A0A3Q0KC75_SCHMA Loading...

Serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A3Q0KC75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 833 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
1M50.9Low64.1Low165 Ų16593.3 Ų93.381%0.81344%0.438SS*.  0-450-70.5-156.417200113R3 N4 Y7M1-R3 PolarHBondContact O-N 2.96Å; M1-N4 PolarHBondContact O-N 3.1Å; M1-Y7 HydrophobicContact CB-CD1 3.86Å; M1-Y7 HydrophobicContact CB-CE1 3.86Å; M1-Y7 HydrophobicContact CG-CE1 4.26Å; M1-Y7 HydrophobicContact SD-CD1 4.13Å; M1-Y7 HydrophobicContact SD-CE1 3.44Å; M1-Y7 WeakPolarHBondContact SD-CE1 3.43Å; M1-Y7 HydrophobicContact SD-CE2 4.18Å; M1-Y7 VanDerWaalsContact SD-CZ 3.54Å
2L53.8Low64.7Low53 Ų5387.5 Ų87.528%0.27741%0.411SS..THydrogen-bonded Turntrans-53.1-19.4176.1-76.2164.5000116.3N4 I8 E64 Y67L2-N4 VanDerWaalsContact C-N 3.31Å; L2-I8 WeakPolarHBondContact O-CD1 3.37Å; L2-E64 HydrophobicContact CD1-CB 3.76Å; L2-E64 HydrophobicContact CD1-CG 3.52Å; L2-Y67 HydrophobicContact CD1-CD1 4.48Å; L2-Y67 HydrophobicContact CD2-CD1 3.59Å; L2-Y67 HydrophobicContact CD2-CD2 3.73Å; L2-Y67 HydrophobicContact CD2-CE1 4.07Å; L2-Y67 HydrophobicContact CD2-CE2 4.2Å; L2-Y67 HydrophobicContact CD2-CG 3.42Å; L2-Y67 VanDerWaalsContact CD2-CG 3.42Å; L2-Y67 HydrophobicContact CG-CD1 4.12Å; L2-Y67 HydrophobicContact CG-CE1 4.38Å; L2-Y67 HydrophobicContact CG-CG 4.43Å
3R60.1Low65.4Low249 Ų24986.8 Ų86.894%0.9440%0.402SS*.THydrogen-bonded Turntrans-80-8.1175.9-64.2-173.5-177.5-177.80.5114.1M1M1-R3 PolarHBondContact O-N 2.96Å
4N63.6Low66.1Low79 Ų7987.4 Ų87.442%0.42240%0.399SS..  trans-103.9108.8-178.6-170.9-19.4000110.5M1 L2 T6 Y7 I8M1-N4 PolarHBondContact O-N 3.1Å; L2-N4 VanDerWaalsContact C-N 3.31Å; N4-T6 VanDerWaalsContact C-N 3.27Å; N4-T6 PolarHBondContact O-N 3.12Å; N4-T6 PolarHBondContact OD1-N 3.26Å; N4-T6 VanDerWaalsContact OD1-N 3.17Å; N4-T6 PolarHBondContact OD1-OG1 3.44Å; N4-Y7 PolarHBondContact O-N 2.8Å; N4-Y7 VanDerWaalsContact O-N 3.12Å; N4-I8 PolarHBondContact O-N 3.44Å
5P64.1Low66.9Low87 Ų8781.6 Ų81.657%0.56537%0.373SS*.Hα-helixtrans-55.1-42.1-179-22.631.7000112.5Y7 I8 D9P5-Y7 PolarHBondContact O-N 3.46Å; P5-I8 PolarHBondContact O-N 3.12Å; P5-D9 VanDerWaalsContact O-CG 3.24Å; P5-D9 PolarHBondContact O-N 2.9Å
6T66.7Low67.3Low67 Ų6777.2 Ų77.241%0.41135%0.352SS..Hα-helixtrans-62.4-21.8-177.567.50000114N4 R10N4-T6 VanDerWaalsContact C-N 3.27Å; N4-T6 PolarHBondContact O-N 3.12Å; N4-T6 PolarHBondContact OD1-N 3.26Å; N4-T6 VanDerWaalsContact OD1-N 3.17Å; N4-T6 PolarHBondContact OD1-OG1 3.44Å; T6-R10 WeakPolarHBondContact O-CG 3.49Å; T6-R10 PolarHBondContact O-NE 3Å
7Y66.1Low67.7Low75 Ų7572.7 Ų72.729%0.29433%0.332SS..Hα-helixtrans-84.5-39.8176.7-170.8-112.4000111.5M1 N4 P5 D9 R10 V11 Y67M1-Y7 HydrophobicContact CB-CD1 3.86Å; M1-Y7 HydrophobicContact CB-CE1 3.86Å; M1-Y7 HydrophobicContact CG-CE1 4.26Å; M1-Y7 HydrophobicContact SD-CD1 4.13Å; M1-Y7 HydrophobicContact SD-CE1 3.44Å; M1-Y7 WeakPolarHBondContact SD-CE1 3.43Å; M1-Y7 HydrophobicContact SD-CE2 4.18Å; M1-Y7 VanDerWaalsContact SD-CZ 3.54Å; N4-Y7 PolarHBondContact O-N 2.8Å; N4-Y7 VanDerWaalsContact O-N 3.12Å; P5-Y7 PolarHBondContact O-N 3.46Å; Y7-D9 VanDerWaalsContact C-N 3.35Å; Y7-R10 PolarHBondContact O-N 3.44Å; Y7-V11 HydrophobicContact CD1-CG2 4.5Å; Y7-V11 HydrophobicContact CE1-CG2 4.3Å; Y7-V11 WeakPolarHBondContact O-CG2 3.43Å; Y7-V11 PolarHBondContact O-N 3.5Å; Y7-Y67 WeakPolarHBondContact CD1-OH 3.31Å; Y7-Y67 WeakPolarHBondContact CE1-OH 3.43Å
8I65.8Low68.2Low37 Ų3768.7 Ų68.719%0.1931%0.314CS..Hα-helixtrans-60.2-47.4173.6-64.9174.2000109.5L2 N4 P5 R10 V11 E12 Y67L2-I8 WeakPolarHBondContact O-CD1 3.37Å; N4-I8 PolarHBondContact O-N 3.44Å; P5-I8 PolarHBondContact O-N 3.12Å; I8-R10 PolarHBondContact O-N 3.37Å; I8-V11 PolarHBondContact O-N 3.34Å; I8-E12 HydrophobicContact CG2-CG 4.26Å; I8-E12 WeakPolarHBondContact CG2-OE1 3.3Å; I8-E12 WeakPolarHBondContact O-CG 3.37Å; I8-E12 PolarHBondContact O-N 2.98Å; I8-Y67 HydrophobicContact CG1-CE2 4.48Å
9D69.7Low68.5Low45 Ų4565.1 Ų65.124%0.24130%0.297CS..Hα-helixtrans-58-36.1178.3-58.9-16.5000112.6P5 Y7 R13 I89P5-D9 VanDerWaalsContact O-CG 3.24Å; P5-D9 PolarHBondContact O-N 2.9Å; Y7-D9 VanDerWaalsContact C-N 3.35Å; D9-R13 VanDerWaalsContact O-CB 3.29Å; D9-R13 WeakPolarHBondContact O-CB 3.43Å; D9-R13 VanDerWaalsContact O-CG 3.32Å; D9-R13 WeakPolarHBondContact O-CG 3.44Å; D9-R13 PolarHBondContact O-N 3.23Å; D9-R13 PolarHBondContact O-NE 3Å; D9-R13 VanDerWaalsContact O-NE 3.14Å; D9-I89 HydrophobicContact CB-CD1 3.86Å; D9-I89 HydrophobicContact CB-CG1 4.28Å
10R71.4Confident68.8Low157 Ų15764 Ų6459%0.59229%0.293SS*.Hα-helixtrans-70.1-40.9176.7-83.4-173.6-113.3-174-7.7111.8T6 Y7 I8 R14T6-R10 WeakPolarHBondContact O-CG 3.49Å; T6-R10 PolarHBondContact O-NE 3Å; Y7-R10 PolarHBondContact O-N 3.44Å; I8-R10 PolarHBondContact O-N 3.37Å; R10-R14 WeakPolarHBondContact O-CB 3.31Å; R10-R14 PolarHBondContact O-N 3.01Å
11V72.4Confident69Low12 Ų1261.6 Ų61.67%0.07328%0.284CS..Hα-helixtrans-67.3-44.1178.9169.10000110.6Y7 I8 R14 L15 Y67 I70 L71 I74Y7-V11 HydrophobicContact CD1-CG2 4.5Å; Y7-V11 HydrophobicContact CE1-CG2 4.3Å; Y7-V11 WeakPolarHBondContact O-CG2 3.43Å; Y7-V11 PolarHBondContact O-N 3.5Å; I8-V11 PolarHBondContact O-N 3.34Å; V11-R14 PolarHBondContact O-N 3.28Å; V11-L15 PolarHBondContact O-N 3.46Å; V11-Y67 HydrophobicContact CB-CE2 4.22Å; V11-Y67 HydrophobicContact CG1-CE2 3.91Å; V11-Y67 HydrophobicContact CG2-CE2 4.22Å; V11-I70 HydrophobicContact CG1-CG2 3.56Å; V11-L71 HydrophobicContact CG1-CD2 4.15Å; V11-L71 HydrophobicContact CG2-CD2 4.13Å; V11-I74 HydrophobicContact CB-CD1 4.45Å; V11-I74 HydrophobicContact CG1-CD1 3.59Å; V11-I74 WeakPolarHBondContact O-CD1 3.45Å
12E71.9Confident69.9Low24 Ų2453.8 Ų53.811%0.11225%0.245CC..Hα-helixtrans-63.1-47.1176-72.7178.7-177.900112I8 R14 L15 K16 I62 I89 I90I8-E12 HydrophobicContact CG2-CG 4.26Å; I8-E12 WeakPolarHBondContact CG2-OE1 3.3Å; I8-E12 WeakPolarHBondContact O-CG 3.37Å; I8-E12 PolarHBondContact O-N 2.98Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.13Å; E12-L15 PolarHBondContact O-N 3.04Å; E12-K16 WeakPolarHBondContact O-CB 3.39Å; E12-K16 PolarHBondContact O-N 3.13Å; E12-I62 HydrophobicContact CG-CD1 3.73Å; E12-I62 WeakPolarHBondContact OE1-CD1 3.34Å; E12-I89 HydrophobicContact CB-CG2 4.29Å; E12-I89 WeakPolarHBondContact OE2-CG2 3.4Å; E12-I90 HydrophobicContact CB-CB 4.32Å; E12-I90 HydrophobicContact CB-CD1 4.37Å; E12-I90 HydrophobicContact CB-CG1 4.25Å; E12-I90 WeakPolarHBondContact O-CD1 3.45Å
13R73.7Confident70.7Confident79 Ų7953.5 Ų53.530%0.29824%0.244SC..Hα-helixtrans-55.4-43.4173.3-85.7-178.4-90.4173.1-13.4112.1D9 K16 S17 M86 E88 I89D9-R13 VanDerWaalsContact O-CB 3.29Å; D9-R13 WeakPolarHBondContact O-CB 3.43Å; D9-R13 VanDerWaalsContact O-CG 3.32Å; D9-R13 WeakPolarHBondContact O-CG 3.44Å; D9-R13 PolarHBondContact O-N 3.23Å; D9-R13 PolarHBondContact O-NE 3Å; D9-R13 VanDerWaalsContact O-NE 3.14Å; R13-K16 PolarHBondContact O-N 3.37Å; R13-S17 VanDerWaalsContact O-CB 3.25Å; R13-S17 WeakPolarHBondContact O-CB 3.35Å; R13-S17 PolarHBondContact O-N 2.67Å; R13-M86 WeakPolarHBondContact CD-O 3.49Å; R13-E88 VanDerWaalsContact CG-O 3.28Å; R13-E88 WeakPolarHBondContact CG-O 3.45Å; R13-I89 HydrophobicContact CG-CG1 4.2Å
14R75.8Confident71.2Confident94 Ų9446.7 Ų46.736%0.35523%0.23SC..Hα-helixtrans-66.4-42.4179.3-170.3169.7-171.7171.53.8112.2R10 V11 E12 S17 Y18 I74 P83R10-R14 WeakPolarHBondContact O-CB 3.31Å; R10-R14 PolarHBondContact O-N 3.01Å; V11-R14 PolarHBondContact O-N 3.28Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.13Å; R14-S17 WeakPolarHBondContact O-CB 3.36Å; R14-S17 PolarHBondContact O-N 2.98Å; R14-Y18 HydrophobicContact CG-CD2 4.2Å; R14-Y18 HydrophobicContact CG-CE2 3.63Å; R14-Y18 PolarHBondContact NE-OH 3.38Å; R14-Y18 VanDerWaalsContact NE-OH 3.15Å; R14-Y18 PolarHBondContact NH2-OH 2.91Å; R14-Y18 WeakPolarHBondContact O-CD2 3.29Å; R14-Y18 PolarHBondContact O-N 3.08Å; R14-Y18 VanDerWaalsContact O-N 3.15Å; R14-I74 HydrophobicContact CB-CD1 4.38Å; R14-I74 HydrophobicContact CG-CG2 4.27Å; R14-P83 HydrophobicContact CG-CB 4.01Å; R14-P83 HydrophobicContact CG-CG 4.06Å
15L76.8Confident71.3Confident1 Ų143.4 Ų43.41%0.00522%0.215CC..Hα-helixtrans-64.7-47.1174.9-178.960.3000111.5V11 E12 S17 Y18 L19 I70 I73 I74 L96V11-L15 PolarHBondContact O-N 3.46Å; E12-L15 PolarHBondContact O-N 3.04Å; L15-S17 VanDerWaalsContact C-N 3.26Å; L15-S17 PolarHBondContact O-N 3.29Å; L15-Y18 PolarHBondContact O-N 3.17Å; L15-Y18 VanDerWaalsContact O-N 3.16Å; L15-L19 HydrophobicContact CD1-CD1 4.25Å; L15-L19 HydrophobicContact CD1-CG 4.16Å; L15-L19 HydrophobicContact CG-CD1 3.97Å; L15-L19 HydrophobicContact CG-CG 4.32Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.46Å; L15-I70 HydrophobicContact CB-CG2 4.41Å; L15-I70 HydrophobicContact CD2-CB 4.28Å; L15-I70 HydrophobicContact CD2-CD1 4.2Å; L15-I70 HydrophobicContact CD2-CG1 3.77Å; L15-I70 HydrophobicContact CD2-CG2 3.77Å; L15-I73 HydrophobicContact CD1-CB 4.49Å; L15-I73 HydrophobicContact CD1-CG2 3.68Å; L15-I74 HydrophobicContact CB-CD1 4.13Å; L15-I74 HydrophobicContact CB-CG1 4.17Å; L15-I74 HydrophobicContact CD1-CG1 4.36Å; L15-L96 HydrophobicContact CD2-CD1 3.41Å; L15-L96 VanDerWaalsContact CD2-CD1 3.41Å; L15-L96 HydrophobicContact CD2-CD2 3.83Å; L15-L96 HydrophobicContact CD2-CG 4.29Å; L15-L96 HydrophobicContact CG-CD1 4.02Å
16K74.7Confident71.6Confident11 Ų1143.8 Ų43.85%0.04821%0.212CC..Hα-helixtrans-53.6-47176.1-170175.8-174.4-178.90110.6E12 R13 Y18 L19 L20 M86 E88 I90E12-K16 WeakPolarHBondContact O-CB 3.39Å; E12-K16 PolarHBondContact O-N 3.13Å; R13-K16 PolarHBondContact O-N 3.37Å; K16-Y18 PolarHBondContact O-N 3.06Å; K16-L19 PolarHBondContact O-N 3.09Å; K16-L20 HydrophobicContact CG-CD1 3.82Å; K16-L20 VanDerWaalsContact O-CD1 3.3Å; K16-L20 WeakPolarHBondContact O-CD1 3.49Å; K16-L20 PolarHBondContact O-N 3.39Å; K16-M86 HydrophobicContact CD-CE 4.34Å; K16-E88 IonicContact NZ-OE2 2.71Å; K16-E88 PolarHBondContact NZ-OE2 2.99Å; K16-I90 HydrophobicContact CB-CD1 4Å; K16-I90 HydrophobicContact CB-CG1 3.72Å; K16-I90 HydrophobicContact CD-CG1 4.12Å; K16-I90 HydrophobicContact CG-CG1 4.16Å
17S74.3Confident71.6Confident1 Ų145.6 Ų45.61%0.00722%0.219CC..Hα-helixtrans-56.7-46.9177.3-175.30000113R13 R14 L15 L20 T21 I84R13-S17 VanDerWaalsContact O-CB 3.25Å; R13-S17 WeakPolarHBondContact O-CB 3.35Å; R13-S17 PolarHBondContact O-N 2.67Å; R14-S17 WeakPolarHBondContact O-CB 3.36Å; R14-S17 PolarHBondContact O-N 2.98Å; L15-S17 VanDerWaalsContact C-N 3.26Å; L15-S17 PolarHBondContact O-N 3.29Å; S17-L20 PolarHBondContact O-N 2.95Å; S17-T21 PolarHBondContact O-N 3.34Å; S17-T21 PolarHBondContact O-OG1 3.24Å; S17-I84 WeakPolarHBondContact CB-O 3.29Å; S17-I84 WeakPolarHBondContact OG-CA 3.49Å; S17-I84 WeakPolarHBondContact OG-CB 3.39Å; S17-I84 PolarHBondContact OG-N 3.47Å; S17-I84 PolarHBondContact OG-O 3.32Å
18Y75.3Confident71.8Confident0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-67.1-41.9175.8-67.7-49.9000113.3R14 L15 K16 T21 V22 I74 F77 S78 H81 P83R14-Y18 HydrophobicContact CG-CD2 4.2Å; R14-Y18 HydrophobicContact CG-CE2 3.63Å; R14-Y18 PolarHBondContact NE-OH 3.38Å; R14-Y18 VanDerWaalsContact NE-OH 3.15Å; R14-Y18 PolarHBondContact NH2-OH 2.91Å; R14-Y18 WeakPolarHBondContact O-CD2 3.29Å; R14-Y18 PolarHBondContact O-N 3.08Å; R14-Y18 VanDerWaalsContact O-N 3.15Å; L15-Y18 PolarHBondContact O-N 3.17Å; L15-Y18 VanDerWaalsContact O-N 3.16Å; K16-Y18 PolarHBondContact O-N 3.06Å; Y18-T21 WeakPolarHBondContact O-CB 3.44Å; Y18-T21 PolarHBondContact O-N 2.93Å; Y18-V22 WeakPolarHBondContact O-CG2 3.17Å; Y18-V22 PolarHBondContact O-N 3.06Å; Y18-V22 VanDerWaalsContact O-N 3.09Å; Y18-I74 HydrophobicContact CD2-CG1 4.36Å; Y18-I74 HydrophobicContact CE2-CB 4.37Å; Y18-I74 HydrophobicContact CE2-CG1 4.36Å; Y18-I74 HydrophobicContact CE2-CG2 4.09Å; Y18-F77 HydrophobicContact CD1-CB 3.68Å; Y18-F77 HydrophobicContact CD1-CG 4.22Å; Y18-F77 HydrophobicContact CD2-CB 3.52Å; Y18-F77 HydrophobicContact CD2-CD2 4.12Å; Y18-F77 HydrophobicContact CD2-CG 4.04Å; Y18-F77 HydrophobicContact CE1-CB 3.93Å; Y18-F77 HydrophobicContact CE2-CB 3.72Å; Y18-F77 HydrophobicContact CG-CB 3.48Å; Y18-F77 VanDerWaalsContact CG-CB 3.48Å; Y18-F77 HydrophobicContact CG-CD1 4.34Å; Y18-F77 HydrophobicContact CG-CD2 4.08Å; Y18-F77 AromaticContact CG-CG 3.76Å; Y18-F77 HydrophobicContact CG-CG 3.76Å; Y18-S78 VanDerWaalsContact OH-CA 3.27Å; Y18-S78 WeakPolarHBondContact OH-CA 3.37Å; Y18-S78 WeakPolarHBondContact OH-CB 3.47Å; Y18-H81 WeakPolarHBondContact CE1-O 3.49Å; Y18-P83 HydrophobicContact CE1-CB 4.1Å
19L75.3Confident71.9Confident0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-61.9-45176.7-66.2174.9000110.6L15 K16 T21 V22 L23 L43 L96 I100 C103L15-L19 HydrophobicContact CD1-CD1 4.25Å; L15-L19 HydrophobicContact CD1-CG 4.16Å; L15-L19 HydrophobicContact CG-CD1 3.97Å; L15-L19 HydrophobicContact CG-CG 4.32Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.46Å; K16-L19 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact C-N 3.28Å; L19-T21 PolarHBondContact O-N 3.23Å; L19-V22 WeakPolarHBondContact O-CB 3.33Å; L19-V22 PolarHBondContact O-N 3.04Å; L19-V22 VanDerWaalsContact O-N 3.13Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.26Å; L19-L23 VanDerWaalsContact O-N 3.08Å; L19-L43 HydrophobicContact CD2-CD2 4.2Å; L19-L96 HydrophobicContact CD1-CD1 3.52Å; L19-I100 HydrophobicContact CD1-CG1 4.04Å; L19-I100 HydrophobicContact CD2-CG1 4.3Å; L19-C103 HydrophobicContact CD2-CB 4.32Å; L19-C103 VanDerWaalsContact CD2-SG 3.58Å; L19-C103 PolarHBondContact O-SG 2.89Å
20L73.1Confident71.8Confident43 Ų4342.9 Ų42.923%0.22521%0.21CC..Hα-helixtrans-59.7-39.5173.6-97.980000111.9K16 S17 V22 L23 T24 M86 Y99K16-L20 HydrophobicContact CG-CD1 3.82Å; K16-L20 VanDerWaalsContact O-CD1 3.3Å; K16-L20 WeakPolarHBondContact O-CD1 3.49Å; K16-L20 PolarHBondContact O-N 3.39Å; S17-L20 PolarHBondContact O-N 2.95Å; L20-V22 VanDerWaalsContact C-N 3.26Å; L20-V22 PolarHBondContact O-N 2.99Å; L20-L23 WeakPolarHBondContact O-CA 3.33Å; L20-L23 WeakPolarHBondContact O-CB 3.47Å; L20-L23 PolarHBondContact O-N 2.89Å; L20-T24 WeakPolarHBondContact O-CG2 3.32Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 PolarHBondContact O-OG1 2.83Å; L20-M86 HydrophobicContact CD2-CE 4.38Å; L20-Y99 HydrophobicContact CD1-CD1 4Å; L20-Y99 HydrophobicContact CD1-CE1 3.52Å
21T73.3Confident71.7Confident15 Ų1541.1 Ų41.19%0.09221%0.206CC..Hα-helixtrans-61.8-34.9177.6-520000111.7S17 Y18 L19 G25 Y29S17-T21 PolarHBondContact O-N 3.34Å; S17-T21 PolarHBondContact O-OG1 3.24Å; Y18-T21 WeakPolarHBondContact O-CB 3.44Å; Y18-T21 PolarHBondContact O-N 2.93Å; L19-T21 VanDerWaalsContact C-N 3.28Å; L19-T21 PolarHBondContact O-N 3.23Å; T21-G25 WeakPolarHBondContact O-CA 3.34Å; T21-G25 PolarHBondContact O-N 2.88Å; T21-Y29 HydrophobicContact CG2-CE1 4.08Å; T21-Y29 HydrophobicContact CG2-CE2 4.11Å
22V71.1Confident71.6Confident1 Ų147.5 Ų47.51%0.00623%0.229CC..Hα-helixtrans-66.6-41.1171.41790000111.6Y18 L19 L20 Y29 L30 L33 F77 C103 L107Y18-V22 WeakPolarHBondContact O-CG2 3.17Å; Y18-V22 PolarHBondContact O-N 3.06Å; Y18-V22 VanDerWaalsContact O-N 3.09Å; L19-V22 WeakPolarHBondContact O-CB 3.33Å; L19-V22 PolarHBondContact O-N 3.04Å; L19-V22 VanDerWaalsContact O-N 3.13Å; L20-V22 VanDerWaalsContact C-N 3.26Å; L20-V22 PolarHBondContact O-N 2.99Å; V22-Y29 HydrophobicContact CB-CE1 4.49Å; V22-Y29 HydrophobicContact CG2-CE1 4.08Å; V22-L30 HydrophobicContact CG1-CD2 4.04Å; V22-L33 HydrophobicContact CG1-CD1 4.48Å; V22-L33 HydrophobicContact CG2-CD1 3.95Å; V22-F77 HydrophobicContact CG2-CE1 3.59Å; V22-F77 HydrophobicContact CG2-CZ 3.87Å; V22-C103 HydrophobicContact CB-CB 4.49Å; V22-C103 HydrophobicContact CG1-CB 4.07Å; V22-L107 HydrophobicContact CG1-CD2 4.32Å; V22-L107 HydrophobicContact CG1-CG 4.31Å
23L69.6Low71.4Confident46 Ų4646.4 Ų46.424%0.24122%0.224CC..Hα-helixtrans-70.1-41.7-178.3-64.9175000112.8L19 L20 Y99 L102L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.26Å; L19-L23 VanDerWaalsContact O-N 3.08Å; L20-L23 WeakPolarHBondContact O-CA 3.33Å; L20-L23 WeakPolarHBondContact O-CB 3.47Å; L20-L23 PolarHBondContact O-N 2.89Å; L23-Y99 HydrophobicContact CD1-CD1 3.86Å; L23-Y99 HydrophobicContact CD1-CE1 4.34Å; L23-L102 HydrophobicContact CD1-CB 4.21Å; L23-L102 VanDerWaalsContact CD2-C 3.4Å; L23-L102 HydrophobicContact CD2-CB 3.62Å; L23-L102 WeakPolarHBondContact CD2-O 3.3Å
24T70.9Confident71Confident106 Ų10643.8 Ų43.865%0.6522%0.218SC*.Hα-helixtrans-88.5-9.9179.563.50000112.9L20L20-T24 WeakPolarHBondContact O-CG2 3.32Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 PolarHBondContact O-OG1 2.83Å
25G65.8Low70.7Confident11 Ų1144.1 Ų44.111%0.11323%0.23CC..  trans-63.8143.6-178.200000112.7T21T21-G25 WeakPolarHBondContact O-CA 3.34Å; T21-G25 PolarHBondContact O-N 2.88Å
26D69.3Low70.3Confident94 Ų9445.8 Ų45.850%0.50324%0.238SC..  trans-70.7168.717161.77.8000111.8D28 Y29 L30D26-D28 PolarHBondContact O-N 3.47Å; D26-Y29 WeakPolarHBondContact O-CB 3.33Å; D26-Y29 PolarHBondContact O-N 3.28Å; D26-Y29 VanDerWaalsContact O-N 3.15Å; D26-Y29 WeakPolarHBondContact OD1-CB 3.47Å; D26-Y29 PolarHBondContact OD1-N 2.88Å; D26-L30 PolarHBondContact O-N 3.38Å
27D67.9Low70.1Confident105 Ų10547.8 Ų47.856%0.56125%0.252SS*.Hα-helixtrans-62.6-27.4-178.3-72.8-22.1000112.3L30 K31D27-L30 PolarHBondContact O-N 3.35Å; D27-K31 WeakPolarHBondContact O-CG 3.26Å; D27-K31 PolarHBondContact O-N 3.41Å
28D69.3Low70.3Confident88 Ų8852.4 Ų52.447%0.47128%0.276SS..Hα-helixtrans-74.1-33176.8-74.8-16.3000112.7D26 K31 R32D26-D28 PolarHBondContact O-N 3.47Å; D28-K31 PolarHBondContact O-N 3Å; D28-K31 IonicContact OD1-NZ 2.63Å; D28-K31 PolarHBondContact OD1-NZ 2.89Å; D28-R32 WeakPolarHBondContact O-CG 3.21Å; D28-R32 PolarHBondContact O-N 3.07Å; D28-R32 PolarHBondContact O-NE 3.01Å
29Y69.4Low70.5Confident9 Ų952.4 Ų52.44%0.03528%0.276CS..Hα-helixtrans-62.2-44.6168.2-179.6-103.7000111.9T21 V22 D26 K31 R32 L33 I80T21-Y29 HydrophobicContact CG2-CE1 4.08Å; T21-Y29 HydrophobicContact CG2-CE2 4.11Å; V22-Y29 HydrophobicContact CB-CE1 4.49Å; V22-Y29 HydrophobicContact CG2-CE1 4.08Å; D26-Y29 WeakPolarHBondContact O-CB 3.33Å; D26-Y29 PolarHBondContact O-N 3.28Å; D26-Y29 VanDerWaalsContact O-N 3.15Å; D26-Y29 WeakPolarHBondContact OD1-CB 3.47Å; D26-Y29 PolarHBondContact OD1-N 2.88Å; Y29-K31 PolarHBondContact O-N 3.21Å; Y29-R32 WeakPolarHBondContact O-CB 3.5Å; Y29-R32 PolarHBondContact O-N 3.3Å; Y29-R32 VanDerWaalsContact O-N 3.17Å; Y29-L33 HydrophobicContact CD1-CD1 3.7Å; Y29-L33 HydrophobicContact CE1-CD1 3.27Å; Y29-L33 HydrophobicContact CE1-CG 4.12Å; Y29-L33 PolarHBondContact O-N 3.42Å; Y29-I80 HydrophobicContact CE2-CG2 4.33Å
30L67.6Low70.8Confident4 Ų452.4 Ų52.42%0.02128%0.276CS..Hα-helixtrans-65.2-38.3177.6-60.9171.4000112.5V22 D26 D27 R32 L33 S34 K106 L107 I110V22-L30 HydrophobicContact CG1-CD2 4.04Å; D26-L30 PolarHBondContact O-N 3.38Å; D27-L30 PolarHBondContact O-N 3.35Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-L33 HydrophobicContact CD2-CD1 4.31Å; L30-L33 WeakPolarHBondContact O-CB 3.3Å; L30-L33 PolarHBondContact O-N 2.85Å; L30-S34 PolarHBondContact O-N 3.16Å; L30-K106 HydrophobicContact CD1-CD 4.05Å; L30-K106 VanDerWaalsContact CD1-CE 3.42Å; L30-K106 HydrophobicContact CD1-CG 3.53Å; L30-K106 HydrophobicContact CD2-CG 3.74Å; L30-K106 HydrophobicContact CG-CG 4.26Å; L30-L107 HydrophobicContact CD2-CD2 4.16Å; L30-I110 HydrophobicContact CB-CD1 4.04Å; L30-I110 WeakPolarHBondContact O-CD1 3.33Å
31K68.4Low71.3Confident119 Ų11951.3 Ų51.352%0.51727%0.272SS..Hα-helixtrans-61.7-41.9172-74.1174.2-159155.70111.4D27 D28 Y29 L33 S34D27-K31 WeakPolarHBondContact O-CG 3.26Å; D27-K31 PolarHBondContact O-N 3.41Å; D28-K31 PolarHBondContact O-N 3Å; D28-K31 IonicContact OD1-NZ 2.63Å; D28-K31 PolarHBondContact OD1-NZ 2.89Å; Y29-K31 PolarHBondContact O-N 3.21Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.14Å; K31-S34 VanDerWaalsContact O-CB 3.27Å; K31-S34 WeakPolarHBondContact O-CB 3.33Å; K31-S34 PolarHBondContact O-N 3.25Å; K31-S34 PolarHBondContact O-OG 2.66Å
32R70.2Confident71.8Confident147 Ų14752.8 Ų52.856%0.55528%0.277SS*.Hα-helixtrans-61.6-42.3174.7-76.5-178.5-75.4-177.3-2.5111.4D28 Y29 L30 S34 T35D28-R32 WeakPolarHBondContact O-CG 3.21Å; D28-R32 PolarHBondContact O-N 3.07Å; D28-R32 PolarHBondContact O-NE 3.01Å; Y29-R32 WeakPolarHBondContact O-CB 3.5Å; Y29-R32 PolarHBondContact O-N 3.3Å; Y29-R32 VanDerWaalsContact O-N 3.17Å; L30-R32 VanDerWaalsContact C-N 3.34Å; R32-S34 VanDerWaalsContact C-N 3.26Å; R32-S34 PolarHBondContact O-N 3.46Å; R32-T35 PolarHBondContact O-N 2.93Å; R32-T35 PolarHBondContact O-OG1 3.37Å
33L68.7Low72.4Confident0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-58-38.6172-76163.1000111.6V22 Y29 L30 K31 T35 K36 L39 F77 I80 L107 Y113V22-L33 HydrophobicContact CG1-CD1 4.48Å; V22-L33 HydrophobicContact CG2-CD1 3.95Å; Y29-L33 HydrophobicContact CD1-CD1 3.7Å; Y29-L33 HydrophobicContact CE1-CD1 3.27Å; Y29-L33 HydrophobicContact CE1-CG 4.12Å; Y29-L33 PolarHBondContact O-N 3.42Å; L30-L33 HydrophobicContact CD2-CD1 4.31Å; L30-L33 WeakPolarHBondContact O-CB 3.3Å; L30-L33 PolarHBondContact O-N 2.85Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.14Å; L33-T35 PolarHBondContact O-N 3.03Å; L33-K36 WeakPolarHBondContact O-CA 3.2Å; L33-K36 VanDerWaalsContact O-CB 3.24Å; L33-K36 WeakPolarHBondContact O-CB 3.38Å; L33-K36 PolarHBondContact O-N 2.84Å; L33-L39 HydrophobicContact CD2-CD2 3.87Å; L33-F77 HydrophobicContact CD2-CD1 4.43Å; L33-F77 HydrophobicContact CD2-CE1 4.13Å; L33-I80 HydrophobicContact CD2-CD1 3.46Å; L33-I80 VanDerWaalsContact CD2-CD1 3.46Å; L33-L107 HydrophobicContact CD1-CD2 4.28Å; L33-Y113 PolarHBondContact O-OH 3.07Å
34S65.2Low73.2Confident24 Ų2450.7 Ų50.717%0.16827%0.266CS..Hα-helixtrans-57.6-18.6-177.885.70000115.8L30 K31 R32 K36 K112 Y113L30-S34 PolarHBondContact O-N 3.16Å; K31-S34 VanDerWaalsContact O-CB 3.27Å; K31-S34 WeakPolarHBondContact O-CB 3.33Å; K31-S34 PolarHBondContact O-N 3.25Å; K31-S34 PolarHBondContact O-OG 2.66Å; R32-S34 VanDerWaalsContact C-N 3.26Å; R32-S34 PolarHBondContact O-N 3.46Å; S34-K36 PolarHBondContact O-N 3.43Å; S34-K112 PolarHBondContact O-NZ 3.13Å; S34-Y113 VanDerWaalsContact CA-CZ 3.5Å; S34-Y113 WeakPolarHBondContact CA-OH 3.47Å; S34-Y113 PolarHBondContact N-OH 3.09Å
35T68Low73.8Confident101 Ų10147.6 Ų47.662%0.6225%0.248SC*.THydrogen-bonded Turntrans-67.9-14.6171.765.70000113R32 L33 P37R32-T35 PolarHBondContact O-N 2.93Å; R32-T35 PolarHBondContact O-OG1 3.37Å; L33-T35 PolarHBondContact O-N 3.03Å; T35-P37 VanDerWaalsContact O-CD 3.28Å; T35-P37 WeakPolarHBondContact O-CD 3.25Å
36K69.8Low74.4Confident36 Ų3647.1 Ų47.116%0.15724%0.243CC..  trans-113.987.5-173.5-75.5-143.8-165-178.90111.9L33 S34 L38 Y76 I80 Y113L33-K36 WeakPolarHBondContact O-CA 3.2Å; L33-K36 VanDerWaalsContact O-CB 3.24Å; L33-K36 WeakPolarHBondContact O-CB 3.38Å; L33-K36 PolarHBondContact O-N 2.84Å; S34-K36 PolarHBondContact O-N 3.43Å; K36-L38 VanDerWaalsContact C-N 3.31Å; K36-L38 PolarHBondContact O-N 2.83Å; K36-Y76 VanDerWaalsContact CA-OH 3.23Å; K36-Y76 WeakPolarHBondContact CA-OH 3.48Å; K36-Y76 HydrophobicContact CB-CE1 3.53Å; K36-Y76 WeakPolarHBondContact CB-OH 3.1Å; K36-Y76 HydrophobicContact CD-CD1 4.08Å; K36-Y76 HydrophobicContact CD-CE1 3.54Å; K36-Y76 HydrophobicContact CD-CE2 4.12Å; K36-Y76 HydrophobicContact CG-CE1 4.16Å; K36-Y76 PolarHBondContact NZ-O 3.38Å; K36-Y76 PolarHBondContact O-OH 3.39Å; K36-I80 HydrophobicContact CD-CD1 3.87Å; K36-I80 HydrophobicContact CD-CG1 4.27Å; K36-Y113 PolarHBondContact O-OH 3.09Å
37P69.4Low74.9Confident54 Ų5442.8 Ų42.835%0.35122%0.22SC..THydrogen-bonded Turntrans-72.6-17-170.329-36.1000114.7T35 L39 P41 I116T35-P37 VanDerWaalsContact O-CD 3.28Å; T35-P37 WeakPolarHBondContact O-CD 3.25Å; P37-L39 VanDerWaalsContact C-N 3.31Å; P37-L39 PolarHBondContact O-N 2.8Å; P37-P41 VanDerWaalsContact O-CD 3.3Å; P37-P41 WeakPolarHBondContact O-CD 3.29Å; P37-I116 HydrophobicContact CB-CD1 3.6Å
38L78.6Confident75.2Confident98 Ų9840.7 Ų40.751%0.51321%0.214SC..THydrogen-bonded Turntrans-83.2-4.4-176.4-62.2175.1000113.7K36 P41 K42 Y76K36-L38 VanDerWaalsContact C-N 3.31Å; K36-L38 PolarHBondContact O-N 2.83Å; L38-P41 WeakPolarHBondContact O-CD 3.23Å; L38-K42 WeakPolarHBondContact O-CB 3.29Å; L38-K42 VanDerWaalsContact O-CG 3.27Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.06Å; L38-Y76 HydrophobicContact CB-CE2 4.02Å; L38-Y76 PolarHBondContact N-OH 3.12Å; L38-Y76 VanDerWaalsContact N-OH 3.16Å
39L79.8Confident74.6Confident0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-61.7-53.4178.6-175.955.9000111.9L33 P37 K42 L43 Y76 F77 L107L33-L39 HydrophobicContact CD2-CD2 3.87Å; P37-L39 VanDerWaalsContact C-N 3.31Å; P37-L39 PolarHBondContact O-N 2.8Å; L39-K42 PolarHBondContact O-N 2.78Å; L39-L43 HydrophobicContact CD1-CD1 4.15Å; L39-L43 HydrophobicContact CD1-CD2 4.49Å; L39-L43 HydrophobicContact CD1-CG 4.09Å; L39-L43 HydrophobicContact CG-CD1 3.98Å; L39-L43 HydrophobicContact CG-CG 4.32Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.2Å; L39-Y76 HydrophobicContact CB-CD1 4.19Å; L39-Y76 HydrophobicContact CB-CE1 3.78Å; L39-Y76 HydrophobicContact CD1-CD1 4.11Å; L39-F77 HydrophobicContact CD1-CE1 4.23Å; L39-F77 HydrophobicContact CD1-CE2 3.9Å; L39-F77 HydrophobicContact CD1-CZ 3.68Å; L39-F77 HydrophobicContact CD2-CE1 4.29Å; L39-F77 HydrophobicContact CD2-CZ 4.27Å; L39-L107 HydrophobicContact CD2-CD1 3.93Å; L39-L107 HydrophobicContact CD2-CD2 4.43Å; L39-L107 HydrophobicContact CG-CD1 4.38Å
40I82.2Confident73.8Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-59.8-48.9-178.3-71.2-174.5000112.2K42 L43 L44 L104 L107 Y113 I116 F117I40-K42 VanDerWaalsContact C-N 3.26Å; I40-K42 PolarHBondContact O-N 3.46Å; I40-L43 PolarHBondContact O-N 2.96Å; I40-L44 HydrophobicContact CG2-CD1 3.73Å; I40-L44 HydrophobicContact CG2-CG 4.08Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 VanDerWaalsContact O-CG 3.32Å; I40-L44 WeakPolarHBondContact O-CG 3.15Å; I40-L44 PolarHBondContact O-N 3.49Å; I40-L104 HydrophobicContact CG1-CD2 4.15Å; I40-L104 HydrophobicContact CG2-CD2 4.32Å; I40-L107 HydrophobicContact CD1-CB 4.47Å; I40-L107 HydrophobicContact CG1-CD1 4.33Å; I40-Y113 HydrophobicContact CD1-CD1 3.36Å; I40-Y113 HydrophobicContact CD1-CD2 4.43Å; I40-Y113 HydrophobicContact CD1-CE1 4.2Å; I40-Y113 HydrophobicContact CD1-CG 3.49Å; I40-Y113 VanDerWaalsContact CD1-CG 3.49Å; I40-Y113 HydrophobicContact CG1-CD1 3.91Å; I40-Y113 HydrophobicContact CG1-CE1 4.29Å; I40-Y113 HydrophobicContact CG1-CG 4.39Å; I40-I116 HydrophobicContact CB-CG2 4.1Å; I40-I116 HydrophobicContact CG2-CG2 4.22Å; I40-F117 HydrophobicContact CD1-CB 4.4Å; I40-F117 HydrophobicContact CG2-CB 4.01Å; I40-F117 HydrophobicContact CG2-CD2 4.04Å
41P82.9Confident72.7Confident20 Ų2047.5 Ų47.513%0.1325%0.247CC..Hα-helixtrans-55.8-39.3175.7-27.334.5000113.4P37 L38 S45 I116 H120P37-P41 VanDerWaalsContact O-CD 3.3Å; P37-P41 WeakPolarHBondContact O-CD 3.29Å; L38-P41 WeakPolarHBondContact O-CD 3.23Å; P41-S45 WeakPolarHBondContact O-CB 3.22Å; P41-S45 PolarHBondContact O-N 3.16Å; P41-I116 HydrophobicContact CG-CG2 3.85Å; P41-H120 WeakPolarHBondContact CG-NE2 3.08Å
42K83.2Confident71.6Confident45 Ų4543.9 Ų43.920%0.19623%0.232CC..Hα-helixtrans-70.3-41177.7-72.1175.7178.4-76.70112.2L38 L39 I40 S45 L46 Q72 I73L38-K42 WeakPolarHBondContact O-CB 3.29Å; L38-K42 VanDerWaalsContact O-CG 3.27Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.06Å; L39-K42 PolarHBondContact O-N 2.78Å; I40-K42 VanDerWaalsContact C-N 3.26Å; I40-K42 PolarHBondContact O-N 3.46Å; K42-S45 PolarHBondContact O-N 2.98Å; K42-S45 PolarHBondContact O-OG 3.46Å; K42-L46 PolarHBondContact O-N 3.13Å; K42-Q72 VanDerWaalsContact NZ-OE1 3.14Å; K42-I73 HydrophobicContact CB-CD1 4.32Å; K42-I73 HydrophobicContact CB-CG1 3.73Å
43L85.3Confident70.2Confident1 Ų139.8 Ų39.81%0.00523%0.226CC..Hα-helixtrans-63.9-44.7173.9-69.4179.6000111.4L19 L39 I40 S45 L46 I47 I73 I100 L104 L107L19-L43 HydrophobicContact CD2-CD2 4.2Å; L39-L43 HydrophobicContact CD1-CD1 4.15Å; L39-L43 HydrophobicContact CD1-CD2 4.49Å; L39-L43 HydrophobicContact CD1-CG 4.09Å; L39-L43 HydrophobicContact CG-CD1 3.98Å; L39-L43 HydrophobicContact CG-CG 4.32Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.2Å; I40-L43 PolarHBondContact O-N 2.96Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.14Å; L43-L46 PolarHBondContact O-N 3.22Å; L43-I47 PolarHBondContact O-N 3.05Å; L43-I73 HydrophobicContact CD2-CD1 4.4Å; L43-I73 HydrophobicContact CD2-CG2 4.36Å; L43-I100 HydrophobicContact CB-CG2 3.82Å; L43-I100 HydrophobicContact CD2-CG1 4.24Å; L43-I100 HydrophobicContact CD2-CG2 4.05Å; L43-I100 HydrophobicContact CG-CG2 4.36Å; L43-L104 HydrophobicContact CB-CD2 4.21Å; L43-L104 HydrophobicContact CD1-CD2 4.04Å; L43-L104 HydrophobicContact CD1-CG 4.45Å; L43-L107 HydrophobicContact CD1-CD1 3.94Å
44L85.3Confident68.6Low3 Ų344.2 Ų44.22%0.01626%0.257CS..Hα-helixtrans-61.1-38.1176.4-73.7179.2000112I40 L46 I47 S48 L104 F117 H120 I125I40-L44 HydrophobicContact CG2-CD1 3.73Å; I40-L44 HydrophobicContact CG2-CG 4.08Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 VanDerWaalsContact O-CG 3.32Å; I40-L44 WeakPolarHBondContact O-CG 3.15Å; I40-L44 PolarHBondContact O-N 3.49Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 2.8Å; L44-I47 HydrophobicContact CD2-CD1 3.85Å; L44-I47 HydrophobicContact CD2-CG1 4.3Å; L44-I47 WeakPolarHBondContact O-CG1 3.23Å; L44-I47 PolarHBondContact O-N 2.95Å; L44-S48 VanDerWaalsContact O-CB 3.28Å; L44-S48 WeakPolarHBondContact O-CB 3.44Å; L44-S48 PolarHBondContact O-N 3.25Å; L44-S48 PolarHBondContact O-OG 3.26Å; L44-L104 HydrophobicContact CD2-CD1 4.01Å; L44-F117 HydrophobicContact CD1-CD2 4.04Å; L44-F117 HydrophobicContact CD1-CE2 4.43Å; L44-F117 HydrophobicContact CD2-CD2 4.11Å; L44-F117 HydrophobicContact CD2-CE2 3.73Å; L44-F117 HydrophobicContact CG-CD2 4.42Å; L44-H120 HydrophobicContact CD1-CB 3.67Å; L44-I125 HydrophobicContact CB-CD1 4.2Å; L44-I125 HydrophobicContact CD1-CD1 4.49Å; L44-I125 HydrophobicContact CD2-CD1 4.07Å; L44-I125 HydrophobicContact CG-CD1 4.49Å
45S83.1Confident67.1Low41 Ų4150.4 Ų50.429%0.28728%0.281SS..Hα-helixtrans-68.3-24.7-179.677.30000113.9P41 K42 L43 S49 K69P41-S45 WeakPolarHBondContact O-CB 3.22Å; P41-S45 PolarHBondContact O-N 3.16Å; K42-S45 PolarHBondContact O-N 2.98Å; K42-S45 PolarHBondContact O-OG 3.46Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.14Å; S45-S49 PolarHBondContact O-OG 3.04Å; S45-K69 PolarHBondContact O-NZ 3.07Å
46L78.3Confident65.5Low1 Ų150.6 Ų50.61%0.00528%0.284CS..Hα-helixtrans-76.1-38.3171.5-83.6-173.2000113K42 L43 L44 S49 N66 K69 I70 I73 I100K42-L46 PolarHBondContact O-N 3.13Å; L43-L46 PolarHBondContact O-N 3.22Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 2.8Å; L46-S49 PolarHBondContact O-OG 3.4Å; L46-N66 HydrophobicContact CD2-CB 4.43Å; L46-K69 HydrophobicContact CD2-CB 3.42Å; L46-K69 VanDerWaalsContact CD2-CB 3.42Å; L46-K69 HydrophobicContact CD2-CD 4.06Å; L46-K69 HydrophobicContact CD2-CG 4.38Å; L46-K69 HydrophobicContact CG-CB 4.06Å; L46-I70 HydrophobicContact CD1-CG1 3.81Å; L46-I70 HydrophobicContact CD2-CG1 4Å; L46-I73 HydrophobicContact CD1-CD1 3.16Å; L46-I73 HydrophobicContact CG-CD1 3.64Å; L46-I100 HydrophobicContact CB-CD1 3.88Å; L46-I100 HydrophobicContact CD1-CD1 3.66Å; L46-I100 HydrophobicContact CG-CD1 4.47Å
47I79.9Confident64Low3 Ų353.2 Ų53.22%0.01530%0.299CS..Hα-helixtrans-84.8-16.4179.564.4164.9000112.4L43 L44 K97 I100 I101 L104 I125 L126 Y129L43-I47 PolarHBondContact O-N 3.05Å; L44-I47 HydrophobicContact CD2-CD1 3.85Å; L44-I47 HydrophobicContact CD2-CG1 4.3Å; L44-I47 WeakPolarHBondContact O-CG1 3.23Å; L44-I47 PolarHBondContact O-N 2.95Å; I47-K97 HydrophobicContact CG2-CB 4.27Å; I47-K97 HydrophobicContact CG2-CG 4.14Å; I47-I100 HydrophobicContact CG2-CB 3.95Å; I47-I100 HydrophobicContact CG2-CD1 4.08Å; I47-I100 HydrophobicContact CG2-CG2 3.63Å; I47-I101 HydrophobicContact CD1-CG1 4.21Å; I47-L104 HydrophobicContact CD1-CD1 3.92Å; I47-I125 HydrophobicContact CD1-CG2 3.76Å; I47-I125 HydrophobicContact CG1-CG2 3.82Å; I47-L126 HydrophobicContact CD1-CD2 3.94Å; I47-Y129 HydrophobicContact CB-CE2 4.03Å; I47-Y129 WeakPolarHBondContact O-CE2 2.96Å; I47-Y129 PolarHBondContact O-OH 3.11Å
48S75.2Confident62.5Low61 Ų6157 Ų5743%0.42732%0.32SS..Hα-helixtrans-79.6-25.1176.1-58.30000113.4L44 E50 I125L44-S48 VanDerWaalsContact O-CB 3.28Å; L44-S48 WeakPolarHBondContact O-CB 3.44Å; L44-S48 PolarHBondContact O-N 3.25Å; L44-S48 PolarHBondContact O-OG 3.26Å; S48-E50 VanDerWaalsContact C-N 3.32Å; S48-E50 PolarHBondContact O-N 3.19Å; S48-I125 WeakPolarHBondContact OG-CD1 3.46Å; S48-I125 WeakPolarHBondContact OG-CG1 3.41Å
