContact O-CG 3.41Å; L273-K277 PolarHBondContact O-N 3.12Å
274V58.3Low61.7Low3 Ų339 Ų392%0.01822%0.219CC..Hα-helixtrans-62.5-45.3172.3167.50000110.4T135 S270 G271 S276 K277 A278 C285T135-V274 WeakPolarHBondContact OG1-CG2 3.44Å; S270-V274 VanDerWaalsContact O-CB 3.29Å; S270-V274 WeakPolarHBondContact O-CB 3.35Å; S270-V274 WeakPolarHBondContact O-CG2 3.38Å; S270-V274 PolarHBondContact O-N 2.79Å; G271-V274 PolarHBondContact O-N 2.98Å; V274-S276 VanDerWaalsContact C-N 3.32Å; V274-S276 PolarHBondContact O-N 3.34Å; V274-K277 CarbonylContact O-C 3.6Å; V274-K277 PolarHBondContact O-N 2.9Å; V274-A278 WeakPolarHBondContact O-CB 3.4Å; V274-A278 PolarHBondContact O-N 3.18Å; V274-C285 HydrophobicContact CG1-CB 4.15Å; V274-C285 WeakPolarHBondContact CG1-SG 3.12Å
275D61.6Low60.1Low17 Ų1740.6 Ų40.69%0.09123%0.23CC..Hα-helixtrans-62.1-40.4175.3-78.3-23.1000111.8R247 G271 R272 A278 K279 R293 Y304R247-D275 WeakPolarHBondContact CD-OD2 3.47Å; R247-D275 IonicContact CZ-OD2 3.25Å; R247-D275 IonicContact NE-OD2 3.52Å; R247-D275 IonicContact NH1-OD2 3Å; R247-D275 PolarHBondContact NH1-OD2 3.16Å; G271-D275 WeakPolarHBondContact O-CB 3.34Å; G271-D275 VanDerWaalsContact O-CG 3.24Å; G271-D275 PolarHBondContact O-N 3.47Å; R272-D275 PolarHBondContact O-N 3.22Å; D275-A278 PolarHBondContact O-N 3.18Å; D275-K279 VanDerWaalsContact O-CB 3.27Å; D275-K279 WeakPolarHBondContact O-CB 3.39Å; D275-K279 WeakPolarHBondContact O-CG 3.47Å; D275-K279 PolarHBondContact O-N 3.02Å; D275-R293 IonicContact OD1-CZ 2.88Å; D275-R293 IonicContact OD1-NH2 2.72Å; D275-R293 PolarHBondContact OD1-NH2 3.36Å; D275-Y304 PolarHBondContact OD1-OH 3.48Å; D275-Y304 PolarHBondContact OD2-OH 3.27Å
276S58.8Low59.6Low39 Ų3940.7 Ų40.727%0.27323%0.23SC..Hα-helixtrans-66.9-40.7178-58.90000110.5R272 L273 V274 K279 T280R272-S276 VanDerWaalsContact O-CB 3.3Å; R272-S276 WeakPolarHBondContact O-CB 3.36Å; R272-S276 PolarHBondContact O-N 2.82Å; R272-S276 PolarHBondContact O-OG 2.82Å; L273-S276 PolarHBondContact O-N 3.09Å; V274-S276 VanDerWaalsContact C-N 3.32Å; V274-S276 PolarHBondContact O-N 3.34Å; S276-K279 PolarHBondContact O-N 3.14Å; S276-T280 WeakPolarHBondContact O-CG2 3.43Å; S276-T280 PolarHBondContact O-N 2.87Å; S276-T280 PolarHBondContact O-OG1 3.21Å
277K54Low59.9Low89 Ų8940.3 Ų40.339%0.38723%0.231SC..Hα-helixtrans-68-36.4172.6-73.9-177.2-176.4-169.70113.2T135 L273 V274 T280 R281 T282T135-K277 PolarHBondContact O-NZ 3.13Å; L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 VanDerWaalsContact O-CG 3.28Å; L273-K277 WeakPolarHBondContact O-CG 3.41Å; L273-K277 PolarHBondContact O-N 3.12Å; V274-K277 CarbonylContact O-C 3.6Å; V274-K277 PolarHBondContact O-N 2.9Å; K277-T280 VanDerWaalsContact CA-OG1 3.25Å; K277-T280 WeakPolarHBondContact CA-OG1 3.1Å; K277-T280 CarbonylContact O-C 3.1Å; K277-T280 WeakPolarHBondContact O-CA 3.4Å; K277-T280 PolarHBondContact O-N 3.34Å; K277-T280 PolarHBondContact O-OG1 3.09Å; K277-R281 PolarHBondContact O-N 3.41Å; K277-T282 PolarHBondContact O-N 3.09Å; K277-T282 PolarHBondContact O-OG1 2.88Å
278A52.6Low60.7Low30 Ų3041.6 Ų41.625%0.24824%0.236CC..Hα-helixtrans-73.3-34.4176.900000111.2V274 D275 T280 R281 M289V274-A278 WeakPolarHBondContact O-CB 3.4Å; V274-A278 PolarHBondContact O-N 3.18Å; D275-A278 PolarHBondContact O-N 3.18Å; A278-T280 VanDerWaalsContact C-N 3.32Å; A278-R281 WeakPolarHBondContact O-CA 3.15Å; A278-R281 WeakPolarHBondContact O-CG 3.5Å; A278-R281 PolarHBondContact O-N 2.81Å; A278-M289 HydrophobicContact CB-CE 4.38Å
279K54.6Low61.7Low180 Ų18042.5 Ų42.578%0.78324%0.24SC*.Hα-helixtrans-64.3-38167.5-77.3177.5-178.4-171.30111D275 S276 R281D275-K279 VanDerWaalsContact O-CB 3.27Å; D275-K279 WeakPolarHBondContact O-CB 3.39Å; D275-K279 WeakPolarHBondContact O-CG 3.47Å; D275-K279 PolarHBondContact O-N 3.02Å; S276-K279 PolarHBondContact O-N 3.14Å; K279-R281 PolarHBondContact O-N 2.75Å
280T50Low62.9Low89 Ų8942.2 Ų42.255%0.54624%0.239SC..THydrogen-bonded Turntrans-80.713.3166.663.10000113.2S276 K277 A278 T282S276-T280 WeakPolarHBondContact O-CG2 3.43Å; S276-T280 PolarHBondContact O-N 2.87Å; S276-T280 PolarHBondContact O-OG1 3.21Å; K277-T280 VanDerWaalsContact CA-OG1 3.25Å; K277-T280 WeakPolarHBondContact CA-OG1 3.1Å; K277-T280 CarbonylContact O-C 3.1Å; K277-T280 WeakPolarHBondContact O-CA 3.4Å; K277-T280 PolarHBondContact O-N 3.34Å; K277-T280 PolarHBondContact O-OG1 3.09Å; A278-T280 VanDerWaalsContact C-N 3.32Å; T280-T282 PolarHBondContact O-N 3.33Å
281R49.8Very low64.4Low68 Ų6842.9 Ų42.926%0.25724%0.243SC..THydrogen-bonded Turntrans43.138.6173.5-64.2178.9173.3-170.8-4.9114L17 F21 M24 K277 A278 K279L17-R281 VanDerWaalsContact CD2-NE 3.34Å; F21-R281 VanDerWaalsContact CD1-O 3.25Å; F21-R281 WeakPolarHBondContact CD1-O 3.3Å; F21-R281 HydrophobicContact CE1-CB 4.09Å; F21-R281 WeakPolarHBondContact CE1-O 3.33Å; F21-R281 HydrophobicContact CZ-CB 4.23Å; M24-R281 HydrophobicContact CE-CB 3.41Å; M24-R281 VanDerWaalsContact CE-CB 3.41Å; M24-R281 WeakPolarHBondContact CE-O 3.42Å; M24-R281 HydrophobicContact SD-CB 3.9Å; M24-R281 VanDerWaalsContact SD-O 3.39Å; K277-R281 PolarHBondContact O-N 3.41Å; A278-R281 WeakPolarHBondContact O-CA 3.15Å; A278-R281 WeakPolarHBondContact O-CG 3.5Å; A278-R281 PolarHBondContact O-N 2.81Å; K279-R281 PolarHBondContact O-N 2.75Å
282T43.7Very low65.9Low42 Ų4243.5 Ų43.526%0.25825%0.246SC..  trans-74.5131.6173.4150000110.5K277 T280K277-T282 PolarHBondContact O-N 3.09Å; K277-T282 PolarHBondContact O-OG1 2.88Å; T280-T282 PolarHBondContact O-N 3.33Å
283A42.5Very low66.9Low55 Ų5541.5 Ų41.546%0.45524%0.239SC..SBendtrans-65.8140.1-174.800000112.4D333A283-D333 WeakPolarHBondContact CA-OD2 3.44Å; A283-D333 WeakPolarHBondContact CB-OD2 3.28Å
284G50.3Low68.1Low57 Ų5742 Ų4259%0.58824%0.242SC*.SBendtrans118.53.816700000118.4D333G284-D333 PolarHBondContact N-OD2 3.18Å
285C61.5Low69.2Low34 Ų3444.1 Ų44.123%0.2325%0.253CS..  trans-129.324.9-178.4-155.30000115.3T135 V274T135-C285 HydrophobicContact CG2-CB 4.17Å; V274-C285 HydrophobicContact CG1-CB 4.15Å; V274-C285 WeakPolarHBondContact CG1-SG 3.12Å
286V79.4Confident70.2Confident12 Ų1244.6 Ų44.67%0.07326%0.258CS..  trans-104.7-5.9-173.4-61.80000114.9Y288 M289 D333 L336 L337V286-Y288 VanDerWaalsContact C-N 3.29Å; V286-Y288 PolarHBondContact O-N 2.91Å; V286-Y288 VanDerWaalsContact O-N 3.16Å; V286-M289 HydrophobicContact CB-CE 4.48Å; V286-M289 HydrophobicContact CG1-CE 3.98Å; V286-M289 WeakPolarHBondContact O-CB 3.23Å; V286-M289 PolarHBondContact O-N 2.78Å; V286-D333 HydrophobicContact CG2-CB 4.05Å; V286-L336 HydrophobicContact CG2-CD2 4.03Å; V286-L337 HydrophobicContact CB-CD2 3.71Å; V286-L337 HydrophobicContact CB-CG 4.42Å; V286-L337 HydrophobicContact CG1-CD2 4.24Å; V286-L337 HydrophobicContact CG2-CD2 3.89Å; V286-L337 HydrophobicContact CG2-CG 4.12Å
287A86.4Confident71.1Confident25 Ų2547.5 Ų47.521%0.20728%0.276CS..THydrogen-bonded Turntrans-55.6-33.8-17300000115.8F325 L336A287-F325 HydrophobicContact CB-CE1 4.25Å; A287-F325 HydrophobicContact CB-CE2 3.94Å; A287-F325 HydrophobicContact CB-CZ 3.55Å; A287-F325 WeakPolarHBondContact O-CZ 3.47Å; A287-L336 HydrophobicContact CB-CD2 4.17Å
288Y91.7Very high72.3Confident35 Ų3546.7 Ų46.714%0.13728%0.275CS..THydrogen-bonded Turntrans-104.97-178.7-55.6-89.4000112.2K250 P251 V286 S312 I315 E319 F325K250-Y288 HydrophobicContact CB-CD1 4.1Å; K250-Y288 HydrophobicContact CB-CD2 3.63Å; K250-Y288 HydrophobicContact CB-CE1 4.1Å; K250-Y288 HydrophobicContact CB-CE2 3.61Å; K250-Y288 HydrophobicContact CB-CG 3.89Å; K250-Y288 HydrophobicContact CD-CD2 4.22Å; K250-Y288 HydrophobicContact CD-CE2 4.21Å; P251-Y288 WeakPolarHBondContact CD-OH 3.18Å; P251-Y288 HydrophobicContact CG-CE1 4.39Å; V286-Y288 VanDerWaalsContact C-N 3.29Å; V286-Y288 PolarHBondContact O-N 2.91Å; V286-Y288 VanDerWaalsContact O-N 3.16Å; Y288-S312 WeakPolarHBondContact O-CB 3.43Å; Y288-S312 PolarHBondContact O-OG 2.82Å; Y288-I315 HydrophobicContact CD1-CB 4.06Å; Y288-I315 HydrophobicContact CD1-CG2 3.58Å; Y288-I315 HydrophobicContact CE1-CG2 3.91Å; Y288-I315 HydrophobicContact CG-CG2 4.49Å; Y288-E319 VanDerWaalsContact CE1-OE2 3.26Å; Y288-E319 WeakPolarHBondContact CE1-OE2 3.48Å; Y288-E319 VanDerWaalsContact CZ-OE2 3.29Å; Y288-E319 PolarHBondContact OH-OE1 3.39Å; Y288-E319 PolarHBondContact OH-OE2 2.99Å; Y288-F325 HydrophobicContact CE1-CD2 4.48Å; Y288-F325 HydrophobicContact CE1-CE2 4.25Å
289M89.8Confident73.2Confident19 Ų1949.3 Ų49.39%0.09429%0.29CS..  trans-70.6135.3-174.1-168.3172.3-71.100110.6A278 V286 R293 V294 W311A278-M289 HydrophobicContact CB-CE 4.38Å; V286-M289 HydrophobicContact CB-CE 4.48Å; V286-M289 HydrophobicContact CG1-CE 3.98Å; V286-M289 WeakPolarHBondContact O-CB 3.23Å; V286-M289 PolarHBondContact O-N 2.78Å; M289-R293 HydrophobicContact CG-CB 3.42Å; M289-R293 VanDerWaalsContact CG-CB 3.42Å; M289-R293 HydrophobicContact CG-CG 4.45Å; M289-R293 HydrophobicContact SD-CB 3.89Å; M289-V294 HydrophobicContact CB-CG2 4.14Å; M289-V294 HydrophobicContact CG-CG2 3.76Å; M289-V294 HydrophobicContact SD-CG2 3.74Å; M289-W311 PolarHBondContact O-NE1 3.42Å; M289-W311 VanDerWaalsContact O-NE1 3.17Å
290A92.4Very high74Confident0 Ų050.1 Ų50.10%029%0.294CS..  trans-73.7150177.800000111.7E292 R293 V294 A308 W311A290-E292 WeakPolarHBondContact CB-OE1 3.45Å; A290-E292 WeakPolarHBondContact CB-OE2 3.48Å; A290-E292 PolarHBondContact O-N 3.15Å; A290-R293 WeakPolarHBondContact O-CA 3.19Å; A290-R293 WeakPolarHBondContact O-CB 3.47Å; A290-R293 PolarHBondContact O-N 3.1Å; A290-V294 PolarHBondContact O-N 2.87Å; A290-A308 HydrophobicContact CB-CB 3.94Å; A290-W311 VanDerWaalsContact CA-CD1 3.43Å; A290-W311 HydrophobicContact CB-CB 3.72Å; A290-W311 HydrophobicContact CB-CD2 4.43Å; A290-W311 HydrophobicContact CB-CG 3.73Å
291P92.3Very high74.8Confident15 Ų1549.9 Ų49.910%0.09729%0.289CS..Hα-helixtrans-52.7-41.1-177.6-26.833.6000113.3R293 V294 D295 W311 I340P291-R293 VanDerWaalsContact C-N 3.25Å; P291-R293 PolarHBondContact O-N 3.47Å; P291-V294 PolarHBondContact O-N 3.04Å; P291-D295 PolarHBondContact O-N 3.06Å; P291-W311 HydrophobicContact CG-CD2 4.4Å; P291-W311 HydrophobicContact CG-CE3 4.19Å; P291-W311 HydrophobicContact CG-CH2 3.65Å; P291-W311 HydrophobicContact CG-CZ2 3.88Å; P291-W311 HydrophobicContact CG-CZ3 3.81Å; P291-I340 HydrophobicContact CB-CG2 4.38Å; P291-I340 HydrophobicContact CG-CG2 3.94Å
292E90.1Very high75.5Confident14 Ų1449.2 Ų49.27%0.06530%0.298CS..Hα-helixtrans-68.9-19.217971.6-79.3-174.600114.1A290 P296 A308 H370 R373A290-E292 WeakPolarHBondContact CB-OE1 3.45Å; A290-E292 WeakPolarHBondContact CB-OE2 3.48Å; A290-E292 PolarHBondContact O-N 3.15Å; E292-P296 VanDerWaalsContact O-CA 3.24Å; E292-P296 WeakPolarHBondContact O-CA 3.22Å; E292-A308 WeakPolarHBondContact OE1-CA 3.3Å; E292-H370 HydrophobicContact CB-CB 4.39Å; E292-H370 HydrophobicContact CG-CB 3.98Å; E292-R373 IonicContact OE1-CZ 2.7Å; E292-R373 IonicContact OE1-NH1 2.73Å; E292-R373 PolarHBondContact OE1-NH1 2.8Å; E292-R373 IonicContact OE1-NH2 2.69Å; E292-R373 IonicContact OE2-CZ 3.79Å; E292-R373 IonicContact OE2-NH1 3.15Å; E292-R373 PolarHBondContact OE2-NH1 2.79Å; E292-R373 IonicContact OE2-NH2 2.8Å; E292-R373 PolarHBondContact OE2-NH2 3.4Å
293R86.7Confident76.8Confident33 Ų3354 Ų5413%0.12532%0.322CS..Hα-helixtrans-82.5-26170.9-75-179.568.9-175.84.6111.9R247 D275 M289 A290 P291 Y304 A308R247-R293 PolarHBondContact O-NH1 3.39Å; R247-R293 PolarHBondContact O-NH2 3.42Å; D275-R293 IonicContact OD1-CZ 2.88Å; D275-R293 IonicContact OD1-NH2 2.72Å; D275-R293 PolarHBondContact OD1-NH2 3.36Å; M289-R293 HydrophobicContact CG-CB 3.42Å; M289-R293 VanDerWaalsContact CG-CB 3.42Å; M289-R293 HydrophobicContact CG-CG 4.45Å; M289-R293 HydrophobicContact SD-CB 3.89Å; A290-R293 WeakPolarHBondContact O-CA 3.19Å; A290-R293 WeakPolarHBondContact O-CB 3.47Å; A290-R293 PolarHBondContact O-N 3.1Å; P291-R293 VanDerWaalsContact C-N 3.25Å; P291-R293 PolarHBondContact O-N 3.47Å; R293-Y304 HydrophobicContact CG-CD1 3.62Å; R293-Y304 HydrophobicContact CG-CD2 3.96Å; R293-Y304 HydrophobicContact CG-CE1 4.1Å; R293-Y304 HydrophobicContact CG-CE2 4.4Å; R293-Y304 HydrophobicContact CG-CG 3.53Å; R293-Y304 PolarHBondContact NH2-OH 2.91Å; R293-A308 HydrophobicContact CG-CB 4.06Å
294V83.6Confident78.7Confident26 Ų2653.5 Ų53.516%0.15831%0.309CS..Hα-helixtrans-83-47.8179.3-176.10000110.9M289 A290 P291 L337 I340 I341M289-V294 HydrophobicContact CB-CG2 4.14Å; M289-V294 HydrophobicContact CG-CG2 3.76Å; M289-V294 HydrophobicContact SD-CG2 3.74Å; A290-V294 PolarHBondContact O-N 2.87Å; P291-V294 PolarHBondContact O-N 3.04Å; V294-L337 HydrophobicContact CB-CD2 4.28Å; V294-L337 HydrophobicContact CG1-CB 3.98Å; V294-L337 HydrophobicContact CG1-CD1 4.28Å; V294-L337 HydrophobicContact CG1-CD2 3.65Å; V294-L337 HydrophobicContact CG1-CG 4.16Å; V294-L337 HydrophobicContact CG2-CD2 3.57Å; V294-I340 HydrophobicContact CG2-CG2 4.47Å; V294-I341 HydrophobicContact CB-CD1 3.9Å; V294-I341 HydrophobicContact CB-CG1 4.36Å; V294-I341 HydrophobicContact CG1-CD1 3.47Å; V294-I341 VanDerWaalsContact CG1-CD1 3.47Å; V294-I341 HydrophobicContact CG1-CG1 4.24Å
295D81.6Confident80.4Confident47 Ų4752.6 Ų52.625%0.25129%0.29SS..SBendtrans-130.988.8174.8-169.935.9000109F10 R13 P291 I341F10-D295 HydrophobicContact CD2-CB 4.36Å; F10-D295 VanDerWaalsContact CD2-OD2 3.32Å; F10-D295 WeakPolarHBondContact CD2-OD2 3.4Å; F10-D295 HydrophobicContact CE2-CB 4.08Å; R13-D295 IonicContact CZ-OD1 3.97Å; R13-D295 IonicContact NH1-OD1 2.7Å; R13-D295 PolarHBondContact NH1-OD1 3.43Å; R13-D295 IonicContact NH1-OD2 3.65Å; P291-D295 PolarHBondContact O-N 3.06Å; D295-I341 HydrophobicContact CB-CD1 3.61Å
296P82.1Confident81.9Confident28 Ų2851.5 Ų51.518%0.18228%0.282CS..  trans-57.2133.3177.5-24.733.5000111.5E292 D298 A302E292-P296 VanDerWaalsContact O-CA 3.24Å; E292-P296 WeakPolarHBondContact O-CA 3.22Å; P296-D298 PolarHBondContact O-N 3.42Å; P296-A302 HydrophobicContact CB-CB 4.1Å; P296-A302 HydrophobicContact CG-CB 3.76Å
297P78.9Confident82.7Confident100 Ų10052.8 Ų52.865%0.64929%0.286SS*.SBendtrans-58.7-32.2177.4-25.934.6000113.3
298D78.8Confident83.1Confident71 Ų7151.6 Ų51.638%0.3828%0.276SS..SBendtrans-111.9107.6171.1-175.8-7.8000109.5P296 F300 N301P296-D298 PolarHBondContact O-N 3.42Å; D298-F300 PolarHBondContact O-N 2.9Å; D298-F300 WeakPolarHBondContact OD1-CA 3.48Å; D298-F300 WeakPolarHBondContact OD1-CB 3.43Å; D298-F300 PolarHBondContact OD1-N 3.46Å; D298-N301 HydrophobicContact CB-CB 4.15Å; D298-N301 CarbonylContact O-C 3.59Å; D298-N301 PolarHBondContact O-N 3.22Å; D298-N301 VanDerWaalsContact O-N 3.14Å; D298-N301 VanDerWaalsContact O-O 3.1Å; D298-N301 PolarHBondContact OD1-N 3.28Å; D298-N301 WeakPolarHBondContact OD2-CB 3.38Å
299P71.8Confident83.2Confident85 Ų8550 Ų5055%0.55227%0.269SS*.THydrogen-bonded Turntrans-62.1-22.1177.2-2434.6000114.3
300F69.9Low83.6Confident197 Ų19749 Ų4986%0.86427%0.265SS*.THydrogen-bonded Turntrans-88.4-20.2178.5-56.6-76.6000112.2D298D298-F300 PolarHBondContact O-N 2.9Å; D298-F300 WeakPolarHBondContact OD1-CA 3.48Å; D298-F300 WeakPolarHBondContact OD1-CB 3.43Å; D298-F300 PolarHBondContact OD1-N 3.46Å
301N66.9Low83.9Confident84 Ų8449 Ų4945%0.44927%0.265SS..  trans-12877.2175.1-169.20.8000110.5D298 D303D298-N301 HydrophobicContact CB-CB 4.15Å; D298-N301 CarbonylContact O-C 3.59Å; D298-N301 PolarHBondContact O-N 3.22Å; D298-N301 VanDerWaalsContact O-N 3.14Å; D298-N301 VanDerWaalsContact O-O 3.1Å; D298-N301 PolarHBondContact OD1-N 3.28Å; D298-N301 WeakPolarHBondContact OD2-CB 3.38Å; N301-D303 PolarHBondContact O-N 2.77Å; N301-D303 VanDerWaalsContact OD1-CB 3.26Å; N301-D303 WeakPolarHBondContact OD1-CB 3.5Å; N301-D303 VanDerWaalsContact OD1-CG 3.31Å; N301-D303 PolarHBondContact OD1-N 3.49Å; N301-D303 PolarHBondContact OD1-OD2 3.11Å
302A64.3Low84.1Confident54 Ų5448.4 Ų48.445%0.44626%0.261SS..  trans-74.816.317800000113.6P296P296-A302 HydrophobicContact CB-CB 4.1Å; P296-A302 HydrophobicContact CG-CB 3.76Å
303D72.6Confident84.5Confident142 Ų14247.9 Ų47.976%0.75926%0.259SS*.  trans-69134177-71.7-16.1000110N301N301-D303 PolarHBondContact O-N 2.77Å; N301-D303 VanDerWaalsContact OD1-CB 3.26Å; N301-D303 WeakPolarHBondContact OD1-CB 3.5Å; N301-D303 VanDerWaalsContact OD1-CG 3.31Å; N301-D303 PolarHBondContact OD1-N 3.49Å; N301-D303 PolarHBondContact OD1-OD2 3.11Å
304Y80.5Confident85Confident45 Ų4546.3 Ų46.318%0.17625%0.253CS..  trans-119.1160.2172.564.4-89.4000108.3I245 R247 D275 R293 A308I245-Y304 HydrophobicContact CG2-CE2 4.32Å; R247-Y304 WeakPolarHBondContact CB-OH 3.27Å; R247-Y304 VanDerWaalsContact CD-OH 3.28Å; R247-Y304 WeakPolarHBondContact CD-OH 3.4Å; R247-Y304 HydrophobicContact CG-CE2 4.12Å; R247-Y304 WeakPolarHBondContact CG-OH 3.49Å; D275-Y304 PolarHBondContact OD1-OH 3.48Å; D275-Y304 PolarHBondContact OD2-OH 3.27Å; R293-Y304 HydrophobicContact CG-CD1 3.62Å; R293-Y304 HydrophobicContact CG-CD2 3.96Å; R293-Y304 HydrophobicContact CG-CE1 4.1Å; R293-Y304 HydrophobicContact CG-CE2 4.4Å; R293-Y304 HydrophobicContact CG-CG 3.53Å; R293-Y304 PolarHBondContact NH2-OH 2.91Å; Y304-A308 HydrophobicContact CD2-CB 3.56Å; Y304-A308 HydrophobicContact CE2-CB 4.19Å; Y304-A308 HydrophobicContact CG-CB 4.3Å
305D87.8Confident85.7Confident38 Ų3845.1 Ų45.120%0.20325%0.245CC..  trans-116.2-170.2177.975.67.3000112.2R307 A308D305-R307 VanDerWaalsContact CG-NE 3.26Å; D305-R307 PolarHBondContact O-N 3.45Å; D305-R307 WeakPolarHBondContact OD1-CB 3.2Å; D305-R307 WeakPolarHBondContact OD1-CG 3.29Å; D305-R307 IonicContact OD1-CZ 3.01Å; D305-R307 PolarHBondContact OD1-N 3.09Å; D305-R307 IonicContact OD1-NE 3.73Å; D305-R307 PolarHBondContact OD1-NE 3.26Å; D305-R307 IonicContact OD1-NH2 3.98Å; D305-R307 IonicContact OD2-CZ 3.8Å; D305-R307 IonicContact OD2-NE 2.65Å; D305-R307 PolarHBondContact OD2-NE 3.48Å; D305-R307 IonicContact OD2-NH2 3.23Å; D305-R307 PolarHBondContact OD2-NH2 2.7Å; D305-A308 WeakPolarHBondContact O-CB 3.2Å; D305-A308 PolarHBondContact O-N 3.43Å
306I92.8Very high86.4Confident11 Ų1142.9 Ų42.96%0.05623%0.233CC..THydrogen-bonded Turntrans-52.3-19.8178.356.5160.8000114.9K239 I245 A308 D309 V310 K375 Y376K239-I306 HydrophobicContact CB-CG2 4.12Å; K239-I306 HydrophobicContact CD-CG2 3.72Å; K239-I306 HydrophobicContact CG-CD1 4.41Å; K239-I306 HydrophobicContact CG-CG2 3.85Å; I245-I306 HydrophobicContact CG1-CG2 3.92Å; I306-A308 PolarHBondContact O-N 3.17Å; I306-D309 WeakPolarHBondContact O-CB 3.46Å; I306-D309 PolarHBondContact O-N 3.11Å; I306-D309 VanDerWaalsContact O-N 3.11Å; I306-V310 PolarHBondContact O-N 3.11Å; I306-K375 HydrophobicContact CD1-CB 3.93Å; I306-K375 HydrophobicContact CD1-CD 4.14Å; I306-K375 HydrophobicContact CD1-CG 3.93Å; I306-K375 HydrophobicContact CG1-CG 4.38Å; I306-Y376 HydrophobicContact CB-CD2 4.39Å; I306-Y376 HydrophobicContact CB-CE1 4.45Å; I306-Y376 HydrophobicContact CB-CE2 3.57Å; I306-Y376 WeakPolarHBondContact CB-OH 3.12Å; I306-Y376 HydrophobicContact CD1-CD2 3.65Å; I306-Y376 HydrophobicContact CD1-CE2 3.7Å; I306-Y376 HydrophobicContact CD1-CG 4.23Å; I306-Y376 HydrophobicContact CG1-CE2 4.24Å; I306-Y376 HydrophobicContact CG2-CE2 3.64Å; I306-Y376 PolarHBondContact O-OH 3.44Å
307R96Very high87.2Confident40 Ų4041.7 Ų41.715%0.15123%0.225CC..Hα-helixtrans-69.4-21.7178.4-64.5172.3-72.3-177.6-7111.5D305 D309 V310 W311 H370 R373 K375D305-R307 VanDerWaalsContact CG-NE 3.26Å; D305-R307 PolarHBondContact O-N 3.45Å; D305-R307 WeakPolarHBondContact OD1-CB 3.2Å; D305-R307 WeakPolarHBondContact OD1-CG 3.29Å; D305-R307 IonicContact OD1-CZ 3.01Å; D305-R307 PolarHBondContact OD1-N 3.09Å; D305-R307 IonicContact OD1-NE 3.73Å; D305-R307 PolarHBondContact OD1-NE 3.26Å; D305-R307 IonicContact OD1-NH2 3.98Å; D305-R307 IonicContact OD2-CZ 3.8Å; D305-R307 IonicContact OD2-NE 2.65Å; D305-R307 PolarHBondContact OD2-NE 3.48Å; D305-R307 IonicContact OD2-NH2 3.23Å; D305-R307 PolarHBondContact OD2-NH2 2.7Å; R307-D309 VanDerWaalsContact C-N 3.34Å; R307-V310 WeakPolarHBondContact O-CB 3.35Å; R307-V310 PolarHBondContact O-N 2.8Å; R307-W311 PolarHBondContact O-N 3.26Å; R307-W311 VanDerWaalsContact O-N 3.11Å; R307-H370 WeakPolarHBondContact CD-O 3.33Å; R307-H370 PolarHBondContact NE-O 2.77Å; R307-H370 PolarHBondContact NH1-O 2.73Å; R307-R373 HydrophobicContact CB-CB 4.47Å; R307-R373 WeakPolarHBondContact CD-O 3.33Å; R307-R373 WeakPolarHBondContact O-CD 3.4Å; R307-R373 PolarHBondContact O-NH1 3.16Å; R307-K375 HydrophobicContact CG-CG 3.96Å
308A93.9Very high88.1Confident0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-63.2-41.7169.500000111.6A290 E292 R293 Y304 D305 I306 V310 W311 S312A290-A308 HydrophobicContact CB-CB 3.94Å; E292-A308 WeakPolarHBondContact OE1-CA 3.3Å; R293-A308 HydrophobicContact CG-CB 4.06Å; Y304-A308 HydrophobicContact CD2-CB 3.56Å; Y304-A308 HydrophobicContact CE2-CB 4.19Å; Y304-A308 HydrophobicContact CG-CB 4.3Å; D305-A308 WeakPolarHBondContact O-CB 3.2Å; D305-A308 PolarHBondContact O-N 3.43Å; I306-A308 PolarHBondContact O-N 3.17Å; A308-V310 VanDerWaalsContact C-N 3.28Å; A308-V310 PolarHBondContact O-N 2.83Å; A308-W311 WeakPolarHBondContact O-CB 3.42Å; A308-W311 PolarHBondContact O-N 3.39Å; A308-S312 PolarHBondContact O-N 2.8Å; A308-S312 PolarHBondContact O-OG 2.86Å; A308-S312 VanDerWaalsContact O-OG 3.11Å
309D95.3Very high89Confident0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-67-30.6175.3-74.2-17.9000111.9I245 H246 R247 V249 I306 R307 S312 L313 Y376I245-D309 WeakPolarHBondContact CG2-OD2 3.43Å; H246-D309 WeakPolarHBondContact CA-OD2 3.45Å; H246-D309 WeakPolarHBondContact CB-OD2 3.42Å; H246-D309 PolarHBondContact N-OD2 2.89Å; R247-D309 WeakPolarHBondContact CA-OD1 3.46Å; R247-D309 PolarHBondContact N-OD1 2.92Å; R247-D309 PolarHBondContact N-OD2 2.84Å; R247-D309 VanDerWaalsContact N-OD2 3.11Å; V249-D309 HydrophobicContact CG2-CB 3.86Å; I306-D309 WeakPolarHBondContact O-CB 3.46Å; I306-D309 PolarHBondContact O-N 3.11Å; I306-D309 VanDerWaalsContact O-N 3.11Å; R307-D309 VanDerWaalsContact C-N 3.34Å; D309-S312 PolarHBondContact O-N 2.87Å; D309-L313 WeakPolarHBondContact O-CB 3.13Å; D309-L313 PolarHBondContact O-N 3.38Å; D309-Y376 WeakPolarHBondContact CB-OH 3.47Å
310V98.2Very high90.2Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-63.8-40.7173171.90000111.5I306 R307 A308 L313 G314 C365 R373 Y376 L379I306-V310 PolarHBondContact O-N 3.11Å; R307-V310 WeakPolarHBondContact O-CB 3.35Å; R307-V310 PolarHBondContact O-N 2.8Å; A308-V310 VanDerWaalsContact C-N 3.28Å; A308-V310 PolarHBondContact O-N 2.83Å; V310-L313 WeakPolarHBondContact O-CB 3.36Å; V310-L313 PolarHBondContact O-N 3Å; V310-G314 PolarHBondContact O-N 2.89Å; V310-C365 HydrophobicContact CG1-CB 4.03Å; V310-R373 HydrophobicContact CG1-CG 3.95Å; V310-Y376 HydrophobicContact CG2-CD1 3.8Å; V310-Y376 HydrophobicContact CG2-CE1 3.58Å; V310-L379 HydrophobicContact CB-CD1 4.46Å; V310-L379 HydrophobicContact CG1-CD1 3.85Å; V310-L379 HydrophobicContact CG2-CD1 3.86Å