49S56.4Low60.8Low41 Ų4157 Ų5729%0.28733%0.325SS..SBendtrans-77.9-2-159.8490000116.5S45 L46 N66S45-S49 PolarHBondContact O-OG 3.04Å; L46-S49 PolarHBondContact O-OG 3.4Å; S49-N66 PolarHBondContact OG-OD1 3.02Å
50E52Low59.3Low62 Ų6259.5 Ų59.529%0.2934%0.338SS..  trans-140.9118.6-178.7-73.7178.3174.600112.8S48 E52 N63 N66 F93 K97S48-E50 VanDerWaalsContact C-N 3.32Å; S48-E50 PolarHBondContact O-N 3.19Å; E50-E52 PolarHBondContact O-N 2.97Å; E50-N63 PolarHBondContact OE1-ND2 2.89Å; E50-N66 PolarHBondContact OE1-ND2 3Å; E50-F93 WeakPolarHBondContact OE2-CD1 3.27Å; E50-F93 WeakPolarHBondContact OE2-CE1 3.3Å; E50-K97 IonicContact OE2-NZ 2.77Å
51H45.8Very low58.1Low141 Ų14168.3 Ų68.365%0.65338%0.377SS*.  trans-55.6101.3156-85.5-88000108.6S53H51-S53 PolarHBondContact ND1-OG 2.84Å; H51-S53 PolarHBondContact O-N 3.38Å
52E44Very low57Low42 Ų4268.5 Ų68.520%0.19638%0.376CS..THydrogen-bonded Turntrans-56.7-14.7163.9-79-173.8172.400111.7E50 S54 V132 R186E50-E52 PolarHBondContact O-N 2.97Å; E52-S54 PolarHBondContact O-N 2.99Å; E52-V132 HydrophobicContact CB-CG1 3.74Å; E52-V132 HydrophobicContact CB-CG2 4.41Å; E52-R186 IonicContact OE1-CZ 2.58Å; E52-R186 IonicContact OE1-NH1 2.94Å; E52-R186 PolarHBondContact OE1-NH1 3.43Å; E52-R186 IonicContact OE1-NH2 2.65Å; E52-R186 IonicContact OE2-CZ 3.43Å; E52-R186 IonicContact OE2-NH1 2.71Å; E52-R186 IonicContact OE2-NH2 2.8Å; E52-R186 PolarHBondContact OE2-NH2 3.47Å
53S40.5Very low56.2Low61 Ų6169.3 Ų69.343%0.42738%0.383SS..THydrogen-bonded Turntrans-81.91.6-169.661.40000116.8H51H51-S53 PolarHBondContact ND1-OG 2.84Å; H51-S53 PolarHBondContact O-N 3.38Å
54S35.3Very low55.4Low94 Ų9475.7 Ų75.766%0.65741%0.413SS*.SBendtrans-139.80.8-174.159.60000117.8E52E52-S54 PolarHBondContact O-N 2.99Å
55K33.3Very low54.7Low154 Ų15481 Ų8167%0.6744%0.438SS*.SBendtrans-127.9133.6172.9-71.2-174.3179.1179.10111.1
56P34.8Very low54.1Low104 Ų10479.1 Ų79.168%0.67542%0.424SS*.  trans-54.8144.6170.422.9-30.5000109.3V58P56-V58 PolarHBondContact O-N 3.21Å
57L38.8Very low53.7Low91 Ų9179.7 Ų79.748%0.47643%0.426SS..G310 helixtrans-50.5-6.6-178-85106.1000115.7T59 N60 I94L57-T59 PolarHBondContact O-N 2.96Å; L57-N60 PolarHBondContact O-ND2 3.01Å; L57-I94 HydrophobicContact CD2-CD1 3.43Å; L57-I94 VanDerWaalsContact CD2-CD1 3.43Å; L57-I94 HydrophobicContact CG-CD1 4.24Å
58V38.3Very low53.4Low133 Ų13384 Ų8481%0.80645%0.449SS*.G310 helixtrans-79.9-11.1-167.8-171.40000113.4P56P56-V58 PolarHBondContact O-N 3.21Å
59T42.7Very low53.4Low100 Ų10082.8 Ų82.861%0.61344%0.436SS*.G310 helixtrans-113.25017164.30000112.9L57 K61L57-T59 PolarHBondContact O-N 2.96Å; T59-K61 PolarHBondContact O-N 3.04Å
60N48.8Very low54.4Low51 Ų5180.9 Ų80.927%0.27342%0.422SS..  trans-69.724172.3-90.6-15.3000114.3L57 N92L57-N60 PolarHBondContact O-ND2 3.01Å; N60-N92 HydrophobicContact CB-CB 4.05Å
61K56.4Low55.5Low186 Ų18680 Ų8081%0.80942%0.419SS*.  trans-79.5129.8174.5-76.2-171.9177.1-179.90109.5T59 N63T59-K61 PolarHBondContact O-N 3.04Å; K61-N63 PolarHBondContact O-N 3.19Å
62I59.6Low56.9Low24 Ų2478.1 Ų78.112%0.12341%0.411CS..  trans-55.2112.2173.2-57.6-177000108.5E12 N66 I70 F93E12-I62 HydrophobicContact CG-CD1 3.73Å; E12-I62 WeakPolarHBondContact OE1-CD1 3.34Å; I62-N66 HydrophobicContact CG2-CB 3.87Å; I62-I70 HydrophobicContact CD1-CD1 3.65Å; I62-I70 HydrophobicContact CG1-CD1 4.49Å; I62-I70 HydrophobicContact CG2-CD1 3.88Å; I62-F93 HydrophobicContact CG1-CD2 4.19Å
63N66.8Low58.3Low62 Ų6276.1 Ų76.133%0.33240%0.402SS..  trans-70.4165.4175.569.135.6000110.8E50 K61 E65 N66 Y67E50-N63 PolarHBondContact OE1-ND2 2.89Å; K61-N63 PolarHBondContact O-N 3.19Å; N63-E65 PolarHBondContact O-N 3.36Å; N63-E65 PolarHBondContact OD1-N 3.33Å; N63-N66 PolarHBondContact ND2-ND2 3.35Å; N63-N66 PolarHBondContact O-N 3.38Å; N63-N66 VanDerWaalsContact OD1-CB 3.31Å; N63-N66 WeakPolarHBondContact OD1-CB 3.49Å; N63-N66 VanDerWaalsContact OD1-CG 3.23Å; N63-N66 PolarHBondContact OD1-N 3.45Å; N63-N66 PolarHBondContact OD1-ND2 3.49Å; N63-Y67 VanDerWaalsContact O-CB 3.32Å; N63-Y67 WeakPolarHBondContact O-CB 2.76Å; N63-Y67 PolarHBondContact O-N 3.42Å
64E68.1Low59.9Low135 Ų13573.5 Ų73.563%0.63138%0.383SS*.Hα-helixtrans-58.2-34.7-176.8178.9158.7-146.500113L2 Y67 L68L2-E64 HydrophobicContact CD1-CB 3.76Å; L2-E64 HydrophobicContact CD1-CG 3.52Å; E64-Y67 PolarHBondContact O-N 3Å; E64-L68 WeakPolarHBondContact O-CG 3.44Å; E64-L68 PolarHBondContact O-N 2.66Å
65E70.4Confident61.8Low115 Ų11573.6 Ų73.654%0.53738%0.376SS..Hα-helixtrans-69.4-48.6178.3-165.6-164143.600112.3N63 Y67 L68 K69N63-E65 PolarHBondContact O-N 3.36Å; N63-E65 PolarHBondContact OD1-N 3.33Å; E65-Y67 PolarHBondContact O-N 3.04Å; E65-L68 PolarHBondContact O-N 3.22Å; E65-K69 WeakPolarHBondContact O-CG 3.37Å; E65-K69 PolarHBondContact O-N 2.77Å; E65-K69 WeakPolarHBondContact OE1-CE 3.3Å; E65-K69 IonicContact OE1-NZ 3.6Å; E65-K69 PolarHBondContact OE1-NZ 3.47Å
66N70.7Confident63.4Low1 Ų167.7 Ų67.71%0.00535%0.35CS..Hα-helixtrans-62.4-37.1175.7-69.5-21.2000110.1L46 S49 E50 I62 N63 K69 I70 F93L46-N66 HydrophobicContact CD2-CB 4.43Å; S49-N66 PolarHBondContact OG-OD1 3.02Å; E50-N66 PolarHBondContact OE1-ND2 3Å; I62-N66 HydrophobicContact CG2-CB 3.87Å; N63-N66 PolarHBondContact ND2-ND2 3.35Å; N63-N66 PolarHBondContact O-N 3.38Å; N63-N66 VanDerWaalsContact OD1-CB 3.31Å; N63-N66 WeakPolarHBondContact OD1-CB 3.49Å; N63-N66 VanDerWaalsContact OD1-CG 3.23Å; N63-N66 PolarHBondContact OD1-N 3.45Å; N63-N66 PolarHBondContact OD1-ND2 3.49Å; N66-K69 WeakPolarHBondContact O-CB 3.32Å; N66-K69 PolarHBondContact O-N 2.94Å; N66-I70 WeakPolarHBondContact O-CB 3.21Å; N66-I70 VanDerWaalsContact O-CG1 3.25Å; N66-I70 WeakPolarHBondContact O-CG1 3.38Å; N66-I70 PolarHBondContact O-N 3.32Å; N66-F93 HydrophobicContact CB-CE2 4.09Å; N66-F93 HydrophobicContact CB-CZ 4.08Å; N66-F93 VanDerWaalsContact ND2-CZ 3.29Å; N66-F93 WeakPolarHBondContact ND2-CZ 3.39Å
67Y70.9Confident65Low12 Ų1262.8 Ų62.85%0.04732%0.318CS..Hα-helixtrans-62.6-45.5176-178.3-95.5000112.4L2 Y7 I8 V11 N63 E64 E65 K69 I70 L71L2-Y67 HydrophobicContact CD1-CD1 4.48Å; L2-Y67 HydrophobicContact CD2-CD1 3.59Å; L2-Y67 HydrophobicContact CD2-CD2 3.73Å; L2-Y67 HydrophobicContact CD2-CE1 4.07Å; L2-Y67 HydrophobicContact CD2-CE2 4.2Å; L2-Y67 HydrophobicContact CD2-CG 3.42Å; L2-Y67 VanDerWaalsContact CD2-CG 3.42Å; L2-Y67 HydrophobicContact CG-CD1 4.12Å; L2-Y67 HydrophobicContact CG-CE1 4.38Å; L2-Y67 HydrophobicContact CG-CG 4.43Å; Y7-Y67 WeakPolarHBondContact CD1-OH 3.31Å; Y7-Y67 WeakPolarHBondContact CE1-OH 3.43Å; I8-Y67 HydrophobicContact CG1-CE2 4.48Å; V11-Y67 HydrophobicContact CB-CE2 4.22Å; V11-Y67 HydrophobicContact CG1-CE2 3.91Å; V11-Y67 HydrophobicContact CG2-CE2 4.22Å; N63-Y67 VanDerWaalsContact O-CB 3.32Å; N63-Y67 WeakPolarHBondContact O-CB 2.76Å; N63-Y67 PolarHBondContact O-N 3.42Å; E64-Y67 PolarHBondContact O-N 3Å; E65-Y67 PolarHBondContact O-N 3.04Å; Y67-K69 VanDerWaalsContact C-N 3.33Å; Y67-K69 PolarHBondContact O-N 3.17Å; Y67-I70 WeakPolarHBondContact O-CB 3.11Å; Y67-I70 PolarHBondContact O-N 3.39Å; Y67-L71 HydrophobicContact CD1-CD1 4.05Å; Y67-L71 HydrophobicContact CD1-CG 4.38Å; Y67-L71 HydrophobicContact CE1-CD1 3.36Å; Y67-L71 HydrophobicContact CE1-CG 3.86Å; Y67-L71 PolarHBondContact O-N 3.49Å
68L73.3Confident66.2Low95 Ų9560.6 Ų60.650%0.49731%0.31SS..Hα-helixtrans-62.3-40.8175.1-72.1171.8000111.8E64 E65 I70 L71 Q72E64-L68 WeakPolarHBondContact O-CG 3.44Å; E64-L68 PolarHBondContact O-N 2.66Å; E65-L68 PolarHBondContact O-N 3.22Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 2.99Å; L68-L71 PolarHBondContact O-N 2.64Å; L68-Q72 WeakPolarHBondContact O-CG 3.42Å; L68-Q72 PolarHBondContact O-N 3.28Å
69K75.5Confident67.1Low35 Ų3560.6 Ų60.615%0.15231%0.305CS..Hα-helixtrans-61.6-41174.1-73169.3175167.40111.9S45 L46 E65 N66 Y67 Q72 I73S45-K69 PolarHBondContact O-NZ 3.07Å; L46-K69 HydrophobicContact CD2-CB 3.42Å; L46-K69 VanDerWaalsContact CD2-CB 3.42Å; L46-K69 HydrophobicContact CD2-CD 4.06Å; L46-K69 HydrophobicContact CD2-CG 4.38Å; L46-K69 HydrophobicContact CG-CB 4.06Å; E65-K69 WeakPolarHBondContact O-CG 3.37Å; E65-K69 PolarHBondContact O-N 2.77Å; E65-K69 WeakPolarHBondContact OE1-CE 3.3Å; E65-K69 IonicContact OE1-NZ 3.6Å; E65-K69 PolarHBondContact OE1-NZ 3.47Å; N66-K69 WeakPolarHBondContact O-CB 3.32Å; N66-K69 PolarHBondContact O-N 2.94Å; Y67-K69 VanDerWaalsContact C-N 3.33Å; Y67-K69 PolarHBondContact O-N 3.17Å; K69-Q72 WeakPolarHBondContact O-CB 3.47Å; K69-Q72 PolarHBondContact O-N 2.84Å; K69-I73 WeakPolarHBondContact O-CD1 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.49Å; K69-I73 PolarHBondContact O-N 3.42Å; K69-I73 VanDerWaalsContact O-N 3.08Å
70I75.7Confident67.7Low0 Ų058.2 Ų58.20%029%0.288CS..Hα-helixtrans-62.4-47.5175.6-74.7168.5000111.2V11 L15 L46 I62 N66 Y67 L68 Q72 I73 I74 L96V11-I70 HydrophobicContact CG1-CG2 3.56Å; L15-I70 HydrophobicContact CB-CG2 4.41Å; L15-I70 HydrophobicContact CD2-CB 4.28Å; L15-I70 HydrophobicContact CD2-CD1 4.2Å; L15-I70 HydrophobicContact CD2-CG1 3.77Å; L15-I70 HydrophobicContact CD2-CG2 3.77Å; L46-I70 HydrophobicContact CD1-CG1 3.81Å; L46-I70 HydrophobicContact CD2-CG1 4Å; I62-I70 HydrophobicContact CD1-CD1 3.65Å; I62-I70 HydrophobicContact CG1-CD1 4.49Å; I62-I70 HydrophobicContact CG2-CD1 3.88Å; N66-I70 WeakPolarHBondContact O-CB 3.21Å; N66-I70 VanDerWaalsContact O-CG1 3.25Å; N66-I70 WeakPolarHBondContact O-CG1 3.38Å; N66-I70 PolarHBondContact O-N 3.32Å; Y67-I70 WeakPolarHBondContact O-CB 3.11Å; Y67-I70 PolarHBondContact O-N 3.39Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 2.99Å; I70-Q72 VanDerWaalsContact C-N 3.29Å; I70-Q72 PolarHBondContact O-N 3.12Å; I70-I73 WeakPolarHBondContact O-CB 3.44Å; I70-I73 PolarHBondContact O-N 3.36Å; I70-I74 HydrophobicContact CG2-CD1 3.74Å; I70-I74 HydrophobicContact CG2-CG1 4.4Å; I70-I74 WeakPolarHBondContact O-CG1 3.39Å; I70-I74 PolarHBondContact O-N 3.18Å; I70-L96 HydrophobicContact CD1-CD2 3.75Å; I70-L96 HydrophobicContact CG1-CD2 4.3Å
71L75.8Confident68.2Low43 Ų4360.3 Ų60.323%0.22530%0.296CS..Hα-helixtrans-58.2-44176.3-74.5-178.6000111.4V11 Y67 L68 I73 I74 D75V11-L71 HydrophobicContact CG1-CD2 4.15Å; V11-L71 HydrophobicContact CG2-CD2 4.13Å; Y67-L71 HydrophobicContact CD1-CD1 4.05Å; Y67-L71 HydrophobicContact CD1-CG 4.38Å; Y67-L71 HydrophobicContact CE1-CD1 3.36Å; Y67-L71 HydrophobicContact CE1-CG 3.86Å; Y67-L71 PolarHBondContact O-N 3.49Å; L68-L71 PolarHBondContact O-N 2.64Å; L71-I73 PolarHBondContact O-N 3.28Å; L71-I74 PolarHBondContact O-N 3.43Å; L71-D75 WeakPolarHBondContact O-CB 3.35Å; L71-D75 PolarHBondContact O-N 3.41Å
72Q75.4Confident68.2Low102 Ų10258.8 Ų58.848%0.47729%0.291SS..Hα-helixtrans-61.8-29.6176.1-73.6-177.416.600113.8K42 L68 K69 I70 Y76K42-Q72 VanDerWaalsContact NZ-OE1 3.14Å; L68-Q72 WeakPolarHBondContact O-CG 3.42Å; L68-Q72 PolarHBondContact O-N 3.28Å; K69-Q72 WeakPolarHBondContact O-CB 3.47Å; K69-Q72 PolarHBondContact O-N 2.84Å; I70-Q72 VanDerWaalsContact C-N 3.29Å; I70-Q72 PolarHBondContact O-N 3.12Å; Q72-Y76 WeakPolarHBondContact O-CB 3.46Å; Q72-Y76 PolarHBondContact O-N 2.95Å
73I74Confident68Low1 Ų159.4 Ų59.41%0.00530%0.297CS..Hα-helixtrans-76.7-44.1175.2-72.1159.9000110.2L15 K42 L43 L46 K69 I70 L71 D75 Y76 F77L15-I73 HydrophobicContact CD1-CB 4.49Å; L15-I73 HydrophobicContact CD1-CG2 3.68Å; K42-I73 HydrophobicContact CB-CD1 4.32Å; K42-I73 HydrophobicContact CB-CG1 3.73Å; L43-I73 HydrophobicContact CD2-CD1 4.4Å; L43-I73 HydrophobicContact CD2-CG2 4.36Å; L46-I73 HydrophobicContact CD1-CD1 3.16Å; L46-I73 HydrophobicContact CG-CD1 3.64Å; K69-I73 WeakPolarHBondContact O-CD1 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.49Å; K69-I73 PolarHBondContact O-N 3.42Å; K69-I73 VanDerWaalsContact O-N 3.08Å; I70-I73 WeakPolarHBondContact O-CB 3.44Å; I70-I73 PolarHBondContact O-N 3.36Å; L71-I73 PolarHBondContact O-N 3.28Å; I73-D75 VanDerWaalsContact C-N 3.34Å; I73-D75 PolarHBondContact O-N 3.02Å; I73-Y76 WeakPolarHBondContact O-CA 3.17Å; I73-Y76 VanDerWaalsContact O-CB 3.3Å; I73-Y76 WeakPolarHBondContact O-CB 3.31Å; I73-Y76 PolarHBondContact O-N 2.98Å; I73-Y76 VanDerWaalsContact O-N 3.07Å; I73-F77 HydrophobicContact CG2-CD2 3.57Å; I73-F77 HydrophobicContact CG2-CE2 3.46Å; I73-F77 VanDerWaalsContact CG2-CE2 3.46Å; I73-F77 VanDerWaalsContact O-CD2 3.28Å; I73-F77 WeakPolarHBondContact O-CD2 3.41Å; I73-F77 PolarHBondContact O-N 3.49Å
74I74.2Confident67.6Low6 Ų661 Ų613%0.03131%0.305CS..Hα-helixtrans-58.7-45175.5-75.9170.4000111V11 R14 L15 Y18 I70 L71 Y76 F77 S78V11-I74 HydrophobicContact CB-CD1 4.45Å; V11-I74 HydrophobicContact CG1-CD1 3.59Å; V11-I74 WeakPolarHBondContact O-CD1 3.45Å; R14-I74 HydrophobicContact CB-CD1 4.38Å; R14-I74 HydrophobicContact CG-CG2 4.27Å; L15-I74 HydrophobicContact CB-CD1 4.13Å; L15-I74 HydrophobicContact CB-CG1 4.17Å; L15-I74 HydrophobicContact CD1-CG1 4.36Å; Y18-I74 HydrophobicContact CD2-CG1 4.36Å; Y18-I74 HydrophobicContact CE2-CB 4.37Å; Y18-I74 HydrophobicContact CE2-CG1 4.36Å; Y18-I74 HydrophobicContact CE2-CG2 4.09Å; I70-I74 HydrophobicContact CG2-CD1 3.74Å; I70-I74 HydrophobicContact CG2-CG1 4.4Å; I70-I74 WeakPolarHBondContact O-CG1 3.39Å; I70-I74 PolarHBondContact O-N 3.18Å; L71-I74 PolarHBondContact O-N 3.43Å; I74-Y76 PolarHBondContact O-N 2.76Å; I74-F77 PolarHBondContact O-N 2.94Å; I74-S78 VanDerWaalsContact O-CB 3.31Å; I74-S78 WeakPolarHBondContact O-CB 3.41Å; I74-S78 PolarHBondContact O-N 3.3Å; I74-S78 PolarHBondContact O-OG 3.03Å
75D73.4Confident67.1Low95 Ų9563.7 Ų63.751%0.50832%0.317SS..Hα-helixtrans-63.3-32176.2-72.2-19.1000111.6L71 I73 S78 L79L71-D75 WeakPolarHBondContact O-CB 3.35Å; L71-D75 PolarHBondContact O-N 3.41Å; I73-D75 VanDerWaalsContact C-N 3.34Å; I73-D75 PolarHBondContact O-N 3.02Å; D75-S78 WeakPolarHBondContact CA-OG 3.34Å; D75-S78 PolarHBondContact O-OG 3.22Å; D75-L79 WeakPolarHBondContact O-CG 3.36Å
76Y67.8Low66.5Low31 Ų3160.4 Ų60.412%0.12230%0.302CS..Hα-helixtrans-72.1-38177-157.5-105.7000112.9K36 L38 L39 Q72 I73 I74K36-Y76 VanDerWaalsContact CA-OH 3.23Å; K36-Y76 WeakPolarHBondContact CA-OH 3.48Å; K36-Y76 HydrophobicContact CB-CE1 3.53Å; K36-Y76 WeakPolarHBondContact CB-OH 3.1Å; K36-Y76 HydrophobicContact CD-CD1 4.08Å; K36-Y76 HydrophobicContact CD-CE1 3.54Å; K36-Y76 HydrophobicContact CD-CE2 4.12Å; K36-Y76 HydrophobicContact CG-CE1 4.16Å; K36-Y76 PolarHBondContact NZ-O 3.38Å; K36-Y76 PolarHBondContact O-OH 3.39Å; L38-Y76 HydrophobicContact CB-CE2 4.02Å; L38-Y76 PolarHBondContact N-OH 3.12Å; L38-Y76 VanDerWaalsContact N-OH 3.16Å; L39-Y76 HydrophobicContact CB-CD1 4.19Å; L39-Y76 HydrophobicContact CB-CE1 3.78Å; L39-Y76 HydrophobicContact CD1-CD1 4.11Å; Q72-Y76 WeakPolarHBondContact O-CB 3.46Å; Q72-Y76 PolarHBondContact O-N 2.95Å; I73-Y76 WeakPolarHBondContact O-CA 3.17Å; I73-Y76 VanDerWaalsContact O-CB 3.3Å; I73-Y76 WeakPolarHBondContact O-CB 3.31Å; I73-Y76 PolarHBondContact O-N 2.98Å; I73-Y76 VanDerWaalsContact O-N 3.07Å; I74-Y76 PolarHBondContact O-N 2.76Å
77F68.2Low65.8Low1 Ų167.8 Ų67.80%0.00434%0.342CS..Hα-helixtrans-76-36.5174.9-80.9-66000113.3Y18 V22 L33 L39 I73 I74 L79 I80 H81Y18-F77 HydrophobicContact CD1-CB 3.68Å; Y18-F77 HydrophobicContact CD1-CG 4.22Å; Y18-F77 HydrophobicContact CD2-CB 3.52Å; Y18-F77 HydrophobicContact CD2-CD2 4.12Å; Y18-F77 HydrophobicContact CD2-CG 4.04Å; Y18-F77 HydrophobicContact CE1-CB 3.93Å; Y18-F77 HydrophobicContact CE2-CB 3.72Å; Y18-F77 HydrophobicContact CG-CB 3.48Å; Y18-F77 VanDerWaalsContact CG-CB 3.48Å; Y18-F77 HydrophobicContact CG-CD1 4.34Å; Y18-F77 HydrophobicContact CG-CD2 4.08Å; Y18-F77 AromaticContact CG-CG 3.76Å; Y18-F77 HydrophobicContact CG-CG 3.76Å; V22-F77 HydrophobicContact CG2-CE1 3.59Å; V22-F77 HydrophobicContact CG2-CZ 3.87Å; L33-F77 HydrophobicContact CD2-CD1 4.43Å; L33-F77 HydrophobicContact CD2-CE1 4.13Å; L39-F77 HydrophobicContact CD1-CE1 4.23Å; L39-F77 HydrophobicContact CD1-CE2 3.9Å; L39-F77 HydrophobicContact CD1-CZ 3.68Å; L39-F77 HydrophobicContact CD2-CE1 4.29Å; L39-F77 HydrophobicContact CD2-CZ 4.27Å; I73-F77 HydrophobicContact CG2-CD2 3.57Å; I73-F77 HydrophobicContact CG2-CE2 3.46Å; I73-F77 VanDerWaalsContact CG2-CE2 3.46Å; I73-F77 VanDerWaalsContact O-CD2 3.28Å; I73-F77 WeakPolarHBondContact O-CD2 3.41Å; I73-F77 PolarHBondContact O-N 3.49Å; I74-F77 PolarHBondContact O-N 2.94Å; F77-L79 PolarHBondContact O-N 3.38Å; F77-I80 WeakPolarHBondContact O-CA 3.41Å; F77-I80 VanDerWaalsContact O-CB 3.31Å; F77-I80 WeakPolarHBondContact O-CB 3.26Å; F77-I80 PolarHBondContact O-N 2.88Å; F77-H81 PolarHBondContact O-N 3.17Å
78S64.1Low65.1Low44 Ų4472.8 Ų72.831%0.30837%0.366SS..Hα-helixtrans-62.9-28.4-178.566.90000112.7Y18 I74 D75 I80Y18-S78 VanDerWaalsContact OH-CA 3.27Å; Y18-S78 WeakPolarHBondContact OH-CA 3.37Å; Y18-S78 WeakPolarHBondContact OH-CB 3.47Å; I74-S78 VanDerWaalsContact O-CB 3.31Å; I74-S78 WeakPolarHBondContact O-CB 3.41Å; I74-S78 PolarHBondContact O-N 3.3Å; I74-S78 PolarHBondContact O-OG 3.03Å; D75-S78 WeakPolarHBondContact CA-OG 3.34Å; D75-S78 PolarHBondContact O-OG 3.22Å; S78-I80 PolarHBondContact O-N 3.42Å; S78-I80 VanDerWaalsContact O-N 3.1Å
79L57Low64.4Low133 Ų13371 Ų7170%0.69636%0.356SS*.THydrogen-bonded Turntrans-66.81.8169.4-71.7169.7000114D75 F77D75-L79 WeakPolarHBondContact O-CG 3.36Å; F77-L79 PolarHBondContact O-N 3.38Å
80I55.1Low63.6Low51 Ų5169.6 Ų69.626%0.26235%0.35SS..THydrogen-bonded Turntrans-126.4-45.6-175.3-48.1178.5000111.2Y29 L33 K36 F77 S78Y29-I80 HydrophobicContact CE2-CG2 4.33Å; L33-I80 HydrophobicContact CD2-CD1 3.46Å; L33-I80 VanDerWaalsContact CD2-CD1 3.46Å; K36-I80 HydrophobicContact CD-CD1 3.87Å; K36-I80 HydrophobicContact CD-CG1 4.27Å; F77-I80 WeakPolarHBondContact O-CA 3.41Å; F77-I80 VanDerWaalsContact O-CB 3.31Å; F77-I80 WeakPolarHBondContact O-CB 3.26Å; F77-I80 PolarHBondContact O-N 2.88Å; S78-I80 PolarHBondContact O-N 3.42Å; S78-I80 VanDerWaalsContact O-N 3.1Å
81H58.8Low62.8Low94 Ų9477.9 Ų77.944%0.43539%0.389SS..  trans-148.7153.8-173.5-140.9-72.5000112.2Y18 F77Y18-H81 WeakPolarHBondContact CE1-O 3.49Å; F77-H81 PolarHBondContact O-N 3.17Å
82Q57.1Low62.3Low154 Ų15477.7 Ų77.772%0.7239%0.388SS*.PPolyproline II helixtrans-73.3138.3162.8-71.9-77.9-13.300109.2
83P56.5Low62Low37 Ų3773.1 Ų73.124%0.2437%0.366CS..PPolyproline II helixtrans-66.3141.4175.429.4-33.9000110.5R14 Y18R14-P83 HydrophobicContact CG-CB 4.01Å; R14-P83 HydrophobicContact CG-CG 4.06Å; Y18-P83 HydrophobicContact CE1-CB 4.1Å
84I57.8Low61.7Low96 Ų9673.9 Ų73.949%0.49237%0.37SS..PPolyproline II helixtrans-62.8135.3164.9-53.4169.6000108.1S17 M86S17-I84 WeakPolarHBondContact CB-O 3.29Å; S17-I84 WeakPolarHBondContact OG-CA 3.49Å; S17-I84 WeakPolarHBondContact OG-CB 3.39Å; S17-I84 PolarHBondContact OG-N 3.47Å; S17-I84 PolarHBondContact OG-O 3.32Å; I84-M86 PolarHBondContact O-N 3.12Å
85E57.5Low61.5Low191 Ų19174.2 Ų74.289%0.89337%0.373SS*.PPolyproline II helixtrans-62.4125.4171.2-73.7-167.716200110
86M57.4Low61.6Low46 Ų4669.7 Ų69.723%0.22735%0.349CS..  trans-128.1134.9-178.9-78.3-69.1-7300110R13 K16 L20 I84 E88R13-M86 WeakPolarHBondContact CD-O 3.49Å; K16-M86 HydrophobicContact CD-CE 4.34Å; L20-M86 HydrophobicContact CD2-CE 4.38Å; I84-M86 PolarHBondContact O-N 3.12Å; M86-E88 HydrophobicContact CE-CB 4.31Å
87N55.4Low62.1Low156 Ų15668.4 Ų68.483%0.83434%0.344SS*.  trans-84.6-26.2173.6-68.8-21.2000112
88E56.8Low62.7Low118 Ų11868.5 Ų68.555%0.55134%0.344SS*.  trans-87.4132.8-174.4-64.6178.1-179.700113.3R13 K16 M86R13-E88 VanDerWaalsContact CG-O 3.28Å; R13-E88 WeakPolarHBondContact CG-O 3.45Å; K16-E88 IonicContact NZ-OE2 2.71Å; K16-E88 PolarHBondContact NZ-OE2 2.99Å; M86-E88 HydrophobicContact CE-CB 4.31Å
89I58.6Low63.4Low58 Ų5868.2 Ų68.230%0.29734%0.337SS..  trans-85.1159.7175.1-59.6168.7000109D9 E12 R13 E91D9-I89 HydrophobicContact CB-CD1 3.86Å; D9-I89 HydrophobicContact CB-CG1 4.28Å; E12-I89 HydrophobicContact CB-CG2 4.29Å; E12-I89 WeakPolarHBondContact OE2-CG2 3.4Å; R13-I89 HydrophobicContact CG-CG1 4.2Å; I89-E91 PolarHBondContact O-N 2.68Å
90I58Low64.7Low5 Ų561.9 Ų61.93%0.02630%0.304CS..  trans-77.4104.1166.9-57.4178.1000106E12 K16 N92 T95 L96E12-I90 HydrophobicContact CB-CB 4.32Å; E12-I90 HydrophobicContact CB-CD1 4.37Å; E12-I90 HydrophobicContact CB-CG1 4.25Å; E12-I90 WeakPolarHBondContact O-CD1 3.45Å; K16-I90 HydrophobicContact CB-CD1 4Å; K16-I90 HydrophobicContact CB-CG1 3.72Å; K16-I90 HydrophobicContact CD-CG1 4.12Å; K16-I90 HydrophobicContact CG-CG1 4.16Å; I90-N92 WeakPolarHBondContact CG2-O 3.46Å; I90-N92 PolarHBondContact O-N 3.46Å; I90-N92 VanDerWaalsContact O-N 3.09Å; I90-T95 HydrophobicContact CG2-CG2 4.46Å; I90-L96 HydrophobicContact CD1-CB 4.16Å; I90-L96 HydrophobicContact CD1-CD1 3.69Å; I90-L96 HydrophobicContact CD1-CG 4.32Å; I90-L96 HydrophobicContact CG2-CB 3.65Å
91E60.4Low66.2Low174 Ų17459.5 Ų59.581%0.81329%0.291SS*.  trans-54.7-34.7-171-62.6-178.1176.400113.5I89I89-E91 PolarHBondContact O-N 2.68Å
92N65.4Low67.4Low39 Ų3956.1 Ų56.121%0.20928%0.277CS..SBendtrans-156.7167.9176.767.356.4000112.7N60 I90 I94 T95 L96N60-N92 HydrophobicContact CB-CB 4.05Å; I90-N92 WeakPolarHBondContact CG2-O 3.46Å; I90-N92 PolarHBondContact O-N 3.46Å; I90-N92 VanDerWaalsContact O-N 3.09Å; N92-I94 VanDerWaalsContact C-N 3.26Å; N92-I94 PolarHBondContact O-N 3.33Å; N92-I94 VanDerWaalsContact OD1-CA 3.32Å; N92-I94 WeakPolarHBondContact OD1-CA 3.3Å; N92-I94 WeakPolarHBondContact OD1-CB 3.29Å; N92-I94 PolarHBondContact OD1-N 3.16Å; N92-T95 PolarHBondContact ND2-OG1 3.38Å; N92-T95 PolarHBondContact O-N 2.77Å; N92-T95 PolarHBondContact OD1-N 3.37Å; N92-T95 PolarHBondContact OD1-OG1 3.09Å; N92-L96 PolarHBondContact O-N 3.33Å
93F68.1Low68.7Low5 Ų548.8 Ų48.82%0.02224%0.242CC..Hα-helixtrans-65.6-24.2-179.3-163.3-120.9000114E50 I62 N66 L96 K97E50-F93 WeakPolarHBondContact OE2-CD1 3.27Å; E50-F93 WeakPolarHBondContact OE2-CE1 3.3Å; I62-F93 HydrophobicContact CG1-CD2 4.19Å; N66-F93 HydrophobicContact CB-CE2 4.09Å; N66-F93 HydrophobicContact CB-CZ 4.08Å; N66-F93 VanDerWaalsContact ND2-CZ 3.29Å; N66-F93 WeakPolarHBondContact ND2-CZ 3.39Å; F93-L96 HydrophobicContact CD2-CD2 3.94Å; F93-L96 HydrophobicContact CE2-CD2 3.91Å; F93-L96 PolarHBondContact O-N 2.79Å; F93-K97 HydrophobicContact CD1-CD 4.13Å; F93-K97 VanDerWaalsContact CD1-CE 3.47Å; F93-K97 HydrophobicContact CD1-CG 4.5Å; F93-K97 HydrophobicContact CE1-CD 4.23Å; F93-K97 HydrophobicContact CE1-CG 4.45Å; F93-K97 WeakPolarHBondContact O-CG 3.42Å; F93-K97 PolarHBondContact O-N 3.41Å
94I67.8Low70.2Confident17 Ų1747 Ų479%0.08723%0.231CC..Hα-helixtrans-67.3-48.4175.6-59170000109.4L57 N92 L96 K97 T98L57-I94 HydrophobicContact CD2-CD1 3.43Å; L57-I94 VanDerWaalsContact CD2-CD1 3.43Å; L57-I94 HydrophobicContact CG-CD1 4.24Å; N92-I94 VanDerWaalsContact C-N 3.26Å; N92-I94 PolarHBondContact O-N 3.33Å; N92-I94 VanDerWaalsContact OD1-CA 3.32Å; N92-I94 WeakPolarHBondContact OD1-CA 3.3Å; N92-I94 WeakPolarHBondContact OD1-CB 3.29Å; N92-I94 PolarHBondContact OD1-N 3.16Å; I94-L96 VanDerWaalsContact C-N 3.3Å; I94-L96 PolarHBondContact O-N 2.9Å; I94-K97 WeakPolarHBondContact O-CB 3.17Å; I94-K97 PolarHBondContact O-N 2.81Å; I94-K97 VanDerWaalsContact O-N 3.09Å; I94-T98 PolarHBondContact O-N 3.33Å; I94-T98 PolarHBondContact O-OG1 2.92Å
95T70.5Confident71.6Confident13 Ų1345 Ų458%0.0822%0.219CC..Hα-helixtrans-58.1-42.7175.3-53.40000110.7I90 N92 K97 T98 Y99 D182I90-T95 HydrophobicContact CG2-CG2 4.46Å; N92-T95 PolarHBondContact ND2-OG1 3.38Å; N92-T95 PolarHBondContact O-N 2.77Å; N92-T95 PolarHBondContact OD1-N 3.37Å; N92-T95 PolarHBondContact OD1-OG1 3.09Å; T95-K97 PolarHBondContact O-N 2.84Å; T95-T98 WeakPolarHBondContact O-CB 3.48Å; T95-T98 PolarHBondContact O-N 2.9Å; T95-Y99 HydrophobicContact CG2-CD2 3.88Å; T95-Y99 HydrophobicContact CG2-CE2 3.6Å; T95-Y99 WeakPolarHBondContact O-CD2 3.49Å; T95-Y99 PolarHBondContact O-N 3.39Å; T95-D182 WeakPolarHBondContact CB-OD2 3.25Å; T95-D182 PolarHBondContact OG1-OD2 3.49Å
96L75.3Confident72.9Confident1 Ų138.3 Ų38.31%0.00519%0.187CC..Hα-helixtrans-58.7-47.5173.3173.257.3000112.2L15 L19 I70 I90 N92 F93 I94 T98 Y99 I100L15-L96 HydrophobicContact CD2-CD1 3.41Å; L15-L96 VanDerWaalsContact CD2-CD1 3.41Å; L15-L96 HydrophobicContact CD2-CD2 3.83Å; L15-L96 HydrophobicContact CD2-CG 4.29Å; L15-L96 HydrophobicContact CG-CD1 4.02Å; L19-L96 HydrophobicContact CD1-CD1 3.52Å; I70-L96 HydrophobicContact CD1-CD2 3.75Å; I70-L96 HydrophobicContact CG1-CD2 4.3Å; I90-L96 HydrophobicContact CD1-CB 4.16Å; I90-L96 HydrophobicContact CD1-CD1 3.69Å; I90-L96 HydrophobicContact CD1-CG 4.32Å; I90-L96 HydrophobicContact CG2-CB 3.65Å; N92-L96 PolarHBondContact O-N 3.33Å; F93-L96 HydrophobicContact CD2-CD2 3.94Å; F93-L96 HydrophobicContact CE2-CD2 3.91Å; F93-L96 PolarHBondContact O-N 2.79Å; I94-L96 VanDerWaalsContact C-N 3.3Å; I94-L96 PolarHBondContact O-N 2.9Å; L96-T98 VanDerWaalsContact C-N 3.27Å; L96-T98 PolarHBondContact O-N 3.33Å; L96-Y99 PolarHBondContact O-N 2.87Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.05Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.48Å; L96-I100 WeakPolarHBondContact O-CG1 3.33Å; L96-I100 PolarHBondContact O-N 3.35Å
97K79.1Confident74.2Confident4 Ų436.1 Ų36.12%0.01718%0.176CC..Hα-helixtrans-58.5-41.1177-73167.6167.1171.90111.3I47 E50 F93 I94 T95 I100 I101 Y129I47-K97 HydrophobicContact CG2-CB 4.27Å; I47-K97 HydrophobicContact CG2-CG 4.14Å; E50-K97 IonicContact OE2-NZ 2.77Å; F93-K97 HydrophobicContact CD1-CD 4.13Å; F93-K97 VanDerWaalsContact CD1-CE 3.47Å; F93-K97 HydrophobicContact CD1-CG 4.5Å; F93-K97 HydrophobicContact CE1-CD 4.23Å; F93-K97 HydrophobicContact CE1-CG 4.45Å; F93-K97 WeakPolarHBondContact O-CG 3.42Å; F93-K97 PolarHBondContact O-N 3.41Å; I94-K97 WeakPolarHBondContact O-CB 3.17Å; I94-K97 PolarHBondContact O-N 2.81Å; I94-K97 VanDerWaalsContact O-N 3.09Å; T95-K97 PolarHBondContact O-N 2.84Å; K97-I100 PolarHBondContact O-N 2.91Å; K97-I101 WeakPolarHBondContact O-CG1 3.4Å; K97-I101 PolarHBondContact O-N 2.81Å; K97-Y129 HydrophobicContact CD-CE1 4.11Å; K97-Y129 VanDerWaalsContact CD-OH 3.25Å; K97-Y129 WeakPolarHBondContact CD-OH 3.37Å; K97-Y129 VanDerWaalsContact CE-OH 3.25Å; K97-Y129 WeakPolarHBondContact CE-OH 3.35Å
98T79.2Confident75.6Confident3 Ų328.7 Ų28.72%0.01814%0.137CC..Hα-helixtrans-60.6-48175.4-59.60000111.3I94 T95 L96 I100 I101 L102 D182 R185 R186I94-T98 PolarHBondContact O-N 3.33Å; I94-T98 PolarHBondContact O-OG1 2.92Å; T95-T98 WeakPolarHBondContact O-CB 3.48Å; T95-T98 PolarHBondContact O-N 2.9Å; L96-T98 VanDerWaalsContact C-N 3.27Å; L96-T98 PolarHBondContact O-N 3.33Å; T98-I100 VanDerWaalsContact C-N 3.33Å; T98-I100 PolarHBondContact O-N 3.47Å; T98-I101 PolarHBondContact O-N 3.27Å; T98-L102 HydrophobicContact CG2-CD1 4.19Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.47Å; T98-D182 PolarHBondContact OG1-O 2.98Å; T98-R185 HydrophobicContact CG2-CB 4.46Å; T98-R185 HydrophobicContact CG2-CG 4.41Å; T98-R186 HydrophobicContact CG2-CB 4.19Å
99Y79.2Confident76.9Confident37 Ų3728.6 Ų28.615%0.14513%0.134CC..Hα-helixtrans-60.5-39.4174.9-81.5-73000113L20 L23 T95 L96 L102 C103L20-Y99 HydrophobicContact CD1-CD1 4Å; L20-Y99 HydrophobicContact CD1-CE1 3.52Å; L23-Y99 HydrophobicContact CD1-CD1 3.86Å; L23-Y99 HydrophobicContact CD1-CE1 4.34Å; T95-Y99 HydrophobicContact CG2-CD2 3.88Å; T95-Y99 HydrophobicContact CG2-CE2 3.6Å; T95-Y99 WeakPolarHBondContact O-CD2 3.49Å; T95-Y99 PolarHBondContact O-N 3.39Å; L96-Y99 PolarHBondContact O-N 2.87Å; Y99-L102 PolarHBondContact O-N 3.5Å; Y99-C103 PolarHBondContact O-N 2.8Å; Y99-C103 PolarHBondContact O-SG 2.94Å
100I83.9Confident78Confident1 Ų127.9 Ų27.91%0.00513%0.131CC..Hα-helixtrans-62.4-44.3176.2-69168.6000110.8L19 L43 L46 I47 L96 K97 T98 C103 L104L19-I100 HydrophobicContact CD1-CG1 4.04Å; L19-I100 HydrophobicContact CD2-CG1 4.3Å; L43-I100 HydrophobicContact CB-CG2 3.82Å; L43-I100 HydrophobicContact CD2-CG1 4.24Å; L43-I100 HydrophobicContact CD2-CG2 4.05Å; L43-I100 HydrophobicContact CG-CG2 4.36Å; L46-I100 HydrophobicContact CB-CD1 3.88Å; L46-I100 HydrophobicContact CD1-CD1 3.66Å; L46-I100 HydrophobicContact CG-CD1 4.47Å; I47-I100 HydrophobicContact CG2-CB 3.95Å; I47-I100 HydrophobicContact CG2-CD1 4.08Å; I47-I100 HydrophobicContact CG2-CG2 3.63Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.05Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.48Å; L96-I100 WeakPolarHBondContact O-CG1 3.33Å; L96-I100 PolarHBondContact O-N 3.35Å; K97-I100 PolarHBondContact O-N 2.91Å; T98-I100 VanDerWaalsContact C-N 3.33Å; T98-I100 PolarHBondContact O-N 3.47Å; I100-C103 WeakPolarHBondContact O-CB 3.23Å; I100-C103 PolarHBondContact O-N 2.89Å; I100-L104 HydrophobicContact CG2-CD1 4.16Å; I100-L104 HydrophobicContact CG2-CG 4.46Å; I100-L104 WeakPolarHBondContact O-CG 2.96Å; I100-L104 PolarHBondContact O-N 2.86Å
101I86.5Confident79.1Confident0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-65.1-43.5179.9-70.7168.2000110.8I47 K97 T98 C103 L104 E105 L126 Y129 R186 I190 I193I47-I101 HydrophobicContact CD1-CG1 4.21Å; K97-I101 WeakPolarHBondContact O-CG1 3.4Å; K97-I101 PolarHBondContact O-N 2.81Å; T98-I101 PolarHBondContact O-N 3.27Å; I101-C103 PolarHBondContact O-N 3.15Å; I101-L104 WeakPolarHBondContact O-CB 3.32Å; I101-L104 PolarHBondContact O-N 3.27Å; I101-E105 PolarHBondContact O-N 2.96Å; I101-L126 HydrophobicContact CD1-CD2 4.27Å; I101-L126 HydrophobicContact CG1-CD2 4.01Å; I101-L126 HydrophobicContact CG2-CD2 4.49Å; I101-Y129 HydrophobicContact CD1-CD2 4.45Å; I101-R186 HydrophobicContact CD1-CG 3.55Å; I101-I190 HydrophobicContact CD1-CD1 4.37Å; I101-I190 HydrophobicContact CG2-CG1 3.89Å; I101-I193 HydrophobicContact CG2-CD1 4.18Å
102L84.1Confident80.1Confident24 Ų2428.5 Ų28.513%0.12614%0.141CC..Hα-helixtrans-57.9-38.9172.9-67.8166.5000111.6L23 T98 Y99 E105 K106L23-L102 HydrophobicContact CD1-CB 4.21Å; L23-L102 VanDerWaalsContact CD2-C 3.4Å; L23-L102 HydrophobicContact CD2-CB 3.62Å; L23-L102 WeakPolarHBondContact CD2-O 3.3Å; T98-L102 HydrophobicContact CG2-CD1 4.19Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.47Å; Y99-L102 PolarHBondContact O-N 3.5Å; L102-E105 WeakPolarHBondContact O-CB 3.48Å; L102-E105 PolarHBondContact O-N 3.17Å; L102-K106 PolarHBondContact O-N 3.36Å
103C84.6Confident81Confident0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-66.2-41.9175.4-68.50000111.6L19 V22 Y99 I100 I101 E105 K106 L107L19-C103 HydrophobicContact CD2-CB 4.32Å; L19-C103 VanDerWaalsContact CD2-SG 3.58Å; L19-C103 PolarHBondContact O-SG 2.89Å; V22-C103 HydrophobicContact CB-CB 4.49Å; V22-C103 HydrophobicContact CG1-CB 4.07Å; Y99-C103 PolarHBondContact O-N 2.8Å; Y99-C103 PolarHBondContact O-SG 2.94Å; I100-C103 WeakPolarHBondContact O-CB 3.23Å; I100-C103 PolarHBondContact O-N 2.89Å; I101-C103 PolarHBondContact O-N 3.15Å; C103-E105 VanDerWaalsContact C-N 3.28Å; C103-E105 PolarHBondContact O-N 3.08Å; C103-K106 PolarHBondContact O-N 2.86Å; C103-L107 VanDerWaalsContact O-CG 3.29Å; C103-L107 WeakPolarHBondContact O-CG 3.49Å; C103-L107 PolarHBondContact O-N 3.3Å
104L87.8Confident81.9Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-60.7-38.5176.8-71169.7000111.4I40 L43 L44 I47 I100 I101 K106 L107 I108 F117 I193I40-L104 HydrophobicContact CG1-CD2 4.15Å; I40-L104 HydrophobicContact CG2-CD2 4.32Å; L43-L104 HydrophobicContact CB-CD2 4.21Å; L43-L104 HydrophobicContact CD1-CD2 4.04Å; L43-L104 HydrophobicContact CD1-CG 4.45Å; L44-L104 HydrophobicContact CD2-CD1 4.01Å; I47-L104 HydrophobicContact CD1-CD1 3.92Å; I100-L104 HydrophobicContact CG2-CD1 4.16Å; I100-L104 HydrophobicContact CG2-CG 4.46Å; I100-L104 WeakPolarHBondContact O-CG 2.96Å; I100-L104 PolarHBondContact O-N 2.86Å; I101-L104 WeakPolarHBondContact O-CB 3.32Å; I101-L104 PolarHBondContact O-N 3.27Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.57Å; L104-L107 PolarHBondContact O-N 2.8Å; L104-I108 VanDerWaalsContact O-CB 3.32Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 VanDerWaalsContact O-CG1 3.23Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.72Å; L104-F117 HydrophobicContact CD1-CE2 4.31Å; L104-F117 HydrophobicContact CD2-CD2 4.41Å; L104-I193 HydrophobicContact CB-CD1 4.12Å
105E87.7Confident82.6Confident52 Ų5232.8 Ų32.824%0.24316%0.158CC..Hα-helixtrans-57.6-43.9173.8-172.8177.4-170.600112.4I101 L102 C103 S189 I193I101-E105 PolarHBondContact O-N 2.96Å; L102-E105 WeakPolarHBondContact O-CB 3.48Å; L102-E105 PolarHBondContact O-N 3.17Å; C103-E105 VanDerWaalsContact C-N 3.28Å; C103-E105 PolarHBondContact O-N 3.08Å; E105-S189 WeakPolarHBondContact CB-OG 3.46Å; E105-S189 WeakPolarHBondContact OE2-CA 3.46Å; E105-S189 VanDerWaalsContact OE2-CB 3.27Å; E105-S189 WeakPolarHBondContact OE2-CB 3.35Å; E105-S189 PolarHBondContact OE2-OG 3.31Å; E105-I193 VanDerWaalsContact CA-CG1 3.48Å; E105-I193 HydrophobicContact CB-CD1 3.94Å; E105-I193 HydrophobicContact CB-CG1 3.63Å; E105-I193 HydrophobicContact CG-CG1 3.97Å
106K84.3Confident83.3Confident51 Ų5133.3 Ų33.322%0.22216%0.16CC..Hα-helixtrans-67.8-40.3176-163.279.5179.3-1560112L30 L102 C103 L104 K109L30-K106 HydrophobicContact CD1-CD 4.05Å; L30-K106 VanDerWaalsContact CD1-CE 3.42Å; L30-K106 HydrophobicContact CD1-CG 3.53Å; L30-K106 HydrophobicContact CD2-CG 3.74Å; L30-K106 HydrophobicContact CG-CG 4.26Å; L102-K106 PolarHBondContact O-N 3.36Å; C103-K106 PolarHBondContact O-N 2.86Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.57Å; K106-K109 WeakPolarHBondContact O-CB 3.49Å; K106-K109 WeakPolarHBondContact O-CG 3.44Å
107L84.6Confident83.9Confident0 Ų033.2 Ų33.20%016%0.16CC..Hα-helixtrans-71.7-35.7-177.8-67.4171.4000113.4V22 L30 L33 L39 I40 L43 C103 L104 K109 I110 Y113V22-L107 HydrophobicContact CG1-CD2 4.32Å; V22-L107 HydrophobicContact CG1-CG 4.31Å; L30-L107 HydrophobicContact CD2-CD2 4.16Å; L33-L107 HydrophobicContact CD1-CD2 4.28Å; L39-L107 HydrophobicContact CD2-CD1 3.93Å; L39-L107 HydrophobicContact CD2-CD2 4.43Å; L39-L107 HydrophobicContact CG-CD1 4.38Å; I40-L107 HydrophobicContact CD1-CB 4.47Å; I40-L107 HydrophobicContact CG1-CD1 4.33Å; L43-L107 HydrophobicContact CD1-CD1 3.94Å; C103-L107 VanDerWaalsContact O-CG 3.29Å; C103-L107 WeakPolarHBondContact O-CG 3.49Å; C103-L107 PolarHBondContact O-N 3.3Å; L104-L107 PolarHBondContact O-N 2.8Å; L107-K109 PolarHBondContact O-N 2.82Å; L107-K109 VanDerWaalsContact O-N 3.12Å; L107-I110 PolarHBondContact O-N 2.67Å; L107-Y113 HydrophobicContact CB-CD2 4.07Å; L107-Y113 HydrophobicContact CB-CE2 4.41Å; L107-Y113 HydrophobicContact CD2-CD2 4.2Å; L107-Y113 HydrophobicContact CD2-CE2 3.69Å; L107-Y113 WeakPolarHBondContact O-CB 3.5Å; L107-Y113 WeakPolarHBondContact O-CD2 3.24Å
108I86.1Confident84.1Confident0 Ų036.4 Ų36.40%017%0.172CC..THydrogen-bonded Turntrans-66.1-12.8-178.5-77.2171.7000112.6L104 I110 Q114 F117 I193 Q196 L197L104-I108 VanDerWaalsContact O-CB 3.32Å; L104-I108 WeakPolarHBondContact O-CB 3.41Å; L104-I108 VanDerWaalsContact O-CG1 3.23Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.72Å; I108-I110 PolarHBondContact O-N 2.77Å; I108-I110 VanDerWaalsContact O-N 3.16Å; I108-Q114 HydrophobicContact CG2-CG 4.12Å; I108-Q114 WeakPolarHBondContact O-CG 3.41Å; I108-Q114 PolarHBondContact O-NE2 3.46Å; I108-F117 HydrophobicContact CD1-CD1 3.96Å; I108-F117 HydrophobicContact CD1-CD2 3.73Å; I108-F117 HydrophobicContact CD1-CE1 3.98Å; I108-F117 HydrophobicContact CD1-CE2 3.74Å; I108-F117 HydrophobicContact CD1-CG 3.83Å; I108-F117 HydrophobicContact CD1-CZ 3.88Å; I108-F117 HydrophobicContact CG1-CD2 4.39Å; I108-F117 HydrophobicContact CG1-CG 4.32Å; I108-I193 HydrophobicContact CD1-CB 4.4Å; I108-I193 HydrophobicContact CD1-CD1 4.39Å; I108-I193 HydrophobicContact CD1-CG1 4.18Å; I108-I193 HydrophobicContact CD1-CG2 3.38Å; I108-I193 HydrophobicContact CG2-CG2 4.46Å; I108-Q196 HydrophobicContact CG2-CG 4.41Å; I108-L197 HydrophobicContact CG2-CD2 3.81Å; I108-L197 HydrophobicContact CG2-CG 4Å
109K83.1Confident84.4Confident117 Ų11740.7 Ų40.751%0.50919%0.194SC..THydrogen-bonded Turntrans-59-21.9168-58.7-171.4173.8-172.10113.6K106 L107K106-K109 WeakPolarHBondContact O-CB 3.49Å; K106-K109 WeakPolarHBondContact O-CG 3.44Å; L107-K109 PolarHBondContact O-N 2.82Å; L107-K109 VanDerWaalsContact O-N 3.12Å
110I82.4Confident84.7Confident42 Ų4243.2 Ų43.222%0.21521%0.207CC..SBendtrans-96.1121.6178.1-53.9178000110L30 L107 I108 K112 Y113 Q114L30-I110 HydrophobicContact CB-CD1 4.04Å; L30-I110 WeakPolarHBondContact O-CD1 3.33Å; L107-I110 PolarHBondContact O-N 2.67Å; I108-I110 PolarHBondContact O-N 2.77Å; I108-I110 VanDerWaalsContact O-N 3.16Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 HydrophobicContact CG2-CB 4.31Å; I110-K112 PolarHBondContact O-N 3.22Å; I110-Y113 HydrophobicContact CB-CD2 3.88Å; I110-Y113 HydrophobicContact CD1-CD2 4.03Å; I110-Y113 HydrophobicContact CD1-CE2 4.09Å; I110-Y113 HydrophobicContact CG1-CD2 4.36Å; I110-Y113 HydrophobicContact CG2-CD2 4.36Å; I110-Y113 WeakPolarHBondContact O-CA 3.42Å; I110-Y113 WeakPolarHBondContact O-CB 3.23Å; I110-Y113 PolarHBondContact O-N 3.47Å; I110-Q114 PolarHBondContact O-N 3.4Å
111S80.6Confident84.7Confident87 Ų8748.3 Ų48.361%0.60824%0.235SC*.Hα-helixtrans-53.2-40.1-177.2175.90000114.5Y113 Q114 K115S111-Y113 PolarHBondContact O-N 3.33Å; S111-Q114 WeakPolarHBondContact O-CB 3.48Å; S111-Q114 PolarHBondContact O-N 3.32Å; S111-Q114 VanDerWaalsContact O-N 3.14Å; S111-K115 PolarHBondContact O-N 3.17Å
112K81.3Confident84.8Confident105 Ų10548.3 Ų48.346%0.45724%0.235SC..Hα-helixtrans-55.9-38.7175.6-175.2-178.7178.3-171.50112S34 I110 I116S34-K112 PolarHBondContact O-NZ 3.13Å; I110-K112 VanDerWaalsContact C-N 3.3Å; I110-K112 HydrophobicContact CG2-CB 4.31Å; I110-K112 PolarHBondContact O-N 3.22Å; K112-I116 HydrophobicContact CG-CD1 4.36Å; K112-I116 WeakPolarHBondContact O-CG1 3.16Å; K112-I116 PolarHBondContact O-N 3.14Å
113Y83.9Confident85.2Confident0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-75.4-32.9179.7-82-37000113.3L33 S34 K36 I40 L107 I110 S111 K115 I116 F117L33-Y113 PolarHBondContact O-OH 3.07Å; S34-Y113 VanDerWaalsContact CA-CZ 3.5Å; S34-Y113 WeakPolarHBondContact CA-OH 3.47Å; S34-Y113 PolarHBondContact N-OH 3.09Å; K36-Y113 PolarHBondContact O-OH 3.09Å; I40-Y113 HydrophobicContact CD1-CD1 3.36Å; I40-Y113 HydrophobicContact CD1-CD2 4.43Å; I40-Y113 HydrophobicContact CD1-CE1 4.2Å; I40-Y113 HydrophobicContact CD1-CG 3.49Å; I40-Y113 VanDerWaalsContact CD1-CG 3.49Å; I40-Y113 HydrophobicContact CG1-CD1 3.91Å; I40-Y113 HydrophobicContact CG1-CE1 4.29Å; I40-Y113 HydrophobicContact CG1-CG 4.39Å; L107-Y113 HydrophobicContact CB-CD2 4.07Å; L107-Y113 HydrophobicContact CB-CE2 4.41Å; L107-Y113 HydrophobicContact CD2-CD2 4.2Å; L107-Y113 HydrophobicContact CD2-CE2 3.69Å; L107-Y113 WeakPolarHBondContact O-CB 3.5Å; L107-Y113 WeakPolarHBondContact O-CD2 3.24Å; I110-Y113 HydrophobicContact CB-CD2 3.88Å; I110-Y113 HydrophobicContact CD1-CD2 4.03Å; I110-Y113 HydrophobicContact CD1-CE2 4.09Å; I110-Y113 HydrophobicContact CG1-CD2 4.36Å; I110-Y113 HydrophobicContact CG2-CD2 4.36Å; I110-Y113 WeakPolarHBondContact O-CA 3.42Å; I110-Y113 WeakPolarHBondContact O-CB 3.23Å; I110-Y113 PolarHBondContact O-N 3.47Å; S111-Y113 PolarHBondContact O-N 3.33Å; Y113-K115 VanDerWaalsContact C-N 3.29Å; Y113-K115 PolarHBondContact O-N 3.45Å; Y113-I116 HydrophobicContact CD1-CD1 4.1Å; Y113-I116 PolarHBondContact O-N 2.94Å; Y113-F117 WeakPolarHBondContact O-CB 3.33Å; Y113-F117 PolarHBondContact O-N 3.38Å
114Q87.3Confident85.5Confident28 Ų2852.9 Ų52.913%0.13125%0.253CS..Hα-helixtrans-57.3-43.6172.4-58179.7-13.200111.6I108 I110 S111 F117 R118 L197 Y203I108-Q114 HydrophobicContact CG2-CG 4.12Å; I108-Q114 WeakPolarHBondContact O-CG 3.41Å; I108-Q114 PolarHBondContact O-NE2 3.46Å; I110-Q114 PolarHBondContact O-N 3.4Å; S111-Q114 WeakPolarHBondContact O-CB 3.48Å; S111-Q114 PolarHBondContact O-N 3.32Å; S111-Q114 VanDerWaalsContact O-N 3.14Å; Q114-F117 PolarHBondContact O-N 2.97Å; Q114-R118 WeakPolarHBondContact O-CB 3.29Å; Q114-R118 PolarHBondContact O-N 3.26Å; Q114-L197 HydrophobicContact CB-CD2 3.93Å; Q114-L197 HydrophobicContact CG-CD2 3.85Å; Q114-Y203 HydrophobicContact CB-CE1 4.45Å; Q114-Y203 HydrophobicContact CB-CE2 4.5Å; Q114-Y203 WeakPolarHBondContact CB-OH 3.47Å
115K84.1Confident85.5Confident123 Ų12354 Ų5454%0.53526%0.26SS..Hα-helixtrans-64.5-43.4178.3-172.3176.4179.7178.70112.1S111 Y113 N119 Y203S111-K115 PolarHBondContact O-N 3.17Å; Y113-K115 VanDerWaalsContact C-N 3.29Å; Y113-K115 PolarHBondContact O-N 3.45Å; K115-N119 PolarHBondContact O-N 3.32Å; K115-N119 PolarHBondContact O-OD1 3.32Å; K115-Y203 PolarHBondContact N-OH 3.5Å
116I84.4Confident85.7Confident24 Ų2451.6 Ų51.612%0.12325%0.248CC..Hα-helixtrans-65.7-48.6177.3-64.5165.8000109.9P37 I40 P41 K112 Y113 R118 N119 H120P37-I116 HydrophobicContact CB-CD1 3.6Å; I40-I116 HydrophobicContact CB-CG2 4.1Å; I40-I116 HydrophobicContact CG2-CG2 4.22Å; P41-I116 HydrophobicContact CG-CG2 3.85Å; K112-I116 HydrophobicContact CG-CD1 4.36Å; K112-I116 WeakPolarHBondContact O-CG1 3.16Å; K112-I116 PolarHBondContact O-N 3.14Å; Y113-I116 HydrophobicContact CD1-CD1 4.1Å; Y113-I116 PolarHBondContact O-N 2.94Å; I116-R118 VanDerWaalsContact C-N 3.26Å; I116-R118 PolarHBondContact O-N 3.31Å; I116-N119 PolarHBondContact O-N 2.75Å; I116-N119 VanDerWaalsContact O-N 3.07Å; I116-H120 PolarHBondContact O-CD2 2.85Å; I116-H120 VanDerWaalsContact O-CD2 3.27Å; I116-H120 PolarHBondContact O-N 3.14Å; I116-H120 VanDerWaalsContact O-N 3.16Å
117F87.1Confident86Confident0 Ų049.3 Ų49.30%024%0.238CC..Hα-helixtrans-52-45.7177.3-179.8-98.5000111.9I40 L44 L104 I108 Y113 Q114 H120 G122 I123 L126 I193 L197I40-F117 HydrophobicContact CD1-CB 4.4Å; I40-F117 HydrophobicContact CG2-CB 4.01Å; I40-F117 HydrophobicContact CG2-CD2 4.04Å; L44-F117 HydrophobicContact CD1-CD2 4.04Å; L44-F117 HydrophobicContact CD1-CE2 4.43Å; L44-F117 HydrophobicContact CD2-CD2 4.11Å; L44-F117 HydrophobicContact CD2-CE2 3.73Å; L44-F117 HydrophobicContact CG-CD2 4.42Å; L104-F117 HydrophobicContact CD1-CE2 4.31Å; L104-F117 HydrophobicContact CD2-CD2 4.41Å; I108-F117 HydrophobicContact CD1-CD1 3.96Å; I108-F117 HydrophobicContact CD1-CD2 3.73Å; I108-F117 HydrophobicContact CD1-CE1 3.98Å; I108-F117 HydrophobicContact CD1-CE2 3.74Å; I108-F117 HydrophobicContact CD1-CG 3.83Å; I108-F117 HydrophobicContact CD1-CZ 3.88Å; I108-F117 HydrophobicContact CG1-CD2 4.39Å; I108-F117 HydrophobicContact CG1-CG 4.32Å; Y113-F117 WeakPolarHBondContact O-CB 3.33Å; Y113-F117 PolarHBondContact O-N 3.38Å; Q114-F117 PolarHBondContact O-N 2.97Å; F117-H120 PolarHBondContact O-N 3.06Å; F117-G122 WeakPolarHBondContact CZ-O 3.3Å; F117-G122 WeakPolarHBondContact O-CA 3.38Å; F117-G122 PolarHBondContact O-N 2.98Å; F117-I123 HydrophobicContact CD1-CG1 4.36Å; F117-I123 HydrophobicContact CE1-CG1 3.83Å; F117-I123 VanDerWaalsContact CE1-N 3.32Å; F117-L126 HydrophobicContact CE1-CD1 4.47Å; F117-L126 HydrophobicContact CE2-CD1 4.25Å; F117-L126 HydrophobicContact CE2-CG 4.48Å; F117-L126 HydrophobicContact CZ-CD1 3.53Å; F117-L126 HydrophobicContact CZ-CG 3.87Å; F117-I193 HydrophobicContact CZ-CG2 4.39Å; F117-L197 HydrophobicContact CD1-CD1 4Å; F117-L197 HydrophobicContact CE1-CD1 3.75Å
118R84.4Confident86Confident71 Ų7153 Ų5327%0.26826%0.258SS..Hα-helixtrans-62.8-49.6174.1177.8-158.768.3179.610.8113.2Q114 I116 H120 N121 Y203 I206Q114-R118 WeakPolarHBondContact O-CB 3.29Å; Q114-R118 PolarHBondContact O-N 3.26Å; I116-R118 VanDerWaalsContact C-N 3.26Å; I116-R118 PolarHBondContact O-N 3.31Å; R118-H120 PolarHBondContact O-N 3.31Å; R118-N121 PolarHBondContact O-N 2.92Å; R118-Y203 HydrophobicContact CB-CD1 4.45Å; R118-Y203 HydrophobicContact CB-CE1 3.85Å; R118-Y203 HydrophobicContact CG-CE1 4.27Å; R118-I206 HydrophobicContact CG-CD1 3.95Å
119N84.6Confident85.9Confident92 Ų9253.4 Ų53.449%0.49226%0.26SS..Hα-helixtrans-60.2-18.8-177.4-71.1-3.8000112.8K115 I116K115-N119 PolarHBondContact O-N 3.32Å; K115-N119 PolarHBondContact O-OD1 3.32Å; I116-N119 PolarHBondContact O-N 2.75Å; I116-N119 VanDerWaalsContact O-N 3.07Å
120H85.4Confident86Confident91 Ų9147.9 Ų47.942%0.42124%0.235SC..THydrogen-bonded Turntrans-107.526.8176.7-70.5-87.1000113.2P41 L44 I116 F117 R118 G122 I125P41-H120 WeakPolarHBondContact CG-NE2 3.08Å; L44-H120 HydrophobicContact CD1-CB 3.67Å; I116-H120 PolarHBondContact O-CD2 2.85Å; I116-H120 VanDerWaalsContact O-CD2 3.27Å; I116-H120 PolarHBondContact O-N 3.14Å; I116-H120 VanDerWaalsContact O-N 3.16Å; F117-H120 PolarHBondContact O-N 3.06Å; R118-H120 PolarHBondContact O-N 3.31Å; H120-G122 PolarHBondContact O-N 3.28Å; H120-G122 VanDerWaalsContact O-N 3.17Å; H120-I125 WeakPolarHBondContact O-CD1 3.32Å
121N85.5Confident85.9Confident108 Ų10850.4 Ų50.458%0.57825%0.245SC*.THydrogen-bonded Turntrans5924.9176.3-61.9-36.2000114.9R118 I123 K124 I125R118-N121 PolarHBondContact O-N 2.92Å; N121-I123 VanDerWaalsContact C-N 3.31Å; N121-I123 PolarHBondContact O-N 3.2Å; N121-K124 PolarHBondContact O-N 2.99Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-I125 HydrophobicContact CB-CD1 4.42Å; N121-I125 WeakPolarHBondContact O-CD1 3.22Å; N121-I125 WeakPolarHBondContact O-CG1 3.46Å; N121-I125 PolarHBondContact O-N 2.99Å
122G88.5Confident85.1Confident0 Ų046.7 Ų46.70%022%0.219CC..Hα-helixtrans-54.7-42.2-175.100000113.8F117 H120 K124 I125 L126F117-G122 WeakPolarHBondContact CZ-O 3.3Å; F117-G122 WeakPolarHBondContact O-CA 3.38Å; F117-G122 PolarHBondContact O-N 2.98Å; H120-G122 PolarHBondContact O-N 3.28Å; H120-G122 VanDerWaalsContact O-N 3.17Å; G122-K124 PolarHBondContact O-N 3.02Å; G122-I125 PolarHBondContact O-N 2.95Å; G122-L126 WeakPolarHBondContact O-CG 3.38Å; G122-L126 PolarHBondContact O-N 3.38Å
123I91.9Very high84Confident4 Ų441.9 Ų41.92%0.02120%0.198CC..Hα-helixtrans-59.3-49.6178.4-66.1172.8000110.8F117 N121 I125 L126 L127 L194 L197 Y203 I206 V207F117-I123 HydrophobicContact CD1-CG1 4.36Å; F117-I123 HydrophobicContact CE1-CG1 3.83Å; F117-I123 VanDerWaalsContact CE1-N 3.32Å; N121-I123 VanDerWaalsContact C-N 3.31Å; N121-I123 PolarHBondContact O-N 3.2Å; I123-I125 VanDerWaalsContact C-N 3.33Å; I123-I125 PolarHBondContact O-N 2.91Å; I123-L126 PolarHBondContact O-N 3.25Å; I123-L127 HydrophobicContact CG2-CD1 3.82Å; I123-L127 HydrophobicContact CG2-CG 4.42Å; I123-L127 WeakPolarHBondContact O-CB 3.43Å; I123-L127 WeakPolarHBondContact O-CG 3.35Å; I123-L127 PolarHBondContact O-N 3.29Å; I123-L194 HydrophobicContact CG2-CD2 4.16Å; I123-L197 HydrophobicContact CD1-CD1 4.15Å; I123-L197 HydrophobicContact CG1-CD1 3.86Å; I123-Y203 HydrophobicContact CD1-CD1 4.14Å; I123-I206 HydrophobicContact CB-CG2 4.32Å; I123-I206 HydrophobicContact CD1-CB 4.04Å; I123-I206 HydrophobicContact CD1-CG2 3.72Å; I123-I206 HydrophobicContact CG2-CG2 4.19Å; I123-V207 HydrophobicContact CD1-CG2 4.26Å; I123-V207 HydrophobicContact CG2-CG2 3.9Å
124K89.7Confident82.8Confident115 Ų11544.1 Ų44.150%0.521%0.21SC..Hα-helixtrans-61.5-41.9179.3179.8173-173167.10112N121 G122 L127 N128 E210N121-K124 PolarHBondContact O-N 2.99Å; N121-K124 VanDerWaalsContact O-N 3.12Å; G122-K124 PolarHBondContact O-N 3.02Å; K124-L127 PolarHBondContact O-N 3.47Å; K124-N128 PolarHBondContact O-N 3.23Å; K124-E210 HydrophobicContact CB-CG 4.38Å; K124-E210 WeakPolarHBondContact CD-OE2 3.44Å; K124-E210 WeakPolarHBondContact CG-OE2 3.41Å
125I88.4Confident81Confident25 Ų2547.1 Ų47.113%0.12822%0.224CC..Hα-helixtrans-61.2-49178-65.3157.4000110.3L44 I47 S48 H120 N121 G122 I123 N128 Y129L44-I125 HydrophobicContact CB-CD1 4.2Å; L44-I125 HydrophobicContact CD1-CD1 4.49Å; L44-I125 HydrophobicContact CD2-CD1 4.07Å; L44-I125 HydrophobicContact CG-CD1 4.49Å; I47-I125 HydrophobicContact CD1-CG2 3.76Å; I47-I125 HydrophobicContact CG1-CG2 3.82Å; S48-I125 WeakPolarHBondContact OG-CD1 3.46Å; S48-I125 WeakPolarHBondContact OG-CG1 3.41Å; H120-I125 WeakPolarHBondContact O-CD1 3.32Å; N121-I125 HydrophobicContact CB-CD1 4.42Å; N121-I125 WeakPolarHBondContact O-CD1 3.22Å; N121-I125 WeakPolarHBondContact O-CG1 3.46Å; N121-I125 PolarHBondContact O-N 2.99Å; G122-I125 PolarHBondContact O-N 2.95Å; I123-I125 VanDerWaalsContact C-N 3.33Å; I123-I125 PolarHBondContact O-N 2.91Å; I125-N128 WeakPolarHBondContact O-CB 3.44Å; I125-N128 PolarHBondContact O-N 3.1Å; I125-Y129 HydrophobicContact CG2-CE2 4.29Å; I125-Y129 WeakPolarHBondContact O-CD2 3.01Å; I125-Y129 PolarHBondContact O-N 3.49Å
126L91Very high78.9Confident0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-64.8-41179.3-65.4-170.8000112.7I47 I101 F117 G122 I123 N128 Y129 L130 I190 I193I47-L126 HydrophobicContact CD1-CD2 3.94Å; I101-L126 HydrophobicContact CD1-CD2 4.27Å; I101-L126 HydrophobicContact CG1-CD2 4.01Å; I101-L126 HydrophobicContact CG2-CD2 4.49Å; F117-L126 HydrophobicContact CE1-CD1 4.47Å; F117-L126 HydrophobicContact CE2-CD1 4.25Å; F117-L126 HydrophobicContact CE2-CG 4.48Å; F117-L126 HydrophobicContact CZ-CD1 3.53Å; F117-L126 HydrophobicContact CZ-CG 3.87Å; G122-L126 WeakPolarHBondContact O-CG 3.38Å; G122-L126 PolarHBondContact O-N 3.38Å; I123-L126 PolarHBondContact O-N 3.25Å; L126-N128 PolarHBondContact O-N 3.45Å; L126-Y129 WeakPolarHBondContact O-CB 3.37Å; L126-Y129 PolarHBondContact O-N 3.23Å; L126-Y129 VanDerWaalsContact O-N 3.12Å; L126-L130 PolarHBondContact O-N 3.15Å; L126-I190 HydrophobicContact CB-CG1 4.3Å; L126-I190 HydrophobicContact CB-CG2 3.95Å; L126-I190 HydrophobicContact CD2-CG1 4.24Å; L126-I193 HydrophobicContact CD1-CB 4.06Å; L126-I193 HydrophobicContact CD1-CD1 3.63Å; L126-I193 HydrophobicContact CD1-CG1 4.43Å; L126-I193 HydrophobicContact CD1-CG2 3.61Å
127L90.6Very high76.9Confident4 Ų448.9 Ų48.92%0.02123%0.231CC..Hα-helixtrans-63.1-32.4176.6-74175.6000112.2I123 K124 Y129 L130 K131 L194 E210 L215I123-L127 HydrophobicContact CG2-CD1 3.82Å; I123-L127 HydrophobicContact CG2-CG 4.42Å; I123-L127 WeakPolarHBondContact O-CB 3.43Å; I123-L127 WeakPolarHBondContact O-CG 3.35Å; I123-L127 PolarHBondContact O-N 3.29Å; K124-L127 PolarHBondContact O-N 3.47Å; L127-Y129 VanDerWaalsContact C-N 3.28Å; L127-Y129 PolarHBondContact O-N 3.35Å; L127-L130 HydrophobicContact CD2-CD1 4.17Å; L127-L130 PolarHBondContact O-N 3.26Å; L127-K131 PolarHBondContact O-N 2.99Å; L127-L194 HydrophobicContact CD2-CD1 3.57Å; L127-L194 HydrophobicContact CG-CD1 4.34Å; L127-E210 HydrophobicContact CD1-CB 3.56Å; L127-E210 WeakPolarHBondContact CD1-O 3.12Å; L127-L215 HydrophobicContact CB-CD1 3.85Å; L127-L215 HydrophobicContact CD2-CB 4.28Å; L127-L215 HydrophobicContact CD2-CD1 4.08Å; L127-L215 HydrophobicContact CG-CD1 4.46Å; L127-L215 WeakPolarHBondContact O-CD1 3.38Å
128N86.3Confident74.5Confident77 Ų7752.5 Ų52.541%0.41226%0.256SS..Hα-helixtrans-62.8-33.9174.6-164.950.9000112.5K124 I125 L126 K131 V132K124-N128 PolarHBondContact O-N 3.23Å; I125-N128 WeakPolarHBondContact O-CB 3.44Å; I125-N128 PolarHBondContact O-N 3.1Å; L126-N128 PolarHBondContact O-N 3.45Å; N128-K131 WeakPolarHBondContact O-CB 3.35Å; N128-K131 PolarHBondContact O-N 2.91Å; N128-V132 WeakPolarHBondContact O-CG2 3.37Å; N128-V132 PolarHBondContact O-N 3.29Å; N128-V132 VanDerWaalsContact O-N 3.09Å
129Y84.1Confident71.8Confident9 Ų954.7 Ų54.74%0.03527%0.273CS..Hα-helixtrans-64.6-41.4173.4-81.6-84.9000112.3I47 K97 I101 I125 L126 L127 K131 V132 C133 I190I47-Y129 HydrophobicContact CB-CE2 4.03Å; I47-Y129 WeakPolarHBondContact O-CE2 2.96Å; I47-Y129 PolarHBondContact O-OH 3.11Å; K97-Y129 HydrophobicContact CD-CE1 4.11Å; K97-Y129 VanDerWaalsContact CD-OH 3.25Å; K97-Y129 WeakPolarHBondContact CD-OH 3.37Å; K97-Y129 VanDerWaalsContact CE-OH 3.25Å; K97-Y129 WeakPolarHBondContact CE-OH 3.35Å; I101-Y129 HydrophobicContact CD1-CD2 4.45Å; I125-Y129 HydrophobicContact CG2-CE2 4.29Å; I125-Y129 WeakPolarHBondContact O-CD2 3.01Å; I125-Y129 PolarHBondContact O-N 3.49Å; L126-Y129 WeakPolarHBondContact O-CB 3.37Å; L126-Y129 PolarHBondContact O-N 3.23Å; L126-Y129 VanDerWaalsContact O-N 3.12Å; L127-Y129 VanDerWaalsContact C-N 3.28Å; L127-Y129 PolarHBondContact O-N 3.35Å; Y129-K131 VanDerWaalsContact C-N 3.27Å; Y129-K131 PolarHBondContact O-N 3.37Å; Y129-V132 PolarHBondContact O-N 2.96Å; Y129-C133 PolarHBondContact O-N 2.88Å; Y129-C133 PolarHBondContact O-SG 3.16Å; Y129-I190 HydrophobicContact CG-CD1 4.48Å
130L85Confident69.2Low0 Ų055.9 Ų55.90%028%0.279CS..Hα-helixtrans-63.4-35.6174.4-62-171.8000111.8L126 L127 C133 N187 I190 L194 L215 I216 Q219L126-L130 PolarHBondContact O-N 3.15Å; L127-L130 HydrophobicContact CD2-CD1 4.17Å; L127-L130 PolarHBondContact O-N 3.26Å; L130-C133 WeakPolarHBondContact O-CB 3.42Å; L130-N187 HydrophobicContact CD2-CB 3.87Å; L130-I190 HydrophobicContact CD1-CG2 3.83Å; L130-I190 HydrophobicContact CD2-CB 4.14Å; L130-I190 HydrophobicContact CD2-CD1 3.98Å; L130-I190 HydrophobicContact CD2-CG2 3.95Å; L130-I190 HydrophobicContact CG-CD1 4.4Å; L130-I190 HydrophobicContact CG-CG2 3.8Å; L130-L194 HydrophobicContact CD1-CD1 4.32Å; L130-L215 HydrophobicContact CB-CB 4.2Å; L130-L215 HydrophobicContact CD1-CB 4.37Å; L130-I216 HydrophobicContact CD1-CG1 4.31Å; L130-Q219 HydrophobicContact CD2-CG 4.43Å
131K80Confident66.7Low96 Ų9658 Ų5842%0.41729%0.293SS..Hα-helixtrans-65.3-46.4178.4-176.7-178.3178.4178.30112.7L127 N128 Y129 C133 L134 L215L127-K131 PolarHBondContact O-N 2.99Å; N128-K131 WeakPolarHBondContact O-CB 3.35Å; N128-K131 PolarHBondContact O-N 2.91Å; Y129-K131 VanDerWaalsContact C-N 3.27Å; Y129-K131 PolarHBondContact O-N 3.37Å; K131-C133 PolarHBondContact O-N 3.48Å; K131-L134 PolarHBondContact O-N 3Å; K131-L215 HydrophobicContact CB-CD1 4.49Å; K131-L215 HydrophobicContact CB-CD2 3.83Å; K131-L215 HydrophobicContact CG-CD2 4.32Å
132V63.3Low64.1Low9 Ų956.8 Ų56.86%0.05529%0.287CS..Hα-helixtrans-58.6-38.9-179.7172.90000110.8E52 N128 Y129 L134 Q135 F136E52-V132 HydrophobicContact CB-CG1 3.74Å; E52-V132 HydrophobicContact CB-CG2 4.41Å; N128-V132 WeakPolarHBondContact O-CG2 3.37Å; N128-V132 PolarHBondContact O-N 3.29Å; N128-V132 VanDerWaalsContact O-N 3.09Å; Y129-V132 PolarHBondContact O-N 2.96Å; V132-L134 PolarHBondContact O-N 3.35Å; V132-L134 VanDerWaalsContact O-N 3.17Å; V132-Q135 PolarHBondContact O-N 3.39Å; V132-Q135 VanDerWaalsContact O-N 3.13Å; V132-F136 HydrophobicContact CG1-CD2 4.44Å; V132-F136 HydrophobicContact CG1-CE2 3.85Å; V132-F136 WeakPolarHBondContact O-CD2 3.45Å
133C58.2Low61.3Low3 Ų360.9 Ų60.92%0.0231%0.313CS..Hα-helixtrans-57.4-31.5177.6-64.40000113Y129 L130 K131 F179 T183 N187Y129-C133 PolarHBondContact O-N 2.88Å; Y129-C133 PolarHBondContact O-SG 3.16Å; L130-C133 WeakPolarHBondContact O-CB 3.42Å; K131-C133 PolarHBondContact O-N 3.48Å; C133-F179 HydrophobicContact CB-CE1 3.84Å; C133-F179 HydrophobicContact CB-CZ 4.24Å; C133-F179 WeakPolarHBondContact O-CZ 3.32Å; C133-T183 WeakPolarHBondContact SG-CG2 3.46Å; C133-N187 PolarHBondContact SG-ND2 3.47Å
134L59.4Low58.4Low47 Ų4766 Ų6625%0.24634%0.341CS..Hα-helixtrans-76.6-30.8-179.9-61172.4000113K131 V132 F136 K137 L215K131-L134 PolarHBondContact O-N 3Å; V132-L134 PolarHBondContact O-N 3.35Å; V132-L134 VanDerWaalsContact O-N 3.17Å; L134-F136 VanDerWaalsContact C-N 3.27Å; L134-F136 PolarHBondContact O-N 3.13Å; L134-K137 PolarHBondContact O-N 3.37Å; L134-K137 VanDerWaalsContact O-N 3.14Å; L134-L215 HydrophobicContact CD1-CD2 3.89Å
135Q49.7Very low55.5Low91 Ų9162.6 Ų62.643%0.42533%0.332SS..Hα-helixtrans-65.5-30.4179.8-69.5-175.9-29.100112.6V132 K137 S138V132-Q135 PolarHBondContact O-N 3.39Å; V132-Q135 VanDerWaalsContact O-N 3.13Å; Q135-K137 PolarHBondContact O-N 2.81Å; Q135-S138 PolarHBondContact O-N 3.38Å; Q135-S138 PolarHBondContact O-OG 3.46Å
136F39Very low52.6Low100 Ų10066.3 Ų66.344%0.43935%0.351SS..Hα-helixtrans-62.5-26.4175.4-75.8-75.4000112.7V132 L134V132-F136 HydrophobicContact CG1-CD2 4.44Å; V132-F136 HydrophobicContact CG1-CE2 3.85Å; V132-F136 WeakPolarHBondContact O-CD2 3.45Å; L134-F136 VanDerWaalsContact C-N 3.27Å; L134-F136 PolarHBondContact O-N 3.13Å
137K41.8Very low49.5Very low84 Ų8473.2 Ų73.237%0.36538%0.38SS..Hα-helixtrans-79.6-35.2179.7-140.4179.2-174.2-172.80113.2L134 Q135 N139 L140 L221L134-K137 PolarHBondContact O-N 3.37Å; L134-K137 VanDerWaalsContact O-N 3.14Å; Q135-K137 PolarHBondContact O-N 2.81Å; K137-N139 PolarHBondContact O-N 3.15Å; K137-L140 PolarHBondContact O-N 2.8Å; K137-L140 VanDerWaalsContact O-N 3.13Å; K137-L221 PolarHBondContact NZ-O 2.81Å
138S36.7Very low46.5Very low76 Ų7680.5 Ų80.553%0.53142%0.415SS..Hα-helixtrans-63.9-26.617948.90000113.1Q135 L140Q135-S138 PolarHBondContact O-N 3.38Å; Q135-S138 PolarHBondContact O-OG 3.46Å; S138-L140 VanDerWaalsContact C-N 3.31Å; S138-L140 PolarHBondContact O-N 2.86Å
139N29.3Very low43.6Very low117 Ų11783.3 Ų83.363%0.62643%0.429SS*.THydrogen-bonded Turntrans-72.7-22177-73-15.5000113.4K137 S145K137-N139 PolarHBondContact O-N 3.15Å; N139-S145 PolarHBondContact O-OG 3.09Å
140L30.1Very low40.8Very low118 Ų11886.7 Ų86.762%0.61845%0.454SS*.THydrogen-bonded Turntrans-84.7-25.7179.6-76.3160.3000113.3K137 S138 N142K137-L140 PolarHBondContact O-N 2.8Å; K137-L140 VanDerWaalsContact O-N 3.13Å; S138-L140 VanDerWaalsContact C-N 3.31Å; S138-L140 PolarHBondContact O-N 2.86Å; L140-N142 VanDerWaalsContact C-N 3.27Å; L140-N142 PolarHBondContact O-N 2.76Å
141N31.4Very low37.9Very low134 Ų13493 Ų9372%0.71749%0.487SS*.THydrogen-bonded Turntrans-85.16.5179.1-77.4-5.1000114P143N141-P143 WeakPolarHBondContact O-CD 3.29Å
142N31.2Very low35.2Very low83 Ų8393.3 Ų93.344%0.44450%0.501SS..  trans-79.4116.6177.3-159.4-9.1000109.4L140 N144 S145L140-N142 VanDerWaalsContact C-N 3.27Å; L140-N142 PolarHBondContact O-N 2.76Å; N142-N144 PolarHBondContact O-N 3.46Å; N142-S145 PolarHBondContact O-N 3.03Å; N142-S145 PolarHBondContact O-OG 3.48Å
143P29.5Very low33.2Very low86 Ų8696.7 Ų96.756%0.55853%0.525SS*.Hα-helixtrans-61.3-22.9-174.8-2232.7000113.6N141 S145 I146 K147N141-P143 WeakPolarHBondContact O-CD 3.29Å; P143-S145 VanDerWaalsContact C-N 3.33Å; P143-I146 PolarHBondContact O-N 3.24Å; P143-K147 PolarHBondContact O-N 3.25Å; P143-K147 VanDerWaalsContact O-N 3.11Å
144N32Very low31.5Very low112 Ų112102.6 Ų102.660%0.59956%0.56SS**Hα-helixtrans-68.1-32.2176.3-73.2-18.8000112.3N142 I146 K147 E148N142-N144 PolarHBondContact O-N 3.46Å; N144-I146 VanDerWaalsContact C-N 3.28Å; N144-I146 PolarHBondContact O-N 2.88Å; N144-K147 PolarHBondContact O-N 3.12Å; N144-E148 PolarHBondContact O-N 2.82Å
145S29.4Very low29.7Very low44 Ų44109.9 Ų109.931%0.30859%0.586SS.*Hα-helixtrans-67.3-32.7172.7-16.70000111.4N139 N142 P143 E148 L149N139-S145 PolarHBondContact O-OG 3.09Å; N142-S145 PolarHBondContact O-N 3.03Å; N142-S145 PolarHBondContact O-OG 3.48Å; P143-S145 VanDerWaalsContact C-N 3.33Å; S145-E148 PolarHBondContact O-N 3.3Å; S145-L149 PolarHBondContact O-N 3.11Å
146I26.5Very low28.4Very low103 Ų103111.3 Ų111.353%0.52860%0.601SS.*Hα-helixtrans-71.1-34.2177.3-55.9176.2000110.7P143 N144 L149 S150P143-I146 PolarHBondContact O-N 3.24Å; N144-I146 VanDerWaalsContact C-N 3.28Å; N144-I146 PolarHBondContact O-N 2.88Å; I146-L149 PolarHBondContact O-N 3Å; I146-S150 PolarHBondContact O-N 3.32Å
147K26.5Very low27.7Very low144 Ų144113.4 Ų113.463%0.62662%0.617SS**Hα-helixtrans-65.2-38.7175.5-90.6-174174.5-179.50112.9P143 N144 L149 S150 N151P143-K147 PolarHBondContact O-N 3.25Å; P143-K147 VanDerWaalsContact O-N 3.11Å; N144-K147 PolarHBondContact O-N 3.12Å; K147-L149 VanDerWaalsContact C-N 3.29Å; K147-L149 PolarHBondContact O-N 3.12Å; K147-S150 WeakPolarHBondContact CA-OG 3.31Å; K147-S150 PolarHBondContact O-N 3.14Å; K147-S150 PolarHBondContact O-OG 2.85Å; K147-N151 PolarHBondContact O-N 3.38Å
148E27.7Very low26.8Very low158 Ų158114.2 Ų114.274%0.73863%0.633SS**Hα-helixtrans-64.7-35.5174.6-76.1-175.6162.800111.8N144 S145N144-E148 PolarHBondContact O-N 2.82Å; S145-E148 PolarHBondContact O-N 3.3Å
149L25.3Very low26.2Very low135 Ų135116 Ų11671%0.70765%0.646SS**Hα-helixtrans-71.3-34.6174.1-77157.5000113.2S145 I146 K147 N151 C152S145-L149 PolarHBondContact O-N 3.11Å; I146-L149 PolarHBondContact O-N 3Å; K147-L149 VanDerWaalsContact C-N 3.29Å; K147-L149 PolarHBondContact O-N 3.12Å; L149-N151 PolarHBondContact O-N 3.38Å; L149-C152 PolarHBondContact O-N 2.82Å
150S24.6Very low25.9Very low81 Ų81116 Ų11657%0.56665%0.65SS**Hα-helixtrans-70.9-16.3-179.965.10000114.6I146 K147I146-S150 PolarHBondContact O-N 3.32Å; K147-S150 WeakPolarHBondContact CA-OG 3.31Å; K147-S150 PolarHBondContact O-N 3.14Å; K147-S150 PolarHBondContact O-OG 2.85Å
151N24.3Very low25.5Very low131 Ų131121.7 Ų121.770%0.70167%0.665SS**THydrogen-bonded Turntrans-85.4-6.2178.3-83.5-10.5000113.8K147 L149 S153K147-N151 PolarHBondContact O-N 3.38Å; L149-N151 PolarHBondContact O-N 3.38Å; N151-S153 PolarHBondContact O-N 3.03Å
152C22.9Very low25Very low104 Ų104120.2 Ų120.270%0.70366%0.661SS**  trans-80.772.2170.9-73.70000109.9L149 V154L149-C152 PolarHBondContact O-N 2.82Å; C152-V154 PolarHBondContact O-N 3.27Å
153S22.2Very low24.6Very low79 Ų79123 Ų12355%0.55268%0.681SS**  trans-65.9116.9170.1360000109.3N151 Y155N151-S153 PolarHBondContact O-N 3.03Å; S153-Y155 WeakPolarHBondContact O-CD2 3.13Å; S153-Y155 PolarHBondContact O-N 2.83Å
154V22.6Very low24.2Very low127 Ų127125.8 Ų125.877%0.7768%0.684SS**  trans-57.2102.5171.3177.90000108.1C152 T156C152-V154 PolarHBondContact O-N 3.27Å; V154-T156 HydrophobicContact CG1-CG2 4.17Å; V154-T156 PolarHBondContact O-N 2.88Å
155Y22.2Very low23.8Very low200 Ų200125.9 Ų125.978%0.78469%0.689SS**  trans-69.297.1169.6-81.3-88.2000108.5S153 N157S153-Y155 WeakPolarHBondContact O-CD2 3.13Å; S153-Y155 PolarHBondContact O-N 2.83Å; Y155-N157 PolarHBondContact O-N 2.95Å
156T21Very low23.7Very low122 Ų122128.7 Ų128.775%0.74871%0.709SS**  trans-73.775.4169.954.30000109.5V154 S158V154-T156 HydrophobicContact CG1-CG2 4.17Å; V154-T156 PolarHBondContact O-N 2.88Å; T156-S158 PolarHBondContact O-N 3.36Å
157N23.9Very low23.6Very low143 Ų143131.6 Ų131.677%0.76572%0.72SS**  trans-89.1102.5168-87.8-8.3000109.6Y155Y155-N157 PolarHBondContact O-N 2.95Å
158S23.6Very low23.6Very low101 Ų101131.2 Ų131.271%0.70672%0.72SS**  trans-43.8143.5162510000112.3T156T156-S158 PolarHBondContact O-N 3.36Å
159S24.9Very low23.4Very low115 Ų115129 Ų12980%0.80472%0.721SS**SBendtrans104.414.5149.376.10000122.3
160T22.9Very low23.4Very low117 Ų117127.6 Ų127.672%0.71871%0.714SS**  trans-141.7110.6164.244.50000113.4T162T160-T162 PolarHBondContact O-N 3.42Å
161Y20.9Very low23.4Very low236 Ų236128.1 Ų128.193%0.92572%0.716SS**  trans-71.678.6165.8-73.9-92.4000109.4
162T20.8Very low23.4Very low104 Ų104130.3 Ų130.364%0.63872%0.722SS**  trans-98.3100.3162.133.20000107.7T160 K164T160-T162 PolarHBondContact O-N 3.42Å; T162-K164 PolarHBondContact O-N 3.02Å
163V22.8Very low23.5Very low140 Ų140130.4 Ų130.485%0.84872%0.72SS**  trans-62.783.7164.6-1790000106.6T165V163-T165 PolarHBondContact O-N 2.98Å
164K21.5Very low23.6Very low145 Ų145133.8 Ų133.863%0.6373%0.725SS**  trans-72.7122.7170.8-85.1-179.3151.5-151.40107.2T162 E168T162-K164 PolarHBondContact O-N 3.02Å; K164-E168 WeakPolarHBondContact CD-OE2 3.16Å; K164-E168 IonicContact NZ-OE1 3.82Å; K164-E168 IonicContact NZ-OE2 2.79Å; K164-E168 PolarHBondContact NZ-OE2 3.38Å
165T23.8Very low24Very low114 Ų114134.3 Ų134.370%0.69972%0.723SS**  trans-48.6144.1179.744.50000111.6V163 E167V163-T165 PolarHBondContact O-N 2.98Å; T165-E167 PolarHBondContact O-N 3.19Å
166S26.2Very low24.4Very low104 Ų104128.9 Ų128.973%0.72771%0.71SS**THydrogen-bonded Turntrans-499.4-168.8500000119.6
167E25.3Very low25.1Very low163 Ų163129.3 Ų129.376%0.76270%0.703SS**THydrogen-bonded Turntrans-95.1-30-177.9-69.6-174158.700113.5T165T165-E167 PolarHBondContact O-N 3.19Å
168E25.8Very low25.9Very low136 Ų136126.3 Ų126.364%0.63669%0.687SS**G310 helixtrans-80.9-21.9-177.9-71.9-176.4165.100113.3K164 L170K164-E168 WeakPolarHBondContact CD-OE2 3.16Å; K164-E168 IonicContact NZ-OE1 3.82Å; K164-E168 IonicContact NZ-OE2 2.79Å; K164-E168 PolarHBondContact NZ-OE2 3.38Å; E168-L170 VanDerWaalsContact C-N 3.27Å; E168-L170 PolarHBondContact O-N 3.11Å
169C24.2Very low27.2Very low112 Ų112123.9 Ų123.976%0.75766%0.664SS**G310 helixtrans-79.9-7.4177.5-137.90000113.3C171C169-C171 VanDerWaalsContact C-N 3.33Å; C169-C171 PolarHBondContact O-N 3.04Å
170L24.2Very low29Very low105 Ų105121.7 Ų121.755%0.5564%0.643SS.*G310 helixtrans-83.6-3.1-176.2-143.181.9000114.2E168E168-L170 VanDerWaalsContact C-N 3.27Å; E168-L170 PolarHBondContact O-N 3.11Å
171C24.9Very low31.2Very low92 Ų92119.1 Ų119.162%0.62262%0.623SS**SBendtrans-90.5-26.1-176.2-87.10000114.4C169C169-C171 VanDerWaalsContact C-N 3.33Å; C169-C171 PolarHBondContact O-N 3.04Å
172E25.2Very low33.6Very low177 Ų177109.5 Ų109.583%0.82759%0.588SS**SBendtrans-87.5-22.8-174.6-71.4-173.816400113.9
173T24Very low36.2Very low106 Ų106105.4 Ų105.465%0.6556%0.562SS**G310 helixtrans-81-9.1175.3280000114.4L175T173-L175 VanDerWaalsContact C-N 3.29Å; T173-L175 PolarHBondContact O-N 3.43Å
174K25.9Very low38.9Very low151 Ų15198.8 Ų98.866%0.65752%0.523SS*.G310 helixtrans-74.8-9.5-177.6-85.9-178.1177.8174.20115.6
175L29.3Very low41.8Very low138 Ų13897.3 Ų97.372%0.72351%0.513SS*.G310 helixtrans-99.2-11.4-174.5-93.2153.3000114.7T173 H177T173-L175 VanDerWaalsContact C-N 3.29Å; T173-L175 PolarHBondContact O-N 3.43Å; L175-H177 PolarHBondContact O-N 3.25Å
176V31.5Very low44.8Very low85 Ų8592 Ų9252%0.51548%0.48SS..SBendtrans-78.188.7163.7-173.50000105.4D178 V228V176-D178 PolarHBondContact O-N 2.58Å; V176-V228 HydrophobicContact CG1-CG2 4.43Å
177H34.6Very low47.7Very low132 Ų13287 Ų8761%0.61145%0.445SS*.  trans-6277.5167.6-85.9-77.2000108.2L175 F179L175-H177 PolarHBondContact O-N 3.25Å; H177-F179 PolarHBondContact O-N 2.8Å
178D41.2Very low50.8Low80 Ų8080.5 Ų80.543%0.42842%0.416SS..  trans-42.5128.8150.4-75.2-28.7000106V176 D180V176-D178 PolarHBondContact O-N 2.58Å; D178-D180 PolarHBondContact O-N 3.22Å