311W97.7Very high91.6Very high0 Ų021.3 Ų21.30%012%0.116CC..Hα-helixtrans-63.4-47.6172.7172.3-81.1000111.5M289 A290 P291 R307 A308 L313 G314 I315 I340 P345 L366 K368M289-W311 PolarHBondContact O-NE1 3.42Å; M289-W311 VanDerWaalsContact O-NE1 3.17Å; A290-W311 VanDerWaalsContact CA-CD1 3.43Å; A290-W311 HydrophobicContact CB-CB 3.72Å; A290-W311 HydrophobicContact CB-CD2 4.43Å; A290-W311 HydrophobicContact CB-CG 3.73Å; P291-W311 HydrophobicContact CG-CD2 4.4Å; P291-W311 HydrophobicContact CG-CE3 4.19Å; P291-W311 HydrophobicContact CG-CH2 3.65Å; P291-W311 HydrophobicContact CG-CZ2 3.88Å; P291-W311 HydrophobicContact CG-CZ3 3.81Å; R307-W311 PolarHBondContact O-N 3.26Å; R307-W311 VanDerWaalsContact O-N 3.11Å; A308-W311 WeakPolarHBondContact O-CB 3.42Å; A308-W311 PolarHBondContact O-N 3.39Å; W311-L313 PolarHBondContact O-N 2.83Å; W311-G314 WeakPolarHBondContact O-CA 3.5Å; W311-G314 PolarHBondContact O-N 2.93Å; W311-I315 HydrophobicContact CZ2-CD1 4.21Å; W311-I315 PolarHBondContact O-N 2.82Å; W311-I340 HydrophobicContact CZ2-CG2 4.15Å; W311-P345 HydrophobicContact CH2-CB 4.2Å; W311-P345 HydrophobicContact CZ3-CB 4.46Å; W311-L366 HydrophobicContact CD2-CD2 3.89Å; W311-L366 HydrophobicContact CE3-CD2 4Å; W311-L366 HydrophobicContact CG-CD2 4.34Å; W311-L366 HydrophobicContact CZ2-CD2 4.45Å; W311-L366 HydrophobicContact CZ3-CB 4.37Å; W311-L366 HydrophobicContact CZ3-CD2 4.33Å; W311-L366 WeakPolarHBondContact CZ3-O 3.42Å; W311-K368 HydrophobicContact CH2-CG 4.2Å; W311-K368 HydrophobicContact CZ3-CG 4.05Å
312S96.1Very high92.9Very high2 Ų220.4 Ų20.41%0.01411%0.113CC..Hα-helixtrans-58.3-37.9178.1-56.30000112V249 Y288 A308 D309 S316V249-S312 WeakPolarHBondContact O-CB 3.48Å; Y288-S312 WeakPolarHBondContact O-CB 3.43Å; Y288-S312 PolarHBondContact O-OG 2.82Å; A308-S312 PolarHBondContact O-N 2.8Å; A308-S312 PolarHBondContact O-OG 2.86Å; A308-S312 VanDerWaalsContact O-OG 3.11Å; D309-S312 PolarHBondContact O-N 2.87Å; S312-S316 WeakPolarHBondContact O-CB 3.45Å; S312-S316 PolarHBondContact O-N 2.78Å; S312-S316 PolarHBondContact O-OG 3.4Å
313L98.1Very high94.4Very high3 Ų318.9 Ų18.92%0.01610%0.103CC..Hα-helixtrans-61.7-46.3169.6174.962.5000111.8V231 V232 V249 M254 D309 V310 W311 I315 S316 L317V231-L313 HydrophobicContact CG1-CD1 3.99Å; V232-L313 HydrophobicContact CG2-CD2 3.51Å; V249-L313 HydrophobicContact CG1-CB 4.25Å; M254-L313 HydrophobicContact CE-CD1 4.12Å; D309-L313 WeakPolarHBondContact O-CB 3.13Å; D309-L313 PolarHBondContact O-N 3.38Å; V310-L313 WeakPolarHBondContact O-CB 3.36Å; V310-L313 PolarHBondContact O-N 3Å; W311-L313 PolarHBondContact O-N 2.83Å; L313-I315 PolarHBondContact O-N 3.48Å; L313-S316 WeakPolarHBondContact O-CB 3.41Å; L313-S316 PolarHBondContact O-N 3.3Å; L313-L317 HydrophobicContact CD1-CD1 4.17Å; L313-L317 HydrophobicContact CD1-CG 4.07Å; L313-L317 HydrophobicContact CG-CD1 4.09Å; L313-L317 HydrophobicContact CG-CG 4.4Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.25Å
314G98.3Very high95.4Very high0 Ų014.6 Ų14.60%09%0.087CC..Hα-helixtrans-56.6-47.4176.600000112.9V310 W311 S316 L317 V318V310-G314 PolarHBondContact O-N 2.89Å; W311-G314 WeakPolarHBondContact O-CA 3.5Å; W311-G314 PolarHBondContact O-N 2.93Å; G314-S316 VanDerWaalsContact C-N 3.32Å; G314-S316 PolarHBondContact O-N 3.19Å; G314-L317 PolarHBondContact O-N 3.16Å; G314-V318 WeakPolarHBondContact O-CG2 3.44Å; G314-V318 PolarHBondContact O-N 3.23Å
315I97.6Very high96Very high0 Ų014.2 Ų14.20%09%0.087CC..Hα-helixtrans-62.4-42.5176.9-63.8-61000110.5Y288 W311 L313 L317 V318 E319 F325 P326 Y327 P346 L366Y288-I315 HydrophobicContact CD1-CB 4.06Å; Y288-I315 HydrophobicContact CD1-CG2 3.58Å; Y288-I315 HydrophobicContact CE1-CG2 3.91Å; Y288-I315 HydrophobicContact CG-CG2 4.49Å; W311-I315 HydrophobicContact CZ2-CD1 4.21Å; W311-I315 PolarHBondContact O-N 2.82Å; L313-I315 PolarHBondContact O-N 3.48Å; I315-L317 PolarHBondContact O-N 3.13Å; I315-V318 PolarHBondContact O-N 3.05Å; I315-E319 PolarHBondContact O-N 2.82Å; I315-F325 HydrophobicContact CG2-CD2 4.44Å; I315-F325 HydrophobicContact CG2-CE2 3.75Å; I315-P326 HydrophobicContact CD1-CG 4.45Å; I315-P326 HydrophobicContact CG2-CG 4.09Å; I315-Y327 HydrophobicContact CD1-CE2 4.07Å; I315-P346 HydrophobicContact CD1-CG 3.72Å; I315-L366 HydrophobicContact CD1-CD1 4.42Å; I315-L366 HydrophobicContact CD1-CD2 3.59Å; I315-L366 HydrophobicContact CG1-CD2 3.78Å
316S97.6Very high96.2Very high0 Ų014 Ų140%09%0.088CC..Hα-helixtrans-59.5-45.2175.7-56.30000111.3K250 S312 L313 G314 V318 E319 L320K250-S316 WeakPolarHBondContact CA-OG 3.26Å; S312-S316 WeakPolarHBondContact O-CB 3.45Å; S312-S316 PolarHBondContact O-N 2.78Å; S312-S316 PolarHBondContact O-OG 3.4Å; L313-S316 WeakPolarHBondContact O-CB 3.41Å; L313-S316 PolarHBondContact O-N 3.3Å; G314-S316 VanDerWaalsContact C-N 3.32Å; G314-S316 PolarHBondContact O-N 3.19Å; S316-V318 PolarHBondContact O-N 3Å; S316-E319 PolarHBondContact O-N 3.28Å; S316-L320 WeakPolarHBondContact O-CB 3.36Å; S316-L320 WeakPolarHBondContact O-CD1 3.37Å; S316-L320 WeakPolarHBondContact O-CG 3.46Å; S316-L320 PolarHBondContact O-N 3.08Å
317L98.4Very high96.2Very high3 Ų314 Ų142%0.0169%0.087CC..Hα-helixtrans-64.8-39.8179.9-71.1173.3000112.3T228 L313 G314 I315 L320 A321 F358 F361 V362T228-L317 WeakPolarHBondContact OG1-CD2 3.34Å; L313-L317 HydrophobicContact CD1-CD1 4.17Å; L313-L317 HydrophobicContact CD1-CG 4.07Å; L313-L317 HydrophobicContact CG-CD1 4.09Å; L313-L317 HydrophobicContact CG-CG 4.4Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.25Å; G314-L317 PolarHBondContact O-N 3.16Å; I315-L317 PolarHBondContact O-N 3.13Å; L317-L320 PolarHBondContact O-N 2.69Å; L317-A321 WeakPolarHBondContact O-CB 3.38Å; L317-A321 PolarHBondContact O-N 3Å; L317-F358 HydrophobicContact CB-CE2 4.36Å; L317-F358 HydrophobicContact CB-CZ 4.32Å; L317-F358 HydrophobicContact CD1-CE2 4.41Å; L317-F358 HydrophobicContact CD2-CE2 4.41Å; L317-F361 HydrophobicContact CD1-CD1 3.96Å; L317-F361 HydrophobicContact CD1-CE1 3.84Å; L317-V362 HydrophobicContact CB-CG2 4.03Å; L317-V362 HydrophobicContact CD1-CG2 4.29Å
318V97.8Very high95.7Very high5 Ų516.5 Ų16.53%0.0311%0.111CC..Hα-helixtrans-59.4-51.9173175.10000110.3G314 I315 S316 L320 A321 T322 P326 P346 V348 V362 L366G314-V318 WeakPolarHBondContact O-CG2 3.44Å; G314-V318 PolarHBondContact O-N 3.23Å; I315-V318 PolarHBondContact O-N 3.05Å; S316-V318 PolarHBondContact O-N 3Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 2.96Å; V318-A321 PolarHBondContact O-N 3.48Å; V318-T322 HydrophobicContact CG1-CG2 4.36Å; V318-T322 WeakPolarHBondContact O-CG2 3.44Å; V318-T322 PolarHBondContact O-N 2.97Å; V318-T322 PolarHBondContact O-OG1 3.39Å; V318-P326 HydrophobicContact CG1-CB 4.05Å; V318-P326 HydrophobicContact CG1-CG 4.21Å; V318-P346 HydrophobicContact CG1-CB 4.26Å; V318-P346 HydrophobicContact CG2-CG 4.44Å; V318-V348 HydrophobicContact CG2-CG1 4.25Å; V318-V362 HydrophobicContact CG2-CG1 3.57Å; V318-L366 HydrophobicContact CG2-CD1 3.79Å
319E97.3Very high95.5Very high14 Ų1421.2 Ų21.27%0.06514%0.136CC..Hα-helixtrans-58.7-44.4-179.4174.5178.6-171.300112.4I212 Y288 I315 S316 G323 A324 F325I212-E319 HydrophobicContact CD1-CG 3.83Å; Y288-E319 VanDerWaalsContact CE1-OE2 3.26Å; Y288-E319 WeakPolarHBondContact CE1-OE2 3.48Å; Y288-E319 VanDerWaalsContact CZ-OE2 3.29Å; Y288-E319 PolarHBondContact OH-OE1 3.39Å; Y288-E319 PolarHBondContact OH-OE2 2.99Å; I315-E319 PolarHBondContact O-N 2.82Å; S316-E319 PolarHBondContact O-N 3.28Å; E319-G323 CarbonylContact O-C 3.52Å; E319-G323 WeakPolarHBondContact O-CA 3.35Å; E319-G323 PolarHBondContact O-N 3.05Å; E319-A324 WeakPolarHBondContact CA-O 3.37Å; E319-A324 PolarHBondContact O-N 3.27Å; E319-F325 HydrophobicContact CG-CB 4.39Å
320L97.7Very high95.1Very high1 Ų122.4 Ų22.41%0.00514%0.144CC..Hα-helixtrans-70-35.4-179.6-64.1167.7000111.9L208 I212 G218 I219 L224 P251 M254 S316 L317 V318L208-L320 HydrophobicContact CB-CD2 3.66Å; L208-L320 HydrophobicContact CD1-CD1 3.6Å; L208-L320 HydrophobicContact CD1-CD2 4.09Å; L208-L320 HydrophobicContact CG-CD2 4.35Å; I212-L320 HydrophobicContact CD1-CD2 4.35Å; I212-L320 HydrophobicContact CG2-CD2 3.59Å; G218-L320 CarbonylContact C-O 3.55Å; G218-L320 WeakPolarHBondContact CA-O 3.18Å; I219-L320 HydrophobicContact CD1-CB 4.42Å; I219-L320 HydrophobicContact CD1-CD2 3.97Å; I219-L320 PolarHBondContact N-O 2.9Å; L224-L320 HydrophobicContact CD2-CB 3.59Å; L224-L320 HydrophobicContact CD2-CD1 4.27Å; P251-L320 HydrophobicContact CB-CD2 4.04Å; P251-L320 HydrophobicContact CG-CD2 4.09Å; P251-L320 HydrophobicContact CG-CG 4.2Å; M254-L320 HydrophobicContact SD-CD1 4.45Å; S316-L320 WeakPolarHBondContact O-CB 3.36Å; S316-L320 WeakPolarHBondContact O-CD1 3.37Å; S316-L320 WeakPolarHBondContact O-CG 3.46Å; S316-L320 PolarHBondContact O-N 3.08Å; L317-L320 PolarHBondContact O-N 2.69Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 2.96Å
321A97.7Very high94.4Very high6 Ų627.6 Ų27.65%0.0518%0.18CC..Hα-helixtrans-71.5-43179.100000112.6G218 L224 L317 V318 V348 F354 F358G218-A321 WeakPolarHBondContact CA-O 3.2Å; L224-A321 HydrophobicContact CD1-CB 3.68Å; L317-A321 WeakPolarHBondContact O-CB 3.38Å; L317-A321 PolarHBondContact O-N 3Å; V318-A321 PolarHBondContact O-N 3.48Å; A321-V348 HydrophobicContact CB-CG1 4.09Å; A321-F354 HydrophobicContact CB-CE1 3.86Å; A321-F354 HydrophobicContact CB-CE2 4.35Å; A321-F354 HydrophobicContact CB-CZ 3.64Å; A321-F358 HydrophobicContact CB-CE1 3.79Å; A321-F358 HydrophobicContact CB-CZ 3.99Å
322T95.6Very high93.8Very high64 Ų6430 Ų3039%0.39319%0.194SC..Hα-helixtrans-87-20.1-179.264.80000112.4V318 A324V318-T322 HydrophobicContact CG1-CG2 4.36Å; V318-T322 WeakPolarHBondContact O-CG2 3.44Å; V318-T322 PolarHBondContact O-N 2.97Å; V318-T322 PolarHBondContact O-OG1 3.39Å; T322-A324 PolarHBondContact OG1-N 3.23Å; T322-A324 PolarHBondContact OG1-O 3.32Å
323G95.2Very high93.2Very high23 Ų2331.8 Ų31.824%0.23720%0.204CC..SBendtrans77.86.6-17100000113.6E319E319-G323 CarbonylContact O-C 3.52Å; E319-G323 WeakPolarHBondContact O-CA 3.35Å; E319-G323 PolarHBondContact O-N 3.05Å
324A93.6Very high92.4Very high51 Ų5133.3 Ų33.342%0.42121%0.211SC..SBendtrans-140.3135.6-177.300000111.5E319 T322E319-A324 WeakPolarHBondContact CA-O 3.37Å; E319-A324 PolarHBondContact O-N 3.27Å; T322-A324 PolarHBondContact OG1-N 3.23Å; T322-A324 PolarHBondContact OG1-O 3.32Å
325F93.7Very high92Very high37 Ų3736.4 Ų36.416%0.16223%0.225CC..  trans-61.2129.4176.4-179.5-111.6000110.5A287 Y288 I315 E319 Y327 S328 L336A287-F325 HydrophobicContact CB-CE1 4.25Å; A287-F325 HydrophobicContact CB-CE2 3.94Å; A287-F325 HydrophobicContact CB-CZ 3.55Å; A287-F325 WeakPolarHBondContact O-CZ 3.47Å; Y288-F325 HydrophobicContact CE1-CD2 4.48Å; Y288-F325 HydrophobicContact CE1-CE2 4.25Å; I315-F325 HydrophobicContact CG2-CD2 4.44Å; I315-F325 HydrophobicContact CG2-CE2 3.75Å; E319-F325 HydrophobicContact CG-CB 4.39Å; F325-Y327 HydrophobicContact CE1-CD2 4.13Å; F325-Y327 HydrophobicContact CE1-CG 4.39Å; F325-Y327 AromaticContact CZ-CD2 3.89Å; F325-Y327 HydrophobicContact CZ-CD2 3.89Å; F325-Y327 PolarHBondContact O-N 3.32Å; F325-S328 VanDerWaalsContact O-CB 3.29Å; F325-S328 WeakPolarHBondContact O-CB 3.38Å; F325-S328 PolarHBondContact O-N 2.86Å; F325-S328 PolarHBondContact O-OG 3.21Å; F325-L336 HydrophobicContact CE1-CD1 4.17Å; F325-L336 HydrophobicContact CZ-CD1 4.26Å
326P92.7Very high91.6Very high35 Ų3537 Ų3723%0.22723%0.228CC..THydrogen-bonded Turntrans-61.2-20.8-170.419.1-32.8000115.3I315 V318 P346I315-P326 HydrophobicContact CD1-CG 4.45Å; I315-P326 HydrophobicContact CG2-CG 4.09Å; V318-P326 HydrophobicContact CG1-CB 4.05Å; V318-P326 HydrophobicContact CG1-CG 4.21Å; P326-P346 HydrophobicContact CB-CB 3.59Å; P326-P346 HydrophobicContact CB-CG 3.8Å; P326-P346 HydrophobicContact CG-CB 4.33Å; P326-P346 HydrophobicContact CG-CG 4.01Å