179F50.6Low53.9Low50 Ų5074.1 Ų74.122%0.21939%0.386CS..  trans-53115.6170.4-98.6-86.5000106.9C133 H177 Q181 T183 I184 I222C133-F179 HydrophobicContact CB-CE1 3.84Å; C133-F179 HydrophobicContact CB-CZ 4.24Å; C133-F179 WeakPolarHBondContact O-CZ 3.32Å; H177-F179 PolarHBondContact O-N 2.8Å; F179-Q181 PolarHBondContact O-N 3.18Å; F179-T183 HydrophobicContact CD1-CG2 3.66Å; F179-T183 HydrophobicContact CE1-CG2 3.94Å; F179-I184 HydrophobicContact CB-CD1 3.99Å; F179-I184 HydrophobicContact CB-CG1 3.88Å; F179-I222 HydrophobicContact CD2-CG2 4.13Å; F179-I222 HydrophobicContact CE2-CG2 4.24Å
180D64.1Low57.2Low69 Ų6968.8 Ų68.837%0.36935%0.35SS..  trans-48.2130.5176.9179.94.8000108.1D178 D182 T183 I184D178-D180 PolarHBondContact O-N 3.22Å; D180-D182 PolarHBondContact O-N 3.02Å; D180-D182 PolarHBondContact OD1-N 3.25Å; D180-T183 WeakPolarHBondContact O-CA 3.47Å; D180-T183 VanDerWaalsContact O-CB 3.3Å; D180-T183 WeakPolarHBondContact O-CB 3.12Å; D180-T183 PolarHBondContact O-N 3.24Å; D180-I184 PolarHBondContact O-N 3.45Å
181Q68.8Low60.5Low62 Ų6263.8 Ų63.829%0.2932%0.323SS..Hα-helixtrans-52.2-33-179.1-71.4-62.1-41.100110.9F179 T183 I184 R185 Y224 N261F179-Q181 PolarHBondContact O-N 3.18Å; Q181-T183 VanDerWaalsContact C-N 3.34Å; Q181-T183 PolarHBondContact O-N 2.85Å; Q181-I184 PolarHBondContact O-N 3.36Å; Q181-R185 VanDerWaalsContact O-CB 3.28Å; Q181-R185 WeakPolarHBondContact O-CB 3.44Å; Q181-R185 PolarHBondContact O-N 2.9Å; Q181-Y224 PolarHBondContact NE2-OH 3Å; Q181-N261 PolarHBondContact OE1-ND2 2.92Å
182D71.5Confident63.7Low34 Ų3459.8 Ų59.818%0.18230%0.298CS..Hα-helixtrans-62.9-36.7173.9-85.1-10.6000112.8T95 T98 D180 R186T95-D182 WeakPolarHBondContact CB-OD2 3.25Å; T95-D182 PolarHBondContact OG1-OD2 3.49Å; T98-D182 PolarHBondContact OG1-O 2.98Å; D180-D182 PolarHBondContact O-N 3.02Å; D180-D182 PolarHBondContact OD1-N 3.25Å; D182-R186 WeakPolarHBondContact O-CB 3.36Å; D182-R186 PolarHBondContact O-N 3.19Å
183T75.6Confident66.9Low18 Ų1851.4 Ų51.411%0.1126%0.259CS..Hα-helixtrans-68.7-43.5175.6-61.60000111.5C133 F179 D180 Q181 R186 N187C133-T183 WeakPolarHBondContact SG-CG2 3.46Å; F179-T183 HydrophobicContact CD1-CG2 3.66Å; F179-T183 HydrophobicContact CE1-CG2 3.94Å; D180-T183 WeakPolarHBondContact O-CA 3.47Å; D180-T183 VanDerWaalsContact O-CB 3.3Å; D180-T183 WeakPolarHBondContact O-CB 3.12Å; D180-T183 PolarHBondContact O-N 3.24Å; Q181-T183 VanDerWaalsContact C-N 3.34Å; Q181-T183 PolarHBondContact O-N 2.85Å; T183-R186 WeakPolarHBondContact O-CB 3.41Å; T183-R186 PolarHBondContact O-N 3.18Å; T183-N187 VanDerWaalsContact O-CG 3.27Å; T183-N187 PolarHBondContact O-N 3.44Å; T183-N187 PolarHBondContact O-OD1 2.64Å
184I78.7Confident70.3Confident2 Ų246.3 Ų46.31%0.0123%0.228CC..Hα-helixtrans-62.5-48.9176.6-59.3176.6000109.3F179 D180 Q181 R186 N187 I188 Y224 N261 I262 L265F179-I184 HydrophobicContact CB-CD1 3.99Å; F179-I184 HydrophobicContact CB-CG1 3.88Å; D180-I184 PolarHBondContact O-N 3.45Å; Q181-I184 PolarHBondContact O-N 3.36Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 2.88Å; I184-N187 PolarHBondContact O-N 2.88Å; I184-N187 VanDerWaalsContact O-N 3.09Å; I184-I188 HydrophobicContact CG2-CD1 4.17Å; I184-I188 HydrophobicContact CG2-CG1 4.46Å; I184-I188 VanDerWaalsContact O-CG1 3.3Å; I184-I188 WeakPolarHBondContact O-CG1 3.41Å; I184-I188 PolarHBondContact O-N 2.63Å; I184-Y224 HydrophobicContact CD1-CE2 4.1Å; I184-N261 HydrophobicContact CG2-CB 3.8Å; I184-I262 HydrophobicContact CD1-CD1 4.2Å; I184-I262 HydrophobicContact CD1-CG1 3.92Å; I184-I262 HydrophobicContact CG2-CG1 4.34Å; I184-L265 HydrophobicContact CG2-CB 4.42Å; I184-L265 HydrophobicContact CG2-CD2 4.41Å
185R82.1Confident73.4Confident114 Ų11439.3 Ų39.343%0.4320%0.198SC..Hα-helixtrans-58.2-41.1177.8-171.1177.1-174.2175.74.4112.6T98 Q181 S189T98-R185 HydrophobicContact CG2-CB 4.46Å; T98-R185 HydrophobicContact CG2-CG 4.41Å; Q181-R185 VanDerWaalsContact O-CB 3.28Å; Q181-R185 WeakPolarHBondContact O-CB 3.44Å; Q181-R185 PolarHBondContact O-N 2.9Å; R185-S189 PolarHBondContact O-N 3.3Å
186R86.7Confident76.2Confident2 Ų235.1 Ų35.11%0.00817%0.174CC..Hα-helixtrans-61.5-46.8173.6178.6175.567.4-176.211.5111.7E52 T98 I101 D182 T183 I184 S189 I190E52-R186 IonicContact OE1-CZ 2.58Å; E52-R186 IonicContact OE1-NH1 2.94Å; E52-R186 PolarHBondContact OE1-NH1 3.43Å; E52-R186 IonicContact OE1-NH2 2.65Å; E52-R186 IonicContact OE2-CZ 3.43Å; E52-R186 IonicContact OE2-NH1 2.71Å; E52-R186 IonicContact OE2-NH2 2.8Å; E52-R186 PolarHBondContact OE2-NH2 3.47Å; T98-R186 HydrophobicContact CG2-CB 4.19Å; I101-R186 HydrophobicContact CD1-CG 3.55Å; D182-R186 WeakPolarHBondContact O-CB 3.36Å; D182-R186 PolarHBondContact O-N 3.19Å; T183-R186 WeakPolarHBondContact O-CB 3.41Å; T183-R186 PolarHBondContact O-N 3.18Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 2.88Å; R186-S189 PolarHBondContact O-N 3.18Å; R186-I190 HydrophobicContact CG-CD1 3.95Å; R186-I190 WeakPolarHBondContact O-CG1 3.22Å; R186-I190 PolarHBondContact O-N 3.07Å
187N88.4Confident79Confident0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-67.1-36.9-179.2-68.64.5000112L130 C133 T183 I184 S189 I190 C191 Q219 L265L130-N187 HydrophobicContact CD2-CB 3.87Å; C133-N187 PolarHBondContact SG-ND2 3.47Å; T183-N187 VanDerWaalsContact O-CG 3.27Å; T183-N187 PolarHBondContact O-N 3.44Å; T183-N187 PolarHBondContact O-OD1 2.64Å; I184-N187 PolarHBondContact O-N 2.88Å; I184-N187 VanDerWaalsContact O-N 3.09Å; N187-S189 VanDerWaalsContact C-N 3.33Å; N187-S189 PolarHBondContact O-N 3.22Å; N187-I190 PolarHBondContact O-N 2.91Å; N187-C191 PolarHBondContact O-N 3.44Å; N187-Q219 PolarHBondContact ND2-OE1 2.94Å; N187-L265 HydrophobicContact CB-CD1 3.74Å
188I89.9Confident81.6Confident26 Ų2624.8 Ų24.813%0.13312%0.121CC..Hα-helixtrans-53.2-53.5170.8-69.2168.6000109.7I184 I190 C191 G192 N261 H264 L265I184-I188 HydrophobicContact CG2-CD1 4.17Å; I184-I188 HydrophobicContact CG2-CG1 4.46Å; I184-I188 VanDerWaalsContact O-CG1 3.3Å; I184-I188 WeakPolarHBondContact O-CG1 3.41Å; I184-I188 PolarHBondContact O-N 2.63Å; I188-I190 PolarHBondContact O-N 3.09Å; I188-C191 PolarHBondContact O-N 3.37Å; I188-G192 PolarHBondContact O-N 3.27Å; I188-N261 HydrophobicContact CD1-CB 4.26Å; I188-N261 VanDerWaalsContact CD1-O 3.28Å; I188-N261 WeakPolarHBondContact CD1-O 3.47Å; I188-H264 HydrophobicContact CD1-CB 3.95Å; I188-H264 HydrophobicContact CG1-CB 4.5Å; I188-L265 HydrophobicContact CG1-CB 3.83Å; I188-L265 HydrophobicContact CG1-CD1 4.22Å
189S90Very high83.6Confident1 Ų125.1 Ų25.11%0.00712%0.121CC..Hα-helixtrans-64.5-38.9-178.2-171.80000112.5E105 R185 R186 N187 G192 I193E105-S189 WeakPolarHBondContact CB-OG 3.46Å; E105-S189 WeakPolarHBondContact OE2-CA 3.46Å; E105-S189 VanDerWaalsContact OE2-CB 3.27Å; E105-S189 WeakPolarHBondContact OE2-CB 3.35Å; E105-S189 PolarHBondContact OE2-OG 3.31Å; R185-S189 PolarHBondContact O-N 3.3Å; R186-S189 PolarHBondContact O-N 3.18Å; N187-S189 VanDerWaalsContact C-N 3.33Å; N187-S189 PolarHBondContact O-N 3.22Å; S189-G192 PolarHBondContact O-N 3.06Å; S189-I193 VanDerWaalsContact O-CG1 3.32Å; S189-I193 WeakPolarHBondContact O-CG1 3.27Å; S189-I193 PolarHBondContact O-N 3.45Å
190I93.7Very high85.1Confident0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-61.3-48.1174-68.3165.5000110.8I101 L126 Y129 L130 R186 N187 I188 G192 I193 L194I101-I190 HydrophobicContact CD1-CD1 4.37Å; I101-I190 HydrophobicContact CG2-CG1 3.89Å; L126-I190 HydrophobicContact CB-CG1 4.3Å; L126-I190 HydrophobicContact CB-CG2 3.95Å; L126-I190 HydrophobicContact CD2-CG1 4.24Å; Y129-I190 HydrophobicContact CG-CD1 4.48Å; L130-I190 HydrophobicContact CD1-CG2 3.83Å; L130-I190 HydrophobicContact CD2-CB 4.14Å; L130-I190 HydrophobicContact CD2-CD1 3.98Å; L130-I190 HydrophobicContact CD2-CG2 3.95Å; L130-I190 HydrophobicContact CG-CD1 4.4Å; L130-I190 HydrophobicContact CG-CG2 3.8Å; R186-I190 HydrophobicContact CG-CD1 3.95Å; R186-I190 WeakPolarHBondContact O-CG1 3.22Å; R186-I190 PolarHBondContact O-N 3.07Å; N187-I190 PolarHBondContact O-N 2.91Å; I188-I190 PolarHBondContact O-N 3.09Å; I190-G192 VanDerWaalsContact C-N 3.29Å; I190-G192 PolarHBondContact O-N 3.17Å; I190-I193 PolarHBondContact O-N 3.49Å; I190-L194 HydrophobicContact CG2-CD1 3.7Å; I190-L194 HydrophobicContact CG2-CG 4.24Å; I190-L194 WeakPolarHBondContact O-CB 3.46Å; I190-L194 VanDerWaalsContact O-CG 3.25Å; I190-L194 WeakPolarHBondContact O-CG 3.25Å; I190-L194 PolarHBondContact O-N 3.14Å
191C94.1Very high85.8Confident0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-61.1-39.6176.3-740000111.4N187 I188 L194 S195 N268N187-C191 PolarHBondContact O-N 3.44Å; I188-C191 PolarHBondContact O-N 3.37Å; C191-L194 PolarHBondContact O-N 2.84Å; C191-S195 WeakPolarHBondContact O-CB 3.22Å; C191-S195 PolarHBondContact O-N 2.86Å; C191-N268 HydrophobicContact CB-CB 3.76Å
192G91.5Very high86.5Confident9 Ų929 Ų299%0.09314%0.141CC..Hα-helixtrans-59.6-46.9173.300000113.2I188 S189 I190 S195 Q196I188-G192 PolarHBondContact O-N 3.27Å; S189-G192 PolarHBondContact O-N 3.06Å; I190-G192 VanDerWaalsContact C-N 3.29Å; I190-G192 PolarHBondContact O-N 3.17Å; G192-S195 WeakPolarHBondContact O-CB 3.23Å; G192-S195 PolarHBondContact O-N 3.12Å; G192-Q196 PolarHBondContact O-N 2.91Å
193I93.5Very high87.3Confident0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-59.1-51.3174.7-72.1165.4000111.3I101 L104 E105 I108 F117 L126 S189 I190 S195 Q196 L197I101-I193 HydrophobicContact CG2-CD1 4.18Å; L104-I193 HydrophobicContact CB-CD1 4.12Å; E105-I193 VanDerWaalsContact CA-CG1 3.48Å; E105-I193 HydrophobicContact CB-CD1 3.94Å; E105-I193 HydrophobicContact CB-CG1 3.63Å; E105-I193 HydrophobicContact CG-CG1 3.97Å; I108-I193 HydrophobicContact CD1-CB 4.4Å; I108-I193 HydrophobicContact CD1-CD1 4.39Å; I108-I193 HydrophobicContact CD1-CG1 4.18Å; I108-I193 HydrophobicContact CD1-CG2 3.38Å; I108-I193 HydrophobicContact CG2-CG2 4.46Å; F117-I193 HydrophobicContact CZ-CG2 4.39Å; L126-I193 HydrophobicContact CD1-CB 4.06Å; L126-I193 HydrophobicContact CD1-CD1 3.63Å; L126-I193 HydrophobicContact CD1-CG1 4.43Å; L126-I193 HydrophobicContact CD1-CG2 3.61Å; S189-I193 VanDerWaalsContact O-CG1 3.32Å; S189-I193 WeakPolarHBondContact O-CG1 3.27Å; S189-I193 PolarHBondContact O-N 3.45Å; I190-I193 PolarHBondContact O-N 3.49Å; I193-S195 VanDerWaalsContact C-N 3.3Å; I193-S195 PolarHBondContact O-N 3.13Å; I193-Q196 PolarHBondContact O-N 2.96Å; I193-Q196 VanDerWaalsContact O-N 3.14Å; I193-L197 HydrophobicContact CG2-CD1 3.94Å; I193-L197 HydrophobicContact CG2-CG 4.47Å; I193-L197 WeakPolarHBondContact O-CG 3.26Å; I193-L197 PolarHBondContact O-N 3.4Å
194L94.5Very high87.8Confident0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-65-38.7-177-66.5172.3000110.9I123 L127 L130 I190 C191 L197 A198 V207 I216I123-L194 HydrophobicContact CG2-CD2 4.16Å; L127-L194 HydrophobicContact CD2-CD1 3.57Å; L127-L194 HydrophobicContact CG-CD1 4.34Å; L130-L194 HydrophobicContact CD1-CD1 4.32Å; I190-L194 HydrophobicContact CG2-CD1 3.7Å; I190-L194 HydrophobicContact CG2-CG 4.24Å; I190-L194 WeakPolarHBondContact O-CB 3.46Å; I190-L194 VanDerWaalsContact O-CG 3.25Å; I190-L194 WeakPolarHBondContact O-CG 3.25Å; I190-L194 PolarHBondContact O-N 3.14Å; C191-L194 PolarHBondContact O-N 2.84Å; L194-L197 PolarHBondContact O-N 2.95Å; L194-A198 VanDerWaalsContact O-CB 3.23Å; L194-A198 WeakPolarHBondContact O-CB 3.31Å; L194-A198 PolarHBondContact O-N 2.84Å; L194-V207 HydrophobicContact CD2-CG1 4.4Å; L194-V207 HydrophobicContact CD2-CG2 3.85Å; L194-I216 HydrophobicContact CB-CD1 4.29Å; L194-I216 HydrophobicContact CD1-CD1 3.94Å; L194-I216 HydrophobicContact CD1-CG1 4.06Å
195S90.8Very high88.1Confident3 Ų329.7 Ų29.72%0.02114%0.142CC..Hα-helixtrans-57.1-46.8170.9175.80000111.3C191 G192 I193 A198 C271 R275C191-S195 WeakPolarHBondContact O-CB 3.22Å; C191-S195 PolarHBondContact O-N 2.86Å; G192-S195 WeakPolarHBondContact O-CB 3.23Å; G192-S195 PolarHBondContact O-N 3.12Å; I193-S195 VanDerWaalsContact C-N 3.3Å; I193-S195 PolarHBondContact O-N 3.13Å; S195-A198 PolarHBondContact O-N 2.74Å; S195-C271 PolarHBondContact OG-SG 3.22Å; S195-R275 WeakPolarHBondContact O-CD 3.36Å; S195-R275 PolarHBondContact O-NH1 3.36Å; S195-R275 WeakPolarHBondContact OG-CD 3.41Å; S195-R275 VanDerWaalsContact OG-CZ 3.27Å; S195-R275 PolarHBondContact OG-NE 2.89Å; S195-R275 PolarHBondContact OG-NH1 3.37Å
196Q88.7Confident88.4Confident50 Ų5026 Ų2623%0.23413%0.13CC..Hα-helixtrans-65.5-42.4178.7-177.116132.400112.9I108 G192 I193 A198 M199I108-Q196 HydrophobicContact CG2-CG 4.41Å; G192-Q196 PolarHBondContact O-N 2.91Å; I193-Q196 PolarHBondContact O-N 2.96Å; I193-Q196 VanDerWaalsContact O-N 3.14Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-M199 WeakPolarHBondContact O-CB 3.48Å; Q196-M199 PolarHBondContact O-N 3.42Å
197L90.9Very high88.6Confident1 Ų125.9 Ų25.91%0.00513%0.13CC..Hα-helixtrans-66.3-37.6177.8-69.4174.4000111.8I108 Q114 F117 I123 I193 L194 M199 N200 Y203I108-L197 HydrophobicContact CG2-CD2 3.81Å; I108-L197 HydrophobicContact CG2-CG 4Å; Q114-L197 HydrophobicContact CB-CD2 3.93Å; Q114-L197 HydrophobicContact CG-CD2 3.85Å; F117-L197 HydrophobicContact CD1-CD1 4Å; F117-L197 HydrophobicContact CE1-CD1 3.75Å; I123-L197 HydrophobicContact CD1-CD1 4.15Å; I123-L197 HydrophobicContact CG1-CD1 3.86Å; I193-L197 HydrophobicContact CG2-CD1 3.94Å; I193-L197 HydrophobicContact CG2-CG 4.47Å; I193-L197 WeakPolarHBondContact O-CG 3.26Å; I193-L197 PolarHBondContact O-N 3.4Å; L194-L197 PolarHBondContact O-N 2.95Å; L197-M199 PolarHBondContact O-N 3.01Å; L197-N200 PolarHBondContact O-N 2.97Å; L197-N200 VanDerWaalsContact O-N 3.1Å; L197-Y203 HydrophobicContact CB-CG 4.43Å; L197-Y203 HydrophobicContact CD2-CD1 4.24Å; L197-Y203 HydrophobicContact CD2-CE1 4.41Å; L197-Y203 HydrophobicContact CD2-CG 4.37Å; L197-Y203 WeakPolarHBondContact O-CB 3.43Å
198A88.8Confident88.5Confident0 Ų026.3 Ų26.30%013%0.133CC..THydrogen-bonded Turntrans-63.1-9-18000000114.4L194 S195 Q196 N200 A204 R275 L276L194-A198 VanDerWaalsContact O-CB 3.23Å; L194-A198 WeakPolarHBondContact O-CB 3.31Å; L194-A198 PolarHBondContact O-N 2.84Å; S195-A198 PolarHBondContact O-N 2.74Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; A198-N200 PolarHBondContact O-N 3Å; A198-A204 HydrophobicContact CB-CB 4.42Å; A198-R275 HydrophobicContact CB-CB 3.91Å; A198-L276 HydrophobicContact CB-CD2 3.72Å; A198-L276 HydrophobicContact CB-CG 3.89Å
199M82.9Confident88.3Confident86 Ų8631.7 Ų31.742%0.42415%0.152SC..THydrogen-bonded Turntrans-66.4-12.9170.5-62.4-78.863.900114.3Q196 L197 R275 I278 I303Q196-M199 WeakPolarHBondContact O-CB 3.48Å; Q196-M199 PolarHBondContact O-N 3.42Å; L197-M199 PolarHBondContact O-N 3.01Å; M199-R275 HydrophobicContact CE-CB 3.69Å; M199-R275 VanDerWaalsContact CE-CD 3.45Å; M199-R275 HydrophobicContact CE-CG 3.38Å; M199-R275 VanDerWaalsContact SD-CD 3.57Å; M199-R275 HydrophobicContact SD-CG 4.13Å; M199-I278 HydrophobicContact CE-CD1 3.43Å; M199-I278 VanDerWaalsContact CE-CD1 3.43Å; M199-I303 HydrophobicContact CE-CG2 3.76Å; M199-I303 HydrophobicContact SD-CG2 4.09Å
200N82.8Confident88.2Confident76 Ų7635.2 Ų35.241%0.40617%0.168SC..SBendtrans-117.9122.7173.1169.3-32.4000108.9L197 A198 F202 Y203 A204L197-N200 PolarHBondContact O-N 2.97Å; L197-N200 VanDerWaalsContact O-N 3.1Å; A198-N200 PolarHBondContact O-N 3Å; N200-F202 PolarHBondContact O-N 2.89Å; N200-F202 VanDerWaalsContact O-N 3.07Å; N200-F202 VanDerWaalsContact OD1-CB 3.23Å; N200-F202 WeakPolarHBondContact OD1-CB 3.15Å; N200-F202 PolarHBondContact OD1-N 3.34Å; N200-Y203 HydrophobicContact CB-CD2 3.76Å; N200-Y203 HydrophobicContact CB-CE2 4.29Å; N200-Y203 PolarHBondContact O-N 2.83Å; N200-A204 PolarHBondContact O-N 2.85Å
201D79.1Confident87.9Confident87 Ų8735.8 Ų35.847%0.46517%0.171SC..Hα-helixtrans-52.1-35.3-174.7-70.3-21.9000112.9A204 Q205D201-A204 PolarHBondContact O-N 2.77Å; D201-Q205 VanDerWaalsContact O-CG 3.31Å; D201-Q205 WeakPolarHBondContact O-CG 3.42Å; D201-Q205 PolarHBondContact O-N 3.01Å
202F82.7Confident87.8Confident99 Ų9935.8 Ų35.843%0.43417%0.171SC..Hα-helixtrans-63.6-43.3178.2-179.1-92.2000112N200 I206N200-F202 PolarHBondContact O-N 2.89Å; N200-F202 VanDerWaalsContact O-N 3.07Å; N200-F202 VanDerWaalsContact OD1-CB 3.23Å; N200-F202 WeakPolarHBondContact OD1-CB 3.15Å; N200-F202 PolarHBondContact OD1-N 3.34Å; F202-I206 HydrophobicContact CD1-CD1 4.06Å; F202-I206 HydrophobicContact CE1-CD1 3.53Å; F202-I206 HydrophobicContact CZ-CD1 4.12Å; F202-I206 WeakPolarHBondContact O-CG1 3.47Å; F202-I206 PolarHBondContact O-N 2.9Å
203Y88.1Confident87.8Confident15 Ų1535.7 Ų35.76%0.05917%0.168CC..Hα-helixtrans-75.3-35.4175.7-61.6-82.9000111.4Q114 K115 R118 I123 L197 N200 Q205 I206 V207Q114-Y203 HydrophobicContact CB-CE1 4.45Å; Q114-Y203 HydrophobicContact CB-CE2 4.5Å; Q114-Y203 WeakPolarHBondContact CB-OH 3.47Å; K115-Y203 PolarHBondContact N-OH 3.5Å; R118-Y203 HydrophobicContact CB-CD1 4.45Å; R118-Y203 HydrophobicContact CB-CE1 3.85Å; R118-Y203 HydrophobicContact CG-CE1 4.27Å; I123-Y203 HydrophobicContact CD1-CD1 4.14Å; L197-Y203 HydrophobicContact CB-CG 4.43Å; L197-Y203 HydrophobicContact CD2-CD1 4.24Å; L197-Y203 HydrophobicContact CD2-CE1 4.41Å; L197-Y203 HydrophobicContact CD2-CG 4.37Å; L197-Y203 WeakPolarHBondContact O-CB 3.43Å; N200-Y203 HydrophobicContact CB-CD2 3.76Å; N200-Y203 HydrophobicContact CB-CE2 4.29Å; N200-Y203 PolarHBondContact O-N 2.83Å; Y203-Q205 PolarHBondContact O-N 2.78Å; Y203-I206 PolarHBondContact O-N 3.4Å; Y203-V207 WeakPolarHBondContact O-CG2 3.43Å; Y203-V207 PolarHBondContact O-N 3.48Å
204A87.1Confident87.6Confident0 Ų036.8 Ų36.80%017%0.173CC..Hα-helixtrans-56.6-38.917400000111.8A198 N200 D201 A208 L276 N282A198-A204 HydrophobicContact CB-CB 4.42Å; N200-A204 PolarHBondContact O-N 2.85Å; D201-A204 PolarHBondContact O-N 2.77Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.03Å; A204-L276 HydrophobicContact CB-CD2 3.92Å; A204-N282 PolarHBondContact O-ND2 3.2Å
205Q83.9Confident87.5Confident55 Ų5537.1 Ų37.126%0.25718%0.175SC..Hα-helixtrans-64.7-40.1172.9-74.5174.5100112.6D201 Y203 A208 R209D201-Q205 VanDerWaalsContact O-CG 3.31Å; D201-Q205 WeakPolarHBondContact O-CG 3.42Å; D201-Q205 PolarHBondContact O-N 3.01Å; Y203-Q205 PolarHBondContact O-N 2.78Å; Q205-A208 PolarHBondContact O-N 3.25Å; Q205-R209 WeakPolarHBondContact O-CB 3.33Å; Q205-R209 VanDerWaalsContact O-CG 3.27Å; Q205-R209 WeakPolarHBondContact O-CG 3.44Å; Q205-R209 PolarHBondContact O-N 2.72Å
206I87.7Confident87.6Confident36 Ų3637 Ų3719%0.18517%0.174CC..Hα-helixtrans-65.8-45.4176.8-63.5169.9000110.7R118 I123 F202 Y203 A208 R209 E210R118-I206 HydrophobicContact CG-CD1 3.95Å; I123-I206 HydrophobicContact CB-CG2 4.32Å; I123-I206 HydrophobicContact CD1-CB 4.04Å; I123-I206 HydrophobicContact CD1-CG2 3.72Å; I123-I206 HydrophobicContact CG2-CG2 4.19Å; F202-I206 HydrophobicContact CD1-CD1 4.06Å; F202-I206 HydrophobicContact CE1-CD1 3.53Å; F202-I206 HydrophobicContact CZ-CD1 4.12Å; F202-I206 WeakPolarHBondContact O-CG1 3.47Å; F202-I206 PolarHBondContact O-N 2.9Å; Y203-I206 PolarHBondContact O-N 3.4Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.32Å; I206-R209 PolarHBondContact O-N 3.47Å; I206-E210 HydrophobicContact CG2-CG 4.37Å; I206-E210 PolarHBondContact O-N 3.36Å
207V91.2Very high87.7Confident0 Ų034.6 Ų34.60%016%0.163CC..Hα-helixtrans-57-46.2176.8175.40000110.2I123 L194 Y203 E210 G212 I216 L276I123-V207 HydrophobicContact CD1-CG2 4.26Å; I123-V207 HydrophobicContact CG2-CG2 3.9Å; L194-V207 HydrophobicContact CD2-CG1 4.4Å; L194-V207 HydrophobicContact CD2-CG2 3.85Å; Y203-V207 WeakPolarHBondContact O-CG2 3.43Å; Y203-V207 PolarHBondContact O-N 3.48Å; V207-E210 PolarHBondContact O-N 3.43Å; V207-G212 WeakPolarHBondContact O-CA 3.27Å; V207-G212 PolarHBondContact O-N 3.18Å; V207-I216 HydrophobicContact CG1-CD1 4.24Å; V207-L276 HydrophobicContact CB-CD2 4.01Å; V207-L276 HydrophobicContact CG1-CD1 4Å; V207-L276 HydrophobicContact CG1-CD2 3.96Å
208A87.1Confident87.6Confident8 Ų834.8 Ų34.87%0.06616%0.164CC..Hα-helixtrans-62.8-46.7176.800000112.5A204 Q205 I206 E210 N211 I213 N282 I339A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.03Å; Q205-A208 PolarHBondContact O-N 3.25Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.32Å; A208-E210 VanDerWaalsContact C-N 3.27Å; A208-E210 PolarHBondContact O-N 2.94Å; A208-N211 PolarHBondContact O-N 3.16Å; A208-I213 HydrophobicContact CB-CD1 3.93Å; A208-I213 HydrophobicContact CB-CG1 4.41Å; A208-N282 WeakPolarHBondContact CB-OD1 3.02Å; A208-I339 VanDerWaalsContact O-CD1 3.28Å; A208-I339 WeakPolarHBondContact O-CD1 3.38Å
209R84.6Confident87.6Confident140 Ų14034.8 Ų34.853%0.52816%0.164SC..Hα-helixtrans-60.3-33178.8-76.8175.2179.1173.52.4113.4Q205 I206 N211 I339 E497Q205-R209 WeakPolarHBondContact O-CB 3.33Å; Q205-R209 VanDerWaalsContact O-CG 3.27Å; Q205-R209 WeakPolarHBondContact O-CG 3.44Å; Q205-R209 PolarHBondContact O-N 2.72Å; I206-R209 PolarHBondContact O-N 3.47Å; R209-N211 PolarHBondContact O-N 2.97Å; R209-I339 WeakPolarHBondContact O-CD1 3.39Å; R209-E497 IonicContact NH2-OE2 2.78Å
210E88Confident87.9Confident74 Ų7430.8 Ų30.835%0.34615%0.145SC..THydrogen-bonded Turntrans-87.323177-65.5-68.6156.300112.9K124 L127 I206 V207 A208 G212K124-E210 HydrophobicContact CB-CG 4.38Å; K124-E210 WeakPolarHBondContact CD-OE2 3.44Å; K124-E210 WeakPolarHBondContact CG-OE2 3.41Å; L127-E210 HydrophobicContact CD1-CB 3.56Å; L127-E210 WeakPolarHBondContact CD1-O 3.12Å; I206-E210 HydrophobicContact CG2-CG 4.37Å; I206-E210 PolarHBondContact O-N 3.36Å; V207-E210 PolarHBondContact O-N 3.43Å; A208-E210 VanDerWaalsContact C-N 3.27Å; A208-E210 PolarHBondContact O-N 2.94Å; E210-G212 PolarHBondContact O-N 2.97Å
211N88.7Confident87.9Confident13 Ų1328.3 Ų28.37%0.0713%0.131CC..THydrogen-bonded Turntrans66.521178.5-154.528.2000114.4A208 R209 I213 H214 L215 C337 D338 I339 N340A208-N211 PolarHBondContact O-N 3.16Å; R209-N211 PolarHBondContact O-N 2.97Å; N211-I213 PolarHBondContact O-N 3.33Å; N211-H214 PolarHBondContact O-N 3.32Å; N211-H214 WeakPolarHBondContact OD1-CB 3.48Å; N211-L215 WeakPolarHBondContact O-CG 3.37Å; N211-L215 PolarHBondContact O-N 3.12Å; N211-L215 VanDerWaalsContact O-N 3.14Å; N211-C337 PolarHBondContact OD1-O 2.88Å; N211-D338 PolarHBondContact ND2-OD1 3.48Å; N211-D338 WeakPolarHBondContact OD1-CA 3.27Å; N211-I339 HydrophobicContact CB-CB 4.38Å; N211-I339 HydrophobicContact CB-CD1 4.09Å; N211-I339 HydrophobicContact CB-CG1 4.34Å; N211-I339 WeakPolarHBondContact OD1-CG1 3.46Å; N211-I339 PolarHBondContact OD1-N 3.35Å; N211-N340 PolarHBondContact ND2-ND2 3.06Å
212G91.5Very high87.8Confident0 Ų024.6 Ų24.60%011%0.111CC..Hα-helixtrans-66-33.8-17200000114.3V207 E210 H214 L215 I216V207-G212 WeakPolarHBondContact O-CA 3.27Å; V207-G212 PolarHBondContact O-N 3.18Å; E210-G212 PolarHBondContact O-N 2.97Å; G212-H214 PolarHBondContact O-N 3.2Å; G212-L215 PolarHBondContact O-N 3.49Å; G212-I216 VanDerWaalsContact O-CB 3.31Å; G212-I216 WeakPolarHBondContact O-CB 3.49Å; G212-I216 WeakPolarHBondContact O-CD1 3.48Å; G212-I216 WeakPolarHBondContact O-CG1 3.48Å; G212-I216 PolarHBondContact O-N 3.38Å
213I91.5Very high87.2Confident6 Ų625.6 Ų25.63%0.03112%0.116CC..Hα-helixtrans-61-48.2177.8-63.7170.4000110.3A208 N211 G217 L273 L276 N282 L285 I286 C337A208-I213 HydrophobicContact CB-CD1 3.93Å; A208-I213 HydrophobicContact CB-CG1 4.41Å; N211-I213 PolarHBondContact O-N 3.33Å; I213-G217 PolarHBondContact O-N 3.43Å; I213-L273 HydrophobicContact CG2-CD2 4.4Å; I213-L276 HydrophobicContact CG1-CD1 4.21Å; I213-N282 HydrophobicContact CD1-CB 3.77Å; I213-L285 HydrophobicContact CD1-CB 4.26Å; I213-L285 HydrophobicContact CD1-CD1 3.77Å; I213-I286 HydrophobicContact CG2-CG1 3.97Å; I213-C337 HydrophobicContact CG2-CB 4.47Å
214H89.7Confident85.4Confident23 Ų2327.1 Ų27.111%0.10612%0.121CC..Hα-helixtrans-60.9-46.5175.9168.470.8000112N211 G212 G217 S218 I334 C337 D338N211-H214 PolarHBondContact O-N 3.32Å; N211-H214 WeakPolarHBondContact OD1-CB 3.48Å; G212-H214 PolarHBondContact O-N 3.2Å; H214-G217 PolarHBondContact O-N 2.98Å; H214-S218 WeakPolarHBondContact O-CB 3.38Å; H214-S218 PolarHBondContact O-N 3.41Å; H214-S218 PolarHBondContact O-OG 2.99Å; H214-I334 PolarHBondContact ND1-O 2.92Å; H214-C337 HydrophobicContact CB-CB 4.25Å; H214-D338 HydrophobicContact CB-CB 4.46Å
215L91.4Very high83.3Confident8 Ų829.9 Ų29.94%0.04214%0.141CC..Hα-helixtrans-68.4-38.8-176.9-68.1171.4000112.9L127 L130 K131 L134 N211 G212 Q219L127-L215 HydrophobicContact CB-CD1 3.85Å; L127-L215 HydrophobicContact CD2-CB 4.28Å; L127-L215 HydrophobicContact CD2-CD1 4.08Å; L127-L215 HydrophobicContact CG-CD1 4.46Å; L127-L215 WeakPolarHBondContact O-CD1 3.38Å; L130-L215 HydrophobicContact CB-CB 4.2Å; L130-L215 HydrophobicContact CD1-CB 4.37Å; K131-L215 HydrophobicContact CB-CD1 4.49Å; K131-L215 HydrophobicContact CB-CD2 3.83Å; K131-L215 HydrophobicContact CG-CD2 4.32Å; L134-L215 HydrophobicContact CD1-CD2 3.89Å; N211-L215 WeakPolarHBondContact O-CG 3.37Å; N211-L215 PolarHBondContact O-N 3.12Å; N211-L215 VanDerWaalsContact O-N 3.14Å; G212-L215 PolarHBondContact O-N 3.49Å; L215-Q219 WeakPolarHBondContact O-CG 3.36Å; L215-Q219 PolarHBondContact O-NE2 3.4Å
216I93.8Very high81.3Confident0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-68-47.4173.3-66.1163000109.8L130 L194 V207 G212 S218 Q219 A269 A272 L273 L276L130-I216 HydrophobicContact CD1-CG1 4.31Å; L194-I216 HydrophobicContact CB-CD1 4.29Å; L194-I216 HydrophobicContact CD1-CD1 3.94Å; L194-I216 HydrophobicContact CD1-CG1 4.06Å; V207-I216 HydrophobicContact CG1-CD1 4.24Å; G212-I216 VanDerWaalsContact O-CB 3.31Å; G212-I216 WeakPolarHBondContact O-CB 3.49Å; G212-I216 WeakPolarHBondContact O-CD1 3.48Å; G212-I216 WeakPolarHBondContact O-CG1 3.48Å; G212-I216 PolarHBondContact O-N 3.38Å; I216-S218 PolarHBondContact O-N 3.28Å; I216-Q219 VanDerWaalsContact O-CB 3.26Å; I216-Q219 WeakPolarHBondContact O-CB 3.49Å; I216-Q219 WeakPolarHBondContact O-CG 3.3Å; I216-Q219 PolarHBondContact O-N 2.84Å; I216-A269 HydrophobicContact CG2-CB 4Å; I216-A272 HydrophobicContact CD1-CB 4.05Å; I216-A272 HydrophobicContact CG2-CB 4.09Å; I216-L273 HydrophobicContact CG2-CD1 4.33Å; I216-L273 HydrophobicContact CG2-CD2 4.19Å; I216-L273 HydrophobicContact CG2-CG 3.85Å; I216-L276 HydrophobicContact CD1-CD1 3.69Å
217G90.6Very high79.1Confident0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-57.8-39.2177.500000112.1I213 H214 Q219 L220 I334I213-G217 PolarHBondContact O-N 3.43Å; H214-G217 PolarHBondContact O-N 2.98Å; G217-Q219 PolarHBondContact O-N 3.04Å; G217-Q219 VanDerWaalsContact O-N 3.15Å; G217-L220 VanDerWaalsContact O-CB 3.26Å; G217-L220 WeakPolarHBondContact O-CB 2.92Å; G217-L220 WeakPolarHBondContact O-CG 3.3Å; G217-L220 PolarHBondContact O-N 3.34Å; G217-I334 VanDerWaalsContact O-CD1 3.23Å; G217-I334 WeakPolarHBondContact O-CD1 3.32Å
218S88.8Confident76.7Confident5 Ų536.1 Ų36.14%0.03518%0.183CC..G310 helixtrans-62.6-20.9176.5-57.90000113.7H214 I216 L220 L221 I334H214-S218 WeakPolarHBondContact O-CB 3.38Å; H214-S218 PolarHBondContact O-N 3.41Å; H214-S218 PolarHBondContact O-OG 2.99Å; I216-S218 PolarHBondContact O-N 3.28Å; S218-L220 PolarHBondContact O-N 2.84Å; S218-L221 WeakPolarHBondContact O-CB 3.27Å; S218-L221 PolarHBondContact O-N 3.29Å; S218-L221 VanDerWaalsContact O-N 3.14Å; S218-I334 VanDerWaalsContact OG-CG2 3.25Å; S218-I334 WeakPolarHBondContact OG-CG2 3.12Å
219Q88.5Confident74.5Confident0 Ų039 Ų390%020%0.195CC..G310 helixtrans-66.9-26.4173.6-52.7-49.7-64.600111.9L130 N187 L215 I216 G217 L221 I222 L265 A269L130-Q219 HydrophobicContact CD2-CG 4.43Å; N187-Q219 PolarHBondContact ND2-OE1 2.94Å; L215-Q219 WeakPolarHBondContact O-CG 3.36Å; L215-Q219 PolarHBondContact O-NE2 3.4Å; I216-Q219 VanDerWaalsContact O-CB 3.26Å; I216-Q219 WeakPolarHBondContact O-CB 3.49Å; I216-Q219 WeakPolarHBondContact O-CG 3.3Å; I216-Q219 PolarHBondContact O-N 2.84Å; G217-Q219 PolarHBondContact O-N 3.04Å; G217-Q219 VanDerWaalsContact O-N 3.15Å; Q219-L221 PolarHBondContact O-N 3.38Å; Q219-I222 HydrophobicContact CB-CD1 4.41Å; Q219-I222 WeakPolarHBondContact O-CB 3.32Å; Q219-I222 PolarHBondContact O-N 3.11Å; Q219-L265 HydrophobicContact CB-CD1 4.27Å; Q219-L265 HydrophobicContact CB-CD2 4.42Å; Q219-L265 HydrophobicContact CB-CG 4.32Å; Q219-A269 HydrophobicContact CB-CB 4.3Å
220L88.3Confident72.6Confident1 Ų139.5 Ų39.51%0.00520%0.202CC..G310 helixtrans-68.9-14.8174.6-53.9-179.1000112.8G217 S218 Y266 A269 F270 L273 F289 L319G217-L220 VanDerWaalsContact O-CB 3.26Å; G217-L220 WeakPolarHBondContact O-CB 2.92Å; G217-L220 WeakPolarHBondContact O-CG 3.3Å; G217-L220 PolarHBondContact O-N 3.34Å; S218-L220 PolarHBondContact O-N 2.84Å; L220-Y266 HydrophobicContact CD2-CD1 4.3Å; L220-A269 HydrophobicContact CD2-CB 3.76Å; L220-A269 HydrophobicContact CG-CB 4.5Å; L220-F270 HydrophobicContact CD1-CD1 4.26Å; L220-F270 HydrophobicContact CD1-CE1 3.67Å; L220-F270 HydrophobicContact CD1-CZ 3.92Å; L220-F270 HydrophobicContact CD2-CD1 4.45Å; L220-F270 HydrophobicContact CD2-CD2 4.18Å; L220-F270 HydrophobicContact CD2-CE1 4.23Å; L220-F270 HydrophobicContact CD2-CE2 3.96Å; L220-F270 HydrophobicContact CD2-CG 4.41Å; L220-F270 HydrophobicContact CD2-CZ 3.98Å; L220-L273 HydrophobicContact CD1-CD1 3.99Å; L220-F289 HydrophobicContact CD1-CE2 4.36Å; L220-F289 HydrophobicContact CD1-CZ 3.78Å; L220-L319 HydrophobicContact CB-CD1 4.39Å; L220-L319 HydrophobicContact CB-CD2 4.08Å; L220-L319 HydrophobicContact CD2-CD2 4.06Å
221L83.8Confident70.6Confident25 Ų2542.4 Ų42.413%0.13122%0.215CC..G310 helixtrans-92-2.4177.2-56.4179.9000113K137 S218 Q219 K223 Y327 L330 I331 I334K137-L221 PolarHBondContact NZ-O 2.81Å; S218-L221 WeakPolarHBondContact O-CB 3.27Å; S218-L221 PolarHBondContact O-N 3.29Å; S218-L221 VanDerWaalsContact O-N 3.14Å; Q219-L221 PolarHBondContact O-N 3.38Å; L221-K223 PolarHBondContact O-N 2.98Å; L221-K223 VanDerWaalsContact O-N 3.1Å; L221-Y327 HydrophobicContact CD2-CE2 4.07Å; L221-L330 HydrophobicContact CD2-CD2 4.15Å; L221-L330 HydrophobicContact CD2-CG 4.33Å; L221-I331 HydrophobicContact CD1-CG1 4.1Å; L221-I331 HydrophobicContact CD2-CG1 3.68Å; L221-I334 HydrophobicContact CD1-CD1 3.58Å; L221-I334 HydrophobicContact CD1-CG2 4.47Å; L221-I334 HydrophobicContact CD2-CD1 3.76Å; L221-I334 HydrophobicContact CG-CD1 3.48Å; L221-I334 VanDerWaalsContact CG-CD1 3.48Å
222I77.3Confident68.4Low9 Ų944 Ų445%0.04623%0.226CC..  trans-76.298.7177.1-63.8173.2000107.2F179 Q219 L265 Y266F179-I222 HydrophobicContact CD2-CG2 4.13Å; F179-I222 HydrophobicContact CE2-CG2 4.24Å; Q219-I222 HydrophobicContact CB-CD1 4.41Å; Q219-I222 WeakPolarHBondContact O-CB 3.32Å; Q219-I222 PolarHBondContact O-N 3.11Å; I222-L265 HydrophobicContact CD1-CD2 3.93Å; I222-Y266 WeakPolarHBondContact O-CE1 3.35Å; I222-Y266 PolarHBondContact O-OH 3.26Å
223K68.7Low66.1Low120 Ų12047.5 Ų47.552%0.52225%0.245SC..  trans-96.1142.9171.4-66.8-172.9173.6179.80109L221 Y327L221-K223 PolarHBondContact O-N 2.98Å; L221-K223 VanDerWaalsContact O-N 3.1Å; K223-Y327 WeakPolarHBondContact CE-OH 3.42Å
224Y51.4Low64.2Low46 Ų4651.2 Ų51.218%0.1827%0.268CS..  trans-63143.2154.4-109.7-126.9000108.2Q181 I184 S226 F257 I262Q181-Y224 PolarHBondContact NE2-OH 3Å; I184-Y224 HydrophobicContact CD1-CE2 4.1Å; Y224-S226 VanDerWaalsContact C-N 3.31Å; Y224-S226 PolarHBondContact O-N 3.41Å; Y224-F257 WeakPolarHBondContact CE1-O 3.34Å; Y224-F257 PolarHBondContact OH-O 3.38Å; Y224-I262 HydrophobicContact CD2-CD1 3.03Å; Y224-I262 HydrophobicContact CD2-CG1 4.29Å; Y224-I262 HydrophobicContact CE2-CD1 3.42Å; Y224-I262 VanDerWaalsContact CE2-CD1 3.42Å; Y224-I262 HydrophobicContact CE2-CG1 4.32Å; Y224-I262 HydrophobicContact CG-CD1 4.06Å
225S43.8Very low62.1Low58 Ų5852.5 Ų52.541%0.40628%0.282SS..  trans-59.699.3171.6-1760000107.9N227 V228 E229S225-N227 PolarHBondContact O-N 3.37Å; S225-V228 WeakPolarHBondContact O-CA 3.2Å; S225-V228 WeakPolarHBondContact O-CB 3.33Å; S225-V228 PolarHBondContact O-N 2.78Å; S225-E229 PolarHBondContact O-N 2.98Å; S225-E229 VanDerWaalsContact O-N 3.08Å
226S41.2Very low59.8Low74 Ų7453.7 Ų53.752%0.51729%0.288SS..Hα-helixtrans-55.2-23.1179.752.80000113Y224 K230Y224-S226 VanDerWaalsContact C-N 3.31Å; Y224-S226 PolarHBondContact O-N 3.41Å; S226-K230 PolarHBondContact O-N 3.45Å
227N40.9Very low57.7Low114 Ų11458.8 Ų58.861%0.6131%0.312SS*.Hα-helixtrans-66.8-41171.5-85.8-11.3000112.3S225 Q231S225-N227 PolarHBondContact O-N 3.37Å; N227-Q231 VanDerWaalsContact O-CB 3.28Å; N227-Q231 WeakPolarHBondContact O-CB 3.3Å; N227-Q231 WeakPolarHBondContact O-CG 3.5Å; N227-Q231 PolarHBondContact O-N 3.34Å
228V40.6Very low55.8Low35 Ų3561.6 Ų61.621%0.21233%0.332CS..Hα-helixtrans-70.7-39.3175.5-178.10000109.7V176 S225 Q231 C232V176-V228 HydrophobicContact CG1-CG2 4.43Å; S225-V228 WeakPolarHBondContact O-CA 3.2Å; S225-V228 WeakPolarHBondContact O-CB 3.33Å; S225-V228 PolarHBondContact O-N 2.78Å; V228-Q231 PolarHBondContact O-N 3.44Å; V228-C232 VanDerWaalsContact O-CB 3.26Å; V228-C232 WeakPolarHBondContact O-CB 3.46Å; V228-C232 PolarHBondContact O-N 2.87Å; V228-C232 PolarHBondContact O-SG 2.93Å; V228-C232 VanDerWaalsContact O-SG 3.37Å
229E41.4Very low53.6Low67 Ų6767.6 Ų67.631%0.31336%0.36SS..Hα-helixtrans-59.2-51.5176-175.2-179.4-162.600112S225 Q231 C232 L233S225-E229 PolarHBondContact O-N 2.98Å; S225-E229 VanDerWaalsContact O-N 3.08Å; E229-Q231 PolarHBondContact O-N 2.94Å; E229-C232 PolarHBondContact O-N 3.27Å; E229-L233 HydrophobicContact CG-CD1 3.99Å; E229-L233 WeakPolarHBondContact O-CB 3.28Å; E229-L233 PolarHBondContact O-N 3.32Å
230K44.5Very low51.5Low152 Ų15270.3 Ų70.366%0.66137%0.374SS*.Hα-helixtrans-61.1-44.5174.7-86.8-175.6177.1178.20111.4S226 T234S226-K230 PolarHBondContact O-N 3.45Å; K230-T234 VanDerWaalsContact O-CB 3.26Å; K230-T234 WeakPolarHBondContact O-CB 3.46Å; K230-T234 PolarHBondContact O-N 2.86Å; K230-T234 PolarHBondContact O-OG1 3.19Å
231Q46.6Very low49.9Very low134 Ų13478.2 Ų78.263%0.62641%0.408SS*.Hα-helixtrans-63.9-42.3179.9-76.8173.5-5.900112.1N227 V228 E229 T234 A235N227-Q231 VanDerWaalsContact O-CB 3.28Å; N227-Q231 WeakPolarHBondContact O-CB 3.3Å; N227-Q231 WeakPolarHBondContact O-CG 3.5Å; N227-Q231 PolarHBondContact O-N 3.34Å; V228-Q231 PolarHBondContact O-N 3.44Å; E229-Q231 PolarHBondContact O-N 2.94Å; Q231-T234 PolarHBondContact O-N 3.43Å; Q231-A235 WeakPolarHBondContact O-CB 3.16Å; Q231-A235 PolarHBondContact O-N 2.8Å
232C41.2Very low48.5Very low46 Ų4684.9 Ų84.931%0.31144%0.438SS..Hα-helixtrans-67.7-47.5176.8-75.20000111.6V228 E229 T234 A235 I236 F257V228-C232 VanDerWaalsContact O-CB 3.26Å; V228-C232 WeakPolarHBondContact O-CB 3.46Å; V228-C232 PolarHBondContact O-N 2.87Å; V228-C232 PolarHBondContact O-SG 2.93Å; V228-C232 VanDerWaalsContact O-SG 3.37Å; E229-C232 PolarHBondContact O-N 3.27Å; C232-T234 VanDerWaalsContact C-N 3.31Å; C232-T234 PolarHBondContact O-N 3.06Å; C232-A235 PolarHBondContact O-N 2.79Å; C232-I236 WeakPolarHBondContact O-CB 3.41Å; C232-I236 WeakPolarHBondContact O-CD1 3.37Å; C232-I236 WeakPolarHBondContact O-CG1 3.32Å; C232-I236 PolarHBondContact O-N 2.83Å; C232-F257 HydrophobicContact CB-CE1 4.34Å
233L44.3Very low46.9Very low75 Ų7587.9 Ų87.939%0.39346%0.457SS..Hα-helixtrans-58.6-43.9174.2-90154.8000111.3E229 I236 E237E229-L233 HydrophobicContact CG-CD1 3.99Å; E229-L233 WeakPolarHBondContact O-CB 3.28Å; E229-L233 PolarHBondContact O-N 3.32Å; L233-I236 PolarHBondContact O-N 3.01Å; L233-E237 WeakPolarHBondContact O-CB 3.5Å; L233-E237 WeakPolarHBondContact O-CG 3.39Å; L233-E237 PolarHBondContact O-N 3.14Å
234T50.5Low46Very low84 Ų8490.1 Ų90.152%0.51548%0.475SS..Hα-helixtrans-66.7-39.5178.1-45.30000111.4K230 Q231 C232 S238K230-T234 VanDerWaalsContact O-CB 3.26Å; K230-T234 WeakPolarHBondContact O-CB 3.46Å; K230-T234 PolarHBondContact O-N 2.86Å; K230-T234 PolarHBondContact O-OG1 3.19Å; Q231-T234 PolarHBondContact O-N 3.43Å; C232-T234 VanDerWaalsContact C-N 3.31Å; C232-T234 PolarHBondContact O-N 3.06Å; T234-S238 WeakPolarHBondContact O-CB 3.33Å; T234-S238 PolarHBondContact O-N 2.85Å; T234-S238 PolarHBondContact O-OG 3.15Å
235A47.4Very low45.8Very low49 Ų4992.7 Ų92.741%0.40549%0.492SS..Hα-helixtrans-63.5-42.8175.800000111.1Q231 C232 S238 E239Q231-A235 WeakPolarHBondContact O-CB 3.16Å; Q231-A235 PolarHBondContact O-N 2.8Å; C232-A235 PolarHBondContact O-N 2.79Å; A235-S238 WeakPolarHBondContact CA-OG 3.21Å; A235-S238 WeakPolarHBondContact O-CB 3.48Å; A235-S238 PolarHBondContact O-N 2.87Å; A235-S238 PolarHBondContact O-OG 3.19Å; A235-E239 PolarHBondContact O-N 3.27Å
236I41.9Very low46Very low33 Ų3395 Ų9517%0.16950%0.504CS..Hα-helixtrans-70.2-42.5178-64.4156.8000111C232 L233 S238 E239 L240 I252 F257C232-I236 WeakPolarHBondContact O-CB 3.41Å; C232-I236 WeakPolarHBondContact O-CD1 3.37Å; C232-I236 WeakPolarHBondContact O-CG1 3.32Å; C232-I236 PolarHBondContact O-N 2.83Å; L233-I236 PolarHBondContact O-N 3.01Å; I236-S238 PolarHBondContact O-N 2.83Å; I236-E239 PolarHBondContact O-N 3.32Å; I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.19Å; I236-L240 WeakPolarHBondContact O-CB 3.29Å; I236-L240 WeakPolarHBondContact O-CG 3.41Å; I236-L240 PolarHBondContact O-N 3.45Å; I236-I252 HydrophobicContact CG2-CD1 3.86Å; I236-F257 HydrophobicContact CD1-CE1 3.85Å; I236-F257 HydrophobicContact CD1-CE2 3.83Å; I236-F257 HydrophobicContact CD1-CZ 3.17Å; I236-F257 HydrophobicContact CG1-CZ 4.43Å
237E49.3Very low46.1Very low108 Ų10898.7 Ų98.751%0.50551%0.513SS..Hα-helixtrans-59.4-34.2172.1-78.7-177.3-176.400111.2L233 K241L233-E237 WeakPolarHBondContact O-CB 3.5Å; L233-E237 WeakPolarHBondContact O-CG 3.39Å; L233-E237 PolarHBondContact O-N 3.14Å; E237-K241 WeakPolarHBondContact O-CB 3.48Å; E237-K241 VanDerWaalsContact O-CG 3.26Å; E237-K241 WeakPolarHBondContact O-CG 3.48Å; E237-K241 PolarHBondContact O-N 2.98Å; E237-K241 VanDerWaalsContact O-N 3.09Å
238S51.3Low46.4Very low59 Ų5996 Ų9641%0.41350%0.503SS..Hα-helixtrans-72.6-37.6175.579.80000112.8T234 A235 I236 Q242T234-S238 WeakPolarHBondContact O-CB 3.33Å; T234-S238 PolarHBondContact O-N 2.85Å; T234-S238 PolarHBondContact O-OG 3.15Å; A235-S238 WeakPolarHBondContact CA-OG 3.21Å; A235-S238 WeakPolarHBondContact O-CB 3.48Å; A235-S238 PolarHBondContact O-N 2.87Å; A235-S238 PolarHBondContact O-OG 3.19Å; I236-S238 PolarHBondContact O-N 2.83Å; S238-Q242 PolarHBondContact O-N 2.77Å
239E43.6Very low46.3Very low131 Ų131101.2 Ų101.261%0.61253%0.525SS*.Hα-helixtrans-70.3-44.3174.5-80.1-173.3155.100111.7A235 I236 K241 Q242 T243A235-E239 PolarHBondContact O-N 3.27Å; I236-E239 PolarHBondContact O-N 3.32Å; E239-K241 VanDerWaalsContact C-N 3.25Å; E239-K241 PolarHBondContact O-N 2.82Å; E239-Q242 WeakPolarHBondContact O-CA 3.32Å; E239-Q242 WeakPolarHBondContact O-CB 3.49Å; E239-Q242 PolarHBondContact O-N 2.77Å; E239-T243 PolarHBondContact O-N 3.49Å; E239-T243 PolarHBondContact O-OG1 3.41Å
240L44.3Very low46.2Very low56 Ų56105.3 Ų105.329%0.29354%0.544SS..Hα-helixtrans-64-29.3176.1-75.3172000112.5I236 Q242 T243I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.19Å; I236-L240 WeakPolarHBondContact O-CB 3.29Å; I236-L240 WeakPolarHBondContact O-CG 3.41Å; I236-L240 PolarHBondContact O-N 3.45Å; L240-Q242 PolarHBondContact O-N 2.83Å; L240-T243 VanDerWaalsContact O-O 3.08Å
241K53.7Low45.9Very low168 Ų168104 Ų10473%0.7355%0.549SS*.THydrogen-bonded Turntrans-70.4-20.9170.7-81.6175.2-178.3171.20112.8E237 E239E237-K241 WeakPolarHBondContact O-CB 3.48Å; E237-K241 VanDerWaalsContact O-CG 3.26Å; E237-K241 WeakPolarHBondContact O-CG 3.48Å; E237-K241 PolarHBondContact O-N 2.98Å; E237-K241 VanDerWaalsContact O-N 3.09Å; E239-K241 VanDerWaalsContact C-N 3.25Å; E239-K241 PolarHBondContact O-N 2.82Å
242Q53.8Low45.5Very low164 Ų164101.2 Ų101.277%0.76654%0.537SS*.THydrogen-bonded Turntrans-90.7-29.5176.8-69.9-178.11200112.5S238 E239 L240S238-Q242 PolarHBondContact O-N 2.77Å; E239-Q242 WeakPolarHBondContact O-CA 3.32Å; E239-Q242 WeakPolarHBondContact O-CB 3.49Å; E239-Q242 PolarHBondContact O-N 2.77Å; L240-Q242 PolarHBondContact O-N 2.83Å
243T45Very low45.4Very low73 Ų73103.4 Ų103.445%0.44855%0.546SS..  trans-93.9102.417545.50000110.6E239 L240 D245E239-T243 PolarHBondContact O-N 3.49Å; E239-T243 PolarHBondContact O-OG1 3.41Å; L240-T243 VanDerWaalsContact O-O 3.08Å; T243-D245 PolarHBondContact O-N 2.98Å
244N50.1Low45.3Very low167 Ų167104.8 Ų104.889%0.89355%0.552SS**  trans-63.519.7172.3-84-21.9000114.2V246N244-V246 PolarHBondContact O-N 2.97Å
245D46Very low44.9Very low100 Ų100105.1 Ų105.154%0.53555%0.551SS.*  trans-95.999.4-170.7-147-7.3000110.1T243 E247 S248T243-D245 PolarHBondContact O-N 2.98Å; D245-E247 PolarHBondContact O-N 3.43Å; D245-E247 VanDerWaalsContact O-N 3.1Å; D245-S248 WeakPolarHBondContact O-CB 3.01Å; D245-S248 PolarHBondContact O-N 3.43Å; D245-S248 PolarHBondContact O-OG 2.82Å
246V47.5Very low44.6Very low107 Ų107111.4 Ų111.465%0.64857%0.569SS**G310 helixtrans-58.2-24-173.61790000112.2N244 S248 Q249N244-V246 PolarHBondContact O-N 2.97Å; V246-S248 VanDerWaalsContact C-N 3.29Å; V246-S248 PolarHBondContact O-N 3.39Å; V246-Q249 PolarHBondContact O-N 2.99Å
247E45.2Very low44.6Very low151 Ų151113.4 Ų113.471%0.70658%0.577SS**G310 helixtrans-72.3-20.9177-70.8-170157.800113.4D245 Q249 Q250D245-E247 PolarHBondContact O-N 3.43Å; D245-E247 VanDerWaalsContact O-N 3.1Å; E247-Q249 PolarHBondContact O-N 3.32Å; E247-Q250 PolarHBondContact O-N 3.02Å
248S45.6Very low44.6Very low57 Ų57108.3 Ų108.340%0.39955%0.553SS.*G310 helixtrans-75.3-12.2176.4-49.50000113.4D245 V246 Q250D245-S248 WeakPolarHBondContact O-CB 3.01Å; D245-S248 PolarHBondContact O-N 3.43Å; D245-S248 PolarHBondContact O-OG 2.82Å; V246-S248 VanDerWaalsContact C-N 3.29Å; V246-S248 PolarHBondContact O-N 3.39Å; S248-Q250 PolarHBondContact O-N 2.82Å
249Q39Very low44.5Very low145 Ų145107.9 Ų107.968%0.67855%0.546SS*.G310 helixtrans-79-3.4176.8-68.3-179.4-2200113V246 E247 T251V246-Q249 PolarHBondContact O-N 2.99Å; E247-Q249 PolarHBondContact O-N 3.32Å; Q249-T251 PolarHBondContact O-N 2.93Å
250Q39Very low45.3Very low153 Ų153102 Ų10272%0.71552%0.52SS*.SBendtrans-60.6100.7169.5-75.1-175.71.400109E247 S248 I252E247-Q250 PolarHBondContact O-N 3.02Å; S248-Q250 PolarHBondContact O-N 2.82Å; Q250-I252 PolarHBondContact O-N 3.48Å
251T37.7Very low46.9Very low125 Ų125101.5 Ų101.577%0.76752%0.518SS*.  trans19.697.4162.233.80000112.8Q249 D253Q249-T251 PolarHBondContact O-N 2.93Å; T251-D253 VanDerWaalsContact C-N 3.33Å; T251-D253 PolarHBondContact O-N 3.4Å
252I39.4Very low48.1Very low74 Ų7494 Ų9438%0.37949%0.486SS..  trans-41.2106.3161.6-66.6168.8000106.8I236 Q250 I254 F257I236-I252 HydrophobicContact CG2-CD1 3.86Å; Q250-I252 PolarHBondContact O-N 3.48Å; I252-I254 PolarHBondContact O-N 3.32Å; I252-F257 HydrophobicContact CG2-CD2 3.68Å; I252-F257 HydrophobicContact CG2-CE2 3.45Å; I252-F257 VanDerWaalsContact CG2-CE2 3.45Å
253D38.7Very low49.7Very low92 Ų9289.3 Ų89.349%0.49246%0.461SS..  trans-62.3108.4-176-166.4-9.1000105.4T251 N255 K256T251-D253 VanDerWaalsContact C-N 3.33Å; T251-D253 PolarHBondContact O-N 3.4Å; D253-N255 PolarHBondContact O-N 3.48Å; D253-N255 WeakPolarHBondContact OD1-CB 3.06Å; D253-N255 PolarHBondContact OD1-ND2 3.21Å; D253-K256 HydrophobicContact CB-CB 4.4Å; D253-K256 WeakPolarHBondContact O-CA 3.39Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 2.9Å
254I42.4Very low51.8Low104 Ų10489.5 Ų89.553%0.53346%0.457SS..THydrogen-bonded Turntrans-56.3-22-175.5-64.9168.3000110.1I252 L259 G260I252-I254 PolarHBondContact O-N 3.32Å; I254-L259 HydrophobicContact CG2-CB 3.66Å; I254-L259 PolarHBondContact O-N 2.94Å; I254-G260 PolarHBondContact O-N 2.58Å
255N41.1Very low53.7Low92 Ų9281.6 Ų81.649%0.49242%0.415SS..THydrogen-bonded Turntrans-65.4-33171.5-61.1-45.1000113.5D253 F257 G258D253-N255 PolarHBondContact O-N 3.48Å; D253-N255 WeakPolarHBondContact OD1-CB 3.06Å; D253-N255 PolarHBondContact OD1-ND2 3.21Å; N255-F257 VanDerWaalsContact C-N 3.26Å; N255-F257 PolarHBondContact O-N 2.94Å; N255-G258 PolarHBondContact O-N 3.04Å; N255-G258 VanDerWaalsContact O-N 3.1Å
256K41.2Very low55.9Low180 Ų18077.5 Ų77.578%0.78339%0.392SS*.THydrogen-bonded Turntrans-65.8-27.8-177.4-138.5179.3-172.6-178.30112.6D253D253-K256 HydrophobicContact CB-CB 4.4Å; D253-K256 WeakPolarHBondContact O-CA 3.39Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 2.9Å
257F42.3Very low58Low75 Ų7572.7 Ų72.733%0.32936%0.363SS..THydrogen-bonded Turntrans-94.8-0.6175.8-72.1-78.7000113.8Y224 C232 I236 I252 N255 L259Y224-F257 WeakPolarHBondContact CE1-O 3.34Å; Y224-F257 PolarHBondContact OH-O 3.38Å; C232-F257 HydrophobicContact CB-CE1 4.34Å; I236-F257 HydrophobicContact CD1-CE1 3.85Å; I236-F257 HydrophobicContact CD1-CE2 3.83Å; I236-F257 HydrophobicContact CD1-CZ 3.17Å; I236-F257 HydrophobicContact CG1-CZ 4.43Å; I252-F257 HydrophobicContact CG2-CD2 3.68Å; I252-F257 HydrophobicContact CG2-CE2 3.45Å; I252-F257 VanDerWaalsContact CG2-CE2 3.45Å; N255-F257 VanDerWaalsContact C-N 3.26Å; N255-F257 PolarHBondContact O-N 2.94Å; F257-L259 HydrophobicContact CB-CD1 4.28Å; F257-L259 PolarHBondContact O-N 3.26Å
258G49.3Very low60.3Low1 Ų166.4 Ų66.41%0.0134%0.335CS..THydrogen-bonded Turntrans73.3-1.4-176.400000115.1N255 G260 N261 I262N255-G258 PolarHBondContact O-N 3.04Å; N255-G258 VanDerWaalsContact O-N 3.1Å; G258-G260 PolarHBondContact O-N 3.43Å; G258-N261 WeakPolarHBondContact O-CB 3.35Å; G258-N261 PolarHBondContact O-N 3.39Å; G258-I262 PolarHBondContact O-N 3.5Å
259L50.2Low62.6Low50 Ų5063.7 Ų63.726%0.26232%0.316SS..Hα-helixtrans-56.6-41.5175.6-110.394.1000111.2I254 F257 N261 I262 R263I254-L259 HydrophobicContact CG2-CB 3.66Å; I254-L259 PolarHBondContact O-N 2.94Å; F257-L259 HydrophobicContact CB-CD1 4.28Å; F257-L259 PolarHBondContact O-N 3.26Å; L259-N261 PolarHBondContact O-N 2.96Å; L259-I262 PolarHBondContact O-N 3.17Å; L259-I262 VanDerWaalsContact O-N 3.16Å; L259-R263 PolarHBondContact O-N 2.56Å; L259-R263 VanDerWaalsContact O-N 3.13Å
260G60.4Low65.3Low7 Ų756.8 Ų56.87%0.07228%0.283CS..Hα-helixtrans-54.7-42.8174.800000111.8I254 G258 I262 R263 H264I254-G260 PolarHBondContact O-N 2.58Å; G258-G260 PolarHBondContact O-N 3.43Å; G260-I262 PolarHBondContact O-N 2.95Å; G260-R263 PolarHBondContact O-N 3.27Å; G260-H264 PolarHBondContact O-CD2 3.06Å; G260-H264 VanDerWaalsContact O-CG 3.32Å; G260-H264 PolarHBondContact O-N 3.45Å
261N76.4Confident67.8Low46 Ų4650 Ų5025%0.24625%0.253CS..Hα-helixtrans-67-34.1-179.6-67.5-29.1000112.6Q181 I184 I188 G258 L259 H264 L265Q181-N261 PolarHBondContact OE1-ND2 2.92Å; I184-N261 HydrophobicContact CG2-CB 3.8Å; I188-N261 HydrophobicContact CD1-CB 4.26Å; I188-N261 VanDerWaalsContact CD1-O 3.28Å; I188-N261 WeakPolarHBondContact CD1-O 3.47Å; G258-N261 WeakPolarHBondContact O-CB 3.35Å; G258-N261 PolarHBondContact O-N 3.39Å; L259-N261 PolarHBondContact O-N 2.96Å; N261-H264 PolarHBondContact O-N 3.41Å; N261-L265 PolarHBondContact O-N 3.12Å
262I80.1Confident70.5Confident10 Ų1044.1 Ų44.15%0.05122%0.216CC..Hα-helixtrans-71.9-43.4176.9-72.6-173.3000112.2I184 Y224 G258 L259 G260 H264 L265 Y266I184-I262 HydrophobicContact CD1-CD1 4.2Å; I184-I262 HydrophobicContact CD1-CG1 3.92Å; I184-I262 HydrophobicContact CG2-CG1 4.34Å; Y224-I262 HydrophobicContact CD2-CD1 3.03Å; Y224-I262 HydrophobicContact CD2-CG1 4.29Å; Y224-I262 HydrophobicContact CE2-CD1 3.42Å; Y224-I262 VanDerWaalsContact CE2-CD1 3.42Å; Y224-I262 HydrophobicContact CE2-CG1 4.32Å; Y224-I262 HydrophobicContact CG-CD1 4.06Å; G258-I262 PolarHBondContact O-N 3.5Å; L259-I262 PolarHBondContact O-N 3.17Å; L259-I262 VanDerWaalsContact O-N 3.16Å; G260-I262 PolarHBondContact O-N 2.95Å; I262-H264 PolarHBondContact O-N 3.41Å; I262-L265 WeakPolarHBondContact O-CA 3.24Å; I262-L265 WeakPolarHBondContact O-CB 3.46Å; I262-L265 PolarHBondContact O-N 3.31Å; I262-Y266 HydrophobicContact CG2-CD1 4.33Å; I262-Y266 HydrophobicContact CG2-CD2 4.03Å; I262-Y266 HydrophobicContact CG2-CE1 3.73Å; I262-Y266 HydrophobicContact CG2-CE2 3.42Å; I262-Y266 VanDerWaalsContact CG2-CE2 3.42Å; I262-Y266 HydrophobicContact CG2-CG 4.47Å; I262-Y266 WeakPolarHBondContact CG2-OH 3.37Å; I262-Y266 PolarHBondContact O-N 3.13Å
263R88Confident73.1Confident66 Ų6640.6 Ų40.625%0.24920%0.198CC..Hα-helixtrans-58.6-40.1174-67.4177.771.391.9-4.8110.6L259 G260 Y266 A267 V316 N317 E320L259-R263 PolarHBondContact O-N 2.56Å; L259-R263 VanDerWaalsContact O-N 3.13Å; G260-R263 PolarHBondContact O-N 3.27Å; R263-Y266 PolarHBondContact O-N 3.18Å; R263-A267 WeakPolarHBondContact O-CB 3.38Å; R263-A267 PolarHBondContact O-N 3.11Å; R263-V316 HydrophobicContact CB-CG1 4.19Å; R263-V316 HydrophobicContact CG-CG1 4.08Å; R263-N317 PolarHBondContact NH2-OD1 2.8Å; R263-E320 IonicContact CZ-OE1 3.68Å; R263-E320 IonicContact CZ-OE2 3.71Å; R263-E320 IonicContact NH1-OE1 2.69Å; R263-E320 PolarHBondContact NH1-OE1 2.86Å; R263-E320 IonicContact NH1-OE2 3.52Å; R263-E320 PolarHBondContact NH1-OE2 3.08Å
264H88.3Confident75.6Confident78 Ų7837.9 Ų37.936%0.36118%0.181SC..Hα-helixtrans-64.1-37.1172.3-70.5-51.2000113.4I188 G260 N261 I262 A267 N268I188-H264 HydrophobicContact CD1-CB 3.95Å; I188-H264 HydrophobicContact CG1-CB 4.5Å; G260-H264 PolarHBondContact O-CD2 3.06Å; G260-H264 VanDerWaalsContact O-CG 3.32Å; G260-H264 PolarHBondContact O-N 3.45Å; N261-H264 PolarHBondContact O-N 3.41Å; I262-H264 PolarHBondContact O-N 3.41Å; H264-A267 PolarHBondContact O-N 3.34Å; H264-N268 WeakPolarHBondContact O-CB 3.45Å; H264-N268 PolarHBondContact O-N 2.81Å; H264-N268 PolarHBondContact O-ND2 3.46Å
265L89.6Confident77.8Confident1 Ų134.9 Ų34.91%0.00516%0.163CC..Hα-helixtrans-62.7-47.9174.1176.961.3000111.1I184 N187 I188 Q219 I222 N261 I262 A267 N268 A269I184-L265 HydrophobicContact CG2-CB 4.42Å; I184-L265 HydrophobicContact CG2-CD2 4.41Å; N187-L265 HydrophobicContact CB-CD1 3.74Å; I188-L265 HydrophobicContact CG1-CB 3.83Å; I188-L265 HydrophobicContact CG1-CD1 4.22Å; Q219-L265 HydrophobicContact CB-CD1 4.27Å; Q219-L265 HydrophobicContact CB-CD2 4.42Å; Q219-L265 HydrophobicContact CB-CG 4.32Å; I222-L265 HydrophobicContact CD1-CD2 3.93Å; N261-L265 PolarHBondContact O-N 3.12Å; I262-L265 WeakPolarHBondContact O-CA 3.24Å; I262-L265 WeakPolarHBondContact O-CB 3.46Å; I262-L265 PolarHBondContact O-N 3.31Å; L265-A267 PolarHBondContact O-N 3.2Å; L265-N268 PolarHBondContact O-N 3.27Å; L265-A269 WeakPolarHBondContact O-CB 3.29Å; L265-A269 PolarHBondContact O-N 3.34Å
266Y92Very high80.1Confident14 Ų1430.5 Ų30.56%0.05514%0.14CC..Hα-helixtrans-59.7-46.7176.5-60.7-24.6000111.5L220 I222 I262 R263 N268 A269 F270 V316 L319L220-Y266 HydrophobicContact CD2-CD1 4.3Å; I222-Y266 WeakPolarHBondContact O-CE1 3.35Å; I222-Y266 PolarHBondContact O-OH 3.26Å; I262-Y266 HydrophobicContact CG2-CD1 4.33Å; I262-Y266 HydrophobicContact CG2-CD2 4.03Å; I262-Y266 HydrophobicContact CG2-CE1 3.73Å; I262-Y266 HydrophobicContact CG2-CE2 3.42Å; I262-Y266 VanDerWaalsContact CG2-CE2 3.42Å; I262-Y266 HydrophobicContact CG2-CG 4.47Å; I262-Y266 WeakPolarHBondContact CG2-OH 3.37Å; I262-Y266 PolarHBondContact O-N 3.13Å; R263-Y266 PolarHBondContact O-N 3.18Å; Y266-N268 VanDerWaalsContact C-N 3.34Å; Y266-N268 PolarHBondContact O-N 3.34Å; Y266-A269 PolarHBondContact O-N 3.28Å; Y266-F270 WeakPolarHBondContact O-CD2 3.34Å; Y266-F270 PolarHBondContact O-N 2.92Å; Y266-V316 HydrophobicContact CD2-CG1 4.14Å; Y266-L319 HydrophobicContact CD1-CD2 4.02Å; Y266-L319 HydrophobicContact CD2-CD2 3.88Å; Y266-L319 HydrophobicContact CE1-CD2 4.28Å; Y266-L319 HydrophobicContact CE2-CD2 4.11Å; Y266-L319 HydrophobicContact CG-CD2 3.81Å
267A93.2Very high82.4Confident5 Ų522.3 Ų22.34%0.04110%0.104CC..Hα-helixtrans-60.1-42.2177.900000112.3R263 H264 L265 C271 T309 V316R263-A267 WeakPolarHBondContact O-CB 3.38Å; R263-A267 PolarHBondContact O-N 3.11Å; H264-A267 PolarHBondContact O-N 3.34Å; L265-A267 PolarHBondContact O-N 3.2Å; A267-C271 VanDerWaalsContact O-CB 3.23Å; A267-C271 WeakPolarHBondContact O-CB 3.37Å; A267-C271 PolarHBondContact O-N 2.85Å; A267-T309 HydrophobicContact CB-CG2 4.31Å; A267-V316 HydrophobicContact CB-CG2 4.21Å
268N92.5Very high84.2Confident20 Ų2020.8 Ų20.811%0.10710%0.099CC..Hα-helixtrans-69.2-37.9176.3-83-83.1000112.6C191 H264 L265 Y266 C271 A272 T309C191-N268 HydrophobicContact CB-CB 3.76Å; H264-N268 WeakPolarHBondContact O-CB 3.45Å; H264-N268 PolarHBondContact O-N 2.81Å; H264-N268 PolarHBondContact O-ND2 3.46Å; L265-N268 PolarHBondContact O-N 3.27Å; Y266-N268 VanDerWaalsContact C-N 3.34Å; Y266-N268 PolarHBondContact O-N 3.34Å; N268-C271 PolarHBondContact O-N 3Å; N268-A272 WeakPolarHBondContact O-CB 3.49Å; N268-A272 PolarHBondContact O-N 3.33Å; N268-T309 WeakPolarHBondContact ND2-CG2 3.23Å
269A93.9Very high85.5Confident0 Ų021.1 Ų21.10%010%0.101CC..Hα-helixtrans-64-47.317500000111I216 Q219 L220 L265 Y266 C271 A272 L273I216-A269 HydrophobicContact CG2-CB 4Å; Q219-A269 HydrophobicContact CB-CB 4.3Å; L220-A269 HydrophobicContact CD2-CB 3.76Å; L220-A269 HydrophobicContact CG-CB 4.5Å; L265-A269 WeakPolarHBondContact O-CB 3.29Å; L265-A269 PolarHBondContact O-N 3.34Å; Y266-A269 PolarHBondContact O-N 3.28Å; A269-C271 VanDerWaalsContact C-N 3.32Å; A269-C271 PolarHBondContact O-N 3.35Å; A269-A272 PolarHBondContact O-N 2.83Å; A269-L273 WeakPolarHBondContact O-CB 3.4Å; A269-L273 VanDerWaalsContact O-CG 3.28Å; A269-L273 WeakPolarHBondContact O-CG 2.94Å; A269-L273 PolarHBondContact O-N 3.31Å
270F95.1Very high86.5Confident0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-61.5-39.3173.5-76.8-56.5000112.3L220 Y266 A272 L273 R274 L290 L294 L298 Y312 L315 V316 L319L220-F270 HydrophobicContact CD1-CD1 4.26Å; L220-F270 HydrophobicContact CD1-CE1 3.67Å; L220-F270 HydrophobicContact CD1-CZ 3.92Å; L220-F270 HydrophobicContact CD2-CD1 4.45Å; L220-F270 HydrophobicContact CD2-CD2 4.18Å; L220-F270 HydrophobicContact CD2-CE1 4.23Å; L220-F270 HydrophobicContact CD2-CE2 3.96Å; L220-F270 HydrophobicContact CD2-CG 4.41Å; L220-F270 HydrophobicContact CD2-CZ 3.98Å; Y266-F270 WeakPolarHBondContact O-CD2 3.34Å; Y266-F270 PolarHBondContact O-N 2.92Å; F270-A272 PolarHBondContact O-N 3.16Å; F270-L273 HydrophobicContact CD1-CD1 4.41Å; F270-L273 PolarHBondContact O-N 3.4Å; F270-R274 VanDerWaalsContact O-CB 3.27Å; F270-R274 WeakPolarHBondContact O-CB 2.95Å; F270-R274 PolarHBondContact O-N 3.37Å; F270-L290 HydrophobicContact CE1-CD2 4.38Å; F270-L294 HydrophobicContact CZ-CD1 4.32Å; F270-L294 HydrophobicContact CZ-CD2 4.21Å; F270-L298 HydrophobicContact CD1-CD1 4.3Å; F270-Y312 HydrophobicContact CB-CD1 3.57Å; F270-Y312 HydrophobicContact CB-CE1 4.17Å; F270-Y312 HydrophobicContact CB-CG 4.36Å; F270-L315 HydrophobicContact CB-CD1 4.11Å; F270-L315 HydrophobicContact CD1-CD1 4.1Å; F270-L315 HydrophobicContact CD2-CB 3.86Å; F270-L315 HydrophobicContact CD2-CD1 4.45Å; F270-L315 HydrophobicContact CE1-CD2 4.34Å; F270-L315 HydrophobicContact CE2-CB 3.89Å; F270-L315 HydrophobicContact CG-CB 4.23Å; F270-L315 HydrophobicContact CG-CD1 4Å; F270-L315 HydrophobicContact CZ-CB 4.28Å; F270-V316 HydrophobicContact CD2-CG2 4.41Å; F270-L319 HydrophobicContact CE2-CB 4.21Å; F270-L319 HydrophobicContact CE2-CD2 3.98Å; F270-L319 HydrophobicContact CZ-CB 4.15Å; F270-L319 HydrophobicContact CZ-CD2 4.11Å
271C92.8Very high87Confident11 Ų1123 Ų237%0.07411%0.107CC..Hα-helixtrans-60.6-46174.6-173.90000111.7S195 A267 N268 A269 R274 R275 Y312S195-C271 PolarHBondContact OG-SG 3.22Å; A267-C271 VanDerWaalsContact O-CB 3.23Å; A267-C271 WeakPolarHBondContact O-CB 3.37Å; A267-C271 PolarHBondContact O-N 2.85Å; N268-C271 PolarHBondContact O-N 3Å; A269-C271 VanDerWaalsContact C-N 3.32Å; A269-C271 PolarHBondContact O-N 3.35Å; C271-R274 PolarHBondContact O-N 3.12Å; C271-R275 WeakPolarHBondContact O-CG 3.35Å; C271-R275 PolarHBondContact O-N 3.18Å; C271-R275 VanDerWaalsContact O-N 3.11Å; C271-Y312 VanDerWaalsContact CA-CZ 3.44Å; C271-Y312 HydrophobicContact CB-CD2 4.19Å; C271-Y312 HydrophobicContact CB-CE1 4.16Å; C271-Y312 HydrophobicContact CB-CE2 3.68Å
272A93.5Very high87.2Confident0 Ų020.9 Ų20.90%010%0.095CC..Hα-helixtrans-62.3-45.2175.300000112.1I216 N268 A269 F270 R274 R275 L276I216-A272 HydrophobicContact CD1-CB 4.05Å; I216-A272 HydrophobicContact CG2-CB 4.09Å; N268-A272 WeakPolarHBondContact O-CB 3.49Å; N268-A272 PolarHBondContact O-N 3.33Å; A269-A272 PolarHBondContact O-N 2.83Å; F270-A272 PolarHBondContact O-N 3.16Å; A272-R274 PolarHBondContact O-N 3.18Å; A272-R275 PolarHBondContact O-N 3.37Å; A272-L276 WeakPolarHBondContact O-CB 3.41Å; A272-L276 VanDerWaalsContact O-CG 3.27Å; A272-L276 WeakPolarHBondContact O-CG 3.5Å; A272-L276 PolarHBondContact O-N 2.87Å
273L93.5Very high87.3Confident0 Ų021 Ų210%010%0.095CC..Hα-helixtrans-61.7-43.7176.9-70.7164.2000111.6I213 I216 L220 A269 F270 R275 L276 F277 I286 F289I213-L273 HydrophobicContact CG2-CD2 4.4Å; I216-L273 HydrophobicContact CG2-CD1 4.33Å; I216-L273 HydrophobicContact CG2-CD2 4.19Å; I216-L273 HydrophobicContact CG2-CG 3.85Å; L220-L273 HydrophobicContact CD1-CD1 3.99Å; A269-L273 WeakPolarHBondContact O-CB 3.4Å; A269-L273 VanDerWaalsContact O-CG 3.28Å; A269-L273 WeakPolarHBondContact O-CG 2.94Å; A269-L273 PolarHBondContact O-N 3.31Å; F270-L273 HydrophobicContact CD1-CD1 4.41Å; F270-L273 PolarHBondContact O-N 3.4Å; L273-R275 VanDerWaalsContact C-N 3.29Å; L273-R275 PolarHBondContact O-N 3.26Å; L273-L276 PolarHBondContact O-N 3.44Å; L273-F277 WeakPolarHBondContact O-CB 3.16Å; L273-F277 PolarHBondContact O-N 3.47Å; L273-I286 HydrophobicContact CD2-CD1 4.44Å; L273-I286 HydrophobicContact CD2-CG1 4.41Å; L273-I286 WeakPolarHBondContact O-CD1 3.17Å; L273-F289 HydrophobicContact CD1-CE1 3.62Å; L273-F289 HydrophobicContact CD1-CZ 3.6Å; L273-F289 HydrophobicContact CD2-CE1 3.78Å; L273-F289 HydrophobicContact CD2-CZ 4.26Å; L273-F289 HydrophobicContact CG-CE1 4.26Å
274R91.4Very high86.8Confident35 Ų3521.4 Ų21.413%0.13210%0.096CC..Hα-helixtrans-60.1-40.6178.7179.258-176.6118.7-12.4112F270 C271 A272 F277 L298 I299 I301 I303 Y312F270-R274 VanDerWaalsContact O-CB 3.27Å; F270-R274 WeakPolarHBondContact O-CB 2.95Å; F270-R274 PolarHBondContact O-N 3.37Å; C271-R274 PolarHBondContact O-N 3.12Å; A272-R274 PolarHBondContact O-N 3.18Å; R274-F277 WeakPolarHBondContact O-CB 3.21Å; R274-F277 PolarHBondContact O-N 3.38Å; R274-L298 HydrophobicContact CB-CD1 3.8Å; R274-L298 HydrophobicContact CB-CG 4.35Å; R274-L298 WeakPolarHBondContact CD-O 3.31Å; R274-L298 HydrophobicContact CG-CD1 4.47Å; R274-L298 PolarHBondContact NE-O 3.34Å; R274-I299 PolarHBondContact NH2-O 3.27Å; R274-I301 HydrophobicContact CG-CG2 4.42Å; R274-I301 VanDerWaalsContact CZ-O 3.3Å; R274-I301 PolarHBondContact NE-O 2.9Å; R274-I301 PolarHBondContact NH2-O 3.37Å; R274-I303 HydrophobicContact CG-CD1 3.72Å; R274-I303 HydrophobicContact CG-CG1 3.6Å; R274-I303 WeakPolarHBondContact O-CD1 3.19Å; R274-Y312 HydrophobicContact CB-CE1 3.96Å; R274-Y312 HydrophobicContact CG-CE1 4.39Å
275R89.3Confident86.4Confident41 Ų4119 Ų1916%0.1559%0.086CC..Hα-helixtrans-73.8-41.2177.6-67.2-173.6179.8172.81.9112.2S195 A198 M199 C271 A272 L273 F277 I278 I303S195-R275 WeakPolarHBondContact O-CD 3.36Å; S195-R275 PolarHBondContact O-NH1 3.36Å; S195-R275 WeakPolarHBondContact OG-CD 3.41Å; S195-R275 VanDerWaalsContact OG-CZ 3.27Å; S195-R275 PolarHBondContact OG-NE 2.89Å; S195-R275 PolarHBondContact OG-NH1 3.37Å; A198-R275 HydrophobicContact CB-CB 3.91Å; M199-R275 HydrophobicContact CE-CB 3.69Å; M199-R275 VanDerWaalsContact CE-CD 3.45Å; M199-R275 HydrophobicContact CE-CG 3.38Å; M199-R275 VanDerWaalsContact SD-CD 3.57Å; M199-R275 HydrophobicContact SD-CG 4.13Å; C271-R275 WeakPolarHBondContact O-CG 3.35Å; C271-R275 PolarHBondContact O-N 3.18Å; C271-R275 VanDerWaalsContact O-N 3.11Å; A272-R275 PolarHBondContact O-N 3.37Å; L273-R275 VanDerWaalsContact C-N 3.29Å; L273-R275 PolarHBondContact O-N 3.26Å; R275-F277 PolarHBondContact O-N 2.94Å; R275-I278 VanDerWaalsContact O-CB 3.32Å; R275-I278 WeakPolarHBondContact O-CB 3.49Å; R275-I278 VanDerWaalsContact O-CG1 3.29Å; R275-I278 WeakPolarHBondContact O-CG1 3.29Å; R275-I278 PolarHBondContact O-N 3.47Å; R275-I278 VanDerWaalsContact O-N 3.13Å; R275-I303 HydrophobicContact CG-CG2 4.24Å
276L90.3Very high86.2Confident0 Ų018.9 Ų18.90%09%0.086CC..Hα-helixtrans-61-32.8172.7-72.7168.6000111.9A198 A204 V207 I213 I216 A272 L273 I278 S279 N282 I286A198-L276 HydrophobicContact CB-CD2 3.72Å; A198-L276 HydrophobicContact CB-CG 3.89Å; A204-L276 HydrophobicContact CB-CD2 3.92Å; V207-L276 HydrophobicContact CB-CD2 4.01Å; V207-L276 HydrophobicContact CG1-CD1 4Å; V207-L276 HydrophobicContact CG1-CD2 3.96Å; I213-L276 HydrophobicContact CG1-CD1 4.21Å; I216-L276 HydrophobicContact CD1-CD1 3.69Å; A272-L276 WeakPolarHBondContact O-CB 3.41Å; A272-L276 VanDerWaalsContact O-CG 3.27Å; A272-L276 WeakPolarHBondContact O-CG 3.5Å; A272-L276 PolarHBondContact O-N 2.87Å; L273-L276 PolarHBondContact O-N 3.44Å; L276-I278 PolarHBondContact O-N 3.18Å; L276-S279 PolarHBondContact O-N 2.77Å; L276-N282 WeakPolarHBondContact O-CB 3.15Å; L276-N282 PolarHBondContact O-ND2 2.98Å; L276-I286 HydrophobicContact CB-CD1 4Å
277F88.2Confident85.8Confident8 Ų822.3 Ų22.34%0.03510%0.101CC..THydrogen-bonded Turntrans-63.3-18.6176.8-168.6-91.4000113.8L273 R274 R275 S279 R283 I286 K287 L295 I299L273-F277 WeakPolarHBondContact O-CB 3.16Å; L273-F277 PolarHBondContact O-N 3.47Å; R274-F277 WeakPolarHBondContact O-CB 3.21Å; R274-F277 PolarHBondContact O-N 3.38Å; R275-F277 PolarHBondContact O-N 2.94Å; F277-S279 VanDerWaalsContact C-N 3.26Å; F277-S279 PolarHBondContact O-N 2.65Å; F277-R283 HydrophobicContact CD1-CG 4.2Å; F277-R283 HydrophobicContact CD2-CG 3.96Å; F277-R283 HydrophobicContact CE1-CG 3.88Å; F277-R283 VanDerWaalsContact CE1-NE 3.27Å; F277-R283 HydrophobicContact CE2-CG 3.64Å; F277-R283 HydrophobicContact CG-CG 4.25Å; F277-R283 HydrophobicContact CZ-CG 3.61Å; F277-R283 VanDerWaalsContact CZ-NE 3.29Å; F277-I286 HydrophobicContact CB-CD1 3.99Å; F277-I286 HydrophobicContact CD2-CB 3.81Å; F277-I286 HydrophobicContact CD2-CD1 4.3Å; F277-I286 HydrophobicContact CD2-CG2 3.59Å; F277-I286 HydrophobicContact CE2-CB 4.41Å; F277-I286 HydrophobicContact CE2-CG2 4.16Å; F277-K287 HydrophobicContact CE2-CG 3.82Å; F277-K287 HydrophobicContact CZ-CG 4.17Å; F277-L295 HydrophobicContact CE2-CD1 3.98Å; F277-L295 HydrophobicContact CZ-CD1 4.36Å; F277-I299 HydrophobicContact CE1-CG1 4.02Å; F277-I299 HydrophobicContact CZ-CD1 4.02Å; F277-I299 HydrophobicContact CZ-CG1 3.86Å
278I80.4Confident84.9Confident44 Ų4425.1 Ų25.123%0.22612%0.12CC..THydrogen-bonded Turntrans-63-37.3174.7-59173.7000110.6M199 R275 L276 E280 I303 K454M199-I278 HydrophobicContact CE-CD1 3.43Å; M199-I278 VanDerWaalsContact CE-CD1 3.43Å; R275-I278 VanDerWaalsContact O-CB 3.32Å; R275-I278 WeakPolarHBondContact O-CB 3.49Å; R275-I278 VanDerWaalsContact O-CG1 3.29Å; R275-I278 WeakPolarHBondContact O-CG1 3.29Å; R275-I278 PolarHBondContact O-N 3.47Å; R275-I278 VanDerWaalsContact O-N 3.13Å; L276-I278 PolarHBondContact O-N 3.18Å; I278-E280 PolarHBondContact O-N 2.95Å; I278-I303 HydrophobicContact CD1-CD1 3.45Å; I278-I303 VanDerWaalsContact CD1-CD1 3.45Å; I278-I303 HydrophobicContact CD1-CG2 4.37Å; I278-I303 HydrophobicContact CG1-CD1 3.43Å; I278-I303 VanDerWaalsContact CG1-CD1 3.43Å; I278-K454 PolarHBondContact O-NZ 3.39Å
279S77Confident84.3Confident8 Ų824.3 Ų24.36%0.05612%0.116CC..SBendtrans-75.2122.9178173.40000110L276 F277 H281 N282 R283L276-S279 PolarHBondContact O-N 2.77Å; F277-S279 VanDerWaalsContact C-N 3.26Å; F277-S279 PolarHBondContact O-N 2.65Å; S279-H281 PolarHBondContact O-N 2.8Å; S279-N282 WeakPolarHBondContact O-CB 3.43Å; S279-N282 PolarHBondContact O-N 3.27Å; S279-R283 PolarHBondContact O-N 3.23Å
280E70Confident84Confident27 Ų2724.5 Ų24.513%0.12612%0.117CC..Hα-helixtrans-58.5-36.5-175.4-58-48131.900113I278 N282 R283 V442 L447 S450 K454I278-E280 PolarHBondContact O-N 2.95Å; E280-N282 VanDerWaalsContact C-N 3.26Å; E280-N282 PolarHBondContact O-N 3.34Å; E280-R283 WeakPolarHBondContact O-CB 3.47Å; E280-R283 PolarHBondContact O-N 3.25Å; E280-V442 HydrophobicContact CB-CB 4.43Å; E280-V442 HydrophobicContact CB-CG1 3.7Å; E280-V442 HydrophobicContact CB-CG2 4.15Å; E280-L447 HydrophobicContact CG-CD1 4.25Å; E280-S450 WeakPolarHBondContact OE1-CB 3.49Å; E280-S450 PolarHBondContact OE1-OG 2.88Å; E280-S450 WeakPolarHBondContact OE2-CB 3.06Å; E280-S450 PolarHBondContact OE2-OG 3.36Å; E280-K454 IonicContact OE1-NZ 3.17Å; E280-K454 PolarHBondContact OE1-NZ 2.63Å
281H71.3Confident83.7Confident70 Ų7024.5 Ų24.532%0.32412%0.117SC..Hα-helixtrans-60.4-38.5177.8-176.378.3000112S279 D440S279-H281 PolarHBondContact O-N 2.8Å; H281-D440 IonicContact CE1-OD1 2.72Å; H281-D440 PolarHBondContact CE1-OD1 2.71Å; H281-D440 IonicContact ND1-OD1 3.25Å
282N81.1Confident83.5Confident0 Ų028.3 Ų28.30%014%0.144CC..Hα-helixtrans-81.5-28.5-178.4-62-12.1000111.8A204 A208 I213 L276 S279 E280 R284 L285 I286A204-N282 PolarHBondContact O-ND2 3.2Å; A208-N282 WeakPolarHBondContact CB-OD1 3.02Å; I213-N282 HydrophobicContact CD1-CB 3.77Å; L276-N282 WeakPolarHBondContact O-CB 3.15Å; L276-N282 PolarHBondContact O-ND2 2.98Å; S279-N282 WeakPolarHBondContact O-CB 3.43Å; S279-N282 PolarHBondContact O-N 3.27Å; E280-N282 VanDerWaalsContact C-N 3.26Å; E280-N282 PolarHBondContact O-N 3.34Å; N282-R284 VanDerWaalsContact C-N 3.31Å; N282-R284 PolarHBondContact O-N 2.46Å; N282-L285 WeakPolarHBondContact O-CB 3.12Å; N282-L285 PolarHBondContact O-N 3.17Å; N282-L285 VanDerWaalsContact O-N 3.15Å; N282-I286 HydrophobicContact CB-CD1 4.44Å; N282-I286 WeakPolarHBondContact O-CG1 3.5Å; N282-I286 PolarHBondContact O-N 2.79Å