327Y91.7Very high91.2Very high11 Ų1137.3 Ų37.34%0.04323%0.23CC..THydrogen-bonded Turntrans-115.732.5178.7-51.3-78.2000112I315 F325 N329 C330 L336 R339 I340 P346I315-Y327 HydrophobicContact CD1-CE2 4.07Å; F325-Y327 HydrophobicContact CE1-CD2 4.13Å; F325-Y327 HydrophobicContact CE1-CG 4.39Å; F325-Y327 AromaticContact CZ-CD2 3.89Å; F325-Y327 HydrophobicContact CZ-CD2 3.89Å; F325-Y327 PolarHBondContact O-N 3.32Å; Y327-N329 PolarHBondContact O-N 3.4Å; Y327-N329 VanDerWaalsContact O-N 3.09Å; Y327-C330 PolarHBondContact O-N 3.02Å; Y327-C330 VanDerWaalsContact O-N 3.14Å; Y327-L336 VanDerWaalsContact CB-CD1 3.5Å; Y327-L336 HydrophobicContact CD2-CD1 3.76Å; Y327-L336 HydrophobicContact CG-CD1 3.72Å; Y327-R339 HydrophobicContact CD1-CB 4.18Å; Y327-R339 HydrophobicContact CE1-CB 4.16Å; Y327-I340 HydrophobicContact CE2-CG1 4.09Å; Y327-P346 HydrophobicContact CE2-CG 4.46Å; Y327-P346 WeakPolarHBondContact OH-CD 3.15Å
328S86.1Confident90.7Very high92 Ų9238 Ų3864%0.64324%0.235SC*.THydrogen-bonded Turntrans-62.7-14.7-177.161.70000114.6F325F325-S328 VanDerWaalsContact O-CB 3.29Å; F325-S328 WeakPolarHBondContact O-CB 3.38Å; F325-S328 PolarHBondContact O-N 2.86Å; F325-S328 PolarHBondContact O-OG 3.21Å
329N88.3Confident90.4Very high99 Ų9941 Ų4153%0.52925%0.246SC..THydrogen-bonded Turntrans-88-4.4178.469.6-38.3000113.8Y327 R339Y327-N329 PolarHBondContact O-N 3.4Å; Y327-N329 VanDerWaalsContact O-N 3.09Å; N329-R339 PolarHBondContact ND2-NH1 3.34Å; N329-R339 PolarHBondContact OD1-NH1 2.75Å
330C87.1Confident90.1Very high25 Ų2540.4 Ų40.417%0.16924%0.243CC..  trans-74.5128.3176.7-67.60000111.1Y327 E335 L336 R339Y327-C330 PolarHBondContact O-N 3.02Å; Y327-C330 VanDerWaalsContact O-N 3.14Å; C330-E335 WeakPolarHBondContact CA-OE2 3.4Å; C330-E335 HydrophobicContact CB-CB 4.32Å; C330-E335 HydrophobicContact CB-CG 4.26Å; C330-L336 HydrophobicContact CB-CB 4.06Å; C330-R339 VanDerWaalsContact SG-CD 3.52Å
331S83.3Confident89.7Confident109 Ų10942.2 Ų42.276%0.76225%0.252SS*.SBendtrans-87.2-16.6-179.1-61.80000112.8E335S331-E335 PolarHBondContact N-OE2 3Å
332T86.1Confident89.3Confident49 Ų4947.5 Ų47.530%0.30128%0.276SS..SBendtrans-139.9150.8-17967.70000111.8F334 E335 L336T332-F334 PolarHBondContact O-N 3.44Å; T332-E335 PolarHBondContact O-N 3.4Å; T332-E335 VanDerWaalsContact O-N 3.16Å; T332-E335 WeakPolarHBondContact OG1-CB 3.22Å; T332-E335 PolarHBondContact OG1-N 2.97Å; T332-E335 VanDerWaalsContact OG1-N 3.11Å; T332-L336 PolarHBondContact O-N 2.91Å; T332-L336 VanDerWaalsContact O-N 3.09Å
333D83Confident89.2Confident40 Ų4046.9 Ų46.921%0.21427%0.27CS..Hα-helixtrans-54-34.3170.9-74.31.7000111.6A283 G284 V286 L336 L337A283-D333 WeakPolarHBondContact CA-OD2 3.44Å; A283-D333 WeakPolarHBondContact CB-OD2 3.28Å; G284-D333 PolarHBondContact N-OD2 3.18Å; V286-D333 HydrophobicContact CG2-CB 4.05Å; D333-L336 WeakPolarHBondContact O-CB 3.25Å; D333-L336 PolarHBondContact O-N 3.43Å; D333-L337 WeakPolarHBondContact O-CB 3.49Å; D333-L337 VanDerWaalsContact O-CG 3.22Å; D333-L337 WeakPolarHBondContact O-CG 3.23Å; D333-L337 PolarHBondContact O-N 3.32Å
334F82.4Confident89.2Confident36 Ų3649.8 Ų49.816%0.15829%0.291CS..Hα-helixtrans-63.3-49.5177.8176.5-98.5000112.9L14 E18 T332 L336 L337 S338L14-F334 HydrophobicContact CB-CE2 4.25Å; L14-F334 HydrophobicContact CB-CZ 4.48Å; L14-F334 HydrophobicContact CD1-CD2 3.94Å; L14-F334 HydrophobicContact CD1-CE2 3.35Å; L14-F334 HydrophobicContact CD1-CZ 3.92Å; L14-F334 HydrophobicContact CD2-CE2 4.15Å; L14-F334 HydrophobicContact CD2-CZ 3.83Å; L14-F334 HydrophobicContact CG-CD2 4.31Å; L14-F334 HydrophobicContact CG-CE2 3.27Å; L14-F334 HydrophobicContact CG-CZ 3.4Å; L14-F334 VanDerWaalsContact CG-CZ 3.4Å; L14-F334 VanDerWaalsContact O-CE2 3.24Å; L14-F334 WeakPolarHBondContact O-CE2 3.5Å; E18-F334 HydrophobicContact CB-CD2 3.74Å; E18-F334 HydrophobicContact CB-CE2 3.64Å; E18-F334 HydrophobicContact CB-CG 4.3Å; E18-F334 HydrophobicContact CB-CZ 4.15Å; E18-F334 HydrophobicContact CG-CB 4.44Å; E18-F334 HydrophobicContact CG-CD1 4.28Å; E18-F334 HydrophobicContact CG-CD2 3.91Å; E18-F334 HydrophobicContact CG-CE1 4.49Å; E18-F334 HydrophobicContact CG-CE2 4.1Å; E18-F334 HydrophobicContact CG-CG 3.95Å; E18-F334 HydrophobicContact CG-CZ 4.37Å; T332-F334 PolarHBondContact O-N 3.44Å; F334-L336 VanDerWaalsContact C-N 3.29Å; F334-L336 PolarHBondContact O-N 3.06Å; F334-L337 PolarHBondContact O-N 2.92Å; F334-S338 PolarHBondContact O-N 3.45Å
335E89Confident89.3Confident64 Ų6449.3 Ų49.330%0.29928%0.284SS..Hα-helixtrans-59-45.3176.5-173-170.2162.700110.3C330 S331 T332 L337 S338 R339C330-E335 WeakPolarHBondContact CA-OE2 3.4Å; C330-E335 HydrophobicContact CB-CB 4.32Å; C330-E335 HydrophobicContact CB-CG 4.26Å; S331-E335 PolarHBondContact N-OE2 3Å; T332-E335 PolarHBondContact O-N 3.4Å; T332-E335 VanDerWaalsContact O-N 3.16Å; T332-E335 WeakPolarHBondContact OG1-CB 3.22Å; T332-E335 PolarHBondContact OG1-N 2.97Å; T332-E335 VanDerWaalsContact OG1-N 3.11Å; E335-L337 PolarHBondContact O-N 3.39Å; E335-S338 WeakPolarHBondContact O-CB 3.33Å; E335-S338 PolarHBondContact O-N 2.74Å; E335-R339 WeakPolarHBondContact O-CG 3.27Å; E335-R339 PolarHBondContact O-N 3.22Å
336L89.9Confident89.4Confident12 Ų1248.6 Ų48.66%0.06328%0.283CS..Hα-helixtrans-56.2-50.4175.3169.261.8000112V286 A287 F325 Y327 C330 T332 D333 F334 S338 R339 I340V286-L336 HydrophobicContact CG2-CD2 4.03Å; A287-L336 HydrophobicContact CB-CD2 4.17Å; F325-L336 HydrophobicContact CE1-CD1 4.17Å; F325-L336 HydrophobicContact CZ-CD1 4.26Å; Y327-L336 VanDerWaalsContact CB-CD1 3.5Å; Y327-L336 HydrophobicContact CD2-CD1 3.76Å; Y327-L336 HydrophobicContact CG-CD1 3.72Å; C330-L336 HydrophobicContact CB-CB 4.06Å; T332-L336 PolarHBondContact O-N 2.91Å; T332-L336 VanDerWaalsContact O-N 3.09Å; D333-L336 WeakPolarHBondContact O-CB 3.25Å; D333-L336 PolarHBondContact O-N 3.43Å; F334-L336 VanDerWaalsContact C-N 3.29Å; F334-L336 PolarHBondContact O-N 3.06Å; L336-S338 VanDerWaalsContact C-N 3.32Å; L336-S338 PolarHBondContact O-N 2.8Å; L336-R339 PolarHBondContact O-N 3.22Å; L336-I340 HydrophobicContact CD1-CD1 3.91Å; L336-I340 HydrophobicContact CD1-CG1 4.25Å; L336-I340 HydrophobicContact CG-CD1 4.06Å; L336-I340 WeakPolarHBondContact O-CG1 3.46Å; L336-I340 PolarHBondContact O-N 3.35Å
337L88Confident89.4Confident8 Ų850.6 Ų50.64%0.04230%0.295CS..Hα-helixtrans-60.6-40.8177.5-70.8-179.2000112.1F21 V286 V294 D333 F334 E335 I340 I341F21-L337 HydrophobicContact CE2-CD1 4.19Å; F21-L337 HydrophobicContact CZ-CD1 4.44Å; V286-L337 HydrophobicContact CB-CD2 3.71Å; V286-L337 HydrophobicContact CB-CG 4.42Å; V286-L337 HydrophobicContact CG1-CD2 4.24Å; V286-L337 HydrophobicContact CG2-CD2 3.89Å; V286-L337 HydrophobicContact CG2-CG 4.12Å; V294-L337 HydrophobicContact CB-CD2 4.28Å; V294-L337 HydrophobicContact CG1-CB 3.98Å; V294-L337 HydrophobicContact CG1-CD1 4.28Å; V294-L337 HydrophobicContact CG1-CD2 3.65Å; V294-L337 HydrophobicContact CG1-CG 4.16Å; V294-L337 HydrophobicContact CG2-CD2 3.57Å; D333-L337 WeakPolarHBondContact O-CB 3.49Å; D333-L337 VanDerWaalsContact O-CG 3.22Å; D333-L337 WeakPolarHBondContact O-CG 3.23Å; D333-L337 PolarHBondContact O-N 3.32Å; F334-L337 PolarHBondContact O-N 2.92Å; E335-L337 PolarHBondContact O-N 3.39Å; L337-I340 PolarHBondContact O-N 3.24Å; L337-I341 PolarHBondContact O-N 2.87Å
338S88.8Confident89.6Confident16 Ų1650.3 Ų50.311%0.11229%0.294CS..Hα-helixtrans-60.7-46.6176.1-162.40000111.1F334 E335 L336 I341 Q342F334-S338 PolarHBondContact O-N 3.45Å; E335-S338 WeakPolarHBondContact O-CB 3.33Å; E335-S338 PolarHBondContact O-N 2.74Å; L336-S338 VanDerWaalsContact C-N 3.32Å; L336-S338 PolarHBondContact O-N 2.8Å; S338-I341 PolarHBondContact O-N 2.69Å; S338-Q342 VanDerWaalsContact O-CB 3.31Å; S338-Q342 WeakPolarHBondContact O-CB 3.19Å; S338-Q342 WeakPolarHBondContact O-CG 3.43Å; S338-Q342 PolarHBondContact O-N 3.33Å; S338-Q342 PolarHBondContact OG-NE2 3.02Å; S338-Q342 PolarHBondContact OG-OE1 3.3Å
339R91.5Very high90Very high70 Ų7051.3 Ų51.326%0.26429%0.287SS..Hα-helixtrans-66.4-38.8179.5-65.6-166.980.6-1730.9112.5Y327 N329 C330 E335 L336 I341 Q342 D343Y327-R339 HydrophobicContact CD1-CB 4.18Å; Y327-R339 HydrophobicContact CE1-CB 4.16Å; N329-R339 PolarHBondContact ND2-NH1 3.34Å; N329-R339 PolarHBondContact OD1-NH1 2.75Å; C330-R339 VanDerWaalsContact SG-CD 3.52Å; E335-R339 WeakPolarHBondContact O-CG 3.27Å; E335-R339 PolarHBondContact O-N 3.22Å; L336-R339 PolarHBondContact O-N 3.22Å; R339-I341 PolarHBondContact O-N 2.95Å; R339-Q342 PolarHBondContact O-N 3.48Å; R339-D343 IonicContact CZ-OD2 3.35Å; R339-D343 IonicContact NE-OD2 2.7Å; R339-D343 PolarHBondContact NE-OD2 3.44Å; R339-D343 IonicContact NH2-OD2 3.16Å; R339-D343 PolarHBondContact NH2-OD2 3.03Å; R339-D343 WeakPolarHBondContact O-CB 3.3Å; R339-D343 PolarHBondContact O-N 3.45Å
340I91.2Very high90.4Very high0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-55.1-39.6173.5-71.6166.2000110.6P291 V294 W311 Y327 L336 L337 K368P291-I340 HydrophobicContact CB-CG2 4.38Å; P291-I340 HydrophobicContact CG-CG2 3.94Å; V294-I340 HydrophobicContact CG2-CG2 4.47Å; W311-I340 HydrophobicContact CZ2-CG2 4.15Å; Y327-I340 HydrophobicContact CE2-CG1 4.09Å; L336-I340 HydrophobicContact CD1-CD1 3.91Å; L336-I340 HydrophobicContact CD1-CG1 4.25Å; L336-I340 HydrophobicContact CG-CD1 4.06Å; L336-I340 WeakPolarHBondContact O-CG1 3.46Å; L336-I340 PolarHBondContact O-N 3.35Å; L337-I340 PolarHBondContact O-N 3.24Å; I340-K368 WeakPolarHBondContact O-CE 3.44Å; I340-K368 PolarHBondContact O-NZ 3.23Å
341I89Confident90.8Very high39 Ų3954.7 Ų54.720%0.231%0.311CS..Hα-helixtrans-84.6-39.1-178.1-66.9174.9000113F10 V294 D295 L337 S338 R339 K368F10-I341 HydrophobicContact CE1-CG2 4.13Å; F10-I341 HydrophobicContact CE2-CD1 3.42Å; F10-I341 VanDerWaalsContact CE2-CD1 3.42Å; F10-I341 HydrophobicContact CE2-CG2 4.16Å; F10-I341 HydrophobicContact CZ-CB 4.06Å; F10-I341 HydrophobicContact CZ-CD1 3.49Å; F10-I341 VanDerWaalsContact CZ-CD1 3.49Å; F10-I341 HydrophobicContact CZ-CG1 4.37Å; F10-I341 HydrophobicContact CZ-CG2 3.76Å; V294-I341 HydrophobicContact CB-CD1 3.9Å; V294-I341 HydrophobicContact CB-CG1 4.36Å; V294-I341 HydrophobicContact CG1-CD1 3.47Å; V294-I341 VanDerWaalsContact CG1-CD1 3.47Å; V294-I341 HydrophobicContact CG1-CG1 4.24Å; D295-I341 HydrophobicContact CB-CD1 3.61Å; L337-I341 PolarHBondContact O-N 2.87Å; S338-I341 PolarHBondContact O-N 2.69Å; R339-I341 PolarHBondContact O-N 2.95Å; I341-K368 PolarHBondContact O-NZ 2.9Å
342Q90.2Very high91.3Very high118 Ų11854.2 Ų54.255%0.55130%0.3SS*.Hα-helixtrans-93.6-42.3-169.9-67.8171.9-12.300113.4S338 R339S338-Q342 VanDerWaalsContact O-CB 3.31Å; S338-Q342 WeakPolarHBondContact O-CB 3.19Å; S338-Q342 WeakPolarHBondContact O-CG 3.43Å; S338-Q342 PolarHBondContact O-N 3.33Å; S338-Q342 PolarHBondContact OG-NE2 3.02Å; S338-Q342 PolarHBondContact OG-OE1 3.3Å; R339-Q342 PolarHBondContact O-N 3.48Å
343D93.1Very high91.8Very high51 Ų5155.2 Ų55.227%0.27332%0.32SS..SBendtrans-78.7161.3-171.5-68.313.8000111.9R339 K368R339-D343 IonicContact CZ-OD2 3.35Å; R339-D343 IonicContact NE-OD2 2.7Å; R339-D343 PolarHBondContact NE-OD2 3.44Å; R339-D343 IonicContact NH2-OD2 3.16Å; R339-D343 PolarHBondContact NH2-OD2 3.03Å; R339-D343 WeakPolarHBondContact O-CB 3.3Å; R339-D343 PolarHBondContact O-N 3.45Å; D343-K368 WeakPolarHBondContact O-CE 3.46Å; D343-K368 PolarHBondContact O-NZ 2.91Å
344A94.1Very high92.5Very high83 Ų8354.7 Ų54.769%0.68632%0.315SS*.PPolyproline II helixtrans-58.2145.6164.800000110.3
345P95.4Very high93.2Very high41 Ų4154.5 Ų54.527%0.26632%0.319SS..PPolyproline II helixtrans-59.6149.1174.525.8-33.2000110.7W311 L366 K368W311-P345 HydrophobicContact CH2-CB 4.2Å; W311-P345 HydrophobicContact CZ3-CB 4.46Å; P345-L366 HydrophobicContact CB-CB 3.89Å; P345-L366 WeakPolarHBondContact CB-O 3.46Å; P345-L366 WeakPolarHBondContact CG-O 3.35Å; P345-K368 HydrophobicContact CG-CG 4.48Å
346P95.6Very high93.6Very high23 Ų2355.9 Ų55.915%0.14933%0.333CS..PPolyproline II helixtrans-65.7147.4176.828.2-33.2000110I315 V318 P326 Y327 L366I315-P346 HydrophobicContact CD1-CG 3.72Å; V318-P346 HydrophobicContact CG1-CB 4.26Å; V318-P346 HydrophobicContact CG2-CG 4.44Å; P326-P346 HydrophobicContact CB-CB 3.59Å; P326-P346 HydrophobicContact CB-CG 3.8Å; P326-P346 HydrophobicContact CG-CB 4.33Å; P326-P346 HydrophobicContact CG-CG 4.01Å; Y327-P346 HydrophobicContact CE2-CG 4.46Å; Y327-P346 WeakPolarHBondContact OH-CD 3.15Å; P346-L366 HydrophobicContact CG-CD1 3.92Å; P346-L366 WeakPolarHBondContact O-CD1 3.18Å
347V94.1Very high94Very high77 Ų7758.8 Ų58.847%0.46735%0.348SS..  trans-128.4146.5-177-630000110.3K349V347-K349 HydrophobicContact CG2-CG 4.25Å
348V95.7Very high94.5Very high5 Ų558.4 Ų58.43%0.0335%0.346CS..  trans-96.7140.1162.2-66.40000108.2V318 A321 F354 F358 C359 V362V318-V348 HydrophobicContact CG2-CG1 4.25Å; A321-V348 HydrophobicContact CB-CG1 4.09Å; V348-F354 HydrophobicContact CB-CD2 3.95Å; V348-F354 HydrophobicContact CB-CE2 4.33Å; V348-F354 HydrophobicContact CG1-CE2 4.46Å; V348-F358 HydrophobicContact CB-CE1 4.49Å; V348-F358 HydrophobicContact CG1-CE1 4.39Å; V348-F358 HydrophobicContact CG2-CD1 4.09Å; V348-F358 HydrophobicContact CG2-CE1 4Å; V348-C359 HydrophobicContact CG2-CB 4.49Å; V348-C359 PolarHBondContact O-SG 2.9Å; V348-V362 HydrophobicContact CG2-CB 3.95Å; V348-V362 HydrophobicContact CG2-CG1 4.16Å; V348-V362 HydrophobicContact CG2-CG2 3.95Å
349K95.2Very high95Very high113 Ų11358.4 Ų58.449%0.49135%0.346SS..  trans-114.7149.7-172.3-57.4175-176.2174.40111.4V347 T351 D352V347-K349 HydrophobicContact CG2-CG 4.25Å; K349-T351 VanDerWaalsContact CB-OG1 3.3Å; K349-T351 WeakPolarHBondContact CB-OG1 3.18Å; K349-T351 PolarHBondContact O-N 2.84Å; K349-D352 WeakPolarHBondContact CB-OD2 3.21Å; K349-D352 WeakPolarHBondContact O-CB 3.24Å; K349-D352 PolarHBondContact O-N 2.88Å
350T96.2Very high95.3Very high81 Ų8157.9 Ų57.950%0.49735%0.349SS..G310 helixtrans-63.4-27.717252.20000112.3D352 G353 F354 P356T350-D352 PolarHBondContact O-N 2.95Å; T350-G353 PolarHBondContact O-N 3.28Å; T350-F354 WeakPolarHBondContact CA-O 3.39Å; T350-P356 HydrophobicContact CG2-CB 4.42Å; T350-P356 HydrophobicContact CG2-CG 4.06Å
351T95.5Very high95.7Very high114 Ų11457.9 Ų57.970%0.69935%0.349SS*.G310 helixtrans-62.2-21.6173.454.30000113.4K349 G353K349-T351 VanDerWaalsContact CB-OG1 3.3Å; K349-T351 WeakPolarHBondContact CB-OG1 3.18Å; K349-T351 PolarHBondContact O-N 2.84Å; T351-G353 VanDerWaalsContact C-N 3.28Å
352D93.9Very high96.2Very high99 Ų9956 Ų5653%0.52934%0.339SS..G310 helixtrans-90.86.4178.4-50.3-34000111.7K349 T350 F354K349-D352 WeakPolarHBondContact CB-OD2 3.21Å; K349-D352 WeakPolarHBondContact O-CB 3.24Å; K349-D352 PolarHBondContact O-N 2.88Å; T350-D352 PolarHBondContact O-N 2.95Å; D352-F354 HydrophobicContact CB-CD2 3.9Å; D352-F354 HydrophobicContact CB-CE2 3.88Å
353G95.3Very high96.5Very high70 Ų7053.8 Ų53.872%0.72233%0.333SS*.THydrogen-bonded Turntrans91.8717800000115.1T350 T351T350-G353 PolarHBondContact O-N 3.28Å; T351-G353 VanDerWaalsContact C-N 3.28Å
354F97.6Very high96.8Very high28 Ų2856.9 Ų56.912%0.12334%0.341CS..  trans-82.3148.3176.4-64.5-62.8000112.5E221 A321 V348 T350 D352 F358E221-F354 HydrophobicContact CB-CD1 4.38Å; E221-F354 WeakPolarHBondContact OE2-CA 3.38Å; A321-F354 HydrophobicContact CB-CE1 3.86Å; A321-F354 HydrophobicContact CB-CE2 4.35Å; A321-F354 HydrophobicContact CB-CZ 3.64Å; V348-F354 HydrophobicContact CB-CD2 3.95Å; V348-F354 HydrophobicContact CB-CE2 4.33Å; V348-F354 HydrophobicContact CG1-CE2 4.46Å; T350-F354 WeakPolarHBondContact CA-O 3.39Å; D352-F354 HydrophobicContact CB-CD2 3.9Å; D352-F354 HydrophobicContact CB-CE2 3.88Å; F354-F358 HydrophobicContact CB-CD1 3.94Å; F354-F358 AromaticContact CD1-CD1 3.53Å; F354-F358 HydrophobicContact CD1-CD1 3.53Å; F354-F358 AromaticContact CD1-CE1 3.68Å; F354-F358 HydrophobicContact CD1-CE1 3.68Å; F354-F358 HydrophobicContact CE1-CD1 4.31Å; F354-F358 AromaticContact CE1-CE1 4Å; F354-F358 HydrophobicContact CE1-CE1 4Å; F354-F358 AromaticContact CG-CD1 3.83Å; F354-F358 HydrophobicContact CG-CD1 3.83Å; F354-F358 HydrophobicContact CG-CE1 4.15Å
355S98.2Very high97Very high33 Ų3352.9 Ų52.923%0.23131%0.309CS..  trans-69149.1176.675.50000111.3E221 L357 F358 C359E221-S355 WeakPolarHBondContact OE1-CB 3.44Å; E221-S355 PolarHBondContact OE1-OG 3.4Å; E221-S355 PolarHBondContact OE2-N 2.98Å; S355-L357 PolarHBondContact O-N 3.23Å; S355-L357 VanDerWaalsContact O-N 3.14Å; S355-F358 PolarHBondContact O-N 3.16Å; S355-F358 VanDerWaalsContact O-N 3.08Å; S355-F358 PolarHBondContact OG-N 3.49Å; S355-F358 VanDerWaalsContact OG-N 3.11Å; S355-C359 PolarHBondContact O-N 2.7Å; S355-C359 PolarHBondContact O-SG 3.41Å
356P98.2Very high97.1Very high92 Ų9251 Ų5160%0.59730%0.296SS*.Hα-helixtrans-55.3-32.1172.9-25.934.1000112.9T350 D360T350-P356 HydrophobicContact CG2-CB 4.42Å; T350-P356 HydrophobicContact CG2-CG 4.06Å; P356-D360 WeakPolarHBondContact O-CB 3.29Å; P356-D360 PolarHBondContact O-N 2.91Å
357L98.3Very high97.2Very high74 Ų7451.8 Ų51.839%0.38730%0.301SS..Hα-helixtrans-68-41.5178.1-61.6-174.1000111.9S355 F361 H382 P383 F384S355-L357 PolarHBondContact O-N 3.23Å; S355-L357 VanDerWaalsContact O-N 3.14Å; L357-F361 WeakPolarHBondContact O-CB 3.34Å; L357-F361 PolarHBondContact O-N 2.95Å; L357-H382 PolarHBondContact O-CE1 3.17Å; L357-P383 HydrophobicContact CD1-CB 4.28Å; L357-P383 HydrophobicContact CD2-CB 3.97Å; L357-F384 HydrophobicContact CB-CB 4.05Å; L357-F384 HydrophobicContact CB-CD2 4.21Å
358F98.6Very high97.2Very high0 Ų051 Ų510%029%0.291CS..Hα-helixtrans-67.1-44.3176.1-178.1-129.5000111.3E221 L224 L317 A321 V348 F354 S355 D360 F361 V362 F384E221-F358 HydrophobicContact CG-CB 4.09Å; E221-F358 HydrophobicContact CG-CD1 4.13Å; E221-F358 HydrophobicContact CG-CG 4.03Å; L224-F358 HydrophobicContact CD1-CE1 4.17Å; L224-F358 HydrophobicContact CD1-CZ 3.8Å; L317-F358 HydrophobicContact CB-CE2 4.36Å; L317-F358 HydrophobicContact CB-CZ 4.32Å; L317-F358 HydrophobicContact CD1-CE2 4.41Å; L317-F358 HydrophobicContact CD2-CE2 4.41Å; A321-F358 HydrophobicContact CB-CE1 3.79Å; A321-F358 HydrophobicContact CB-CZ 3.99Å; V348-F358 HydrophobicContact CB-CE1 4.49Å; V348-F358 HydrophobicContact CG1-CE1 4.39Å; V348-F358 HydrophobicContact CG2-CD1 4.09Å; V348-F358 HydrophobicContact CG2-CE1 4Å; F354-F358 HydrophobicContact CB-CD1 3.94Å; F354-F358 AromaticContact CD1-CD1 3.53Å; F354-F358 HydrophobicContact CD1-CD1 3.53Å; F354-F358 AromaticContact CD1-CE1 3.68Å; F354-F358 HydrophobicContact CD1-CE1 3.68Å; F354-F358 HydrophobicContact CE1-CD1 4.31Å; F354-F358 AromaticContact CE1-CE1 4Å; F354-F358 HydrophobicContact CE1-CE1 4Å; F354-F358 AromaticContact CG-CD1 3.83Å; F354-F358 HydrophobicContact CG-CD1 3.83Å; F354-F358 HydrophobicContact CG-CE1 4.15Å; S355-F358 PolarHBondContact O-N 3.16Å; S355-F358 VanDerWaalsContact O-N 3.08Å; S355-F358 PolarHBondContact OG-N 3.49Å; S355-F358 VanDerWaalsContact OG-N 3.11Å; F358-D360 PolarHBondContact O-N 2.85Å; F358-F361 PolarHBondContact O-N 2.88Å; F358-V362 HydrophobicContact CD2-CG2 4.02Å; F358-V362 HydrophobicContact CE1-CG2 4.38Å; F358-V362 HydrophobicContact CE2-CG2 3.58Å; F358-V362 HydrophobicContact CZ-CG2 3.77Å; F358-V362 WeakPolarHBondContact O-CG2 3.1Å; F358-V362 PolarHBondContact O-N 3.11Å; F358-F384 HydrophobicContact CB-CD2 3.84Å; F358-F384 HydrophobicContact CB-CE2 3.52Å; F358-F384 HydrophobicContact CB-CZ 4.15Å; F358-F384 HydrophobicContact CD2-CD1 4.43Å; F358-F384 HydrophobicContact CD2-CD2 4.34Å; F358-F384 AromaticContact CD2-CE1 3.75Å; F358-F384 HydrophobicContact CD2-CE1 3.75Å; F358-F384 AromaticContact CD2-CE2 3.64Å; F358-F384 HydrophobicContact CD2-CE2 3.64Å; F358-F384 AromaticContact CD2-CZ 3.31Å; F358-F384 HydrophobicContact CD2-CZ 3.31Å; F358-F384 HydrophobicContact CE2-CE1 4.33Å; F358-F384 HydrophobicContact CE2-CZ 4.04Å; F358-F384 AromaticContact CG-CE2 3.9Å; F358-F384 HydrophobicContact CG-CE2 3.9Å; F358-F384 HydrophobicContact CG-CZ 4.03Å
359C98.5Very high97.1Very high16 Ų1654.4 Ų54.411%0.10831%0.309CS..Hα-helixtrans-55.3-51174.6-66.70000111.9V348 S355 F361 V362 T363V348-C359 HydrophobicContact CG2-CB 4.49Å; V348-C359 PolarHBondContact O-SG 2.9Å; S355-C359 PolarHBondContact O-N 2.7Å; S355-C359 PolarHBondContact O-SG 3.41Å; C359-F361 VanDerWaalsContact C-N 3.34Å; C359-F361 PolarHBondContact O-N 2.79Å; C359-V362 PolarHBondContact O-N 2.69Å; C359-T363 WeakPolarHBondContact O-CB 3.28Å; C359-T363 PolarHBondContact O-N 2.8Å; C359-T363 PolarHBondContact O-OG1 2.8Å; C359-T363 VanDerWaalsContact O-OG1 3.09Å
360D98.4Very high97Very high59 Ų5950.7 Ų50.732%0.31629%0.293SS..Hα-helixtrans-60.8-42178.1-172.640.7000111.8P356 F358 V362 T363 R364 H382P356-D360 WeakPolarHBondContact O-CB 3.29Å; P356-D360 PolarHBondContact O-N 2.91Å; F358-D360 PolarHBondContact O-N 2.85Å; D360-V362 PolarHBondContact O-N 2.88Å; D360-T363 PolarHBondContact O-N 2.8Å; D360-R364 VanDerWaalsContact CG-NE 3.34Å; D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 2.95Å; D360-R364 PolarHBondContact O-N 3.4Å; D360-R364 IonicContact OD1-CZ 3.27Å; D360-R364 IonicContact OD1-NE 2.88Å; D360-R364 PolarHBondContact OD1-NE 3.33Å; D360-R364 IonicContact OD1-NH2 3.8Å; D360-R364 IonicContact OD2-CZ 3.59Å; D360-R364 VanDerWaalsContact OD2-CZ 3.27Å; D360-R364 IonicContact OD2-NE 2.98Å; D360-R364 PolarHBondContact OD2-NE 2.88Å; D360-R364 IonicContact OD2-NH2 2.8Å; D360-R364 PolarHBondContact OD2-NH2 3.41Å; D360-H382 IonicContact OD2-CE1 3.6Å; D360-H382 IonicContact OD2-NE2 2.89Å; D360-H382 PolarHBondContact OD2-NE2 3.36Å
361F98.7Very high96.9Very high0 Ų053.7 Ų53.70%030%0.3CS..Hα-helixtrans-59.6-48.8178-171.3-86.7000111.8T228 V232 L317 L357 F358 C359 R364 C365 L379 H382 F384 F385T228-F361 HydrophobicContact CG2-CD1 4.2Å; T228-F361 HydrophobicContact CG2-CE1 3.36Å; T228-F361 HydrophobicContact CG2-CE2 4.16Å; T228-F361 HydrophobicContact CG2-CZ 3.34Å; V232-F361 HydrophobicContact CG2-CZ 4.32Å; L317-F361 HydrophobicContact CD1-CD1 3.96Å; L317-F361 HydrophobicContact CD1-CE1 3.84Å; L357-F361 WeakPolarHBondContact O-CB 3.34Å; L357-F361 PolarHBondContact O-N 2.95Å; F358-F361 PolarHBondContact O-N 2.88Å; C359-F361 VanDerWaalsContact C-N 3.34Å; C359-F361 PolarHBondContact O-N 2.79Å; F361-R364 PolarHBondContact O-N 2.7Å; F361-C365 PolarHBondContact O-N 3.1Å; F361-C365 PolarHBondContact O-SG 3.37Å; F361-C365 VanDerWaalsContact O-SG 3.38Å; F361-L379 HydrophobicContact CD2-CD2 4.49Å; F361-L379 HydrophobicContact CE2-CB 4.11Å; F361-L379 HydrophobicContact CE2-CD2 3.87Å; F361-L379 HydrophobicContact CZ-CB 4.22Å; F361-L379 HydrophobicContact CZ-CD1 4.4Å; F361-L379 HydrophobicContact CZ-CD2 3.93Å; F361-L379 HydrophobicContact CZ-CG 4.42Å; F361-H382 HydrophobicContact CD2-CB 3.86Å; F361-H382 AromaticContact CD2-CG 3.62Å; F361-H382 AromaticContact CD2-ND1 3.54Å; F361-H382 HydrophobicContact CE2-CB 4.12Å; F361-F384 HydrophobicContact CB-CB 3.99Å; F361-F384 HydrophobicContact CB-CD1 3.96Å; F361-F384 HydrophobicContact CB-CG 4.12Å; F361-F384 HydrophobicContact CD1-CD1 4.19Å; F361-F384 HydrophobicContact CD2-CB 4.15Å; F361-F384 AromaticContact CD2-CD1 3.96Å; F361-F384 HydrophobicContact CD2-CD1 3.96Å; F361-F384 HydrophobicContact CG-CB 4.32Å; F361-F384 AromaticContact CG-CD1 3.76Å; F361-F384 HydrophobicContact CG-CD1 3.76Å; F361-F384 HydrophobicContact CG-CG 4.36Å; F361-F385 HydrophobicContact CE2-CB 4.34Å