283R81.7Confident83.3Confident13 Ų1329.9 Ų29.95%0.04915%0.154CC..Hα-helixtrans-55.9-44-175.8-169.5174.9-175.8-166.6-7.1112.6F277 S279 E280 L285 I286 K287 E453F277-R283 HydrophobicContact CD1-CG 4.2Å; F277-R283 HydrophobicContact CD2-CG 3.96Å; F277-R283 HydrophobicContact CE1-CG 3.88Å; F277-R283 VanDerWaalsContact CE1-NE 3.27Å; F277-R283 HydrophobicContact CE2-CG 3.64Å; F277-R283 HydrophobicContact CG-CG 4.25Å; F277-R283 HydrophobicContact CZ-CG 3.61Å; F277-R283 VanDerWaalsContact CZ-NE 3.29Å; S279-R283 PolarHBondContact O-N 3.23Å; E280-R283 WeakPolarHBondContact O-CB 3.47Å; E280-R283 PolarHBondContact O-N 3.25Å; R283-L285 PolarHBondContact O-N 3.45Å; R283-I286 PolarHBondContact O-N 3.34Å; R283-K287 VanDerWaalsContact NH2-NZ 3.12Å; R283-K287 WeakPolarHBondContact O-CB 3.44Å; R283-K287 WeakPolarHBondContact O-CG 3.33Å; R283-K287 PolarHBondContact O-N 3.46Å; R283-E453 IonicContact CZ-OE1 3.89Å; R283-E453 IonicContact CZ-OE2 3.89Å; R283-E453 IonicContact NH1-OE1 2.9Å; R283-E453 IonicContact NH1-OE2 3.57Å; R283-E453 PolarHBondContact NH1-OE2 3.43Å; R283-E453 IonicContact NH2-OE1 3.87Å; R283-E453 PolarHBondContact NH2-OE1 2.84Å; R283-E453 IonicContact NH2-OE2 3.59Å; R283-E453 PolarHBondContact NH2-OE2 3.45Å
284R77.1Confident83.2Confident74 Ų7429.9 Ų29.928%0.27915%0.154SC..Hα-helixtrans-59.5-46.1178.1-170.9177.46880.69.7111.6N282 K287 S288 E354 L355N282-R284 VanDerWaalsContact C-N 3.31Å; N282-R284 PolarHBondContact O-N 2.46Å; R284-K287 PolarHBondContact O-N 3Å; R284-S288 PolarHBondContact O-N 3.09Å; R284-S288 VanDerWaalsContact O-N 3.14Å; R284-S288 PolarHBondContact O-OG 3.01Å; R284-E354 IonicContact CZ-OE1 2.73Å; R284-E354 IonicContact NH1-OE1 2.87Å; R284-E354 PolarHBondContact NH1-OE1 3.23Å; R284-E354 VanDerWaalsContact NH2-CD 3.26Å; R284-E354 IonicContact NH2-OE1 3.75Å; R284-E354 PolarHBondContact NH2-OE1 3.13Å; R284-E354 IonicContact NH2-OE2 3.68Å; R284-E354 PolarHBondContact NH2-OE2 2.79Å; R284-L355 PolarHBondContact NH1-O 2.77Å
285L79.8Confident83.2Confident27 Ų2729.5 Ų29.514%0.14116%0.155CC..Hα-helixtrans-62.4-45.9178.4-63.6172.9000111I213 N282 R283 S288 F289 C337I213-L285 HydrophobicContact CD1-CB 4.26Å; I213-L285 HydrophobicContact CD1-CD1 3.77Å; N282-L285 WeakPolarHBondContact O-CB 3.12Å; N282-L285 PolarHBondContact O-N 3.17Å; N282-L285 VanDerWaalsContact O-N 3.15Å; R283-L285 PolarHBondContact O-N 3.45Å; L285-S288 PolarHBondContact O-N 3.4Å; L285-S288 PolarHBondContact O-OG 2.97Å; L285-F289 VanDerWaalsContact O-CB 3.28Å; L285-F289 WeakPolarHBondContact O-CB 3.4Å; L285-F289 PolarHBondContact O-N 3.45Å; L285-F289 VanDerWaalsContact O-N 3.1Å; L285-C337 PolarHBondContact O-SG 2.88Å
286I86Confident83.1Confident0 Ų030.6 Ų30.60%017%0.169CC..Hα-helixtrans-68.8-37.2-177.9-64.3168.4000111.6I213 L273 L276 F277 N282 R283 S288 F289 L290 L298I213-I286 HydrophobicContact CG2-CG1 3.97Å; L273-I286 HydrophobicContact CD2-CD1 4.44Å; L273-I286 HydrophobicContact CD2-CG1 4.41Å; L273-I286 WeakPolarHBondContact O-CD1 3.17Å; L276-I286 HydrophobicContact CB-CD1 4Å; F277-I286 HydrophobicContact CB-CD1 3.99Å; F277-I286 HydrophobicContact CD2-CB 3.81Å; F277-I286 HydrophobicContact CD2-CD1 4.3Å; F277-I286 HydrophobicContact CD2-CG2 3.59Å; F277-I286 HydrophobicContact CE2-CB 4.41Å; F277-I286 HydrophobicContact CE2-CG2 4.16Å; N282-I286 HydrophobicContact CB-CD1 4.44Å; N282-I286 WeakPolarHBondContact O-CG1 3.5Å; N282-I286 PolarHBondContact O-N 2.79Å; R283-I286 PolarHBondContact O-N 3.34Å; I286-S288 VanDerWaalsContact C-N 3.33Å; I286-S288 PolarHBondContact O-N 3.31Å; I286-F289 HydrophobicContact CB-CD1 4.28Å; I286-F289 HydrophobicContact CG2-CD1 3.91Å; I286-F289 HydrophobicContact CG2-CE1 4.25Å; I286-F289 WeakPolarHBondContact O-CD1 3.41Å; I286-F289 PolarHBondContact O-N 3.44Å; I286-F289 VanDerWaalsContact O-N 3.1Å; I286-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 PolarHBondContact O-N 3.24Å; I286-L290 VanDerWaalsContact O-N 3.14Å; I286-L298 HydrophobicContact CG2-CD2 4.2Å
287K83.2Confident83.2Confident85 Ų8531.7 Ų31.737%0.3717%0.174SC..Hα-helixtrans-62.7-37.9173.8-76.9-172175.6-179.60112.8F277 R283 R284 F289 L295F277-K287 HydrophobicContact CE2-CG 3.82Å; F277-K287 HydrophobicContact CZ-CG 4.17Å; R283-K287 VanDerWaalsContact NH2-NZ 3.12Å; R283-K287 WeakPolarHBondContact O-CB 3.44Å; R283-K287 WeakPolarHBondContact O-CG 3.33Å; R283-K287 PolarHBondContact O-N 3.46Å; R284-K287 PolarHBondContact O-N 3Å; K287-F289 PolarHBondContact O-N 3.47Å; K287-L295 HydrophobicContact CB-CD2 4.35Å; K287-L295 HydrophobicContact CG-CD1 4.21Å; K287-L295 HydrophobicContact CG-CD2 4.1Å
288S75.5Confident83.3Confident64 Ų6431.3 Ų31.345%0.44817%0.172SC..Hα-helixtrans-75.6-13.7174.653.30000113.6R284 L285 I286R284-S288 PolarHBondContact O-N 3.09Å; R284-S288 VanDerWaalsContact O-N 3.14Å; R284-S288 PolarHBondContact O-OG 3.01Å; L285-S288 PolarHBondContact O-N 3.4Å; L285-S288 PolarHBondContact O-OG 2.97Å; I286-S288 VanDerWaalsContact C-N 3.33Å; I286-S288 PolarHBondContact O-N 3.31Å
289F79.2Confident83.5Confident3 Ų332.2 Ų32.21%0.01318%0.177CC..Hα-helixtrans-94.2-33.1-174.2137-104.1000113.4L220 L273 L285 I286 K287 L330 I334L220-F289 HydrophobicContact CD1-CE2 4.36Å; L220-F289 HydrophobicContact CD1-CZ 3.78Å; L273-F289 HydrophobicContact CD1-CE1 3.62Å; L273-F289 HydrophobicContact CD1-CZ 3.6Å; L273-F289 HydrophobicContact CD2-CE1 3.78Å; L273-F289 HydrophobicContact CD2-CZ 4.26Å; L273-F289 HydrophobicContact CG-CE1 4.26Å; L285-F289 VanDerWaalsContact O-CB 3.28Å; L285-F289 WeakPolarHBondContact O-CB 3.4Å; L285-F289 PolarHBondContact O-N 3.45Å; L285-F289 VanDerWaalsContact O-N 3.1Å; I286-F289 HydrophobicContact CB-CD1 4.28Å; I286-F289 HydrophobicContact CG2-CD1 3.91Å; I286-F289 HydrophobicContact CG2-CE1 4.25Å; I286-F289 WeakPolarHBondContact O-CD1 3.41Å; I286-F289 PolarHBondContact O-N 3.44Å; I286-F289 VanDerWaalsContact O-N 3.1Å; K287-F289 PolarHBondContact O-N 3.47Å; F289-L330 HydrophobicContact CD2-CD1 4.13Å; F289-L330 HydrophobicContact CE2-CD1 3.61Å; F289-L330 HydrophobicContact CZ-CD1 4.24Å; F289-I334 HydrophobicContact CD2-CB 4.36Å; F289-I334 HydrophobicContact CD2-CD1 4.39Å; F289-I334 HydrophobicContact CD2-CG1 3.37Å; F289-I334 HydrophobicContact CE2-CD1 3.89Å; F289-I334 HydrophobicContact CE2-CG1 3.29Å
290L88Confident83.9Confident5 Ų538.4 Ų38.43%0.02621%0.205CC..SBendtrans-99.3133-175.6-70.9172.7000112.7F270 I286 L294 L295 L298 L330F270-L290 HydrophobicContact CE1-CD2 4.38Å; I286-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 PolarHBondContact O-N 3.24Å; I286-L290 VanDerWaalsContact O-N 3.14Å; L290-L294 HydrophobicContact CB-CB 4.47Å; L290-L294 HydrophobicContact CD2-CB 4.24Å; L290-L294 HydrophobicContact CD2-CD1 4.22Å; L290-L295 HydrophobicContact CB-CB 4.03Å; L290-L295 HydrophobicContact CD1-CD1 4.39Å; L290-L298 HydrophobicContact CD1-CB 4.47Å; L290-L298 HydrophobicContact CD1-CD2 3.5Å; L290-L298 VanDerWaalsContact CD1-CD2 3.5Å; L290-L330 HydrophobicContact CD2-CD1 4Å
291P89Confident84.7Confident0 Ų037.7 Ų37.70%020%0.202CC..  trans-51150.5163.9-26.234.2000112S293 L294 L295 E326 E329 L330P291-S293 VanDerWaalsContact C-N 3.25Å; P291-S293 PolarHBondContact O-N 3.21Å; P291-L294 PolarHBondContact O-N 3.47Å; P291-L294 VanDerWaalsContact O-N 3.11Å; P291-L295 WeakPolarHBondContact O-CB 3.32Å; P291-L295 PolarHBondContact O-N 3.46Å; P291-E326 HydrophobicContact CB-CB 4.28Å; P291-E326 HydrophobicContact CG-CB 4.36Å; P291-E326 VanDerWaalsContact CG-O 3.24Å; P291-E326 WeakPolarHBondContact CG-O 3.46Å; P291-E329 HydrophobicContact CG-CB 4.43Å; P291-L330 HydrophobicContact CG-CB 3.95Å
292S87.9Confident85.2Confident91 Ų9138 Ų3864%0.63621%0.206SC*.Hα-helixtrans-57.5-36.9-173.9-67.10000113.3L295 S296S292-L295 PolarHBondContact O-N 2.87Å; S292-S296 WeakPolarHBondContact O-CB 3.22Å; S292-S296 PolarHBondContact O-N 2.72Å; S292-S296 PolarHBondContact O-OG 3.1Å
293S88.5Confident85Confident32 Ų3239 Ų3922%0.22421%0.211CC..Hα-helixtrans-59.5-5117649.10000111.6P291 S296 E326P291-S293 VanDerWaalsContact C-N 3.25Å; P291-S293 PolarHBondContact O-N 3.21Å; S293-S296 PolarHBondContact O-OG 3.48Å; S293-E326 WeakPolarHBondContact CB-OE1 3.41Å; S293-E326 PolarHBondContact OG-OE1 3.23Å
294L93Very high84.7Confident0 Ų045.5 Ų45.50%025%0.247CC..Hα-helixtrans-68.9-39.9176.6-68.8180000113F270 L290 P291 S296 E297 L298 L315 L318 L319 L322F270-L294 HydrophobicContact CZ-CD1 4.32Å; F270-L294 HydrophobicContact CZ-CD2 4.21Å; L290-L294 HydrophobicContact CB-CB 4.47Å; L290-L294 HydrophobicContact CD2-CB 4.24Å; L290-L294 HydrophobicContact CD2-CD1 4.22Å; P291-L294 PolarHBondContact O-N 3.47Å; P291-L294 VanDerWaalsContact O-N 3.11Å; L294-S296 VanDerWaalsContact C-N 3.33Å; L294-S296 PolarHBondContact O-N 3.19Å; L294-E297 PolarHBondContact O-N 3.14Å; L294-L298 WeakPolarHBondContact O-CB 3.01Å; L294-L298 PolarHBondContact O-N 3.33Å; L294-L315 HydrophobicContact CB-CD2 4.35Å; L294-L315 HydrophobicContact CD2-CD2 3.84Å; L294-L315 WeakPolarHBondContact O-CD2 3.48Å; L294-L318 HydrophobicContact CD2-CB 3.61Å; L294-L319 HydrophobicContact CD1-CD1 4.11Å; L294-L319 HydrophobicContact CD2-CB 4.44Å; L294-L322 HydrophobicContact CD1-CD1 3.99Å; L294-L322 HydrophobicContact CD1-CD2 4.47Å; L294-L322 HydrophobicContact CG-CD2 4.35Å
295L91Very high84.5Confident27 Ų2746.6 Ų46.614%0.14126%0.262CS..Hα-helixtrans-63.2-41.6-178.9-17962.4000111.5F277 K287 L290 P291 S292 L298 I299F277-L295 HydrophobicContact CE2-CD1 3.98Å; F277-L295 HydrophobicContact CZ-CD1 4.36Å; K287-L295 HydrophobicContact CB-CD2 4.35Å; K287-L295 HydrophobicContact CG-CD1 4.21Å; K287-L295 HydrophobicContact CG-CD2 4.1Å; L290-L295 HydrophobicContact CB-CB 4.03Å; L290-L295 HydrophobicContact CD1-CD1 4.39Å; P291-L295 WeakPolarHBondContact O-CB 3.32Å; P291-L295 PolarHBondContact O-N 3.46Å; S292-L295 PolarHBondContact O-N 2.87Å; L295-L298 PolarHBondContact O-N 3.11Å; L295-I299 HydrophobicContact CD1-CD1 3.96Å; L295-I299 HydrophobicContact CD1-CG1 4.3Å; L295-I299 HydrophobicContact CG-CD1 3.92Å; L295-I299 VanDerWaalsContact O-CG1 3.28Å; L295-I299 WeakPolarHBondContact O-CG1 3.16Å; L295-I299 PolarHBondContact O-N 3.34Å; L295-I299 VanDerWaalsContact O-N 3.09Å
296S87.8Confident84.4Confident64 Ų6446.4 Ų46.445%0.44826%0.262SS..Hα-helixtrans-59-50.8178.366.60000111.4S292 S293 L294 L298 I299 E300S292-S296 WeakPolarHBondContact O-CB 3.22Å; S292-S296 PolarHBondContact O-N 2.72Å; S292-S296 PolarHBondContact O-OG 3.1Å; S293-S296 PolarHBondContact O-OG 3.48Å; L294-S296 VanDerWaalsContact C-N 3.33Å; L294-S296 PolarHBondContact O-N 3.19Å; S296-L298 PolarHBondContact O-N 3.46Å; S296-I299 PolarHBondContact O-N 2.92Å; S296-E300 PolarHBondContact O-N 3.13Å
297E90.7Very high83.5Confident24 Ų2452.5 Ų52.511%0.11230%0.299CS..Hα-helixtrans-64.5-39.9179.1-167.266.7-151.700112.3L294 I299 E300 I301 K314 L315 L318L294-E297 PolarHBondContact O-N 3.14Å; E297-I299 VanDerWaalsContact C-N 3.29Å; E297-I299 PolarHBondContact O-N 3.48Å; E297-E300 PolarHBondContact O-N 3.49Å; E297-I301 PolarHBondContact O-N 3.15Å; E297-K314 HydrophobicContact CG-CG 4.19Å; E297-K314 WeakPolarHBondContact OE1-CD 3.49Å; E297-K314 WeakPolarHBondContact OE1-CE 3.46Å; E297-K314 IonicContact OE1-NZ 3.27Å; E297-K314 PolarHBondContact OE1-NZ 2.88Å; E297-K314 WeakPolarHBondContact OE2-CE 3.47Å; E297-K314 IonicContact OE2-NZ 2.9Å; E297-K314 PolarHBondContact OE2-NZ 3.15Å; E297-L315 HydrophobicContact CB-CD2 3.66Å; E297-L315 HydrophobicContact CB-CG 4.1Å; E297-L315 HydrophobicContact CG-CD2 3.89Å; E297-L315 HydrophobicContact CG-CG 3.76Å; E297-L318 HydrophobicContact CB-CD1 3.91Å; E297-L318 HydrophobicContact CG-CD1 4.01Å
298L90.5Very high83.2Confident0 Ų052 Ų520%030%0.3CS..Hα-helixtrans-60-41.8177.1-170.276.8000111.3F270 R274 I286 L290 L294 L295 S296 E300 I301 L315F270-L298 HydrophobicContact CD1-CD1 4.3Å; R274-L298 HydrophobicContact CB-CD1 3.8Å; R274-L298 HydrophobicContact CB-CG 4.35Å; R274-L298 WeakPolarHBondContact CD-O 3.31Å; R274-L298 HydrophobicContact CG-CD1 4.47Å; R274-L298 PolarHBondContact NE-O 3.34Å; I286-L298 HydrophobicContact CG2-CD2 4.2Å; L290-L298 HydrophobicContact CD1-CB 4.47Å; L290-L298 HydrophobicContact CD1-CD2 3.5Å; L290-L298 VanDerWaalsContact CD1-CD2 3.5Å; L294-L298 WeakPolarHBondContact O-CB 3.01Å; L294-L298 PolarHBondContact O-N 3.33Å; L295-L298 PolarHBondContact O-N 3.11Å; S296-L298 PolarHBondContact O-N 3.46Å; L298-E300 VanDerWaalsContact C-N 3.34Å; L298-I301 PolarHBondContact O-N 3.42Å; L298-L315 HydrophobicContact CB-CD1 4.3Å; L298-L315 HydrophobicContact CB-CD2 4.42Å; L298-L315 HydrophobicContact CD1-CD1 3.62Å
299I85.2Confident83.4Confident62 Ų6250.6 Ų50.632%0.31829%0.29SS..Hα-helixtrans-67.7-36.6-178.8-68.9167.7000111.1R274 F277 L295 S296 E297 I301R274-I299 PolarHBondContact NH2-O 3.27Å; F277-I299 HydrophobicContact CE1-CG1 4.02Å; F277-I299 HydrophobicContact CZ-CD1 4.02Å; F277-I299 HydrophobicContact CZ-CG1 3.86Å; L295-I299 HydrophobicContact CD1-CD1 3.96Å; L295-I299 HydrophobicContact CD1-CG1 4.3Å; L295-I299 HydrophobicContact CG-CD1 3.92Å; L295-I299 VanDerWaalsContact O-CG1 3.28Å; L295-I299 WeakPolarHBondContact O-CG1 3.16Å; L295-I299 PolarHBondContact O-N 3.34Å; L295-I299 VanDerWaalsContact O-N 3.09Å; S296-I299 PolarHBondContact O-N 2.92Å; E297-I299 VanDerWaalsContact C-N 3.29Å; E297-I299 PolarHBondContact O-N 3.48Å; I299-I301 PolarHBondContact O-N 3.06Å
300E85.3Confident83.5Confident138 Ų13855.1 Ų55.165%0.64531%0.314SS*.Hα-helixtrans-64-27.7178.2-72.1-169.7172.500113.2S296 E297 L298 N302S296-E300 PolarHBondContact O-N 3.13Å; E297-E300 PolarHBondContact O-N 3.49Å; L298-E300 VanDerWaalsContact C-N 3.34Å; E300-N302 PolarHBondContact O-N 3.49Å; E300-N302 VanDerWaalsContact O-N 3.14Å
301I86.4Confident83.4Confident13 Ų1356.6 Ų56.67%0.06733%0.33CS..SBendtrans-63.8118.7178.9-66174.2000110.4R274 E297 L298 I299 I303 T306 Y312 L315R274-I301 HydrophobicContact CG-CG2 4.42Å; R274-I301 VanDerWaalsContact CZ-O 3.3Å; R274-I301 PolarHBondContact NE-O 2.9Å; R274-I301 PolarHBondContact NH2-O 3.37Å; E297-I301 PolarHBondContact O-N 3.15Å; L298-I301 PolarHBondContact O-N 3.42Å; I299-I301 PolarHBondContact O-N 3.06Å; I301-I303 PolarHBondContact O-N 3.19Å; I301-T306 HydrophobicContact CG2-CG2 4.28Å; I301-Y312 HydrophobicContact CD1-CD1 3.52Å; I301-Y312 HydrophobicContact CD1-CE1 3.61Å; I301-Y312 HydrophobicContact CD1-CG 4.21Å; I301-Y312 HydrophobicContact CG2-CE1 4.17Å; I301-L315 HydrophobicContact CD1-CD1 3.4Å; I301-L315 VanDerWaalsContact CD1-CD1 3.4Å; I301-L315 HydrophobicContact CD1-CG 4.26Å
302N82.9Confident83.6Confident76 Ų7656.7 Ų56.741%0.40633%0.33SS..  trans-85.1109.3174.1-179.4-12000110.8E300 N304 T305 T306E300-N302 PolarHBondContact O-N 3.49Å; E300-N302 VanDerWaalsContact O-N 3.14Å; N302-N304 PolarHBondContact O-N 3.1Å; N302-N304 WeakPolarHBondContact OD1-CB 3.4Å; N302-N304 PolarHBondContact OD1-N 2.76Å; N302-T305 VanDerWaalsContact CB-OG1 3.3Å; N302-T305 WeakPolarHBondContact CB-OG1 3.42Å; N302-T305 PolarHBondContact O-N 3.28Å; N302-T305 PolarHBondContact O-OG1 2.67Å; N302-T306 WeakPolarHBondContact O-CB 3.41Å; N302-T306 PolarHBondContact O-N 2.69Å; N302-T306 PolarHBondContact O-OG1 3.41Å; N302-T306 VanDerWaalsContact O-OG1 3.07Å
303I77.4Confident83.7Confident22 Ų2257.6 Ų57.611%0.11333%0.325CS..THydrogen-bonded Turntrans-61.8-29.1-176.3-58.8179.2000113M199 R274 R275 I278 I301M199-I303 HydrophobicContact CE-CG2 3.76Å; M199-I303 HydrophobicContact SD-CG2 4.09Å; R274-I303 HydrophobicContact CG-CD1 3.72Å; R274-I303 HydrophobicContact CG-CG1 3.6Å; R274-I303 WeakPolarHBondContact O-CD1 3.19Å; R275-I303 HydrophobicContact CG-CG2 4.24Å; I278-I303 HydrophobicContact CD1-CD1 3.45Å; I278-I303 VanDerWaalsContact CD1-CD1 3.45Å; I278-I303 HydrophobicContact CD1-CG2 4.37Å; I278-I303 HydrophobicContact CG1-CD1 3.43Å; I278-I303 VanDerWaalsContact CG1-CD1 3.43Å; I301-I303 PolarHBondContact O-N 3.19Å
304N74.8Confident83.9Confident148 Ų14861.6 Ų61.679%0.79134%0.338SS*.THydrogen-bonded Turntrans-78.4-28-177.4-62.5-34.4000112.1N302N302-N304 PolarHBondContact O-N 3.1Å; N302-N304 WeakPolarHBondContact OD1-CB 3.4Å; N302-N304 PolarHBondContact OD1-N 2.76Å
305T73.3Confident83.9Confident97 Ų9761.6 Ų61.660%0.59534%0.338SS*.THydrogen-bonded Turntrans-97.5-29.8-179.954.50000112.3N302 T307N302-T305 VanDerWaalsContact CB-OG1 3.3Å; N302-T305 WeakPolarHBondContact CB-OG1 3.42Å; N302-T305 PolarHBondContact O-N 3.28Å; N302-T305 PolarHBondContact O-OG1 2.67Å; T305-T307 PolarHBondContact O-N 3.14Å; T305-T307 VanDerWaalsContact O-N 3.15Å
306T76.6Confident84Confident24 Ų2460.4 Ų60.415%0.14733%0.332CS..  trans-81.794.8179.9-56.80000110.4I301 N302 Y312I301-T306 HydrophobicContact CG2-CG2 4.28Å; N302-T306 WeakPolarHBondContact O-CB 3.41Å; N302-T306 PolarHBondContact O-N 2.69Å; N302-T306 PolarHBondContact O-OG1 3.41Å; N302-T306 VanDerWaalsContact O-OG1 3.07Å; T306-Y312 HydrophobicContact CG2-CD2 4.22Å; T306-Y312 HydrophobicContact CG2-CE2 3.71Å
307T67.8Low84.2Confident128 Ų12860.6 Ų60.679%0.78533%0.328SS*.  trans-87.4-23.2-177.952.10000114T305T305-T307 PolarHBondContact O-N 3.14Å; T305-T307 VanDerWaalsContact O-N 3.15Å
308D76.7Confident84.3Confident73 Ų7361.8 Ų61.839%0.3934%0.335SS..SBendtrans-121.4174.4-173.872.14.3000112.5N310 G311D308-N310 VanDerWaalsContact C-N 3.27Å; D308-N310 WeakPolarHBondContact OD1-CB 3.28Å; D308-N310 PolarHBondContact OD1-N 3.26Å; D308-N310 PolarHBondContact OD2-ND2 2.84Å; D308-G311 PolarHBondContact OD1-N 2.94Å
309T78.8Confident84.3Confident36 Ų3662.2 Ų62.222%0.22134%0.337CS..SBendtrans-75.6-16177.648.30000113A267 N268 G311 Y312A267-T309 HydrophobicContact CB-CG2 4.31Å; N268-T309 WeakPolarHBondContact ND2-CG2 3.23Å; T309-G311 VanDerWaalsContact C-N 3.26Å; T309-G311 PolarHBondContact O-N 2.93Å; T309-Y312 WeakPolarHBondContact O-CB 3.39Å; T309-Y312 PolarHBondContact O-N 3.29Å; T309-Y312 VanDerWaalsContact O-N 3.12Å
310N83.1Confident84.3Confident97 Ų9763.9 Ų63.952%0.51934%0.344SS..G310 helixtrans-67.3-31.4-179.4-60.3-31.7000111.2D308 Y312 E313D308-N310 VanDerWaalsContact C-N 3.27Å; D308-N310 WeakPolarHBondContact OD1-CB 3.28Å; D308-N310 PolarHBondContact OD1-N 3.26Å; D308-N310 PolarHBondContact OD2-ND2 2.84Å; N310-Y312 PolarHBondContact O-N 3.37Å; N310-E313 VanDerWaalsContact O-CB 3.31Å; N310-E313 WeakPolarHBondContact O-CB 3.49Å; N310-E313 PolarHBondContact O-N 3.07Å
311G85.6Confident84.5Confident36 Ų3661.4 Ų61.437%0.37134%0.341SS..G310 helixtrans-62.4-4.1172.600000115.5D308 T309D308-G311 PolarHBondContact OD1-N 2.94Å; T309-G311 VanDerWaalsContact C-N 3.26Å; T309-G311 PolarHBondContact O-N 2.93Å
312Y92.4Very high84.6Confident2 Ų261.9 Ų61.91%0.00834%0.344CS..G310 helixtrans-106.13.9175.4-64.7-94.1000113.1F270 C271 R274 I301 T306 T309 N310 K314 L315 V316F270-Y312 HydrophobicContact CB-CD1 3.57Å; F270-Y312 HydrophobicContact CB-CE1 4.17Å; F270-Y312 HydrophobicContact CB-CG 4.36Å; C271-Y312 VanDerWaalsContact CA-CZ 3.44Å; C271-Y312 HydrophobicContact CB-CD2 4.19Å; C271-Y312 HydrophobicContact CB-CE1 4.16Å; C271-Y312 HydrophobicContact CB-CE2 3.68Å; R274-Y312 HydrophobicContact CB-CE1 3.96Å; R274-Y312 HydrophobicContact CG-CE1 4.39Å; I301-Y312 HydrophobicContact CD1-CD1 3.52Å; I301-Y312 HydrophobicContact CD1-CE1 3.61Å; I301-Y312 HydrophobicContact CD1-CG 4.21Å; I301-Y312 HydrophobicContact CG2-CE1 4.17Å; T306-Y312 HydrophobicContact CG2-CD2 4.22Å; T306-Y312 HydrophobicContact CG2-CE2 3.71Å; T309-Y312 WeakPolarHBondContact O-CB 3.39Å; T309-Y312 PolarHBondContact O-N 3.29Å; T309-Y312 VanDerWaalsContact O-N 3.12Å; N310-Y312 PolarHBondContact O-N 3.37Å; Y312-K314 VanDerWaalsContact C-N 3.3Å; Y312-K314 PolarHBondContact O-N 3.03Å; Y312-L315 HydrophobicContact CD1-CD1 3.88Å; Y312-L315 WeakPolarHBondContact O-CB 3.39Å; Y312-L315 PolarHBondContact O-N 3.16Å; Y312-L315 VanDerWaalsContact O-N 3.12Å; Y312-V316 WeakPolarHBondContact O-CG2 3.22Å; Y312-V316 PolarHBondContact O-N 2.68Å
313E90.6Very high84.9Confident111 Ų11162 Ų6252%0.51935%0.345SS..Hα-helixtrans-58.8-39.2-176-177.9169.5-159.600113.1N310 L315 V316 N317N310-E313 VanDerWaalsContact O-CB 3.31Å; N310-E313 WeakPolarHBondContact O-CB 3.49Å; N310-E313 PolarHBondContact O-N 3.07Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 2.84Å; E313-V316 WeakPolarHBondContact O-CB 3.46Å; E313-V316 PolarHBondContact O-N 2.76Å; E313-V316 VanDerWaalsContact O-N 3.16Å; E313-N317 PolarHBondContact O-N 2.81Å; E313-N317 PolarHBondContact O-ND2 3.31Å
314K91.8Very high85.2Confident115 Ų11567.4 Ų67.450%0.537%0.374SS..Hα-helixtrans-62.5-39.4177.3-173.3163.2161.9-134.90112.3E297 Y312 N317 L318E297-K314 HydrophobicContact CG-CG 4.19Å; E297-K314 WeakPolarHBondContact OE1-CD 3.49Å; E297-K314 WeakPolarHBondContact OE1-CE 3.46Å; E297-K314 IonicContact OE1-NZ 3.27Å; E297-K314 PolarHBondContact OE1-NZ 2.88Å; E297-K314 WeakPolarHBondContact OE2-CE 3.47Å; E297-K314 IonicContact OE2-NZ 2.9Å; E297-K314 PolarHBondContact OE2-NZ 3.15Å; Y312-K314 VanDerWaalsContact C-N 3.3Å; Y312-K314 PolarHBondContact O-N 3.03Å; K314-N317 PolarHBondContact O-N 2.88Å; K314-L318 WeakPolarHBondContact O-CG 3.24Å; K314-L318 PolarHBondContact O-N 3.4Å
315L93.9Very high85.8Confident0 Ų067.9 Ų67.90%037%0.371CS..Hα-helixtrans-65.2-40.3172.8-84.5169.7000112.5F270 L294 E297 L298 I301 Y312 E313 L318 L319F270-L315 HydrophobicContact CB-CD1 4.11Å; F270-L315 HydrophobicContact CD1-CD1 4.1Å; F270-L315 HydrophobicContact CD2-CB 3.86Å; F270-L315 HydrophobicContact CD2-CD1 4.45Å; F270-L315 HydrophobicContact CE1-CD2 4.34Å; F270-L315 HydrophobicContact CE2-CB 3.89Å; F270-L315 HydrophobicContact CG-CB 4.23Å; F270-L315 HydrophobicContact CG-CD1 4Å; F270-L315 HydrophobicContact CZ-CB 4.28Å; L294-L315 HydrophobicContact CB-CD2 4.35Å; L294-L315 HydrophobicContact CD2-CD2 3.84Å; L294-L315 WeakPolarHBondContact O-CD2 3.48Å; E297-L315 HydrophobicContact CB-CD2 3.66Å; E297-L315 HydrophobicContact CB-CG 4.1Å; E297-L315 HydrophobicContact CG-CD2 3.89Å; E297-L315 HydrophobicContact CG-CG 3.76Å; L298-L315 HydrophobicContact CB-CD1 4.3Å; L298-L315 HydrophobicContact CB-CD2 4.42Å; L298-L315 HydrophobicContact CD1-CD1 3.62Å; I301-L315 HydrophobicContact CD1-CD1 3.4Å; I301-L315 VanDerWaalsContact CD1-CD1 3.4Å; I301-L315 HydrophobicContact CD1-CG 4.26Å; Y312-L315 HydrophobicContact CD1-CD1 3.88Å; Y312-L315 WeakPolarHBondContact O-CB 3.39Å; Y312-L315 PolarHBondContact O-N 3.16Å; Y312-L315 VanDerWaalsContact O-N 3.12Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 2.84Å; L315-L318 PolarHBondContact O-N 3.02Å; L315-L319 WeakPolarHBondContact O-CB 3.48Å; L315-L319 PolarHBondContact O-N 3.03Å
316V92.2Very high86.6Confident3 Ų365.5 Ų65.52%0.01835%0.353CS..Hα-helixtrans-61.6-46.4176.9171.30000110.5R263 Y266 A267 F270 Y312 E313 L318 L319 E320R263-V316 HydrophobicContact CB-CG1 4.19Å; R263-V316 HydrophobicContact CG-CG1 4.08Å; Y266-V316 HydrophobicContact CD2-CG1 4.14Å; A267-V316 HydrophobicContact CB-CG2 4.21Å; F270-V316 HydrophobicContact CD2-CG2 4.41Å; Y312-V316 WeakPolarHBondContact O-CG2 3.22Å; Y312-V316 PolarHBondContact O-N 2.68Å; E313-V316 WeakPolarHBondContact O-CB 3.46Å; E313-V316 PolarHBondContact O-N 2.76Å; E313-V316 VanDerWaalsContact O-N 3.16Å; V316-L318 PolarHBondContact O-N 3.44Å; V316-L319 WeakPolarHBondContact O-CB 3.49Å; V316-L319 PolarHBondContact O-N 3.03Å; V316-E320 WeakPolarHBondContact O-CG 3.43Å; V316-E320 PolarHBondContact O-N 2.78Å; V316-E320 VanDerWaalsContact O-N 3.07Å
317N91.5Very high86.9Confident68 Ų6865.8 Ų65.836%0.36435%0.352SS..Hα-helixtrans-62-42.8176.4-66.5-24.2000111.7R263 E313 K314 L319 E320 S321R263-N317 PolarHBondContact NH2-OD1 2.8Å; E313-N317 PolarHBondContact O-N 2.81Å; E313-N317 PolarHBondContact O-ND2 3.31Å; K314-N317 PolarHBondContact O-N 2.88Å; N317-L319 PolarHBondContact O-N 2.75Å; N317-E320 PolarHBondContact O-N 3.15Å; N317-S321 WeakPolarHBondContact O-CB 3.41Å; N317-S321 PolarHBondContact O-N 2.83Å; N317-S321 PolarHBondContact O-OG 2.9Å
318L93.3Very high87.6Confident48 Ų4863.9 Ų63.925%0.25134%0.337SS..Hα-helixtrans-60.6-45175.9-75.9171.4000111.7L294 E297 K314 L315 V316 E320 S321 L322L294-L318 HydrophobicContact CD2-CB 3.61Å; E297-L318 HydrophobicContact CB-CD1 3.91Å; E297-L318 HydrophobicContact CG-CD1 4.01Å; K314-L318 WeakPolarHBondContact O-CG 3.24Å; K314-L318 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.02Å; V316-L318 PolarHBondContact O-N 3.44Å; L318-E320 VanDerWaalsContact C-N 3.34Å; L318-E320 PolarHBondContact O-N 2.77Å; L318-S321 WeakPolarHBondContact CA-OG 3.25Å; L318-S321 CarbonylContact O-C 3.57Å; L318-S321 PolarHBondContact O-N 3Å; L318-S321 VanDerWaalsContact O-N 3.13Å; L318-S321 PolarHBondContact O-OG 2.84Å; L318-L322 WeakPolarHBondContact O-CG 3.49Å; L318-L322 PolarHBondContact O-N 2.97Å; L318-L322 VanDerWaalsContact O-N 3.1Å
319L90.2Very high88Confident10 Ų1065 Ų655%0.05234%0.34CS..Hα-helixtrans-58.4-44.617817967.6000112L220 Y266 F270 L294 L315 V316 N317 S321 L322 L330L220-L319 HydrophobicContact CB-CD1 4.39Å; L220-L319 HydrophobicContact CB-CD2 4.08Å; L220-L319 HydrophobicContact CD2-CD2 4.06Å; Y266-L319 HydrophobicContact CD1-CD2 4.02Å; Y266-L319 HydrophobicContact CD2-CD2 3.88Å; Y266-L319 HydrophobicContact CE1-CD2 4.28Å; Y266-L319 HydrophobicContact CE2-CD2 4.11Å; Y266-L319 HydrophobicContact CG-CD2 3.81Å; F270-L319 HydrophobicContact CE2-CB 4.21Å; F270-L319 HydrophobicContact CE2-CD2 3.98Å; F270-L319 HydrophobicContact CZ-CB 4.15Å; F270-L319 HydrophobicContact CZ-CD2 4.11Å; L294-L319 HydrophobicContact CD1-CD1 4.11Å; L294-L319 HydrophobicContact CD2-CB 4.44Å; L315-L319 WeakPolarHBondContact O-CB 3.48Å; L315-L319 PolarHBondContact O-N 3.03Å; V316-L319 WeakPolarHBondContact O-CB 3.49Å; V316-L319 PolarHBondContact O-N 3.03Å; N317-L319 PolarHBondContact O-N 2.75Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 3.37Å; L319-L322 HydrophobicContact CD1-CD1 3.94Å; L319-L322 WeakPolarHBondContact O-CG 3.5Å; L319-L322 PolarHBondContact O-N 2.81Å; L319-L330 HydrophobicContact CD1-CD2 3.62Å
320E86.7Confident88.4Confident97 Ų9763.2 Ų63.245%0.45333%0.329SS..Hα-helixtrans-68.2-29.3178.3-71.3173.8174.500112.3R263 V316 N317 L318R263-E320 IonicContact CZ-OE1 3.68Å; R263-E320 IonicContact CZ-OE2 3.71Å; R263-E320 IonicContact NH1-OE1 2.69Å; R263-E320 PolarHBondContact NH1-OE1 2.86Å; R263-E320 IonicContact NH1-OE2 3.52Å; R263-E320 PolarHBondContact NH1-OE2 3.08Å; V316-E320 WeakPolarHBondContact O-CG 3.43Å; V316-E320 PolarHBondContact O-N 2.78Å; V316-E320 VanDerWaalsContact O-N 3.07Å; N317-E320 PolarHBondContact O-N 3.15Å; L318-E320 VanDerWaalsContact C-N 3.34Å; L318-E320 PolarHBondContact O-N 2.77Å
321S89Confident88.4Confident85 Ų8560.8 Ų60.859%0.59432%0.315SS*.THydrogen-bonded Turntrans-89.60.6179.572.10000115.1N317 L318 L319 N323N317-S321 WeakPolarHBondContact O-CB 3.41Å; N317-S321 PolarHBondContact O-N 2.83Å; N317-S321 PolarHBondContact O-OG 2.9Å; L318-S321 WeakPolarHBondContact CA-OG 3.25Å; L318-S321 CarbonylContact O-C 3.57Å; L318-S321 PolarHBondContact O-N 3Å; L318-S321 VanDerWaalsContact O-N 3.13Å; L318-S321 PolarHBondContact O-OG 2.84Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 3.37Å; S321-N323 PolarHBondContact O-N 2.89Å
322L87.1Confident88.2Confident23 Ų2364.3 Ų64.312%0.1233%0.326CS..  trans-58.4135.7-178.6-70-175.1000111.4L294 L318 L319 E326 Y327 L330L294-L322 HydrophobicContact CD1-CD1 3.99Å; L294-L322 HydrophobicContact CD1-CD2 4.47Å; L294-L322 HydrophobicContact CG-CD2 4.35Å; L318-L322 WeakPolarHBondContact O-CG 3.49Å; L318-L322 PolarHBondContact O-N 2.97Å; L318-L322 VanDerWaalsContact O-N 3.1Å; L319-L322 HydrophobicContact CD1-CD1 3.94Å; L319-L322 WeakPolarHBondContact O-CG 3.5Å; L319-L322 PolarHBondContact O-N 2.81Å; L322-E326 HydrophobicContact CB-CB 4.36Å; L322-E326 HydrophobicContact CD2-CB 3.95Å; L322-Y327 HydrophobicContact CD1-CD2 4.47Å; L322-L330 HydrophobicContact CD1-CD2 4.13Å
323N89.1Confident87.8Confident80 Ų8064.5 Ų64.543%0.42833%0.328SS..  trans-71.9170.2169.770.248.7000110.9S321 E325 E326 Y327S321-N323 PolarHBondContact O-N 2.89Å; N323-E325 VanDerWaalsContact C-N 3.27Å; N323-E325 PolarHBondContact O-N 2.98Å; N323-E325 WeakPolarHBondContact OD1-CA 3.49Å; N323-E325 WeakPolarHBondContact OD1-CB 3.32Å; N323-E325 PolarHBondContact OD1-N 2.85Å; N323-E326 PolarHBondContact N-OE2 3.41Å; N323-E326 PolarHBondContact ND2-OE2 3.43Å; N323-E326 VanDerWaalsContact ND2-OE2 3.13Å; N323-E326 PolarHBondContact OD1-N 2.99Å; N323-Y327 VanDerWaalsContact O-CB 3.25Å; N323-Y327 WeakPolarHBondContact O-CB 3.49Å; N323-Y327 PolarHBondContact O-N 3.48Å
324N84.8Confident87.5Confident135 Ų13559.3 Ų59.372%0.72230%0.304SS*.Hα-helixtrans-62.8-31.3-177.7-70.9-28000113.5N328N324-N328 WeakPolarHBondContact O-CB 3.31Å; N324-N328 PolarHBondContact O-N 3.42Å; N324-N328 PolarHBondContact O-ND2 2.96Å; N324-N328 VanDerWaalsContact O-ND2 3.07Å
325E87.6Confident87Confident158 Ų15858.2 Ų58.274%0.73830%0.302SS*.Hα-helixtrans-71.8-51.2-179.6-173175.2-175.200110.9N323 Y327 N328 E329N323-E325 VanDerWaalsContact C-N 3.27Å; N323-E325 PolarHBondContact O-N 2.98Å; N323-E325 WeakPolarHBondContact OD1-CA 3.49Å; N323-E325 WeakPolarHBondContact OD1-CB 3.32Å; N323-E325 PolarHBondContact OD1-N 2.85Å; E325-Y327 VanDerWaalsContact C-N 3.28Å; E325-Y327 PolarHBondContact O-N 2.98Å; E325-N328 PolarHBondContact O-N 3.28Å; E325-N328 VanDerWaalsContact O-N 3.16Å; E325-E329 PolarHBondContact O-N 2.98Å
326E88.8Confident86.2Confident47 Ų4759.7 Ų59.722%0.2231%0.313CS..Hα-helixtrans-61.6-36.6174.8-67.6178.5119.300111.7P291 S293 L322 N323 E329 L330P291-E326 HydrophobicContact CB-CB 4.28Å; P291-E326 HydrophobicContact CG-CB 4.36Å; P291-E326 VanDerWaalsContact CG-O 3.24Å; P291-E326 WeakPolarHBondContact CG-O 3.46Å; S293-E326 WeakPolarHBondContact CB-OE1 3.41Å; S293-E326 PolarHBondContact OG-OE1 3.23Å; L322-E326 HydrophobicContact CB-CB 4.36Å; L322-E326 HydrophobicContact CD2-CB 3.95Å; N323-E326 PolarHBondContact N-OE2 3.41Å; N323-E326 PolarHBondContact ND2-OE2 3.43Å; N323-E326 VanDerWaalsContact ND2-OE2 3.13Å; N323-E326 PolarHBondContact OD1-N 2.99Å; E326-E329 WeakPolarHBondContact O-CB 3.38Å; E326-E329 PolarHBondContact O-N 2.96Å; E326-L330 WeakPolarHBondContact O-CB 3.41Å; E326-L330 PolarHBondContact O-N 2.94Å
327Y84.3Confident85.7Confident30 Ų3060 Ų6012%0.11832%0.315CS..Hα-helixtrans-68-36.7176.7-171.9-101000112.1L221 K223 L322 N323 E325 L330 I331L221-Y327 HydrophobicContact CD2-CE2 4.07Å; K223-Y327 WeakPolarHBondContact CE-OH 3.42Å; L322-Y327 HydrophobicContact CD1-CD2 4.47Å; N323-Y327 VanDerWaalsContact O-CB 3.25Å; N323-Y327 WeakPolarHBondContact O-CB 3.49Å; N323-Y327 PolarHBondContact O-N 3.48Å; E325-Y327 VanDerWaalsContact C-N 3.28Å; E325-Y327 PolarHBondContact O-N 2.98Å; Y327-L330 WeakPolarHBondContact O-CB 3.47Å; Y327-L330 PolarHBondContact O-N 3.09Å; Y327-I331 HydrophobicContact CD1-CD1 3.76Å; Y327-I331 HydrophobicContact CD1-CG1 4.49Å; Y327-I331 HydrophobicContact CE1-CD1 3.45Å; Y327-I331 VanDerWaalsContact CE1-CD1 3.45Å; Y327-I331 HydrophobicContact CE1-CG1 4.21Å; Y327-I331 WeakPolarHBondContact O-CG1 3.38Å; Y327-I331 PolarHBondContact O-N 3.08Å
328N82.4Confident85.2Confident88 Ų8858.5 Ų58.547%0.47131%0.307SS..Hα-helixtrans-69.7-39.3172.7-72.7-27.7000111.5N324 E325 L330 I331 D332N324-N328 WeakPolarHBondContact O-CB 3.31Å; N324-N328 PolarHBondContact O-N 3.42Å; N324-N328 PolarHBondContact O-ND2 2.96Å; N324-N328 VanDerWaalsContact O-ND2 3.07Å; E325-N328 PolarHBondContact O-N 3.28Å; E325-N328 VanDerWaalsContact O-N 3.16Å; N328-L330 VanDerWaalsContact C-N 3.28Å; N328-L330 PolarHBondContact O-N 2.96Å; N328-I331 PolarHBondContact O-N 3.33Å; N328-I331 VanDerWaalsContact O-N 3.15Å; N328-D332 WeakPolarHBondContact O-CB 3.49Å; N328-D332 PolarHBondContact O-N 3.36Å
329E85.6Confident84.6Confident95 Ų9561 Ų6144%0.44432%0.32SS..Hα-helixtrans-57.4-43172-174.2-176.1-170.600111P291 E325 E326 G333P291-E329 HydrophobicContact CG-CB 4.43Å; E325-E329 PolarHBondContact O-N 2.98Å; E326-E329 WeakPolarHBondContact O-CB 3.38Å; E326-E329 PolarHBondContact O-N 2.96Å; E329-G333 PolarHBondContact O-N 3.31Å
330L86.3Confident84Confident0 Ų066 Ų660%035%0.347CS..Hα-helixtrans-61.4-45.1174179.766.2000112L221 F289 L290 P291 L319 L322 E326 Y327 N328 G333 I334L221-L330 HydrophobicContact CD2-CD2 4.15Å; L221-L330 HydrophobicContact CD2-CG 4.33Å; F289-L330 HydrophobicContact CD2-CD1 4.13Å; F289-L330 HydrophobicContact CE2-CD1 3.61Å; F289-L330 HydrophobicContact CZ-CD1 4.24Å; L290-L330 HydrophobicContact CD2-CD1 4Å; P291-L330 HydrophobicContact CG-CB 3.95Å; L319-L330 HydrophobicContact CD1-CD2 3.62Å; L322-L330 HydrophobicContact CD1-CD2 4.13Å; E326-L330 WeakPolarHBondContact O-CB 3.41Å; E326-L330 PolarHBondContact O-N 2.94Å; Y327-L330 WeakPolarHBondContact O-CB 3.47Å; Y327-L330 PolarHBondContact O-N 3.09Å; N328-L330 VanDerWaalsContact C-N 3.28Å; N328-L330 PolarHBondContact O-N 2.96Å; L330-G333 PolarHBondContact O-N 2.94Å; L330-I334 HydrophobicContact CD1-CD1 4.16Å; L330-I334 HydrophobicContact CD1-CG1 4.47Å; L330-I334 HydrophobicContact CG-CD1 4.01Å; L330-I334 VanDerWaalsContact O-CG1 3.23Å; L330-I334 WeakPolarHBondContact O-CG1 3.45Å; L330-I334 PolarHBondContact O-N 3.08Å