362V98.6Very high96.9Very high0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-63.8-44.3178.7172.60000111L317 V318 V348 F358 C359 D360 R364 C365 L366L317-V362 HydrophobicContact CB-CG2 4.03Å; L317-V362 HydrophobicContact CD1-CG2 4.29Å; V318-V362 HydrophobicContact CG2-CG1 3.57Å; V348-V362 HydrophobicContact CG2-CB 3.95Å; V348-V362 HydrophobicContact CG2-CG1 4.16Å; V348-V362 HydrophobicContact CG2-CG2 3.95Å; F358-V362 HydrophobicContact CD2-CG2 4.02Å; F358-V362 HydrophobicContact CE1-CG2 4.38Å; F358-V362 HydrophobicContact CE2-CG2 3.58Å; F358-V362 HydrophobicContact CZ-CG2 3.77Å; F358-V362 WeakPolarHBondContact O-CG2 3.1Å; F358-V362 PolarHBondContact O-N 3.11Å; C359-V362 PolarHBondContact O-N 2.69Å; D360-V362 PolarHBondContact O-N 2.88Å; V362-R364 VanDerWaalsContact C-N 3.34Å; V362-R364 PolarHBondContact O-N 3.44Å; V362-C365 WeakPolarHBondContact O-CB 3.44Å; V362-C365 PolarHBondContact O-N 2.88Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.48Å; V362-L366 WeakPolarHBondContact O-CG 3.01Å; V362-L366 PolarHBondContact O-N 3.32Å
363T98.1Very high97.1Very high70 Ų7050.4 Ų50.443%0.42927%0.273SS..Hα-helixtrans-59-43.6177.2-66.10000111.8C359 D360 L366 T367C359-T363 WeakPolarHBondContact O-CB 3.28Å; C359-T363 PolarHBondContact O-N 2.8Å; C359-T363 PolarHBondContact O-OG1 2.8Å; C359-T363 VanDerWaalsContact O-OG1 3.09Å; D360-T363 PolarHBondContact O-N 2.8Å; T363-L366 CarbonylContact O-C 3.42Å; T363-L366 PolarHBondContact O-N 2.86Å; T363-T367 PolarHBondContact O-N 3.2Å; T363-T367 PolarHBondContact O-OG1 2.95Å
364R98.2Very high97.2Very high116 Ų11647.9 Ų47.944%0.43824%0.244SC..Hα-helixtrans-62.8-44.5176.2-71175.5-169.4-124.58.7111.8D360 F361 V362 L366 T367 P374 H382D360-R364 VanDerWaalsContact CG-NE 3.34Å; D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 2.95Å; D360-R364 PolarHBondContact O-N 3.4Å; D360-R364 IonicContact OD1-CZ 3.27Å; D360-R364 IonicContact OD1-NE 2.88Å; D360-R364 PolarHBondContact OD1-NE 3.33Å; D360-R364 IonicContact OD1-NH2 3.8Å; D360-R364 IonicContact OD2-CZ 3.59Å; D360-R364 VanDerWaalsContact OD2-CZ 3.27Å; D360-R364 IonicContact OD2-NE 2.98Å; D360-R364 PolarHBondContact OD2-NE 2.88Å; D360-R364 IonicContact OD2-NH2 2.8Å; D360-R364 PolarHBondContact OD2-NH2 3.41Å; F361-R364 PolarHBondContact O-N 2.7Å; V362-R364 VanDerWaalsContact C-N 3.34Å; V362-R364 PolarHBondContact O-N 3.44Å; R364-L366 PolarHBondContact O-N 3.18Å; R364-T367 WeakPolarHBondContact O-CB 3.25Å; R364-T367 PolarHBondContact O-N 2.7Å; R364-T367 PolarHBondContact O-OG1 3.01Å; R364-P374 HydrophobicContact CB-CG 4.17Å; R364-P374 VanDerWaalsContact O-CD 3.31Å; R364-P374 WeakPolarHBondContact O-CD 3.32Å; R364-H382 PolarHBondContact NE-NE2 2.83Å
365C98.5Very high97.3Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-58.3-37.6175.2-72.20000112.5V310 F361 V362 T367 R373V310-C365 HydrophobicContact CG1-CB 4.03Å; F361-C365 PolarHBondContact O-N 3.1Å; F361-C365 PolarHBondContact O-SG 3.37Å; F361-C365 VanDerWaalsContact O-SG 3.38Å; V362-C365 WeakPolarHBondContact O-CB 3.44Å; V362-C365 PolarHBondContact O-N 2.88Å; C365-T367 VanDerWaalsContact C-N 3.32Å; C365-T367 PolarHBondContact O-N 3.05Å; C365-R373 VanDerWaalsContact O-CD 3.23Å; C365-R373 WeakPolarHBondContact O-CD 3.47Å
366L98.3Very high97.2Very high1 Ų149.8 Ų49.81%0.00525%0.248CC..THydrogen-bonded Turntrans-93.724.7-178-63.3178.2000114W311 I315 V318 P345 P346 V362 T363 R364 K368W311-L366 HydrophobicContact CD2-CD2 3.89Å; W311-L366 HydrophobicContact CE3-CD2 4Å; W311-L366 HydrophobicContact CG-CD2 4.34Å; W311-L366 HydrophobicContact CZ2-CD2 4.45Å; W311-L366 HydrophobicContact CZ3-CB 4.37Å; W311-L366 HydrophobicContact CZ3-CD2 4.33Å; W311-L366 WeakPolarHBondContact CZ3-O 3.42Å; I315-L366 HydrophobicContact CD1-CD1 4.42Å; I315-L366 HydrophobicContact CD1-CD2 3.59Å; I315-L366 HydrophobicContact CG1-CD2 3.78Å; V318-L366 HydrophobicContact CG2-CD1 3.79Å; P345-L366 HydrophobicContact CB-CB 3.89Å; P345-L366 WeakPolarHBondContact CB-O 3.46Å; P345-L366 WeakPolarHBondContact CG-O 3.35Å; P346-L366 HydrophobicContact CG-CD1 3.92Å; P346-L366 WeakPolarHBondContact O-CD1 3.18Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.48Å; V362-L366 WeakPolarHBondContact O-CG 3.01Å; V362-L366 PolarHBondContact O-N 3.32Å; T363-L366 CarbonylContact O-C 3.42Å; T363-L366 PolarHBondContact O-N 2.86Å; R364-L366 PolarHBondContact O-N 3.18Å; L366-K368 PolarHBondContact O-N 3.02Å
367T97.6Very high97.2Very high40 Ų4047.7 Ų47.725%0.24524%0.238CC..  trans-66.6118.1171-58.10000109.5T363 R364 C365 Q372 R373T363-T367 PolarHBondContact O-N 3.2Å; T363-T367 PolarHBondContact O-OG1 2.95Å; R364-T367 WeakPolarHBondContact O-CB 3.25Å; R364-T367 PolarHBondContact O-N 2.7Å; R364-T367 PolarHBondContact O-OG1 3.01Å; C365-T367 VanDerWaalsContact C-N 3.32Å; C365-T367 PolarHBondContact O-N 3.05Å; T367-Q372 HydrophobicContact CG2-CB 3.8Å; T367-R373 PolarHBondContact O-NE 2.98Å; T367-R373 PolarHBondContact O-NH2 2.91Å
368K94.3Very high97.2Very high60 Ų6050 Ų5026%0.26125%0.247SC..SBendtrans-63.3-45.8-176.1-69.1-164.8118.8179.50112.7W311 I340 I341 D343 P345 L366 H370 R373W311-K368 HydrophobicContact CH2-CG 4.2Å; W311-K368 HydrophobicContact CZ3-CG 4.05Å; I340-K368 WeakPolarHBondContact O-CE 3.44Å; I340-K368 PolarHBondContact O-NZ 3.23Å; I341-K368 PolarHBondContact O-NZ 2.9Å; D343-K368 WeakPolarHBondContact O-CE 3.46Å; D343-K368 PolarHBondContact O-NZ 2.91Å; P345-K368 HydrophobicContact CG-CG 4.48Å; L366-K368 PolarHBondContact O-N 3.02Å; K368-H370 PolarHBondContact O-N 3.14Å; K368-R373 PolarHBondContact O-NH2 3.26Å
369D93.2Very high97.2Very high76 Ų7650 Ų5041%0.40625%0.247SC..SBendtrans-68.4104.1172.5-176.93.6000109.4K371 Q372 R373D369-K371 PolarHBondContact O-N 3.35Å; D369-K371 VanDerWaalsContact O-N 3.08Å; D369-K371 WeakPolarHBondContact OD1-CB 3.4Å; D369-K371 PolarHBondContact OD1-N 2.98Å; D369-Q372 HydrophobicContact CB-CB 4.45Å; D369-Q372 HydrophobicContact CB-CG 4.25Å; D369-Q372 PolarHBondContact O-N 3.42Å; D369-R373 PolarHBondContact O-N 3.13Å
370H93.7Very high97.2Very high35 Ų3551 Ų5116%0.16225%0.25CS..THydrogen-bonded Turntrans-57.5-23.517877.8-79000112.1E292 R307 K368 Q372 R373E292-H370 HydrophobicContact CB-CB 4.39Å; E292-H370 HydrophobicContact CG-CB 3.98Å; R307-H370 WeakPolarHBondContact CD-O 3.33Å; R307-H370 PolarHBondContact NE-O 2.77Å; R307-H370 PolarHBondContact NH1-O 2.73Å; K368-H370 PolarHBondContact O-N 3.14Å; H370-Q372 VanDerWaalsContact C-N 3.3Å; H370-Q372 PolarHBondContact O-N 3.24Å; H370-R373 PolarHBondContact O-N 3.43Å
371K93.3Very high97.2Very high145 Ų14556.1 Ų56.163%0.6327%0.27SS*.THydrogen-bonded Turntrans-67-31.3175.4-64.5-176.3-179.3177.40112.9D369D369-K371 PolarHBondContact O-N 3.35Å; D369-K371 VanDerWaalsContact O-N 3.08Å; D369-K371 WeakPolarHBondContact OD1-CB 3.4Å; D369-K371 PolarHBondContact OD1-N 2.98Å
372Q96.2Very high97.2Very high141 Ų14156.5 Ų56.566%0.65927%0.272SS*.THydrogen-bonded Turntrans-93.5-17.6178-57.9-56.9-31.800112.9T367 D369 H370T367-Q372 HydrophobicContact CG2-CB 3.8Å; D369-Q372 HydrophobicContact CB-CB 4.45Å; D369-Q372 HydrophobicContact CB-CG 4.25Å; D369-Q372 PolarHBondContact O-N 3.42Å; H370-Q372 VanDerWaalsContact C-N 3.3Å; H370-Q372 PolarHBondContact O-N 3.24Å
373R97.7Very high97.2Very high3 Ų359.9 Ų59.91%0.01129%0.294CS..SBendtrans-65.4129.7176.8-163.5-175.6-57.3146.18.7110.3E292 R307 V310 C365 T367 K368 D369 H370E292-R373 IonicContact OE1-CZ 2.7Å; E292-R373 IonicContact OE1-NH1 2.73Å; E292-R373 PolarHBondContact OE1-NH1 2.8Å; E292-R373 IonicContact OE1-NH2 2.69Å; E292-R373 IonicContact OE2-CZ 3.79Å; E292-R373 IonicContact OE2-NH1 3.15Å; E292-R373 PolarHBondContact OE2-NH1 2.79Å; E292-R373 IonicContact OE2-NH2 2.8Å; E292-R373 PolarHBondContact OE2-NH2 3.4Å; R307-R373 HydrophobicContact CB-CB 4.47Å; R307-R373 WeakPolarHBondContact CD-O 3.33Å; R307-R373 WeakPolarHBondContact O-CD 3.4Å; R307-R373 PolarHBondContact O-NH1 3.16Å; V310-R373 HydrophobicContact CG1-CG 3.95Å; C365-R373 VanDerWaalsContact O-CD 3.23Å; C365-R373 WeakPolarHBondContact O-CD 3.47Å; T367-R373 PolarHBondContact O-NE 2.98Å; T367-R373 PolarHBondContact O-NH2 2.91Å; K368-R373 PolarHBondContact O-NH2 3.26Å; D369-R373 PolarHBondContact O-N 3.13Å; H370-R373 PolarHBondContact O-N 3.43Å
374P98Very high97.2Very high16 Ų1656.6 Ų56.610%0.10427%0.274CS..PPolyproline II helixtrans-66.6150.2-175.528.3-36.9000112.3R364 Q378 L379R364-P374 HydrophobicContact CB-CG 4.17Å; R364-P374 VanDerWaalsContact O-CD 3.31Å; R364-P374 WeakPolarHBondContact O-CD 3.32Å; P374-Q378 VanDerWaalsContact CA-OE1 3.26Å; P374-Q378 HydrophobicContact CB-CB 3.83Å; P374-L379 HydrophobicContact CB-CD2 4.15Å; P374-L379 HydrophobicContact CB-CG 4.29Å; P374-L379 HydrophobicContact CG-CD2 3.51Å; P374-L379 HydrophobicContact CG-CG 4.06Å
375K97.9Very high97.2Very high98 Ų9851.2 Ų51.243%0.42625%0.253SS..PPolyproline II helixtrans-83.5169.1165.7-67.7-175.7175.8-175.20110.8I306 R307 A377 Q378 L379I306-K375 HydrophobicContact CD1-CB 3.93Å; I306-K375 HydrophobicContact CD1-CD 4.14Å; I306-K375 HydrophobicContact CD1-CG 3.93Å; I306-K375 HydrophobicContact CG1-CG 4.38Å; R307-K375 HydrophobicContact CG-CG 3.96Å; K375-A377 VanDerWaalsContact C-N 3.35Å; K375-A377 PolarHBondContact O-N 2.75Å; K375-Q378 WeakPolarHBondContact O-CB 3.36Å; K375-Q378 PolarHBondContact O-N 3.46Å; K375-L379 PolarHBondContact O-N 2.57Å; K375-L379 VanDerWaalsContact O-N 3.09Å
376Y98.1Very high97.2Very high3 Ų354.5 Ų54.51%0.01227%0.273CS..Hα-helixtrans-54.4-44.9-176.3-52.2-45.6000113.9L235 H236 K239 I306 D309 V310 Q378 L379 M380L235-Y376 HydrophobicContact CB-CD1 4.19Å; L235-Y376 HydrophobicContact CB-CD2 4.42Å; L235-Y376 HydrophobicContact CB-CE1 3.73Å; L235-Y376 HydrophobicContact CB-CE2 3.94Å; L235-Y376 HydrophobicContact CD1-CE1 3.91Å; L235-Y376 HydrophobicContact CG-CE1 4.39Å; L235-Y376 WeakPolarHBondContact O-CE2 3.47Å; H236-Y376 HydrophobicContact CB-CD2 4.3Å; H236-Y376 HydrophobicContact CB-CG 4.38Å; K239-Y376 HydrophobicContact CB-CD2 4.25Å; K239-Y376 HydrophobicContact CB-CE2 3.97Å; I306-Y376 HydrophobicContact CB-CD2 4.39Å; I306-Y376 HydrophobicContact CB-CE1 4.45Å; I306-Y376 HydrophobicContact CB-CE2 3.57Å; I306-Y376 WeakPolarHBondContact CB-OH 3.12Å; I306-Y376 HydrophobicContact CD1-CD2 3.65Å; I306-Y376 HydrophobicContact CD1-CE2 3.7Å; I306-Y376 HydrophobicContact CD1-CG 4.23Å; I306-Y376 HydrophobicContact CG1-CE2 4.24Å; I306-Y376 HydrophobicContact CG2-CE2 3.64Å; I306-Y376 PolarHBondContact O-OH 3.44Å; D309-Y376 WeakPolarHBondContact CB-OH 3.47Å; V310-Y376 HydrophobicContact CG2-CD1 3.8Å; V310-Y376 HydrophobicContact CG2-CE1 3.58Å; Y376-Q378 PolarHBondContact O-N 2.78Å; Y376-L379 WeakPolarHBondContact O-CB 3.27Å; Y376-L379 PolarHBondContact O-N 3.2Å; Y376-M380 WeakPolarHBondContact O-CG 3.42Å; Y376-M380 PolarHBondContact O-N 2.87Å
377A97.8Very high97.2Very high49 Ų4956.7 Ų56.741%0.40529%0.292SS..Hα-helixtrans-60.6-29.5178.500000113.5K375 K381K375-A377 VanDerWaalsContact C-N 3.35Å; K375-A377 PolarHBondContact O-N 2.75Å; A377-K381 WeakPolarHBondContact O-CG 3.25Å
378Q98.1Very high97.2Very high121 Ų12156.6 Ų56.657%0.56529%0.287SS*.Hα-helixtrans-77.7-38.7173.7-69169.7-4500111.3P374 K375 Y376 M380 K381 H382P374-Q378 VanDerWaalsContact CA-OE1 3.26Å; P374-Q378 HydrophobicContact CB-CB 3.83Å; K375-Q378 WeakPolarHBondContact O-CB 3.36Å; K375-Q378 PolarHBondContact O-N 3.46Å; Y376-Q378 PolarHBondContact O-N 2.78Å; Q378-M380 VanDerWaalsContact C-N 3.31Å; Q378-M380 PolarHBondContact O-N 2.83Å; Q378-K381 PolarHBondContact O-N 3.24Å; Q378-K381 VanDerWaalsContact O-N 3.17Å; Q378-H382 PolarHBondContact O-N 3.31Å
379L98.4Very high97.3Very high2 Ų257.6 Ų57.61%0.0129%0.293CS..Hα-helixtrans-61.5-38.7174.1-68.4177.8000112.2V232 V310 F361 P374 K375 Y376 K381 H382 F385V232-L379 HydrophobicContact CG1-CB 4.22Å; V232-L379 HydrophobicContact CG2-CD1 4.43Å; V310-L379 HydrophobicContact CB-CD1 4.46Å; V310-L379 HydrophobicContact CG1-CD1 3.85Å; V310-L379 HydrophobicContact CG2-CD1 3.86Å; F361-L379 HydrophobicContact CD2-CD2 4.49Å; F361-L379 HydrophobicContact CE2-CB 4.11Å; F361-L379 HydrophobicContact CE2-CD2 3.87Å; F361-L379 HydrophobicContact CZ-CB 4.22Å; F361-L379 HydrophobicContact CZ-CD1 4.4Å; F361-L379 HydrophobicContact CZ-CD2 3.93Å; F361-L379 HydrophobicContact CZ-CG 4.42Å; P374-L379 HydrophobicContact CB-CD2 4.15Å; P374-L379 HydrophobicContact CB-CG 4.29Å; P374-L379 HydrophobicContact CG-CD2 3.51Å; P374-L379 HydrophobicContact CG-CG 4.06Å; K375-L379 PolarHBondContact O-N 2.57Å; K375-L379 VanDerWaalsContact O-N 3.09Å; Y376-L379 WeakPolarHBondContact O-CB 3.27Å; Y376-L379 PolarHBondContact O-N 3.2Å; L379-K381 PolarHBondContact O-N 2.98Å; L379-H382 WeakPolarHBondContact O-CB 3.44Å; L379-H382 PolarHBondContact O-N 2.82Å; L379-F385 WeakPolarHBondContact O-CB 3.46Å
380M98.4Very high97.4Very high35 Ų3559.6 Ų59.617%0.17231%0.307CS..THydrogen-bonded Turntrans-65.2-22.7176.9-68.9-178.3170.900113.5V232 K233 H236 Y376 Q378 H382 F385V232-M380 HydrophobicContact CG1-CE 3.86Å; V232-M380 HydrophobicContact CG1-CG 3.75Å; V232-M380 WeakPolarHBondContact O-CE 3.33Å; K233-M380 HydrophobicContact CB-CE 4.27Å; K233-M380 HydrophobicContact CG-CE 3.81Å; H236-M380 HydrophobicContact CB-CE 3.28Å; H236-M380 HydrophobicContact CB-SD 4.35Å; Y376-M380 WeakPolarHBondContact O-CG 3.42Å; Y376-M380 PolarHBondContact O-N 2.87Å; Q378-M380 VanDerWaalsContact C-N 3.31Å; Q378-M380 PolarHBondContact O-N 2.83Å; M380-H382 VanDerWaalsContact C-N 3.34Å; M380-F385 HydrophobicContact CB-CD1 4.24Å; M380-F385 HydrophobicContact CB-CE1 4Å; M380-F385 HydrophobicContact CB-CZ 4.14Å; M380-F385 HydrophobicContact CG-CD2 4.45Å; M380-F385 HydrophobicContact CG-CE1 4.07Å; M380-F385 HydrophobicContact CG-CE2 3.89Å; M380-F385 HydrophobicContact CG-CZ 3.68Å; M380-F385 WeakPolarHBondContact O-CD1 3.26Å
381K98.4Very high97.5Very high168 Ų16859.3 Ų59.373%0.7331%0.312SS*.THydrogen-bonded Turntrans-87.3-6.5174.5-66.2174.9-176.9-176.20112.8A377 Q378 L379A377-K381 WeakPolarHBondContact O-CG 3.25Å; Q378-K381 PolarHBondContact O-N 3.24Å; Q378-K381 VanDerWaalsContact O-N 3.17Å; L379-K381 PolarHBondContact O-N 2.98Å
382H98.6Very high97.6Very high8 Ų859.4 Ų59.44%0.03732%0.324CS..SBendtrans-68.8137.7-177.8-169.3-84.7000110.8L357 D360 F361 R364 Q378 L379 M380 F384 F385 V386L357-H382 PolarHBondContact O-CE1 3.17Å; D360-H382 IonicContact OD2-CE1 3.6Å; D360-H382 IonicContact OD2-NE2 2.89Å; D360-H382 PolarHBondContact OD2-NE2 3.36Å; F361-H382 HydrophobicContact CD2-CB 3.86Å; F361-H382 AromaticContact CD2-CG 3.62Å; F361-H382 AromaticContact CD2-ND1 3.54Å; F361-H382 HydrophobicContact CE2-CB 4.12Å; R364-H382 PolarHBondContact NE-NE2 2.83Å; Q378-H382 PolarHBondContact O-N 3.31Å; L379-H382 WeakPolarHBondContact O-CB 3.44Å; L379-H382 PolarHBondContact O-N 2.82Å; M380-H382 VanDerWaalsContact C-N 3.34Å; H382-F384 VanDerWaalsContact C-N 3.26Å; H382-F384 VanDerWaalsContact ND1-CB 3.32Å; H382-F384 WeakPolarHBondContact ND1-CB 3.15Å; H382-F384 PolarHBondContact ND1-N 2.89Å; H382-F384 VanDerWaalsContact ND1-N 3.12Å; H382-F384 PolarHBondContact O-N 3.19Å; H382-F384 VanDerWaalsContact O-N 3.15Å; H382-F385 WeakPolarHBondContact O-CB 2.94Å; H382-F385 PolarHBondContact O-N 2.81Å; H382-V386 PolarHBondContact O-N 2.89Å
383P98.3Very high97.5Very high71 Ų7154.5 Ų54.546%0.46130%0.304SS..Hα-helixtrans-55.3-37-177.3-27.834.6000114.4L357 V386 A387L357-P383 HydrophobicContact CD1-CB 4.28Å; L357-P383 HydrophobicContact CD2-CB 3.97Å; P383-V386 PolarHBondContact O-N 2.66Å; P383-A387 VanDerWaalsContact O-CB 3.29Å; P383-A387 WeakPolarHBondContact O-CB 3.32Å; P383-A387 PolarHBondContact O-N 3.04Å
384F98.6Very high97.4Very high1 Ų159 Ų590%0.00433%0.328CS..Hα-helixtrans-57.1-47.6172.1-177.2-105.4000113E221 T228 L357 F358 F361 H382 Y388E221-F384 HydrophobicContact CG-CE2 4.05Å; E221-F384 HydrophobicContact CG-CZ 4.42Å; T228-F384 HydrophobicContact CG2-CD1 4.44Å; T228-F384 HydrophobicContact CG2-CE1 4.16Å; L357-F384 HydrophobicContact CB-CB 4.05Å; L357-F384 HydrophobicContact CB-CD2 4.21Å; F358-F384 HydrophobicContact CB-CD2 3.84Å; F358-F384 HydrophobicContact CB-CE2 3.52Å; F358-F384 HydrophobicContact CB-CZ 4.15Å; F358-F384 HydrophobicContact CD2-CD1 4.43Å; F358-F384 HydrophobicContact CD2-CD2 4.34Å; F358-F384 AromaticContact CD2-CE1 3.75Å; F358-F384 HydrophobicContact CD2-CE1 3.75Å; F358-F384 AromaticContact CD2-CE2 3.64Å; F358-F384 HydrophobicContact CD2-CE2 3.64Å; F358-F384 AromaticContact CD2-CZ 3.31Å; F358-F384 HydrophobicContact CD2-CZ 3.31Å; F358-F384 HydrophobicContact CE2-CE1 4.33Å; F358-F384 HydrophobicContact CE2-CZ 4.04Å; F358-F384 AromaticContact CG-CE2 3.9Å; F358-F384 HydrophobicContact CG-CE2 3.9Å; F358-F384 HydrophobicContact CG-CZ 4.03Å; F361-F384 HydrophobicContact CB-CB 3.99Å; F361-F384 HydrophobicContact CB-CD1 3.96Å; F361-F384 HydrophobicContact CB-CG 4.12Å; F361-F384 HydrophobicContact CD1-CD1 4.19Å; F361-F384 HydrophobicContact CD2-CB 4.15Å; F361-F384 AromaticContact CD2-CD1 3.96Å; F361-F384 HydrophobicContact CD2-CD1 3.96Å; F361-F384 HydrophobicContact CG-CB 4.32Å; F361-F384 AromaticContact CG-CD1 3.76Å; F361-F384 HydrophobicContact CG-CD1 3.76Å; F361-F384 HydrophobicContact CG-CG 4.36Å; H382-F384 VanDerWaalsContact C-N 3.26Å; H382-F384 VanDerWaalsContact ND1-CB 3.32Å; H382-F384 WeakPolarHBondContact ND1-CB 3.15Å; H382-F384 PolarHBondContact ND1-N 2.89Å; H382-F384 VanDerWaalsContact ND1-N 3.12Å; H382-F384 PolarHBondContact O-N 3.19Å; H382-F384 VanDerWaalsContact O-N 3.15Å; F384-Y388 AromaticContact CD2-CD2 3.97Å; F384-Y388 HydrophobicContact CD2-CD2 3.97Å; F384-Y388 AromaticContact CD2-CE2 3.84Å; F384-Y388 HydrophobicContact CD2-CE2 3.84Å; F384-Y388 HydrophobicContact CE1-CD2 4.42Å; F384-Y388 AromaticContact CE2-CD2 3.65Å; F384-Y388 HydrophobicContact CE2-CD2 3.65Å; F384-Y388 AromaticContact CE2-CE2 3.32Å; F384-Y388 HydrophobicContact CE2-CE2 3.32Å; F384-Y388 HydrophobicContact CG-CD2 4.48Å; F384-Y388 AromaticContact CZ-CD2 3.9Å; F384-Y388 HydrophobicContact CZ-CD2 3.9Å; F384-Y388 AromaticContact CZ-CE2 3.87Å; F384-Y388 HydrophobicContact CZ-CE2 3.87Å; F384-Y388 WeakPolarHBondContact O-CD2 3.43Å; F384-Y388 PolarHBondContact O-N 3.18Å
385F98.6Very high97.3Very high2 Ų258.7 Ų58.71%0.00933%0.326CS..Hα-helixtrans-63.6-49.4178.9178.9-78.6000110.4V229 V232 K233 F361 L379 M380 H382 A387 Y388 E389V229-F385 HydrophobicContact CB-CE2 4.19Å; V229-F385 HydrophobicContact CG1-CE2 4.21Å; V229-F385 HydrophobicContact CG1-CZ 4.07Å; V229-F385 HydrophobicContact CG2-CD2 4.06Å; V229-F385 HydrophobicContact CG2-CE2 4.13Å; V229-F385 HydrophobicContact CG2-CG 4.34Å; V229-F385 HydrophobicContact CG2-CZ 4.44Å; V232-F385 HydrophobicContact CB-CD2 4.3Å; V232-F385 HydrophobicContact CB-CE2 3.91Å; V232-F385 HydrophobicContact CG1-CD2 4.27Å; V232-F385 HydrophobicContact CG1-CE2 3.89Å; K233-F385 HydrophobicContact CD-CZ 4.49Å; K233-F385 HydrophobicContact CG-CE2 4.49Å; K233-F385 HydrophobicContact CG-CZ 4.03Å; F361-F385 HydrophobicContact CE2-CB 4.34Å; L379-F385 WeakPolarHBondContact O-CB 3.46Å; M380-F385 HydrophobicContact CB-CD1 4.24Å; M380-F385 HydrophobicContact CB-CE1 4Å; M380-F385 HydrophobicContact CB-CZ 4.14Å; M380-F385 HydrophobicContact CG-CD2 4.45Å; M380-F385 HydrophobicContact CG-CE1 4.07Å; M380-F385 HydrophobicContact CG-CE2 3.89Å; M380-F385 HydrophobicContact CG-CZ 3.68Å; M380-F385 WeakPolarHBondContact O-CD1 3.26Å; H382-F385 WeakPolarHBondContact O-CB 2.94Å; H382-F385 PolarHBondContact O-N 2.81Å; F385-A387 VanDerWaalsContact C-N 3.31Å; F385-A387 PolarHBondContact O-N 3.49Å; F385-Y388 PolarHBondContact O-N 3.2Å; F385-E389 HydrophobicContact CE1-CB 4.32Å; F385-E389 WeakPolarHBondContact O-CB 3.33Å; F385-E389 PolarHBondContact O-N 3.11Å
386V98.4Very high97.1Very high70 Ų7055 Ų5542%0.42431%0.312SS..Hα-helixtrans-59.8-42.6-178176.50000111H382 P383 Y388 E389H382-V386 PolarHBondContact O-N 2.89Å; P383-V386 PolarHBondContact O-N 2.66Å; V386-Y388 PolarHBondContact O-N 2.73Å; V386-E389 PolarHBondContact O-N 3.38Å
387A97.8Very high96.9Very high47 Ų4758.1 Ų58.139%0.38833%0.331SS..Hα-helixtrans-59.2-44.7177.800000112.3P383 F385 A391P383-A387 VanDerWaalsContact O-CB 3.29Å; P383-A387 WeakPolarHBondContact O-CB 3.32Å; P383-A387 PolarHBondContact O-N 3.04Å; F385-A387 VanDerWaalsContact C-N 3.31Å; F385-A387 PolarHBondContact O-N 3.49Å; A387-A391 VanDerWaalsContact O-CB 3.31Å; A387-A391 WeakPolarHBondContact O-CB 3.37Å; A387-A391 PolarHBondContact O-N 3.31Å; A387-A391 VanDerWaalsContact O-N 3.1Å
388Y98.1Very high96.8Very high38 Ų3857.3 Ų57.315%0.14932%0.318CS..Hα-helixtrans-84.7-13.8-178.2-78.4-74.1000114.5A222 G225 K226 F384 F385 V386 T390 A391 V393A222-Y388 WeakPolarHBondContact CA-OH 3.49Å; A222-Y388 HydrophobicContact CB-CE1 4.16Å; G225-Y388 VanDerWaalsContact CA-CG 3.46Å; K226-Y388 HydrophobicContact CD-CD1 4.41Å; K226-Y388 VanDerWaalsContact CD-O 3.26Å; K226-Y388 WeakPolarHBondContact CD-O 3.09Å; K226-Y388 WeakPolarHBondContact CE-O 3.44Å; K226-Y388 PolarHBondContact NZ-O 3.15Å; F384-Y388 AromaticContact CD2-CD2 3.97Å; F384-Y388 HydrophobicContact CD2-CD2 3.97Å; F384-Y388 AromaticContact CD2-CE2 3.84Å; F384-Y388 HydrophobicContact CD2-CE2 3.84Å; F384-Y388 HydrophobicContact CE1-CD2 4.42Å; F384-Y388 AromaticContact CE2-CD2 3.65Å; F384-Y388 HydrophobicContact CE2-CD2 3.65Å; F384-Y388 AromaticContact CE2-CE2 3.32Å; F384-Y388 HydrophobicContact CE2-CE2 3.32Å; F384-Y388 HydrophobicContact CG-CD2 4.48Å; F384-Y388 AromaticContact CZ-CD2 3.9Å; F384-Y388 HydrophobicContact CZ-CD2 3.9Å; F384-Y388 AromaticContact CZ-CE2 3.87Å; F384-Y388 HydrophobicContact CZ-CE2 3.87Å; F384-Y388 WeakPolarHBondContact O-CD2 3.43Å; F384-Y388 PolarHBondContact O-N 3.18Å; F385-Y388 PolarHBondContact O-N 3.2Å; V386-Y388 PolarHBondContact O-N 2.73Å; Y388-T390 VanDerWaalsContact C-N 3.33Å; Y388-A391 HydrophobicContact CD1-CB 3.97Å; Y388-V393 HydrophobicContact CD1-CG2 4.36Å; Y388-V393 HydrophobicContact CE1-CG2 4.31Å
389E96.9Very high96.6Very high81 Ų8151.5 Ų51.538%0.37929%0.291SS..Hα-helixtrans-61.5-45.8171.1-176.5164-138.400110.3K226 V229 K233 F385 V386K226-E389 PolarHBondContact NZ-O 2.83Å; V229-E389 HydrophobicContact CG2-CB 4.46Å; K233-E389 WeakPolarHBondContact CE-OE1 3.48Å; K233-E389 IonicContact NZ-OE1 2.75Å; K233-E389 PolarHBondContact NZ-OE1 3.38Å; F385-E389 HydrophobicContact CE1-CB 4.32Å; F385-E389 WeakPolarHBondContact O-CB 3.33Å; F385-E389 PolarHBondContact O-N 3.11Å; V386-E389 PolarHBondContact O-N 3.38Å
390T94.7Very high96.4Very high117 Ų11757.8 Ų57.872%0.71831%0.314SS*.Hα-helixtrans-93.6-1618057.60000114.1Y388 T392Y388-T390 VanDerWaalsContact C-N 3.33Å; T390-T392 PolarHBondContact O-N 3.47Å