331I83.2Confident83.4Confident45 Ų4564.1 Ų64.123%0.23134%0.335CS..Hα-helixtrans-61.4-51.3177.9-71.4167000110.8L221 Y327 N328 G333 I334 I335L221-I331 HydrophobicContact CD1-CG1 4.1Å; L221-I331 HydrophobicContact CD2-CG1 3.68Å; Y327-I331 HydrophobicContact CD1-CD1 3.76Å; Y327-I331 HydrophobicContact CD1-CG1 4.49Å; Y327-I331 HydrophobicContact CE1-CD1 3.45Å; Y327-I331 VanDerWaalsContact CE1-CD1 3.45Å; Y327-I331 HydrophobicContact CE1-CG1 4.21Å; Y327-I331 WeakPolarHBondContact O-CG1 3.38Å; Y327-I331 PolarHBondContact O-N 3.08Å; N328-I331 PolarHBondContact O-N 3.33Å; N328-I331 VanDerWaalsContact O-N 3.15Å; I331-G333 VanDerWaalsContact C-N 3.27Å; I331-G333 PolarHBondContact O-N 3.3Å; I331-I334 PolarHBondContact O-N 3.05Å; I331-I335 HydrophobicContact CG2-CD1 3.72Å; I331-I335 HydrophobicContact CG2-CG1 4.47Å; I331-I335 WeakPolarHBondContact O-CG1 3.36Å; I331-I335 PolarHBondContact O-N 3.47Å
332D82Confident82.9Confident111 Ų11165.8 Ų65.859%0.59434%0.342SS*.Hα-helixtrans-61.7-40.4-179.8-74.1-19.5000110.7N328 I335 S336N328-D332 WeakPolarHBondContact O-CB 3.49Å; N328-D332 PolarHBondContact O-N 3.36Å; D332-I335 PolarHBondContact O-N 2.97Å; D332-S336 VanDerWaalsContact O-CB 3.31Å; D332-S336 WeakPolarHBondContact O-CB 3.4Å; D332-S336 PolarHBondContact O-N 2.89Å
333G82.5Confident82.6Confident5 Ų566 Ų665%0.05235%0.345CS..Hα-helixtrans-57.8-47.6172.700000113E329 L330 I331 S336 C337E329-G333 PolarHBondContact O-N 3.31Å; L330-G333 PolarHBondContact O-N 2.94Å; I331-G333 VanDerWaalsContact C-N 3.27Å; I331-G333 PolarHBondContact O-N 3.3Å; G333-S336 WeakPolarHBondContact O-CB 3.3Å; G333-S336 PolarHBondContact O-N 3.04Å; G333-S336 PolarHBondContact O-OG 3.4Å; G333-C337 PolarHBondContact O-N 3.45Å; G333-C337 PolarHBondContact O-SG 3.38Å
334I84.3Confident82.3Confident2 Ų266.7 Ų66.71%0.0135%0.348CS..Hα-helixtrans-62.3-47.1177-71.1165.4000111H214 G217 S218 L221 F289 L330 I331 S336 C337H214-I334 PolarHBondContact ND1-O 2.92Å; G217-I334 VanDerWaalsContact O-CD1 3.23Å; G217-I334 WeakPolarHBondContact O-CD1 3.32Å; S218-I334 VanDerWaalsContact OG-CG2 3.25Å; S218-I334 WeakPolarHBondContact OG-CG2 3.12Å; L221-I334 HydrophobicContact CD1-CD1 3.58Å; L221-I334 HydrophobicContact CD1-CG2 4.47Å; L221-I334 HydrophobicContact CD2-CD1 3.76Å; L221-I334 HydrophobicContact CG-CD1 3.48Å; L221-I334 VanDerWaalsContact CG-CD1 3.48Å; F289-I334 HydrophobicContact CD2-CB 4.36Å; F289-I334 HydrophobicContact CD2-CD1 4.39Å; F289-I334 HydrophobicContact CD2-CG1 3.37Å; F289-I334 HydrophobicContact CE2-CD1 3.89Å; F289-I334 HydrophobicContact CE2-CG1 3.29Å; L330-I334 HydrophobicContact CD1-CD1 4.16Å; L330-I334 HydrophobicContact CD1-CG1 4.47Å; L330-I334 HydrophobicContact CG-CD1 4.01Å; L330-I334 VanDerWaalsContact O-CG1 3.23Å; L330-I334 WeakPolarHBondContact O-CG1 3.45Å; L330-I334 PolarHBondContact O-N 3.08Å; I331-I334 PolarHBondContact O-N 3.05Å; I334-S336 PolarHBondContact O-N 2.93Å; I334-C337 PolarHBondContact O-N 3.37Å; I334-C337 VanDerWaalsContact O-N 3.15Å
335I81.2Confident82.4Confident92 Ų9263.1 Ų63.147%0.47233%0.327SS..Hα-helixtrans-62.6-36.5178.5-66.6168.5000110.1I331 D332 C337 D338I331-I335 HydrophobicContact CG2-CD1 3.72Å; I331-I335 HydrophobicContact CG2-CG1 4.47Å; I331-I335 WeakPolarHBondContact O-CG1 3.36Å; I331-I335 PolarHBondContact O-N 3.47Å; D332-I335 PolarHBondContact O-N 2.97Å; I335-C337 PolarHBondContact O-N 3.38Å; I335-D338 WeakPolarHBondContact O-CB 3.29Å; I335-D338 PolarHBondContact O-N 3.14Å; I335-D338 VanDerWaalsContact O-N 3.12Å
336S78.7Confident82.5Confident32 Ų3261.6 Ų61.622%0.22432%0.315CS..Hα-helixtrans-65-21.3178.886.10000113.6D332 G333 I334 R341D332-S336 VanDerWaalsContact O-CB 3.31Å; D332-S336 WeakPolarHBondContact O-CB 3.4Å; D332-S336 PolarHBondContact O-N 2.89Å; G333-S336 WeakPolarHBondContact O-CB 3.3Å; G333-S336 PolarHBondContact O-N 3.04Å; G333-S336 PolarHBondContact O-OG 3.4Å; I334-S336 PolarHBondContact O-N 2.93Å; S336-R341 VanDerWaalsContact CA-NH1 3.34Å; S336-R341 PolarHBondContact O-NH1 3.41Å; S336-R341 PolarHBondContact O-NH2 3.36Å
337C80.7Confident82.6Confident10 Ų1059.4 Ų59.47%0.06831%0.305CS..THydrogen-bonded Turntrans-90-6.8177.6-65.90000113.5N211 I213 H214 L285 G333 I334 I335 I339N211-C337 PolarHBondContact OD1-O 2.88Å; I213-C337 HydrophobicContact CG2-CB 4.47Å; H214-C337 HydrophobicContact CB-CB 4.25Å; L285-C337 PolarHBondContact O-SG 2.88Å; G333-C337 PolarHBondContact O-N 3.45Å; G333-C337 PolarHBondContact O-SG 3.38Å; I334-C337 PolarHBondContact O-N 3.37Å; I334-C337 VanDerWaalsContact O-N 3.15Å; I335-C337 PolarHBondContact O-N 3.38Å; C337-I339 PolarHBondContact O-N 3.21Å
338D82.1Confident82.8Confident35 Ų3564.6 Ų64.619%0.18732%0.324CS..  trans-69.5116.4179.6-177.111.3000110.7N211 H214 I335 N340 R341N211-D338 PolarHBondContact ND2-OD1 3.48Å; N211-D338 WeakPolarHBondContact OD1-CA 3.27Å; H214-D338 HydrophobicContact CB-CB 4.46Å; I335-D338 WeakPolarHBondContact O-CB 3.29Å; I335-D338 PolarHBondContact O-N 3.14Å; I335-D338 VanDerWaalsContact O-N 3.12Å; D338-N340 PolarHBondContact O-N 3.06Å; D338-N340 PolarHBondContact OD1-N 2.86Å; D338-R341 HydrophobicContact CB-CB 4.19Å; D338-R341 WeakPolarHBondContact O-CB 3.19Å; D338-R341 WeakPolarHBondContact O-CG 3.19Å; D338-R341 PolarHBondContact O-N 2.8Å; D338-R341 VanDerWaalsContact O-N 3.17Å
339I79.4Confident83.1Confident101 Ų10163.2 Ų63.252%0.51832%0.315SS..THydrogen-bonded Turntrans-61.7-29.5175.9-63.1176.9000111.5A208 R209 N211 C337 R341A208-I339 VanDerWaalsContact O-CD1 3.28Å; A208-I339 WeakPolarHBondContact O-CD1 3.38Å; R209-I339 WeakPolarHBondContact O-CD1 3.39Å; N211-I339 HydrophobicContact CB-CB 4.38Å; N211-I339 HydrophobicContact CB-CD1 4.09Å; N211-I339 HydrophobicContact CB-CG1 4.34Å; N211-I339 WeakPolarHBondContact OD1-CG1 3.46Å; N211-I339 PolarHBondContact OD1-N 3.35Å; C337-I339 PolarHBondContact O-N 3.21Å; I339-R341 VanDerWaalsContact C-N 3.34Å
340N77Confident83.4Confident116 Ų11658.9 Ų58.962%0.6230%0.295SS*.THydrogen-bonded Turntrans-927.5-179-54.1-69.8000113.3N211 D338N211-N340 PolarHBondContact ND2-ND2 3.06Å; D338-N340 PolarHBondContact O-N 3.06Å; D338-N340 PolarHBondContact OD1-N 2.86Å
341R75.5Confident83.6Confident56 Ų5659.1 Ų59.121%0.21130%0.296CS..PPolyproline II helixtrans-58.2152.6-18071.7-178.8172.2-166.2-24.8111.8S336 D338 I339 L353 E354S336-R341 VanDerWaalsContact CA-NH1 3.34Å; S336-R341 PolarHBondContact O-NH1 3.41Å; S336-R341 PolarHBondContact O-NH2 3.36Å; D338-R341 HydrophobicContact CB-CB 4.19Å; D338-R341 WeakPolarHBondContact O-CB 3.19Å; D338-R341 WeakPolarHBondContact O-CG 3.19Å; D338-R341 PolarHBondContact O-N 2.8Å; D338-R341 VanDerWaalsContact O-N 3.17Å; I339-R341 VanDerWaalsContact C-N 3.34Å; R341-L353 PolarHBondContact NE-O 3.18Å; R341-L353 PolarHBondContact NH2-O 2.84Å; R341-E354 VanDerWaalsContact NH2-CG 3.25Å
342T77.1Confident84Confident121 Ų12157 Ų5774%0.74229%0.286SS*.PPolyproline II helixtrans-63.6140.9168.152.10000110.1
343P81.7Confident84.1Confident28 Ų2853.5 Ų53.518%0.18227%0.266CS..PPolyproline II helixtrans-53.1143.5173.8-2736000111.8H345 Y346 I352 L353P343-H345 VanDerWaalsContact C-N 3.27Å; P343-H345 PolarHBondContact O-N 3.42Å; P343-Y346 HydrophobicContact CB-CE1 4.34Å; P343-Y346 HydrophobicContact CB-CE2 4.36Å; P343-Y346 HydrophobicContact CG-CE1 4.07Å; P343-I352 CarbonylContact C-O 3.46Å; P343-I352 WeakPolarHBondContact CA-O 3.15Å; P343-I352 WeakPolarHBondContact CB-O 3.46Å; P343-L353 HydrophobicContact CB-CD2 4.37Å; P343-L353 HydrophobicContact CG-CD2 4.14Å
344I83.4Confident84Confident94 Ų9454.3 Ų54.348%0.48227%0.269SS..SBendtrans-56.2-46.5177.8-57.9172.2000109.9I352 L353I344-I352 HydrophobicContact CD1-CG2 4.46Å; I344-I352 PolarHBondContact N-O 3.21Å; I344-L353 WeakPolarHBondContact CD1-O 3.44Å; I344-L353 WeakPolarHBondContact CG1-O 3.35Å
345H87.1Confident83.9Confident60 Ų6057.4 Ų57.428%0.27829%0.285SS..EExtended strand (participates in β ladder)trans-162.8174.9172.760.9-71.5000109.5P343 V347 I352P343-H345 VanDerWaalsContact C-N 3.27Å; P343-H345 PolarHBondContact O-N 3.42Å; H345-V347 VanDerWaalsContact CD2-CG2 3.49Å; H345-V347 WeakPolarHBondContact CD2-CG2 3.42Å; H345-I352 WeakPolarHBondContact O-CB 3.3Å; H345-I352 PolarHBondContact O-N 3Å
346Y90Very high83.9Confident125 Ų12555.4 Ų55.449%0.4928%0.275SS..EExtended strand (participates in β ladder)trans-112.6139.5176.4-63.2-92.1000110P343 Y350P343-Y346 HydrophobicContact CB-CE1 4.34Å; P343-Y346 HydrophobicContact CB-CE2 4.36Å; P343-Y346 HydrophobicContact CG-CE1 4.07Å; Y346-Y350 WeakPolarHBondContact CA-O 3.41Å
347V89.1Confident83.7Confident2 Ų255.4 Ų55.41%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-130.4105.6174.7179.20000107.1H345 E349 Y350 I352 F426 D428 Y433H345-V347 VanDerWaalsContact CD2-CG2 3.49Å; H345-V347 WeakPolarHBondContact CD2-CG2 3.42Å; V347-E349 PolarHBondContact O-N 3.12Å; V347-Y350 PolarHBondContact N-O 3.03Å; V347-Y350 WeakPolarHBondContact O-CB 3.09Å; V347-Y350 PolarHBondContact O-N 3.47Å; V347-I352 HydrophobicContact CG2-CD1 4.31Å; V347-I352 HydrophobicContact CG2-CG1 3.96Å; V347-F426 HydrophobicContact CG1-CE2 3.59Å; V347-F426 HydrophobicContact CG1-CZ 3.82Å; V347-D428 HydrophobicContact CG1-CB 4.37Å; V347-Y433 HydrophobicContact CG1-CD1 4.22Å; V347-Y433 HydrophobicContact CG1-CD2 4.11Å; V347-Y433 HydrophobicContact CG1-CE1 4.04Å; V347-Y433 HydrophobicContact CG1-CE2 3.93Å; V347-Y433 HydrophobicContact CG1-CG 4.24Å; V347-Y433 HydrophobicContact CG2-CE1 4.01Å
348R90.2Very high83.3Confident138 Ų13859.9 Ų59.952%0.52131%0.307SS..THydrogen-bonded Turntrans50.2-123.4-171.2-55.9-177174.8-162.4-0.7111Y350 F426 L427R348-Y350 VanDerWaalsContact C-N 3.27Å; R348-Y350 PolarHBondContact O-N 2.94Å; R348-F426 HydrophobicContact CG-CD2 4.49Å; R348-F426 HydrophobicContact CG-CE2 4.1Å; R348-F426 VanDerWaalsContact CZ-CD2 3.48Å; R348-F426 VanDerWaalsContact NE-CD2 3.26Å; R348-L427 PolarHBondContact NH2-O 3.25Å
349E88.9Confident82.4Confident59 Ų5960.5 Ų60.528%0.27632%0.322SS..THydrogen-bonded Turntrans-83.24.5179.273.5-97.2-137.800114.9V347 K369 N370 K424V347-E349 PolarHBondContact O-N 3.12Å; E349-K369 HydrophobicContact CG-CD 4.35Å; E349-K369 HydrophobicContact CG-CG 3.84Å; E349-N370 PolarHBondContact O-N 3Å; E349-K424 VanDerWaalsContact CD-NZ 3.32Å; E349-K424 IonicContact OE1-NZ 3.68Å; E349-K424 PolarHBondContact OE1-NZ 3.41Å; E349-K424 IonicContact OE2-NZ 3.79Å; E349-K424 PolarHBondContact OE2-NZ 2.92Å
350Y92Very high81.5Confident5 Ų559.2 Ų59.22%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-104.4131.5-177-62.5-82.6000111.9Y346 V347 R348 A367 K369 Y377 I379 K424 F426 V435Y346-Y350 WeakPolarHBondContact CA-O 3.41Å; V347-Y350 PolarHBondContact N-O 3.03Å; V347-Y350 WeakPolarHBondContact O-CB 3.09Å; V347-Y350 PolarHBondContact O-N 3.47Å; R348-Y350 VanDerWaalsContact C-N 3.27Å; R348-Y350 PolarHBondContact O-N 2.94Å; Y350-A367 HydrophobicContact CD1-CB 4.45Å; Y350-K369 HydrophobicContact CD1-CB 4.06Å; Y350-K369 HydrophobicContact CD1-CG 4.39Å; Y350-K369 HydrophobicContact CE1-CB 3.89Å; Y350-K369 HydrophobicContact CE1-CD 4.34Å; Y350-K369 HydrophobicContact CE1-CG 4.05Å; Y350-Y377 HydrophobicContact CD1-CD2 4.31Å; Y350-Y377 AromaticContact CE1-CD2 3.84Å; Y350-Y377 HydrophobicContact CE1-CD2 3.84Å; Y350-Y377 HydrophobicContact CE1-CE2 4.21Å; Y350-Y377 HydrophobicContact CE1-CG 4.11Å; Y350-I379 HydrophobicContact CD1-CD1 3.65Å; Y350-I379 HydrophobicContact CD2-CD1 4.04Å; Y350-I379 HydrophobicContact CE1-CD1 4.24Å; Y350-I379 HydrophobicContact CG-CD1 3.52Å; Y350-K424 VanDerWaalsContact CE2-CE 3.49Å; Y350-K424 WeakPolarHBondContact OH-CE 3.39Å; Y350-F426 HydrophobicContact CD2-CE1 4.32Å; Y350-F426 HydrophobicContact CD2-CZ 4.3Å; Y350-F426 HydrophobicContact CE2-CE1 4.05Å; Y350-F426 HydrophobicContact CE2-CZ 4.48Å; Y350-V435 HydrophobicContact CE1-CG1 4.06Å; Y350-V435 HydrophobicContact CE2-CG2 4.01Å
351S90.3Very high80.8Confident5 Ų556 Ų564%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-91.5115.5167.454.10000109.1L353 A367 S368S351-L353 PolarHBondContact O-N 3.45Å; S351-A367 CarbonylContact O-C 3.57Å; S351-A367 WeakPolarHBondContact O-CA 3.36Å; S351-A367 WeakPolarHBondContact O-CB 3.39Å; S351-S368 PolarHBondContact N-O 3.43Å; S351-S368 PolarHBondContact O-N 2.9Å; S351-S368 WeakPolarHBondContact OG-CB 3.08Å; S351-S368 PolarHBondContact OG-O 3.1Å
352I90.3Very high80.7Confident1 Ų154 Ų541%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-80.6116179.7-55.6-54.6000108.4P343 I344 H345 V347 F365 A367 I379P343-I352 CarbonylContact C-O 3.46Å; P343-I352 WeakPolarHBondContact CA-O 3.15Å; P343-I352 WeakPolarHBondContact CB-O 3.46Å; I344-I352 HydrophobicContact CD1-CG2 4.46Å; I344-I352 PolarHBondContact N-O 3.21Å; H345-I352 WeakPolarHBondContact O-CB 3.3Å; H345-I352 PolarHBondContact O-N 3Å; V347-I352 HydrophobicContact CG2-CD1 4.31Å; V347-I352 HydrophobicContact CG2-CG1 3.96Å; I352-F365 HydrophobicContact CG2-CB 3.71Å; I352-F365 HydrophobicContact CG2-CD1 3.59Å; I352-F365 HydrophobicContact CG2-CE1 4.33Å; I352-F365 HydrophobicContact CG2-CG 3.69Å; I352-A367 HydrophobicContact CD1-CB 3.89Å; I352-I379 HydrophobicContact CD1-CD1 4.12Å
353L84.1Confident81.1Confident36 Ų3653.4 Ų53.419%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-96.8-51.6-170.8-56.9179000111.7R341 P343 I344 S351 K366R341-L353 PolarHBondContact NE-O 3.18Å; R341-L353 PolarHBondContact NH2-O 2.84Å; P343-L353 HydrophobicContact CB-CD2 4.37Å; P343-L353 HydrophobicContact CG-CD2 4.14Å; I344-L353 WeakPolarHBondContact CD1-O 3.44Å; I344-L353 WeakPolarHBondContact CG1-O 3.35Å; S351-L353 PolarHBondContact O-N 3.45Å; L353-K366 WeakPolarHBondContact CB-O 3.3Å; L353-K366 HydrophobicContact CD1-CG 4.41Å; L353-K366 PolarHBondContact N-O 3.49Å
354E81.2Confident81.5Confident22 Ų2253.2 Ų53.210%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-148146.4-166.9-167.6-179.1171.700111.5R284 R341 F365 K366R284-E354 IonicContact CZ-OE1 2.73Å; R284-E354 IonicContact NH1-OE1 2.87Å; R284-E354 PolarHBondContact NH1-OE1 3.23Å; R284-E354 VanDerWaalsContact NH2-CD 3.26Å; R284-E354 IonicContact NH2-OE1 3.75Å; R284-E354 PolarHBondContact NH2-OE1 3.13Å; R284-E354 IonicContact NH2-OE2 3.68Å; R284-E354 PolarHBondContact NH2-OE2 2.79Å; R341-E354 VanDerWaalsContact NH2-CG 3.25Å; E354-F365 CarbonylContact O-C 3.46Å; E354-F365 WeakPolarHBondContact O-CA 3.38Å; E354-F365 WeakPolarHBondContact O-CB 3.36Å; E354-F365 WeakPolarHBondContact O-CD1 2.95Å; E354-K366 HydrophobicContact CB-CB 3.99Å; E354-K366 PolarHBondContact N-O 3.27Å; E354-K366 PolarHBondContact O-N 3.37Å
355L82.2Confident81.8Confident68 Ų6849.7 Ų49.736%0.35627%0.27SS..EExtended strand (participates in β ladder)trans-79.3117.6165.2-178.667.6000109.9R284 G357 T358 K363 V364 F365R284-L355 PolarHBondContact NH1-O 2.77Å; L355-G357 WeakPolarHBondContact CD1-O 3.46Å; L355-T358 HydrophobicContact CD1-CG2 4.21Å; L355-T358 HydrophobicContact CD2-CG2 3.93Å; L355-T358 HydrophobicContact CG-CG2 4.48Å; L355-K363 HydrophobicContact CD1-CB 3.78Å; L355-K363 HydrophobicContact CD1-CD 4.22Å; L355-K363 HydrophobicContact CD1-CG 4.31Å; L355-V364 WeakPolarHBondContact CD1-O 3.42Å; L355-F365 HydrophobicContact CB-CD1 4.13Å; L355-F365 HydrophobicContact CB-CE1 4.06Å; L355-F365 HydrophobicContact CD1-CD1 4.01Å; L355-F365 HydrophobicContact CD1-CE1 3.67Å; L355-F365 HydrophobicContact CD1-CE2 4.44Å; L355-F365 HydrophobicContact CD1-CZ 3.91Å; L355-F365 HydrophobicContact CG-CE1 4.45Å
356L81.4Confident82Confident50 Ų5049.1 Ų49.126%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-86.8-33.6176.9-64.6174.8000112.2V364 K366 A378 F438L356-V364 HydrophobicContact CB-CG1 4.34Å; L356-V364 HydrophobicContact CD1-CG1 4.34Å; L356-V364 PolarHBondContact N-O 3.48Å; L356-K366 HydrophobicContact CD1-CB 4Å; L356-K366 HydrophobicContact CD2-CB 4.03Å; L356-K366 HydrophobicContact CG-CB 3.99Å; L356-A378 HydrophobicContact CD1-CB 4.42Å; L356-F438 HydrophobicContact CD1-CD2 3.97Å; L356-F438 HydrophobicContact CD1-CE2 3.79Å; L356-F438 HydrophobicContact CD2-CE2 4.07Å
357G75Confident82Confident31 Ų3143.2 Ų43.232%0.3224%0.243SC..EExtended strand (participates in β ladder)trans-175.7164179.500000113.3L355 V364L355-G357 WeakPolarHBondContact CD1-O 3.46Å; G357-V364 PolarHBondContact N-O 3.31Å; G357-V364 PolarHBondContact O-N 3.03Å
358T72.2Confident82.1Confident104 Ų10443.3 Ų43.364%0.63824%0.244SC*.EExtended strand (participates in β ladder)trans-123.9127.317558.40000109.5L355 K363L355-T358 HydrophobicContact CD1-CG2 4.21Å; L355-T358 HydrophobicContact CD2-CG2 3.93Å; L355-T358 HydrophobicContact CG-CG2 4.48Å; T358-K363 HydrophobicContact CG2-CD 4.38Å; T358-K363 HydrophobicContact CG2-CG 4.05Å
359G63.3Low82Confident49 Ų4939.8 Ų39.851%0.50523%0.232SC..EExtended strand (participates in β ladder)trans-127.7177.4174.600000111.6Y361 G362G359-Y361 PolarHBondContact O-N 2.85Å; G359-Y361 VanDerWaalsContact O-N 3.12Å; G359-G362 PolarHBondContact N-O 3.5Å; G359-G362 PolarHBondContact O-N 3.21Å; G359-G362 VanDerWaalsContact O-O 3.13Å
360A58.9Low81.7Confident73 Ų7342 Ų4260%0.60325%0.246SC*.THydrogen-bonded Turntrans-54.7-33.1-179.600000113.4
361Y62.4Low80.6Confident48 Ų4848.8 Ų48.819%0.18828%0.276CS..THydrogen-bonded Turntrans-89.4-1.3-178.3-56.5-75.6000113.9G359 V382 K512G359-Y361 PolarHBondContact O-N 2.85Å; G359-Y361 VanDerWaalsContact O-N 3.12Å; Y361-V382 WeakPolarHBondContact O-CA 3.42Å; Y361-V382 WeakPolarHBondContact O-CG1 3.43Å; Y361-V382 WeakPolarHBondContact O-CG2 3.46Å; Y361-K512 VanDerWaalsContact OH-CB 3.29Å; Y361-K512 WeakPolarHBondContact OH-CB 3.23Å; Y361-K512 WeakPolarHBondContact OH-CD 3.43Å; Y361-K512 WeakPolarHBondContact OH-CG 3.48Å
362G75.1Confident79.6Confident15 Ų1554.1 Ų54.116%0.15530%0.301CS..EExtended strand (participates in β ladder)trans131.8-158.6178.100000114.4G359 K381G359-G362 PolarHBondContact N-O 3.5Å; G359-G362 PolarHBondContact O-N 3.21Å; G359-G362 VanDerWaalsContact O-O 3.13Å; G362-K381 WeakPolarHBondContact CA-O 3.46Å
363K85.4Confident78.2Confident109 Ų10958.2 Ų58.247%0.47433%0.328SS..EExtended strand (participates in β ladder)trans-109.9133.3-168.8-61.1-168.1178.1-177.10110.6L355 T358 F365 K380 K381L355-K363 HydrophobicContact CD1-CB 3.78Å; L355-K363 HydrophobicContact CD1-CD 4.22Å; L355-K363 HydrophobicContact CD1-CG 4.31Å; T358-K363 HydrophobicContact CG2-CD 4.38Å; T358-K363 HydrophobicContact CG2-CG 4.05Å; K363-F365 HydrophobicContact CB-CD2 4.3Å; K363-F365 HydrophobicContact CB-CE2 3.47Å; K363-F365 VanDerWaalsContact CB-CE2 3.47Å; K363-F365 HydrophobicContact CB-CZ 3.74Å; K363-F365 HydrophobicContact CD-CZ 4.05Å; K363-K380 CarbonylContact O-C 3.38Å; K363-K380 WeakPolarHBondContact O-CA 3.37Å; K363-K381 PolarHBondContact N-O 3.15Å; K363-K381 PolarHBondContact O-N 2.89Å
364V89.3Confident77.3Confident23 Ų2364.7 Ų64.714%0.13935%0.351CS..EExtended strand (participates in β ladder)trans-102.7127.4176.4-175.90000108.8L355 L356 G357 A378 I379 K380L355-V364 WeakPolarHBondContact CD1-O 3.42Å; L356-V364 HydrophobicContact CB-CG1 4.34Å; L356-V364 HydrophobicContact CD1-CG1 4.34Å; L356-V364 PolarHBondContact N-O 3.48Å; G357-V364 PolarHBondContact N-O 3.31Å; G357-V364 PolarHBondContact O-N 3.03Å; V364-A378 HydrophobicContact CG1-CB 4.31Å; V364-I379 WeakPolarHBondContact CA-O 3.38Å; V364-K380 HydrophobicContact CG2-CB 4.15Å; V364-K380 HydrophobicContact CG2-CD 4.19Å; V364-K380 HydrophobicContact CG2-CG 3.9Å
365F90.4Very high77.4Confident21 Ų2166.9 Ų66.99%0.09236%0.364CS..EExtended strand (participates in β ladder)trans-118.3148.6-179.2-61.1-90.6000112.2I352 E354 L355 K363 A378 I379 K381I352-F365 HydrophobicContact CG2-CB 3.71Å; I352-F365 HydrophobicContact CG2-CD1 3.59Å; I352-F365 HydrophobicContact CG2-CE1 4.33Å; I352-F365 HydrophobicContact CG2-CG 3.69Å; E354-F365 CarbonylContact O-C 3.46Å; E354-F365 WeakPolarHBondContact O-CA 3.38Å; E354-F365 WeakPolarHBondContact O-CB 3.36Å; E354-F365 WeakPolarHBondContact O-CD1 2.95Å; L355-F365 HydrophobicContact CB-CD1 4.13Å; L355-F365 HydrophobicContact CB-CE1 4.06Å; L355-F365 HydrophobicContact CD1-CD1 4.01Å; L355-F365 HydrophobicContact CD1-CE1 3.67Å; L355-F365 HydrophobicContact CD1-CE2 4.44Å; L355-F365 HydrophobicContact CD1-CZ 3.91Å; L355-F365 HydrophobicContact CG-CE1 4.45Å; K363-F365 HydrophobicContact CB-CD2 4.3Å; K363-F365 HydrophobicContact CB-CE2 3.47Å; K363-F365 VanDerWaalsContact CB-CE2 3.47Å; K363-F365 HydrophobicContact CB-CZ 3.74Å; K363-F365 HydrophobicContact CD-CZ 4.05Å; F365-A378 CarbonylContact O-C 3.51Å; F365-A378 WeakPolarHBondContact O-CA 3.36Å; F365-I379 PolarHBondContact N-O 3.13Å; F365-I379 PolarHBondContact O-N 2.96Å; F365-K381 HydrophobicContact CD2-CB 4.31Å; F365-K381 HydrophobicContact CE2-CB 3.97Å; F365-K381 HydrophobicContact CE2-CD 4.26Å
366K89.9Confident77.7Confident48 Ų4865.6 Ų65.621%0.20936%0.357CS..EExtended strand (participates in β ladder)trans-77.1134.6160.5-171.5178.7179.7177.70108.3L353 E354 L356 Y377 F438L353-K366 WeakPolarHBondContact CB-O 3.3Å; L353-K366 HydrophobicContact CD1-CG 4.41Å; L353-K366 PolarHBondContact N-O 3.49Å; E354-K366 HydrophobicContact CB-CB 3.99Å; E354-K366 PolarHBondContact N-O 3.27Å; E354-K366 PolarHBondContact O-N 3.37Å; L356-K366 HydrophobicContact CD1-CB 4Å; L356-K366 HydrophobicContact CD2-CB 4.03Å; L356-K366 HydrophobicContact CG-CB 3.99Å; K366-Y377 CarbonylContact C-O 3.47Å; K366-Y377 WeakPolarHBondContact CA-O 3.43Å; K366-F438 HydrophobicContact CB-CE2 4.32Å; K366-F438 HydrophobicContact CD-CE2 3.89Å; K366-F438 HydrophobicContact CD-CZ 3.87Å; K366-F438 HydrophobicContact CG-CD2 4.07Å; K366-F438 HydrophobicContact CG-CE2 3.85Å; K366-F438 HydrophobicContact CG-CZ 4.29Å
367A91.5Very high78.2Confident0 Ų064.5 Ų64.50%035%0.349CS..EExtended strand (participates in β ladder)trans-139.9149.6178.700000111.9Y350 S351 I352 N376 Y377 I379Y350-A367 HydrophobicContact CD1-CB 4.45Å; S351-A367 CarbonylContact O-C 3.57Å; S351-A367 WeakPolarHBondContact O-CA 3.36Å; S351-A367 WeakPolarHBondContact O-CB 3.39Å; I352-A367 HydrophobicContact CD1-CB 3.89Å; A367-N376 CarbonylContact O-C 3.53Å; A367-N376 WeakPolarHBondContact O-CA 3.32Å; A367-Y377 PolarHBondContact N-O 2.91Å; A367-Y377 PolarHBondContact O-N 3.18Å; A367-I379 HydrophobicContact CB-CD1 3.43Å; A367-I379 VanDerWaalsContact CB-CD1 3.43Å; A367-I379 HydrophobicContact CB-CG1 3.83Å
368S89.6Confident79Confident4 Ų463.2 Ų63.23%0.02834%0.336CS..EExtended strand (participates in β ladder)trans-111.7135.9170.1163.10000110.1S351 M372S351-S368 PolarHBondContact N-O 3.43Å; S351-S368 PolarHBondContact O-N 2.9Å; S351-S368 WeakPolarHBondContact OG-CB 3.08Å; S351-S368 PolarHBondContact OG-O 3.1Å; S368-M372 PolarHBondContact OG-N 3.47Å; S368-M372 PolarHBondContact OG-O 3.34Å
369K88.8Confident80Confident65 Ų6558.3 Ų58.328%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-84.5133.8175.6-168.9-176.7-177.2-169.30110.3E349 Y350 K371 M372 N375 Y377E349-K369 HydrophobicContact CG-CD 4.35Å; E349-K369 HydrophobicContact CG-CG 3.84Å; Y350-K369 HydrophobicContact CD1-CB 4.06Å; Y350-K369 HydrophobicContact CD1-CG 4.39Å; Y350-K369 HydrophobicContact CE1-CB 3.89Å; Y350-K369 HydrophobicContact CE1-CD 4.34Å; Y350-K369 HydrophobicContact CE1-CG 4.05Å; K369-K371 PolarHBondContact O-N 3.45Å; K369-K371 VanDerWaalsContact O-N 3.09Å; K369-M372 WeakPolarHBondContact O-CB 3.1Å; K369-M372 PolarHBondContact O-N 3Å; K369-M372 VanDerWaalsContact O-N 3.08Å; K369-N375 PolarHBondContact N-O 2.98Å; K369-Y377 HydrophobicContact CB-CD2 4.06Å; K369-Y377 HydrophobicContact CB-CE2 3.49Å; K369-Y377 VanDerWaalsContact CB-CE2 3.49Å; K369-Y377 HydrophobicContact CD-CE2 4.34Å
370N81.7Confident81.2Confident106 Ų10656.3 Ų56.357%0.56728%0.283SS*.THydrogen-bonded Turntrans53.130.1176.1-60.5-22.7000114.2E349 M372E349-N370 PolarHBondContact O-N 3Å; N370-M372 PolarHBondContact O-N 3.09Å
371K69Low82.6Confident147 Ų14755.3 Ų55.364%0.63927%0.265SS*.THydrogen-bonded Turntrans57.924.4-177.3-54.1179.7178.91790114.2K369 P373K369-K371 PolarHBondContact O-N 3.45Å; K369-K371 VanDerWaalsContact O-N 3.09Å; K371-P373 WeakPolarHBondContact O-CD 3.29Å
372M69.1Low83.5Confident116 Ų11653.4 Ų53.457%0.57126%0.259SS*.  trans-82.6112.9175-67.3-65.1-166.300109.8S368 K369 N370 Y374 N375S368-M372 PolarHBondContact OG-N 3.47Å; S368-M372 PolarHBondContact OG-O 3.34Å; K369-M372 WeakPolarHBondContact O-CB 3.1Å; K369-M372 PolarHBondContact O-N 3Å; K369-M372 VanDerWaalsContact O-N 3.08Å; N370-M372 PolarHBondContact O-N 3.09Å; M372-Y374 PolarHBondContact O-N 3.45Å; M372-Y374 VanDerWaalsContact O-N 3.14Å; M372-N375 HydrophobicContact CB-CB 4.09Å; M372-N375 PolarHBondContact O-N 3.43Å
373P62Low83.4Confident87 Ų8753.8 Ų53.857%0.56526%0.259SS*.THydrogen-bonded Turntrans-63.2-27-169.222.1-32.3000114K371 N376K371-P373 WeakPolarHBondContact O-CD 3.29Å; P373-N376 PolarHBondContact O-ND2 3.05Å
374Y65.5Low82.5Confident173 Ų17348.7 Ų48.768%0.67824%0.237SC*.THydrogen-bonded Turntrans-92.3-10-177-55.9-68.3000114M372 N376M372-Y374 PolarHBondContact O-N 3.45Å; M372-Y374 VanDerWaalsContact O-N 3.14Å; Y374-N376 PolarHBondContact O-N 3.44Å
375N81.8Confident81.2Confident68 Ų6850.5 Ų50.536%0.36425%0.251SS..  trans-102.470.8-176.9-161.512.9000110.7K369 M372 Y377K369-N375 PolarHBondContact N-O 2.98Å; M372-N375 HydrophobicContact CB-CB 4.09Å; M372-N375 PolarHBondContact O-N 3.43Å; N375-Y377 HydrophobicContact CB-CE2 4.4Å; N375-Y377 PolarHBondContact ND2-OH 3.4Å; N375-Y377 VanDerWaalsContact O-CD2 3.3Å; N375-Y377 WeakPolarHBondContact O-CD2 3.37Å; N375-Y377 VanDerWaalsContact O-CE2 3.29Å; N375-Y377 WeakPolarHBondContact O-CE2 3.34Å; N375-Y377 WeakPolarHBondContact OD1-CE2 3.37Å; N375-Y377 VanDerWaalsContact OD1-CZ 3.29Å; N375-Y377 PolarHBondContact OD1-OH 3.44Å
376N88.8Confident79.6Confident41 Ų4155.9 Ų55.922%0.21928%0.276CS..EExtended strand (participates in β ladder)trans-85.3143.7-178.4-68.2-51.9000111.8A367 P373 Y374 F438A367-N376 CarbonylContact O-C 3.53Å; A367-N376 WeakPolarHBondContact O-CA 3.32Å; P373-N376 PolarHBondContact O-ND2 3.05Å; Y374-N376 PolarHBondContact O-N 3.44Å; N376-F438 HydrophobicContact CB-CB 4.08Å; N376-F438 HydrophobicContact CB-CD1 3.74Å; N376-F438 HydrophobicContact CB-CE1 4.45Å; N376-F438 HydrophobicContact CB-CG 3.96Å; N376-F438 WeakPolarHBondContact O-CB 3.48Å
377Y92.5Very high77.9Confident26 Ų2655.1 Ų55.110%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-131.1151.4178.6-62.8-86.2000109.8Y350 K366 A367 K369 N375 Y423 V435Y350-Y377 HydrophobicContact CD1-CD2 4.31Å; Y350-Y377 AromaticContact CE1-CD2 3.84Å; Y350-Y377 HydrophobicContact CE1-CD2 3.84Å; Y350-Y377 HydrophobicContact CE1-CE2 4.21Å; Y350-Y377 HydrophobicContact CE1-CG 4.11Å; K366-Y377 CarbonylContact C-O 3.47Å; K366-Y377 WeakPolarHBondContact CA-O 3.43Å; A367-Y377 PolarHBondContact N-O 2.91Å; A367-Y377 PolarHBondContact O-N 3.18Å; K369-Y377 HydrophobicContact CB-CD2 4.06Å; K369-Y377 HydrophobicContact CB-CE2 3.49Å; K369-Y377 VanDerWaalsContact CB-CE2 3.49Å; K369-Y377 HydrophobicContact CD-CE2 4.34Å; N375-Y377 HydrophobicContact CB-CE2 4.4Å; N375-Y377 PolarHBondContact ND2-OH 3.4Å; N375-Y377 VanDerWaalsContact O-CD2 3.3Å; N375-Y377 WeakPolarHBondContact O-CD2 3.37Å; N375-Y377 VanDerWaalsContact O-CE2 3.29Å; N375-Y377 WeakPolarHBondContact O-CE2 3.34Å; N375-Y377 WeakPolarHBondContact OD1-CE2 3.37Å; N375-Y377 VanDerWaalsContact OD1-CZ 3.29Å; N375-Y377 PolarHBondContact OD1-OH 3.44Å; Y377-Y423 AromaticContact CD1-CD2 3.61Å; Y377-Y423 HydrophobicContact CD1-CD2 3.61Å; Y377-Y423 AromaticContact CD1-CE2 3.6Å; Y377-Y423 HydrophobicContact CD1-CE2 3.6Å; Y377-Y423 AromaticContact CE1-CD2 3.72Å; Y377-Y423 HydrophobicContact CE1-CD2 3.72Å; Y377-Y423 AromaticContact CE1-CE2 3.62Å; Y377-Y423 HydrophobicContact CE1-CE2 3.62Å; Y377-Y423 HydrophobicContact CE1-CG 4.35Å; Y377-V435 HydrophobicContact CD1-CG1 3.83Å; Y377-V435 HydrophobicContact CG-CG1 4.1Å
378A92.8Very high76Confident5 Ų555.9 Ų55.94%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-91.9133.8161.800000108.4L356 V364 F365 M436L356-A378 HydrophobicContact CD1-CB 4.42Å; V364-A378 HydrophobicContact CG1-CB 4.31Å; F365-A378 CarbonylContact O-C 3.51Å; F365-A378 WeakPolarHBondContact O-CA 3.36Å; A378-M436 HydrophobicContact CB-CE 3.77Å; A378-M436 HydrophobicContact CB-CG 4.13Å; A378-M436 PolarHBondContact N-O 3.21Å; A378-M436 VanDerWaalsContact O-CG 3.32Å; A378-M436 WeakPolarHBondContact O-CG 3.37Å; A378-M436 PolarHBondContact O-N 3.45Å
379I92.3Very high74Confident0 Ų064.1 Ų64.10%031%0.313CS..EExtended strand (participates in β ladder)trans-126.5114.3177.6-56.4-173.9000109.4Y350 I352 V364 F365 A367 Y433 I434 V435Y350-I379 HydrophobicContact CD1-CD1 3.65Å; Y350-I379 HydrophobicContact CD2-CD1 4.04Å; Y350-I379 HydrophobicContact CE1-CD1 4.24Å; Y350-I379 HydrophobicContact CG-CD1 3.52Å; I352-I379 HydrophobicContact CD1-CD1 4.12Å; V364-I379 WeakPolarHBondContact CA-O 3.38Å; F365-I379 PolarHBondContact N-O 3.13Å; F365-I379 PolarHBondContact O-N 2.96Å; A367-I379 HydrophobicContact CB-CD1 3.43Å; A367-I379 VanDerWaalsContact CB-CD1 3.43Å; A367-I379 HydrophobicContact CB-CG1 3.83Å; I379-Y433 HydrophobicContact CG2-CD1 3.72Å; I379-Y433 HydrophobicContact CG2-CG 4.38Å; I379-I434 CarbonylContact C-O 3.59Å; I379-I434 VanDerWaalsContact CA-O 3.3Å; I379-I434 WeakPolarHBondContact CA-O 3.41Å; I379-V435 HydrophobicContact CD1-CG2 4.23Å; I379-V435 HydrophobicContact CG1-CG1 4.34Å; I379-V435 HydrophobicContact CG1-CG2 4.22Å
380K88.9Confident72.2Confident8 Ų872.9 Ų72.94%0.03534%0.344CS..EExtended strand (participates in β ladder)trans-87.5117.3173.6-168.4168.7-166.6165.20109.6K363 V364 V382 Y433 I434 D505 L508K363-K380 CarbonylContact O-C 3.38Å; K363-K380 WeakPolarHBondContact O-CA 3.37Å; V364-K380 HydrophobicContact CG2-CB 4.15Å; V364-K380 HydrophobicContact CG2-CD 4.19Å; V364-K380 HydrophobicContact CG2-CG 3.9Å; K380-V382 HydrophobicContact CG-CG2 4.18Å; K380-Y433 CarbonylContact O-C 3.49Å; K380-Y433 WeakPolarHBondContact O-CA 3.36Å; K380-I434 HydrophobicContact CB-CB 4.24Å; K380-I434 PolarHBondContact N-O 3.21Å; K380-I434 PolarHBondContact O-N 3.15Å; K380-D505 VanDerWaalsContact NZ-CG 3.26Å; K380-D505 IonicContact NZ-OD1 3.77Å; K380-D505 PolarHBondContact NZ-OD1 3.43Å; K380-D505 IonicContact NZ-OD2 2.68Å; K380-D505 PolarHBondContact NZ-OD2 2.84Å; K380-L508 HydrophobicContact CD-CD1 4.1Å
381K88.4Confident70.9Confident51 Ų5171.3 Ų71.322%0.22233%0.331CS..EExtended strand (participates in β ladder)trans-95.5114.6174.3-178.6179.3-179.2171.80109.2G362 K363 F365 H431 Y433G362-K381 WeakPolarHBondContact CA-O 3.46Å; K363-K381 PolarHBondContact N-O 3.15Å; K363-K381 PolarHBondContact O-N 2.89Å; F365-K381 HydrophobicContact CD2-CB 4.31Å; F365-K381 HydrophobicContact CE2-CB 3.97Å; F365-K381 HydrophobicContact CE2-CD 4.26Å; K381-H431 WeakPolarHBondContact CE-CD2 3.32Å; K381-H431 WeakPolarHBondContact CE-ND1 3.49Å; K381-H431 VanDerWaalsContact CE-NE2 3.25Å; K381-H431 WeakPolarHBondContact CE-NE2 3.45Å; K381-H431 HydrophobicContact CG-CB 4.16Å; K381-H431 PolarHBondContact NZ-CD2 3.25Å; K381-H431 PolarHBondContact NZ-NE2 2.95Å; K381-Y433 HydrophobicContact CB-CD1 4.05Å; K381-Y433 HydrophobicContact CB-CE1 3.79Å; K381-Y433 HydrophobicContact CD-CE1 3.79Å; K381-Y433 VanDerWaalsContact CE-OH 3.3Å; K381-Y433 WeakPolarHBondContact CE-OH 3.31Å; K381-Y433 HydrophobicContact CG-CD1 4.23Å; K381-Y433 HydrophobicContact CG-CE1 3.6Å; K381-Y433 PolarHBondContact NZ-OH 2.91Å
382V80.9Confident70.4Confident9 Ų968 Ų686%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-108.4129.5-179.4179.80000109Y361 K380 T384 I387 H431 L432 I434Y361-V382 WeakPolarHBondContact O-CA 3.42Å; Y361-V382 WeakPolarHBondContact O-CG1 3.43Å; Y361-V382 WeakPolarHBondContact O-CG2 3.46Å; K380-V382 HydrophobicContact CG-CG2 4.18Å; V382-T384 PolarHBondContact O-N 3.35Å; V382-I387 HydrophobicContact CG1-CD1 3.57Å; V382-H431 WeakPolarHBondContact O-CA 3.34Å; V382-L432 HydrophobicContact CB-CB 4.27Å; V382-L432 PolarHBondContact N-O 3.21Å; V382-L432 PolarHBondContact O-N 3.41Å; V382-I434 HydrophobicContact CG2-CD1 4.46Å
383S72.7Confident70.2Confident22 Ų2267.1 Ų67.115%0.15433%0.328CS..EExtended strand (participates in β ladder)trans-73.3120.3175.6-170.20000109.9S385S383-S385 PolarHBondContact OG-OG 3.12Å