391A96Very high96.1Very high30 Ų3061.8 Ų61.825%0.24834%0.336CS..  trans-63.2134.2-179.900000112.6K226 A387 Y388 V393K226-A391 PolarHBondContact NZ-O 3.33Å; A387-A391 VanDerWaalsContact O-CB 3.31Å; A387-A391 WeakPolarHBondContact O-CB 3.37Å; A387-A391 PolarHBondContact O-N 3.31Å; A387-A391 VanDerWaalsContact O-N 3.1Å; Y388-A391 HydrophobicContact CD1-CB 3.97Å; A391-V393 HydrophobicContact CB-CG2 4.23Å; A391-V393 PolarHBondContact O-N 3.26Å
392T94.8Very high95.7Very high146 Ų14655 Ų5590%0.89631%0.309SS*.  trans-83.8108169.252.50000109.5T390T390-T392 PolarHBondContact O-N 3.47Å
393V95.1Very high95.2Very high39 Ų3955.9 Ų55.924%0.23631%0.314CS..  trans-129.4121.9177.8179.70000108.2A222 I223 K226 Y388 A391 I395A222-V393 HydrophobicContact CB-CG1 4.11Å; A222-V393 HydrophobicContact CB-CG2 4.27Å; I223-V393 HydrophobicContact CD1-CG1 3.76Å; K226-V393 HydrophobicContact CD-CB 4.19Å; K226-V393 HydrophobicContact CD-CG2 4.15Å; K226-V393 HydrophobicContact CG-CB 3.75Å; K226-V393 HydrophobicContact CG-CG1 4.28Å; K226-V393 HydrophobicContact CG-CG2 4.01Å; Y388-V393 HydrophobicContact CD1-CG2 4.36Å; Y388-V393 HydrophobicContact CE1-CG2 4.31Å; A391-V393 HydrophobicContact CB-CG2 4.23Å; A391-V393 PolarHBondContact O-N 3.26Å; V393-I395 HydrophobicContact CG1-CG1 4.31Å; V393-I395 PolarHBondContact O-N 3.43Å; V393-I395 VanDerWaalsContact O-N 3.12Å
394D94.8Very high94.3Very high97 Ų9756.4 Ų56.452%0.51932%0.316SS..  trans-85.286.1-178.4-164.5-25.3000111.6S396 V397 W398D394-S396 VanDerWaalsContact C-N 3.3Å; D394-S396 WeakPolarHBondContact OD1-CB 3.39Å; D394-S396 PolarHBondContact OD1-N 3.26Å; D394-S396 VanDerWaalsContact OD1-N 3.17Å; D394-V397 HydrophobicContact CB-CB 4.28Å; D394-V397 HydrophobicContact CB-CG2 4.48Å; D394-V397 VanDerWaalsContact CG-CG2 3.42Å; D394-V397 PolarHBondContact OD1-N 3.47Å; D394-V397 WeakPolarHBondContact OD2-CG2 3.37Å; D394-W398 PolarHBondContact O-N 3.08Å
395I95.3Very high92.8Very high10 Ų1060.7 Ų60.75%0.05134%0.344CS..Hα-helixtrans-69.3-31.8178.7-53.2179000110.9I223 K226 L256 I262 V393 W398 L399I223-I395 HydrophobicContact CD1-CG1 4.34Å; I223-I395 HydrophobicContact CG2-CG1 4.31Å; I223-I395 HydrophobicContact CG2-CG2 4.12Å; K226-I395 HydrophobicContact CB-CD1 3.48Å; K226-I395 VanDerWaalsContact CB-CD1 3.48Å; K226-I395 HydrophobicContact CB-CG1 4.48Å; K226-I395 HydrophobicContact CG-CD1 3.88Å; K226-I395 HydrophobicContact CG-CG1 4.46Å; L256-I395 HydrophobicContact CD2-CG2 4.07Å; I262-I395 HydrophobicContact CD1-CD1 3.37Å; I262-I395 HydrophobicContact CG1-CD1 4.45Å; V393-I395 HydrophobicContact CG1-CG1 4.31Å; V393-I395 PolarHBondContact O-N 3.43Å; V393-I395 VanDerWaalsContact O-N 3.12Å; I395-W398 HydrophobicContact CG2-CE3 4.36Å; I395-W398 PolarHBondContact O-N 2.93Å; I395-L399 WeakPolarHBondContact O-CB 3.45Å; I395-L399 PolarHBondContact O-N 3.43Å
396S94.4Very high90.7Very high20 Ų2068.5 Ų68.514%0.1439%0.385CS..Hα-helixtrans-62.9-50.5179.1164.20000110.8W258 D394 L399 R400W258-S396 PolarHBondContact O-OG 3.42Å; W258-S396 VanDerWaalsContact O-OG 3.09Å; D394-S396 VanDerWaalsContact C-N 3.3Å; D394-S396 WeakPolarHBondContact OD1-CB 3.39Å; D394-S396 PolarHBondContact OD1-N 3.26Å; D394-S396 VanDerWaalsContact OD1-N 3.17Å; S396-L399 PolarHBondContact O-N 3.45Å; S396-R400 VanDerWaalsContact O-CG 3.32Å; S396-R400 WeakPolarHBondContact O-CG 3.42Å; S396-R400 PolarHBondContact O-N 3.18Å; S396-R400 PolarHBondContact OG-NE 2.96Å
397V94.4Very high87.9Confident68 Ų6872.6 Ų72.641%0.41240%0.404SS..Hα-helixtrans-62.7-46.1178169.50000110.7D394 L399 R400 N401D394-V397 HydrophobicContact CB-CB 4.28Å; D394-V397 HydrophobicContact CB-CG2 4.48Å; D394-V397 VanDerWaalsContact CG-CG2 3.42Å; D394-V397 PolarHBondContact OD1-N 3.47Å; D394-V397 WeakPolarHBondContact OD2-CG2 3.37Å; V397-L399 VanDerWaalsContact C-N 3.34Å; V397-L399 PolarHBondContact O-N 2.69Å; V397-R400 PolarHBondContact O-N 2.94Å; V397-N401 PolarHBondContact O-N 3.37Å; V397-N401 PolarHBondContact O-ND2 3.18Å
398W95.1Very high85.1Confident32 Ų3280.5 Ų80.512%0.12142%0.424CS..Hα-helixtrans-57.4-47.5175.9174.178.3000111.9L211 L215 I219 I223 M227 D394 I395 R400 N401 V402L211-W398 HydrophobicContact CD2-CH2 3.53Å; L211-W398 HydrophobicContact CD2-CZ3 3.75Å; L211-W398 HydrophobicContact CG-CH2 4.33Å; L215-W398 HydrophobicContact CD1-CH2 4.33Å; L215-W398 HydrophobicContact CD1-CZ2 4.02Å; I219-W398 HydrophobicContact CD1-CH2 4.28Å; I219-W398 HydrophobicContact CG1-CH2 4.24Å; I219-W398 HydrophobicContact CG1-CZ2 4.4Å; I219-W398 HydrophobicContact CG2-CH2 3.86Å; I219-W398 HydrophobicContact CG2-CZ2 3.93Å; I223-W398 HydrophobicContact CD1-CB 3.91Å; I223-W398 HydrophobicContact CD1-CD2 3.87Å; I223-W398 HydrophobicContact CD1-CE3 4.13Å; I223-W398 HydrophobicContact CD1-CG 3.76Å; I223-W398 HydrophobicContact CG1-CD2 3.79Å; I223-W398 HydrophobicContact CG1-CE3 4.07Å; I223-W398 HydrophobicContact CG1-CG 4.07Å; I223-W398 HydrophobicContact CG1-CZ2 4.39Å; I223-W398 HydrophobicContact CG1-CZ3 4.46Å; I223-W398 HydrophobicContact CG2-CD2 4.47Å; I223-W398 HydrophobicContact CG2-CE3 3.89Å; I223-W398 HydrophobicContact CG2-CH2 4.26Å; I223-W398 HydrophobicContact CG2-CZ3 3.77Å; M227-W398 HydrophobicContact CE-CH2 4.45Å; M227-W398 HydrophobicContact CE-CZ3 4.35Å; D394-W398 PolarHBondContact O-N 3.08Å; I395-W398 HydrophobicContact CG2-CE3 4.36Å; I395-W398 PolarHBondContact O-N 2.93Å; W398-R400 PolarHBondContact O-N 3.41Å; W398-N401 PolarHBondContact O-N 2.93Å; W398-V402 WeakPolarHBondContact O-CG1 3.49Å; W398-V402 WeakPolarHBondContact O-CG2 3.49Å; W398-V402 PolarHBondContact O-N 3.07Å; W398-V402 VanDerWaalsContact O-N 3.12Å
399L94.3Very high82.2Confident0 Ų087 Ų870%046%0.462CS..Hα-helixtrans-63.1-42.8-178.7-17266000111.9L211 L256 D257 W258 I395 S396 V397 N401 V402 L403L211-L399 HydrophobicContact CD1-CD1 4.26Å; L211-L399 HydrophobicContact CD2-CD1 4.24Å; L256-L399 HydrophobicContact CB-CD2 4.29Å; D257-L399 WeakPolarHBondContact O-CD2 3.43Å; W258-L399 HydrophobicContact CE3-CD2 3.98Å; W258-L399 HydrophobicContact CE3-CG 4.12Å; W258-L399 HydrophobicContact CZ3-CD2 4.32Å; W258-L399 HydrophobicContact CZ3-CG 4.01Å; I395-L399 WeakPolarHBondContact O-CB 3.45Å; I395-L399 PolarHBondContact O-N 3.43Å; S396-L399 PolarHBondContact O-N 3.45Å; V397-L399 VanDerWaalsContact C-N 3.34Å; V397-L399 PolarHBondContact O-N 2.69Å; L399-N401 VanDerWaalsContact C-N 3.34Å; L399-N401 PolarHBondContact O-N 3.09Å; L399-V402 HydrophobicContact CD1-CG2 4.34Å; L399-V402 WeakPolarHBondContact O-CG2 3.42Å; L399-V402 PolarHBondContact O-N 3.33Å; L399-L403 HydrophobicContact CD1-CD1 3.6Å; L399-L403 HydrophobicContact CD1-CG 3.91Å; L399-L403 HydrophobicContact CD2-CD1 4.48Å; L399-L403 HydrophobicContact CG-CD1 3.88Å; L399-L403 HydrophobicContact CG-CG 4.33Å; L399-L403 WeakPolarHBondContact O-CB 3.43Å; L399-L403 PolarHBondContact O-N 3.43Å
400R92.9Very high79.4Confident134 Ų13489.7 Ų89.751%0.50648%0.483SS..Hα-helixtrans-60-43.9174.7-71.5176.6-165.5-142.52.6111.6W258 S396 V397 W398 V402 T404W258-R400 HydrophobicContact CE3-CG 3.9Å; W258-R400 HydrophobicContact CZ3-CG 3.98Å; S396-R400 VanDerWaalsContact O-CG 3.32Å; S396-R400 WeakPolarHBondContact O-CG 3.42Å; S396-R400 PolarHBondContact O-N 3.18Å; S396-R400 PolarHBondContact OG-NE 2.96Å; V397-R400 PolarHBondContact O-N 2.94Å; W398-R400 PolarHBondContact O-N 3.41Å; R400-V402 VanDerWaalsContact C-N 3.32Å; R400-V402 PolarHBondContact O-N 3.3Å; R400-T404 VanDerWaalsContact O-CB 3.26Å; R400-T404 WeakPolarHBondContact O-CB 3.49Å; R400-T404 PolarHBondContact O-N 3.08Å; R400-T404 PolarHBondContact O-OG1 3.46Å
401N91.7Very high76.5Confident118 Ų11888.2 Ų88.263%0.63149%0.491SS*.Hα-helixtrans-64.8-35-179.7-69.2-17.7000112.7V397 W398 L399V397-N401 PolarHBondContact O-N 3.37Å; V397-N401 PolarHBondContact O-ND2 3.18Å; W398-N401 PolarHBondContact O-N 2.93Å; L399-N401 VanDerWaalsContact C-N 3.34Å; L399-N401 PolarHBondContact O-N 3.09Å
402V90.9Very high73.6Confident25 Ų2590.1 Ų90.115%0.15251%0.513CS..Hα-helixtrans-88.1-24.6-177.9-58.40000114.2L211 R214 L215 W398 L399 R400L211-V402 HydrophobicContact CD1-CG2 4Å; R214-V402 PolarHBondContact NE-O 3.4Å; L215-V402 HydrophobicContact CD2-CB 3.65Å; L215-V402 HydrophobicContact CD2-CG1 3.72Å; L215-V402 HydrophobicContact CD2-CG2 4.32Å; W398-V402 WeakPolarHBondContact O-CG1 3.49Å; W398-V402 WeakPolarHBondContact O-CG2 3.49Å; W398-V402 PolarHBondContact O-N 3.07Å; W398-V402 VanDerWaalsContact O-N 3.12Å; L399-V402 HydrophobicContact CD1-CG2 4.34Å; L399-V402 WeakPolarHBondContact O-CG2 3.42Å; L399-V402 PolarHBondContact O-N 3.33Å; R400-V402 VanDerWaalsContact C-N 3.32Å; R400-V402 PolarHBondContact O-N 3.3Å
403L87.2Confident70.9Confident27 Ų2789.2 Ų89.214%0.14151%0.507CS..Hα-helixtrans-98.4-19.8-179.2-68.2-169.9000114.1T205 T206 L211 R214 W258 L399T205-L403 HydrophobicContact CG2-CD1 3.91Å; T206-L403 HydrophobicContact CG2-CD1 4.27Å; L211-L403 HydrophobicContact CD1-CD2 3.84Å; L211-L403 HydrophobicContact CD1-CG 4.4Å; R214-L403 VanDerWaalsContact CD-CD2 3.42Å; R214-L403 PolarHBondContact NH2-O 3.48Å; W258-L403 HydrophobicContact CH2-CB 3.52Å; W258-L403 HydrophobicContact CH2-CD1 3.67Å; W258-L403 HydrophobicContact CH2-CG 4.21Å; W258-L403 HydrophobicContact CZ2-CD1 4.25Å; W258-L403 HydrophobicContact CZ3-CB 3.98Å; W258-L403 HydrophobicContact CZ3-CD1 4.01Å; W258-L403 HydrophobicContact CZ3-CG 4.49Å; L399-L403 HydrophobicContact CD1-CD1 3.6Å; L399-L403 HydrophobicContact CD1-CG 3.91Å; L399-L403 HydrophobicContact CD2-CD1 4.48Å; L399-L403 HydrophobicContact CG-CD1 3.88Å; L399-L403 HydrophobicContact CG-CG 4.33Å; L399-L403 WeakPolarHBondContact O-CB 3.43Å; L399-L403 PolarHBondContact O-N 3.43Å
404T81.2Confident68.1Low83 Ų8398.3 Ų98.351%0.50954%0.537SS..SBendtrans-66.3129.7173.7-55.50000109.2R400 L406R400-T404 VanDerWaalsContact O-CB 3.26Å; R400-T404 WeakPolarHBondContact O-CB 3.49Å; R400-T404 PolarHBondContact O-N 3.08Å; R400-T404 PolarHBondContact O-OG1 3.46Å; T404-L406 PolarHBondContact O-N 2.85Å
405P66.4Low65.3Low91 Ų9198.7 Ų98.759%0.59155%0.554SS**  trans-56.6128.9172.3-20.931.8000110N407P405-N407 PolarHBondContact O-N 3.44Å
406L54.1Low62.6Low165 Ų165103.7 Ų103.786%0.86459%0.589SS**  trans-6783.7169-80.6156.9000108.7T404 R408T404-L406 PolarHBondContact O-N 2.85Å; L406-R408 PolarHBondContact O-N 3.48Å
407N39.5Very low60.2Low156 Ų156114.6 Ų114.683%0.83465%0.645SS**  trans-74.873.6161.9-86.4-2.7000108.4P405P405-N407 PolarHBondContact O-N 3.44Å
408R39.3Very low58.5Low213 Ų213117 Ų11780%0.80466%0.657SS**  trans-150.469.5168.4-71.1-164.4179178.1-0.7111.4L406 V410L406-R408 PolarHBondContact O-N 3.48Å; R408-V410 VanDerWaalsContact C-N 3.3Å
409D37.6Very low56.6Low176 Ų176121.4 Ų121.494%0.94169%0.685SS**  trans-86.182.6139.8-85.6-34000107.1
410V37.3Very low54.5Low137 Ų137128.2 Ų128.283%0.8372%0.723SS**  trans-134.191160.7-174.70000105.6R408R408-V410 VanDerWaalsContact C-N 3.3Å
411G33.7Very low52.3Low85 Ų85127.8 Ų127.888%0.87674%0.736SS**  trans148.495.1169.500000115.5
412G34.7Very low49.8Very low70 Ų70128.4 Ų128.472%0.72274%0.742SS**  trans145.1124.7164.200000110.1
413V39.9Very low47.1Very low127 Ų127135.3 Ų135.377%0.7778%0.782SS**  cis-166.1139.626166.80000108
414R36Very low44.2Very low231 Ų231143.1 Ų143.187%0.87283%0.828SS**  trans64.5109.6156.1-75.2169.8165172.5-6.4120.9
415A35.9Very low41.3Very low104 Ų104147.7 Ų147.786%0.8685%0.852SS**  trans-61.6131.6141.500000109.6
416S39.2Very low39.3Very low115 Ų115152.4 Ų152.480%0.80487%0.874SS**  trans-98.9112.2167.151.50000108.8
417L44Very low37.9Very low250 Ų250151.3 Ų151.3100%1.30988%0.875SS**  trans-153.90142.1-96.7172.3000107.3

Retrieved 417 of 417 residues in 606.6 ms (Link to these results)

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