384T66.8Low70.2Confident3 Ų368.4 Ų68.42%0.01833%0.33CS..Hα-helixtrans-71.8-38.7174.364.60000110.3V382 Q386 I387 F388 R396 L427 D430 L432V382-T384 PolarHBondContact O-N 3.35Å; T384-Q386 VanDerWaalsContact C-N 3.29Å; T384-Q386 PolarHBondContact O-N 3.39Å; T384-I387 WeakPolarHBondContact O-CB 3.39Å; T384-I387 PolarHBondContact O-N 3.34Å; T384-F388 VanDerWaalsContact CB-CE2 3.44Å; T384-F388 HydrophobicContact CG2-CE2 4.05Å; T384-F388 WeakPolarHBondContact O-CB 3.47Å; T384-F388 WeakPolarHBondContact O-CD2 3.48Å; T384-F388 WeakPolarHBondContact O-CE2 3.49Å; T384-F388 VanDerWaalsContact O-CG 3.31Å; T384-F388 WeakPolarHBondContact O-CG 3.49Å; T384-F388 PolarHBondContact O-N 2.97Å; T384-R396 PolarHBondContact OG1-NH2 3.26Å; T384-L427 HydrophobicContact CG2-CD2 3.9Å; T384-D430 WeakPolarHBondContact CB-O 3.35Å; T384-D430 WeakPolarHBondContact CG2-O 3.18Å; T384-D430 PolarHBondContact N-O 3.38Å; T384-D430 VanDerWaalsContact N-O 3.08Å; T384-D430 WeakPolarHBondContact OG1-CA 3.38Å; T384-D430 PolarHBondContact OG1-O 2.85Å; T384-L432 HydrophobicContact CG2-CB 4.3Å
385S62.5Low70Confident61 Ų6164.3 Ų64.343%0.42732%0.317SS..Hα-helixtrans-57.6-36.8-17660.70000114.1S383 F388 F389S383-S385 PolarHBondContact OG-OG 3.12Å; S385-F388 CarbonylContact O-C 3.37Å; S385-F388 PolarHBondContact O-N 2.72Å; S385-F389 PolarHBondContact O-N 3.28Å
386Q56.7Low69Low133 Ų13364.8 Ų64.862%0.62131%0.314SS*.Hα-helixtrans-67.8-38.4176.2-72.3175.1-14.600112.1T384 F388T384-Q386 VanDerWaalsContact C-N 3.29Å; T384-Q386 PolarHBondContact O-N 3.39Å; Q386-F388 PolarHBondContact O-N 2.82Å
387I53.4Low67.9Low33 Ų3367.1 Ų67.117%0.16932%0.323CS..Hα-helixtrans-69.7-23.7175.4-56.7169.7000110.9V382 T384 R391 I403V382-I387 HydrophobicContact CG1-CD1 3.57Å; T384-I387 WeakPolarHBondContact O-CB 3.39Å; T384-I387 PolarHBondContact O-N 3.34Å; I387-R391 PolarHBondContact O-NH1 2.97Å; I387-I403 HydrophobicContact CD1-CD1 4.13Å
388F52Low66.6Low15 Ų1570.7 Ų70.77%0.06634%0.341CS..Hα-helixtrans-106.61.4-173.1-61.2-48.3000115.6T384 S385 Q386 R390 R391 R396 C399 I400T384-F388 VanDerWaalsContact CB-CE2 3.44Å; T384-F388 HydrophobicContact CG2-CE2 4.05Å; T384-F388 WeakPolarHBondContact O-CB 3.47Å; T384-F388 WeakPolarHBondContact O-CD2 3.48Å; T384-F388 WeakPolarHBondContact O-CE2 3.49Å; T384-F388 VanDerWaalsContact O-CG 3.31Å; T384-F388 WeakPolarHBondContact O-CG 3.49Å; T384-F388 PolarHBondContact O-N 2.97Å; S385-F388 CarbonylContact O-C 3.37Å; S385-F388 PolarHBondContact O-N 2.72Å; Q386-F388 PolarHBondContact O-N 2.82Å; F388-R390 PolarHBondContact O-N 3.37Å; F388-R390 VanDerWaalsContact O-N 3.07Å; F388-R391 PolarHBondContact O-N 3.08Å; F388-R396 HydrophobicContact CB-CB 4.26Å; F388-R396 HydrophobicContact CB-CG 4.17Å; F388-R396 HydrophobicContact CD1-CB 3.36Å; F388-R396 HydrophobicContact CD1-CG 3.48Å; F388-R396 VanDerWaalsContact CD1-CG 3.48Å; F388-R396 HydrophobicContact CD2-CB 4.23Å; F388-R396 VanDerWaalsContact CD2-CD 3.42Å; F388-R396 HydrophobicContact CD2-CG 3.4Å; F388-R396 VanDerWaalsContact CD2-CG 3.4Å; F388-R396 HydrophobicContact CE1-CB 3.84Å; F388-R396 HydrophobicContact CE1-CG 3.81Å; F388-R396 WeakPolarHBondContact CE1-O 3.43Å; F388-R396 HydrophobicContact CE2-CG 3.71Å; F388-R396 HydrophobicContact CG-CB 3.66Å; F388-R396 VanDerWaalsContact CG-CD 3.45Å; F388-R396 HydrophobicContact CG-CG 3.35Å; F388-R396 HydrophobicContact CZ-CB 4.47Å; F388-R396 HydrophobicContact CZ-CG 3.95Å; F388-R396 VanDerWaalsContact CZ-O 3.32Å; F388-R396 WeakPolarHBondContact CZ-O 3.48Å; F388-C399 HydrophobicContact CE1-CB 3.51Å; F388-C399 HydrophobicContact CZ-CB 3.92Å; F388-I400 HydrophobicContact CE2-CD1 3.81Å; F388-I400 HydrophobicContact CE2-CG1 3.64Å; F388-I400 HydrophobicContact CZ-CD1 4.1Å; F388-I400 HydrophobicContact CZ-CG1 3.5Å; F388-I400 VanDerWaalsContact CZ-CG1 3.5Å
389F47.8Very low65.2Low177 Ų17770.8 Ų70.878%0.77634%0.341SS*.THydrogen-bonded Turntrans-56.9120.1176.2-134.1-93.6000108.9S385 R391S385-F389 PolarHBondContact O-N 3.28Å; F389-R391 PolarHBondContact O-N 3.08Å
390R51.6Low63.9Low249 Ų24971.4 Ų71.494%0.9434%0.344SS*.THydrogen-bonded Turntrans72.911.1-178.6-143.6178-170.1168.72.4116.9F388F388-R390 PolarHBondContact O-N 3.37Å; F388-R390 VanDerWaalsContact O-N 3.07Å
391R54.1Low63Low74 Ų7474 Ų7428%0.27936%0.359SS..  trans-99.2145.5175.7-73.1-174175.3144.10.8112.3I387 F388 F389 E395I387-R391 PolarHBondContact O-NH1 2.97Å; F388-R391 PolarHBondContact O-N 3.08Å; F389-R391 PolarHBondContact O-N 3.08Å; R391-E395 WeakPolarHBondContact CA-OE2 3.23Å; R391-E395 HydrophobicContact CB-CB 3.82Å; R391-E395 WeakPolarHBondContact CB-OE2 3.49Å; R391-E395 HydrophobicContact CG-CB 4.2Å; R391-E395 WeakPolarHBondContact CG-OE2 3.36Å
392T58.8Low61.9Low78 Ų7877.7 Ų77.748%0.47937%0.371SS..  trans-65.3161.9173.162.20000111.1N394 E395 R396T392-N394 PolarHBondContact O-N 3.04Å; T392-E395 PolarHBondContact N-OE2 2.66Å; T392-E395 PolarHBondContact O-N 3Å; T392-E395 VanDerWaalsContact O-N 3.16Å; T392-E395 WeakPolarHBondContact OG1-CG 3.35Å; T392-E395 PolarHBondContact OG1-N 3.25Å; T392-R396 WeakPolarHBondContact O-CB 3.28Å; T392-R396 PolarHBondContact O-N 3.48Å
393S63.4Low61.2Low96 Ų9677.6 Ų77.667%0.67137%0.37SS*.Hα-helixtrans-54-37.2175.251.20000112.5R396 Q397S393-R396 WeakPolarHBondContact O-CB 3.25Å; S393-R396 PolarHBondContact O-N 3.46Å; S393-Q397 PolarHBondContact O-N 3.14Å
394N61.8Low61.1Low114 Ų11478.2 Ų78.261%0.6137%0.372SS*.Hα-helixtrans-69-45.6176.6-73.4-12.9000112.5T392 R396 Q397 Q398T392-N394 PolarHBondContact O-N 3.04Å; N394-R396 PolarHBondContact O-N 3.12Å; N394-Q397 PolarHBondContact O-N 2.58Å; N394-Q398 WeakPolarHBondContact O-CB 3.47Å; N394-Q398 VanDerWaalsContact O-CG 3.3Å; N394-Q398 WeakPolarHBondContact O-CG 3.39Å; N394-Q398 PolarHBondContact O-N 3.2Å
395E61.6Low61.1Low87 Ų8783 Ų8341%0.40740%0.397SS..Hα-helixtrans-62.8-34.1174.9-74.3167.5-174.700111.6R391 T392 C399R391-E395 WeakPolarHBondContact CA-OE2 3.23Å; R391-E395 HydrophobicContact CB-CB 3.82Å; R391-E395 WeakPolarHBondContact CB-OE2 3.49Å; R391-E395 HydrophobicContact CG-CB 4.2Å; R391-E395 WeakPolarHBondContact CG-OE2 3.36Å; T392-E395 PolarHBondContact N-OE2 2.66Å; T392-E395 PolarHBondContact O-N 3Å; T392-E395 VanDerWaalsContact O-N 3.16Å; T392-E395 WeakPolarHBondContact OG1-CG 3.35Å; T392-E395 PolarHBondContact OG1-N 3.25Å; E395-C399 PolarHBondContact O-N 3.09Å
396R60.7Low61.1Low78 Ų7882.6 Ų82.629%0.29439%0.388SS..Hα-helixtrans-61.4-53.2173.5167.8163.9-167.3-168.51.6111.7T384 F388 T392 S393 N394 Q398 C399 I400 D430T384-R396 PolarHBondContact OG1-NH2 3.26Å; F388-R396 HydrophobicContact CB-CB 4.26Å; F388-R396 HydrophobicContact CB-CG 4.17Å; F388-R396 HydrophobicContact CD1-CB 3.36Å; F388-R396 HydrophobicContact CD1-CG 3.48Å; F388-R396 VanDerWaalsContact CD1-CG 3.48Å; F388-R396 HydrophobicContact CD2-CB 4.23Å; F388-R396 VanDerWaalsContact CD2-CD 3.42Å; F388-R396 HydrophobicContact CD2-CG 3.4Å; F388-R396 VanDerWaalsContact CD2-CG 3.4Å; F388-R396 HydrophobicContact CE1-CB 3.84Å; F388-R396 HydrophobicContact CE1-CG 3.81Å; F388-R396 WeakPolarHBondContact CE1-O 3.43Å; F388-R396 HydrophobicContact CE2-CG 3.71Å; F388-R396 HydrophobicContact CG-CB 3.66Å; F388-R396 VanDerWaalsContact CG-CD 3.45Å; F388-R396 HydrophobicContact CG-CG 3.35Å; F388-R396 HydrophobicContact CZ-CB 4.47Å; F388-R396 HydrophobicContact CZ-CG 3.95Å; F388-R396 VanDerWaalsContact CZ-O 3.32Å; F388-R396 WeakPolarHBondContact CZ-O 3.48Å; T392-R396 WeakPolarHBondContact O-CB 3.28Å; T392-R396 PolarHBondContact O-N 3.48Å; S393-R396 WeakPolarHBondContact O-CB 3.25Å; S393-R396 PolarHBondContact O-N 3.46Å; N394-R396 PolarHBondContact O-N 3.12Å; R396-Q398 VanDerWaalsContact C-N 3.33Å; R396-Q398 PolarHBondContact O-N 3.18Å; R396-C399 PolarHBondContact O-N 3.35Å; R396-I400 HydrophobicContact CG-CD1 4.12Å; R396-I400 WeakPolarHBondContact O-CG1 3.4Å; R396-I400 PolarHBondContact O-N 3.35Å; R396-D430 IonicContact CZ-OD1 2.84Å; R396-D430 IonicContact NH1-OD1 3.82Å; R396-D430 IonicContact NH2-OD1 3.79Å; R396-D430 PolarHBondContact NH2-OD1 3.27Å
397Q65.7Low61.6Low91 Ų9176.4 Ų76.443%0.42536%0.36SS..Hα-helixtrans-60.6-43.5178.1-169.258.844.200111.4S393 N394 C399 I400 D401S393-Q397 PolarHBondContact O-N 3.14Å; N394-Q397 PolarHBondContact O-N 2.58Å; Q397-C399 PolarHBondContact O-N 2.89Å; Q397-I400 WeakPolarHBondContact O-CB 3.21Å; Q397-I400 PolarHBondContact O-N 2.99Å; Q397-D401 PolarHBondContact NE2-OD1 3.47Å; Q397-D401 WeakPolarHBondContact O-CB 3.37Å; Q397-D401 PolarHBondContact O-N 3.35Å
398Q65.2Low62.3Low101 Ų10177 Ų7747%0.47236%0.363SS..Hα-helixtrans-61.8-40.3178.5-74.3178.216.100113.3N394 R396 D401 R402N394-Q398 WeakPolarHBondContact O-CB 3.47Å; N394-Q398 VanDerWaalsContact O-CG 3.3Å; N394-Q398 WeakPolarHBondContact O-CG 3.39Å; N394-Q398 PolarHBondContact O-N 3.2Å; R396-Q398 VanDerWaalsContact C-N 3.33Å; R396-Q398 PolarHBondContact O-N 3.18Å; Q398-D401 PolarHBondContact O-N 2.85Å; Q398-R402 WeakPolarHBondContact O-CB 3.26Å; Q398-R402 VanDerWaalsContact O-CG 3.23Å; Q398-R402 WeakPolarHBondContact O-CG 3.42Å; Q398-R402 PolarHBondContact O-N 3.09Å
399C63.7Low62.9Low7 Ų779.4 Ų79.45%0.04738%0.379CS..Hα-helixtrans-70.1-38.5176.6-1650000111.5F388 E395 R396 Q397 R402 I403 H511F388-C399 HydrophobicContact CE1-CB 3.51Å; F388-C399 HydrophobicContact CZ-CB 3.92Å; E395-C399 PolarHBondContact O-N 3.09Å; R396-C399 PolarHBondContact O-N 3.35Å; Q397-C399 PolarHBondContact O-N 2.89Å; C399-R402 PolarHBondContact O-N 3.36Å; C399-I403 VanDerWaalsContact O-CG1 3.3Å; C399-I403 WeakPolarHBondContact O-CG1 3.48Å; C399-I403 PolarHBondContact O-N 3.08Å; C399-H511 VanDerWaalsContact SG-CE1 3.58Å
400I66.1Low63.8Low12 Ų1271.3 Ų71.36%0.06234%0.344CS..Hα-helixtrans-57.8-51.1172.6-77.8175.7000109.7F388 R396 Q397 R402 I403 L404 L427F388-I400 HydrophobicContact CE2-CD1 3.81Å; F388-I400 HydrophobicContact CE2-CG1 3.64Å; F388-I400 HydrophobicContact CZ-CD1 4.1Å; F388-I400 HydrophobicContact CZ-CG1 3.5Å; F388-I400 VanDerWaalsContact CZ-CG1 3.5Å; R396-I400 HydrophobicContact CG-CD1 4.12Å; R396-I400 WeakPolarHBondContact O-CG1 3.4Å; R396-I400 PolarHBondContact O-N 3.35Å; Q397-I400 WeakPolarHBondContact O-CB 3.21Å; Q397-I400 PolarHBondContact O-N 2.99Å; I400-R402 VanDerWaalsContact C-N 3.26Å; I400-R402 PolarHBondContact O-N 3.18Å; I400-I403 PolarHBondContact O-N 2.74Å; I400-I403 VanDerWaalsContact O-N 3.15Å; I400-L404 HydrophobicContact CG2-CD1 3.7Å; I400-L404 HydrophobicContact CG2-CG 4.18Å; I400-L404 WeakPolarHBondContact O-CB 3.46Å; I400-L404 WeakPolarHBondContact O-CG 3.41Å; I400-L404 PolarHBondContact O-N 3.33Å; I400-L427 HydrophobicContact CD1-CD1 4.32Å; I400-L427 HydrophobicContact CD1-CD2 4.2Å; I400-L427 HydrophobicContact CG2-CD1 3.48Å; I400-L427 VanDerWaalsContact CG2-CD1 3.48Å; I400-L427 HydrophobicContact CG2-CG 4.49Å
401D68.9Low64.6Low64 Ų6464 Ų6434%0.34232%0.317SS..Hα-helixtrans-62-37.1-179-66.1-21000110.9Q397 Q398 L404 N405Q397-D401 PolarHBondContact NE2-OD1 3.47Å; Q397-D401 WeakPolarHBondContact O-CB 3.37Å; Q397-D401 PolarHBondContact O-N 3.35Å; Q398-D401 PolarHBondContact O-N 2.85Å; D401-L404 PolarHBondContact O-N 3.47Å; D401-N405 WeakPolarHBondContact O-CB 3.3Å; D401-N405 PolarHBondContact O-N 3.28Å; D401-N405 PolarHBondContact O-ND2 2.84Å
402R65.7Low65.1Low127 Ų12767.3 Ų67.348%0.47934%0.335SS..Hα-helixtrans-62.6-49.6172.4-75.7174.4-167.2174.66.3112.1Q398 C399 I400 L404 N405 E406Q398-R402 WeakPolarHBondContact O-CB 3.26Å; Q398-R402 VanDerWaalsContact O-CG 3.23Å; Q398-R402 WeakPolarHBondContact O-CG 3.42Å; Q398-R402 PolarHBondContact O-N 3.09Å; C399-R402 PolarHBondContact O-N 3.36Å; I400-R402 VanDerWaalsContact C-N 3.26Å; I400-R402 PolarHBondContact O-N 3.18Å; R402-L404 VanDerWaalsContact C-N 3.33Å; R402-L404 PolarHBondContact O-N 2.78Å; R402-N405 PolarHBondContact O-N 2.99Å; R402-E406 WeakPolarHBondContact O-CB 3.41Å; R402-E406 PolarHBondContact O-N 3.34Å
403I66.7Low65.6Low7 Ų767.5 Ų67.54%0.03633%0.33CS..Hα-helixtrans-62.4-44.1178-62.2161.3000110.1I387 C399 I400 E406 V407 L432 L508 H511I387-I403 HydrophobicContact CD1-CD1 4.13Å; C399-I403 VanDerWaalsContact O-CG1 3.3Å; C399-I403 WeakPolarHBondContact O-CG1 3.48Å; C399-I403 PolarHBondContact O-N 3.08Å; I400-I403 PolarHBondContact O-N 2.74Å; I400-I403 VanDerWaalsContact O-N 3.15Å; I403-E406 PolarHBondContact O-N 2.95Å; I403-V407 HydrophobicContact CG2-CG2 4.14Å; I403-V407 VanDerWaalsContact O-CG2 3.3Å; I403-V407 WeakPolarHBondContact O-CG2 3.4Å; I403-V407 PolarHBondContact O-N 2.87Å; I403-L432 HydrophobicContact CB-CD2 4.21Å; I403-L432 HydrophobicContact CD1-CD2 4.46Å; I403-L432 HydrophobicContact CG2-CD2 3.31Å; I403-L508 HydrophobicContact CG2-CD2 4.49Å; I403-H511 WeakPolarHBondContact CG1-NE2 3.12Å
404L69.3Low66.4Low35 Ų3563.1 Ų63.118%0.18330%0.3CS..Hα-helixtrans-62.8-44.9178.5-72.4177.7000111.3I400 D401 R402 N408 L427 L432I400-L404 HydrophobicContact CG2-CD1 3.7Å; I400-L404 HydrophobicContact CG2-CG 4.18Å; I400-L404 WeakPolarHBondContact O-CB 3.46Å; I400-L404 WeakPolarHBondContact O-CG 3.41Å; I400-L404 PolarHBondContact O-N 3.33Å; D401-L404 PolarHBondContact O-N 3.47Å; R402-L404 VanDerWaalsContact C-N 3.33Å; R402-L404 PolarHBondContact O-N 2.78Å; L404-N408 WeakPolarHBondContact O-CB 3.44Å; L404-N408 PolarHBondContact O-N 2.96Å; L404-N408 PolarHBondContact O-ND2 3.11Å; L404-L427 HydrophobicContact CD1-CD1 4.15Å; L404-L432 HydrophobicContact CD2-CD1 3.73Å
405N66.7Low67.5Low103 Ų10365.9 Ų65.955%0.55130%0.302SS*.Hα-helixtrans-62.3-45.9176.3-74.7-15.8000111.2D401 R402 N408 V409D401-N405 WeakPolarHBondContact O-CB 3.3Å; D401-N405 PolarHBondContact O-N 3.28Å; D401-N405 PolarHBondContact O-ND2 2.84Å; R402-N405 PolarHBondContact O-N 2.99Å; N405-N408 PolarHBondContact O-N 3.35Å; N405-V409 VanDerWaalsContact O-CG2 3.29Å; N405-V409 WeakPolarHBondContact O-CG2 3.47Å; N405-V409 PolarHBondContact O-N 2.85Å
406E63.7Low68.9Low53 Ų5363.8 Ų63.825%0.24829%0.291CS..Hα-helixtrans-63-49.5179.2-172.5-178.8169.900111.6R402 I403 N408 V409 I410 G507R402-E406 WeakPolarHBondContact O-CB 3.41Å; R402-E406 PolarHBondContact O-N 3.34Å; I403-E406 PolarHBondContact O-N 2.95Å; E406-N408 PolarHBondContact O-N 2.89Å; E406-V409 PolarHBondContact O-N 3.35Å; E406-V409 VanDerWaalsContact O-N 3.14Å; E406-I410 HydrophobicContact CG-CD1 3.98Å; E406-I410 WeakPolarHBondContact O-CB 3.25Å; E406-I410 WeakPolarHBondContact O-CG1 3.44Å; E406-I410 PolarHBondContact O-N 3.3Å; E406-G507 VanDerWaalsContact OE1-C 3.24Å; E406-G507 VanDerWaalsContact OE1-CA 3.27Å; E406-G507 WeakPolarHBondContact OE1-CA 3.5Å
407V67.4Low70.4Confident4 Ų463.9 Ų63.92%0.02430%0.302CS..Hα-helixtrans-68-28.8179.2-171.50000111.2I403 R411 Y422 T425 I434I403-V407 HydrophobicContact CG2-CG2 4.14Å; I403-V407 VanDerWaalsContact O-CG2 3.3Å; I403-V407 WeakPolarHBondContact O-CG2 3.4Å; I403-V407 PolarHBondContact O-N 2.87Å; V407-R411 WeakPolarHBondContact O-CB 3.43Å; V407-R411 PolarHBondContact O-N 3.48Å; V407-Y422 HydrophobicContact CG1-CD1 3.9Å; V407-T425 HydrophobicContact CB-CG2 3.52Å; V407-T425 HydrophobicContact CG1-CG2 3.16Å; V407-T425 HydrophobicContact CG2-CG2 4.02Å; V407-I434 HydrophobicContact CG1-CG2 4.1Å; V407-I434 HydrophobicContact CG2-CD1 4.32Å
408N67.3Low71.8Confident44 Ų4459.9 Ų59.924%0.23528%0.284CS..Hα-helixtrans-67-42.3171.2-83-42.4000112.4L404 N405 E406 R411 Q412L404-N408 WeakPolarHBondContact O-CB 3.44Å; L404-N408 PolarHBondContact O-N 2.96Å; L404-N408 PolarHBondContact O-ND2 3.11Å; N405-N408 PolarHBondContact O-N 3.35Å; E406-N408 PolarHBondContact O-N 2.89Å; N408-R411 PolarHBondContact O-N 2.97Å; N408-R411 PolarHBondContact OD1-NE 3.4Å; N408-R411 PolarHBondContact OD1-NH2 3.41Å; N408-Q412 WeakPolarHBondContact O-CG 3.3Å; N408-Q412 PolarHBondContact O-N 2.94Å
409V64.2Low73Confident67 Ų6755.3 Ų55.341%0.40626%0.262SS..Hα-helixtrans-61.5-50.2174.1170.30000109.9N405 E406 R411 Q412 Q413N405-V409 VanDerWaalsContact O-CG2 3.29Å; N405-V409 WeakPolarHBondContact O-CG2 3.47Å; N405-V409 PolarHBondContact O-N 2.85Å; E406-V409 PolarHBondContact O-N 3.35Å; E406-V409 VanDerWaalsContact O-N 3.14Å; V409-R411 VanDerWaalsContact C-N 3.33Å; V409-R411 PolarHBondContact O-N 3.36Å; V409-Q412 PolarHBondContact O-N 3.25Å; V409-Q413 HydrophobicContact CG1-CG 4.49Å; V409-Q413 VanDerWaalsContact O-CB 3.31Å; V409-Q413 WeakPolarHBondContact O-CB 3.42Å; V409-Q413 VanDerWaalsContact O-CG 3.29Å; V409-Q413 WeakPolarHBondContact O-CG 3.36Å; V409-Q413 PolarHBondContact O-N 3.06Å
410I67.2Low74.4Confident7 Ų755 Ų554%0.03626%0.26CS..Hα-helixtrans-53.8-49.7175-76.1170.3000110.8E406 Q412 Q413 L414 Y422 F506E406-I410 HydrophobicContact CG-CD1 3.98Å; E406-I410 WeakPolarHBondContact O-CB 3.25Å; E406-I410 WeakPolarHBondContact O-CG1 3.44Å; E406-I410 PolarHBondContact O-N 3.3Å; I410-Q412 PolarHBondContact O-N 3.47Å; I410-Q413 PolarHBondContact O-N 3.5Å; I410-L414 HydrophobicContact CB-CD1 4.44Å; I410-L414 HydrophobicContact CG1-CD1 4.48Å; I410-L414 HydrophobicContact CG2-CD1 3.84Å; I410-L414 HydrophobicContact CG2-CG 4.38Å; I410-L414 WeakPolarHBondContact O-CB 3.48Å; I410-L414 WeakPolarHBondContact O-CG 3.34Å; I410-L414 PolarHBondContact O-N 2.9Å; I410-Y422 HydrophobicContact CG2-CD1 4.27Å; I410-Y422 HydrophobicContact CG2-CD2 3.62Å; I410-Y422 HydrophobicContact CG2-CE2 4.06Å; I410-Y422 HydrophobicContact CG2-CG 3.76Å; I410-F506 HydrophobicContact CD1-CD2 4.34Å; I410-F506 HydrophobicContact CG2-CD2 4.45Å; I410-F506 HydrophobicContact CG2-CE2 3.66Å
411R68.1Low75.4Confident96 Ų9658.9 Ų58.936%0.36227%0.274SS..Hα-helixtrans-58.5-46-179.6170.6174.670.6141.73.3112.6V407 N408 V409 Q413 Y423V407-R411 WeakPolarHBondContact O-CB 3.43Å; V407-R411 PolarHBondContact O-N 3.48Å; N408-R411 PolarHBondContact O-N 2.97Å; N408-R411 PolarHBondContact OD1-NE 3.4Å; N408-R411 PolarHBondContact OD1-NH2 3.41Å; V409-R411 VanDerWaalsContact C-N 3.33Å; V409-R411 PolarHBondContact O-N 3.36Å; R411-Q413 VanDerWaalsContact C-N 3.32Å; R411-Y423 VanDerWaalsContact CD-C 3.41Å; R411-Y423 WeakPolarHBondContact CD-O 3.45Å; R411-Y423 PolarHBondContact NH1-O 3.46Å
412Q65.9Low76.3Confident142 Ų14256.5 Ų56.566%0.66426%0.26SS*.Hα-helixtrans-73.6-30-175.4-71176.520.300111.7N408 V409 I410N408-Q412 WeakPolarHBondContact O-CG 3.3Å; N408-Q412 PolarHBondContact O-N 2.94Å; V409-Q412 PolarHBondContact O-N 3.25Å; I410-Q412 PolarHBondContact O-N 3.47Å
413Q68.3Low77.3Confident82 Ų8254 Ų5438%0.38325%0.252SS..Hα-helixtrans-100.2-29.4-168.4-64.5-173.40.200114V409 I410 R411 Y476 K481V409-Q413 HydrophobicContact CG1-CG 4.49Å; V409-Q413 VanDerWaalsContact O-CB 3.31Å; V409-Q413 WeakPolarHBondContact O-CB 3.42Å; V409-Q413 VanDerWaalsContact O-CG 3.29Å; V409-Q413 WeakPolarHBondContact O-CG 3.36Å; V409-Q413 PolarHBondContact O-N 3.06Å; I410-Q413 PolarHBondContact O-N 3.5Å; R411-Q413 VanDerWaalsContact C-N 3.32Å; Q413-Y476 PolarHBondContact O-OH 3.26Å; Q413-K481 HydrophobicContact CB-CD 4.32Å; Q413-K481 WeakPolarHBondContact O-CE 3.44Å; Q413-K481 PolarHBondContact O-NZ 3.11Å
414L81.1Confident78.1Confident5 Ų555.9 Ų55.93%0.02626%0.259CS..  trans-95.1109-169.8-55.2-171000113I410 I419 Y476 L477 K481 I483 F506I410-L414 HydrophobicContact CB-CD1 4.44Å; I410-L414 HydrophobicContact CG1-CD1 4.48Å; I410-L414 HydrophobicContact CG2-CD1 3.84Å; I410-L414 HydrophobicContact CG2-CG 4.38Å; I410-L414 WeakPolarHBondContact O-CB 3.48Å; I410-L414 WeakPolarHBondContact O-CG 3.34Å; I410-L414 PolarHBondContact O-N 2.9Å; L414-I419 HydrophobicContact CB-CG2 4.4Å; L414-I419 HydrophobicContact CD1-CG2 4.28Å; L414-Y476 WeakPolarHBondContact CA-OH 3.41Å; L414-Y476 HydrophobicContact CB-CE1 4.45Å; L414-Y476 HydrophobicContact CD2-CE1 3.79Å; L414-L477 HydrophobicContact CD1-CD2 4.08Å; L414-L477 HydrophobicContact CD2-CD2 4.19Å; L414-K481 HydrophobicContact CD2-CB 4.1Å; L414-K481 HydrophobicContact CD2-CD 4.08Å; L414-K481 HydrophobicContact CD2-CG 3.59Å; L414-I483 HydrophobicContact CD1-CD1 4.5Å; L414-I483 HydrophobicContact CD2-CD1 4.02Å; L414-F506 HydrophobicContact CD1-CD2 4Å; L414-F506 HydrophobicContact CD1-CE2 3.2Å; L414-F506 HydrophobicContact CD1-CZ 3.56Å
415R84.9Confident78.7Confident172 Ų17255.1 Ų55.165%0.64926%0.257SS*.  trans-138.998170.9-77.5-173.8162.6142.6-6.1109.2R421 Y476R415-R421 VanDerWaalsContact NH2-NH2 3.18Å; R415-Y476 PolarHBondContact N-OH 3.06Å; R415-Y476 PolarHBondContact O-OH 3.07Å
416H90.7Very high79.6Confident42 Ų4250.7 Ų50.719%0.19423%0.232CC..  trans-149.3140.7177-174.3-91.8000109.6N418 I419 Y476H416-N418 PolarHBondContact CE1-OD1 2.88Å; H416-N418 PolarHBondContact ND1-N 3.07Å; H416-N418 VanDerWaalsContact ND1-N 3.13Å; H416-N418 PolarHBondContact O-N 3.41Å; H416-I419 HydrophobicContact CB-CB 4.04Å; H416-I419 HydrophobicContact CB-CG1 3.85Å; H416-I419 PolarHBondContact O-N 3.42Å; H416-I419 VanDerWaalsContact O-N 3.12Å; H416-Y476 HydrophobicContact CB-CD1 3.64Å; H416-Y476 HydrophobicContact CB-CD2 4.25Å; H416-Y476 HydrophobicContact CB-CE1 3.73Å; H416-Y476 HydrophobicContact CB-CE2 4.35Å; H416-Y476 HydrophobicContact CB-CG 3.89Å; H416-Y476 AromaticContact CD2-CD2 3.95Å; H416-Y476 AromaticContact CD2-CG 3.82Å; H416-Y476 AromaticContact CG-CG 3.89Å
417P91.4Very high80.5Confident81 Ų8150.7 Ų50.753%0.52623%0.234SC..THydrogen-bonded Turntrans-59.6-29.1-176.822.4-34.9000114.1K500P417-K500 WeakPolarHBondContact O-CE 3.37Å
418N94.8Very high81.3Confident7 Ų753.3 Ų53.34%0.03725%0.248CC..THydrogen-bonded Turntrans-9712.6179.9-50.7105.8000114H416 Q469 V501 I503H416-N418 PolarHBondContact CE1-OD1 2.88Å; H416-N418 PolarHBondContact ND1-N 3.07Å; H416-N418 VanDerWaalsContact ND1-N 3.13Å; H416-N418 PolarHBondContact O-N 3.41Å; N418-Q469 WeakPolarHBondContact CB-O 3.5Å; N418-Q469 WeakPolarHBondContact ND2-CB 3.4Å; N418-Q469 PolarHBondContact ND2-OE1 2.89Å; N418-Q469 VanDerWaalsContact ND2-OE1 3.14Å; N418-V501 WeakPolarHBondContact CA-O 3.44Å; N418-V501 WeakPolarHBondContact CB-O 3.23Å; N418-V501 PolarHBondContact ND2-O 2.95Å; N418-I503 PolarHBondContact O-N 3.4Å
419I91.7Very high82Confident4 Ų455.7 Ų55.72%0.02127%0.268CS..BIsolated β-bridgetrans-126.7129.2178.6-60.6-59.7000108.5L414 H416 R421 Y476 L477 I503 F506L414-I419 HydrophobicContact CB-CG2 4.4Å; L414-I419 HydrophobicContact CD1-CG2 4.28Å; H416-I419 HydrophobicContact CB-CB 4.04Å; H416-I419 HydrophobicContact CB-CG1 3.85Å; H416-I419 PolarHBondContact O-N 3.42Å; H416-I419 VanDerWaalsContact O-N 3.12Å; I419-R421 PolarHBondContact O-N 3.43Å; I419-Y476 HydrophobicContact CG1-CD1 4.05Å; I419-L477 HydrophobicContact CD1-CD1 3.71Å; I419-L477 HydrophobicContact CD1-CD2 4.28Å; I419-L477 HydrophobicContact CD1-CG 3.82Å; I419-L477 HydrophobicContact CG1-CG 4.47Å; I419-I503 HydrophobicContact CD1-CB 4.06Å; I419-I503 HydrophobicContact CD1-CD1 4.11Å; I419-I503 HydrophobicContact CD1-CG1 4.49Å; I419-F506 HydrophobicContact CG2-CD1 4.5Å; I419-F506 HydrophobicContact CG2-CE1 3.42Å; I419-F506 VanDerWaalsContact CG2-CE1 3.42Å; I419-F506 HydrophobicContact CG2-CZ 3.39Å
420V91.6Very high82.7Confident0 Ų056.6 Ų56.60%027%0.27CS..PPolyproline II helixtrans-61136.9-179.5720000111.4Y422 M436 E437 L439 T502 I503 T504 F506V420-Y422 HydrophobicContact CG1-CD2 4.32Å; V420-Y422 HydrophobicContact CG1-CE2 3.56Å; V420-Y422 WeakPolarHBondContact O-CD2 3.17Å; V420-M436 HydrophobicContact CG2-CB 4.43Å; V420-E437 HydrophobicContact CG2-CB 4.03Å; V420-L439 HydrophobicContact CB-CD1 4.3Å; V420-L439 HydrophobicContact CG2-CD1 3.93Å; V420-L439 HydrophobicContact CG2-CG 4.34Å; V420-T502 HydrophobicContact CB-CG2 4Å; V420-T502 VanDerWaalsContact N-CG2 3.34Å; V420-I503 PolarHBondContact N-O 3.3Å; V420-T504 HydrophobicContact CB-CG2 4.04Å; V420-T504 HydrophobicContact CG1-CG2 4.27Å; V420-T504 HydrophobicContact CG2-CG2 4.39Å; V420-F506 HydrophobicContact CG1-CE1 3.77Å; V420-F506 HydrophobicContact CG1-CZ 4.12Å
421R88.7Confident83.5Confident95 Ų9558.4 Ų58.436%0.35828%0.279SS..PPolyproline II helixtrans-83130.1180-173.4173.3178.8-175.6-4.9111.7R415 I419 Y423 M436 E437R415-R421 VanDerWaalsContact NH2-NH2 3.18Å; I419-R421 PolarHBondContact O-N 3.43Å; R421-Y423 HydrophobicContact CG-CD1 4.41Å; R421-Y423 HydrophobicContact CG-CE1 4.06Å; R421-M436 CarbonylContact O-C 3.52Å; R421-M436 VanDerWaalsContact O-CA 3.24Å; R421-M436 WeakPolarHBondContact O-CA 3.33Å; R421-M436 WeakPolarHBondContact O-CB 3.37Å; R421-E437 HydrophobicContact CB-CB 4.08Å; R421-E437 PolarHBondContact N-OE2 3.24Å; R421-E437 PolarHBondContact O-N 2.94Å
422Y86.9Confident84.3Confident13 Ų1354.2 Ų54.25%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-94.5131.9170.8-70.2-105.8000109.5V407 I410 V420 I434 M436 F506V407-Y422 HydrophobicContact CG1-CD1 3.9Å; I410-Y422 HydrophobicContact CG2-CD1 4.27Å; I410-Y422 HydrophobicContact CG2-CD2 3.62Å; I410-Y422 HydrophobicContact CG2-CE2 4.06Å; I410-Y422 HydrophobicContact CG2-CG 3.76Å; V420-Y422 HydrophobicContact CG1-CD2 4.32Å; V420-Y422 HydrophobicContact CG1-CE2 3.56Å; V420-Y422 WeakPolarHBondContact O-CD2 3.17Å; Y422-I434 HydrophobicContact CD1-CG2 3.59Å; Y422-I434 HydrophobicContact CE1-CG2 3.72Å; Y422-M436 HydrophobicContact CE1-SD 4.46Å; Y422-F506 AromaticContact CD2-CE2 3.9Å; Y422-F506 HydrophobicContact CD2-CE2 3.9Å; Y422-F506 AromaticContact CD2-CZ 3.81Å; Y422-F506 HydrophobicContact CD2-CZ 3.81Å; Y422-F506 HydrophobicContact CE2-CD2 4.17Å; Y422-F506 AromaticContact CE2-CE1 3.9Å; Y422-F506 HydrophobicContact CE2-CE1 3.9Å; Y422-F506 AromaticContact CE2-CE2 3.25Å; Y422-F506 HydrophobicContact CE2-CE2 3.25Å; Y422-F506 AromaticContact CE2-CZ 3.15Å; Y422-F506 HydrophobicContact CE2-CZ 3.15Å; Y422-F506 AromaticContact CZ-CE2 3.87Å
423Y86.1Confident85.3Confident76 Ų7647.8 Ų47.830%0.29823%0.233SC..EExtended strand (participates in β ladder)trans-103.3-42.3-177.4-67.1-64.6000113.4Y377 R411 R421 V435 E437Y377-Y423 AromaticContact CD1-CD2 3.61Å; Y377-Y423 HydrophobicContact CD1-CD2 3.61Å; Y377-Y423 AromaticContact CD1-CE2 3.6Å; Y377-Y423 HydrophobicContact CD1-CE2 3.6Å; Y377-Y423 AromaticContact CE1-CD2 3.72Å; Y377-Y423 HydrophobicContact CE1-CD2 3.72Å; Y377-Y423 AromaticContact CE1-CE2 3.62Å; Y377-Y423 HydrophobicContact CE1-CE2 3.62Å; Y377-Y423 HydrophobicContact CE1-CG 4.35Å; R411-Y423 VanDerWaalsContact CD-C 3.41Å; R411-Y423 WeakPolarHBondContact CD-O 3.45Å; R411-Y423 PolarHBondContact NH1-O 3.46Å; R421-Y423 HydrophobicContact CG-CD1 4.41Å; R421-Y423 HydrophobicContact CG-CE1 4.06Å; Y423-V435 HydrophobicContact CD2-CG1 4.27Å; Y423-V435 PolarHBondContact N-O 3.21Å; Y423-E437 HydrophobicContact CE2-CB 4.2Å
424K83.6Confident86.2Confident45 Ų4544 Ų4420%0.19622%0.215CC..EExtended strand (participates in β ladder)trans-171.2164.2175.656.8170.5175.21690111.6E349 Y350 F426 V435E349-K424 VanDerWaalsContact CD-NZ 3.32Å; E349-K424 IonicContact OE1-NZ 3.68Å; E349-K424 PolarHBondContact OE1-NZ 3.41Å; E349-K424 IonicContact OE2-NZ 3.79Å; E349-K424 PolarHBondContact OE2-NZ 2.92Å; Y350-K424 VanDerWaalsContact CE2-CE 3.49Å; Y350-K424 WeakPolarHBondContact OH-CE 3.39Å; K424-F426 HydrophobicContact CD-CD1 4.26Å; K424-V435 HydrophobicContact CG-CB 3.96Å; K424-V435 HydrophobicContact CG-CG2 3.89Å; K424-V435 PolarHBondContact N-O 2.88Å; K424-V435 PolarHBondContact O-N 3.14Å
425T82.7Confident86.7Confident20 Ų2043.7 Ų43.712%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-122.5150.2166.246.20000110.2V407 Y433 I434V407-T425 HydrophobicContact CB-CG2 3.52Å; V407-T425 HydrophobicContact CG1-CG2 3.16Å; V407-T425 HydrophobicContact CG2-CG2 4.02Å; T425-Y433 VanDerWaalsContact CA-O 3.27Å; T425-Y433 WeakPolarHBondContact CA-O 3.35Å; T425-I434 HydrophobicContact CG2-CB 4.14Å; T425-I434 HydrophobicContact CG2-CG1 3.86Å; T425-I434 HydrophobicContact CG2-CG2 3.94Å
426F84.8Confident86.9Confident10 Ų1036.1 Ų36.14%0.04419%0.186CC..EExtended strand (participates in β ladder)trans-156152.1171.960.4-92.9000110.9V347 R348 Y350 K424 D428 Y433 V435V347-F426 HydrophobicContact CG1-CE2 3.59Å; V347-F426 HydrophobicContact CG1-CZ 3.82Å; R348-F426 HydrophobicContact CG-CD2 4.49Å; R348-F426 HydrophobicContact CG-CE2 4.1Å; R348-F426 VanDerWaalsContact CZ-CD2 3.48Å; R348-F426 VanDerWaalsContact NE-CD2 3.26Å; Y350-F426 HydrophobicContact CD2-CE1 4.32Å; Y350-F426 HydrophobicContact CD2-CZ 4.3Å; Y350-F426 HydrophobicContact CE2-CE1 4.05Å; Y350-F426 HydrophobicContact CE2-CZ 4.48Å; K424-F426 HydrophobicContact CD-CD1 4.26Å; F426-D428 HydrophobicContact CD2-CB 4.1Å; F426-D428 HydrophobicContact CE2-CB 4.06Å; F426-Y433 HydrophobicContact CD2-CD2 4.19Å; F426-Y433 HydrophobicContact CD2-CG 4.47Å; F426-Y433 AromaticContact CE2-CD2 3.7Å; F426-Y433 HydrophobicContact CE2-CD2 3.7Å; F426-Y433 AromaticContact CE2-CG 3.79Å; F426-Y433 HydrophobicContact CE2-CG 3.79Å; F426-Y433 HydrophobicContact CZ-CD2 4.38Å; F426-Y433 HydrophobicContact CZ-CG 4.02Å; F426-Y433 PolarHBondContact N-O 3.07Å; F426-Y433 PolarHBondContact O-N 3.15Å; F426-V435 HydrophobicContact CD1-CG2 4.31Å; F426-V435 HydrophobicContact CE1-CG2 3.64Å
427L83.8Confident86.9Confident53 Ų5336 Ų3628%0.27719%0.185SC..EExtended strand (participates in β ladder)trans-90.4136.7167.7-74.4151.6000109.5R348 T384 I400 L404 H431 L432R348-L427 PolarHBondContact NH2-O 3.25Å; T384-L427 HydrophobicContact CG2-CD2 3.9Å; I400-L427 HydrophobicContact CD1-CD1 4.32Å; I400-L427 HydrophobicContact CD1-CD2 4.2Å; I400-L427 HydrophobicContact CG2-CD1 3.48Å; I400-L427 VanDerWaalsContact CG2-CD1 3.48Å; I400-L427 HydrophobicContact CG2-CG 4.49Å; L404-L427 HydrophobicContact CD1-CD1 4.15Å; L427-H431 WeakPolarHBondContact CA-O 3.41Å; L427-L432 HydrophobicContact CD2-CB 4.2Å; L427-L432 HydrophobicContact CD2-CD1 4.36Å; L427-L432 HydrophobicContact CG-CD1 4.28Å
428D84.3Confident86.9Confident59 Ų5934 Ų3432%0.31617%0.168SC..EExtended strand (participates in β ladder)trans-142.7121.4169.5-172.943.8000107.6V347 F426 H431 Y433V347-D428 HydrophobicContact CG1-CB 4.37Å; F426-D428 HydrophobicContact CD2-CB 4.1Å; F426-D428 HydrophobicContact CE2-CB 4.06Å; D428-H431 PolarHBondContact N-O 3.47Å; D428-H431 PolarHBondContact O-N 3.5Å; D428-Y433 HydrophobicContact CB-CD2 3.98Å; D428-Y433 HydrophobicContact CB-CE2 3.8Å
429S80.8Confident86.7Confident93 Ų9334.5 Ų34.565%0.6517%0.171SC*.THydrogen-bonded Turntrans52.3-133.4-165.868.30000112.5H431S429-H431 VanDerWaalsContact C-N 3.26Å; S429-H431 PolarHBondContact O-N 2.83Å
430D79.7Confident86.3Confident87 Ų8737.7 Ų37.747%0.46519%0.188SC..THydrogen-bonded Turntrans-89.925.8176.8-74.2-48.3000113.1T384 R396T384-D430 WeakPolarHBondContact CB-O 3.35Å; T384-D430 WeakPolarHBondContact CG2-O 3.18Å; T384-D430 PolarHBondContact N-O 3.38Å; T384-D430 VanDerWaalsContact N-O 3.08Å; T384-D430 WeakPolarHBondContact OG1-CA 3.38Å; T384-D430 PolarHBondContact OG1-O 2.85Å; R396-D430 IonicContact CZ-OD1 2.84Å; R396-D430 IonicContact NH1-OD1 3.82Å; R396-D430 IonicContact NH2-OD1 3.79Å; R396-D430 PolarHBondContact NH2-OD1 3.27Å
431H84.5Confident85.9Confident45 Ų4538.8 Ų38.821%0.20820%0.2CC..EExtended strand (participates in β ladder)trans-129.7136.5-176.6-62.9-60.8000112.2K381 V382 L427 D428 S429 Y433K381-H431 WeakPolarHBondContact CE-CD2 3.32Å; K381-H431 WeakPolarHBondContact CE-ND1 3.49Å; K381-H431 VanDerWaalsContact CE-NE2 3.25Å; K381-H431 WeakPolarHBondContact CE-NE2 3.45Å; K381-H431 HydrophobicContact CG-CB 4.16Å; K381-H431 PolarHBondContact NZ-CD2 3.25Å; K381-H431 PolarHBondContact NZ-NE2 2.95Å; V382-H431 WeakPolarHBondContact O-CA 3.34Å; L427-H431 WeakPolarHBondContact CA-O 3.41Å; D428-H431 PolarHBondContact N-O 3.47Å; D428-H431 PolarHBondContact O-N 3.5Å; S429-H431 VanDerWaalsContact C-N 3.26Å; S429-H431 PolarHBondContact O-N 2.83Å; H431-Y433 HydrophobicContact CB-CD2 4.22Å; H431-Y433 HydrophobicContact CB-CE2 3.51Å
432L83.3Confident85.8Confident7 Ų735.2 Ų35.24%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-91.8127.6167.9175.572.5000108.4V382 T384 I403 L404 L427 I434V382-L432 HydrophobicContact CB-CB 4.27Å; V382-L432 PolarHBondContact N-O 3.21Å; V382-L432 PolarHBondContact O-N 3.41Å; T384-L432 HydrophobicContact CG2-CB 4.3Å; I403-L432 HydrophobicContact CB-CD2 4.21Å; I403-L432 HydrophobicContact CD1-CD2 4.46Å; I403-L432 HydrophobicContact CG2-CD2 3.31Å; L404-L432 HydrophobicContact CD2-CD1 3.73Å; L427-L432 HydrophobicContact CD2-CB 4.2Å; L427-L432 HydrophobicContact CD2-CD1 4.36Å; L427-L432 HydrophobicContact CG-CD1 4.28Å; L432-I434 HydrophobicContact CD2-CG1 4.48Å; L432-I434 HydrophobicContact CG-CG1 4.47Å
433Y88.3Confident85.9Confident7 Ų735 Ų353%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-110.7129176.6-66.5-90.3000110.1V347 I379 K380 K381 T425 F426 D428 H431V347-Y433 HydrophobicContact CG1-CD1 4.22Å; V347-Y433 HydrophobicContact CG1-CD2 4.11Å; V347-Y433 HydrophobicContact CG1-CE1 4.04Å; V347-Y433 HydrophobicContact CG1-CE2 3.93Å; V347-Y433 HydrophobicContact CG1-CG 4.24Å; V347-Y433 HydrophobicContact CG2-CE1 4.01Å; I379-Y433 HydrophobicContact CG2-CD1 3.72Å; I379-Y433 HydrophobicContact CG2-CG 4.38Å; K380-Y433 CarbonylContact O-C 3.49Å; K380-Y433 WeakPolarHBondContact O-CA 3.36Å; K381-Y433 HydrophobicContact CB-CD1 4.05Å; K381-Y433 HydrophobicContact CB-CE1 3.79Å; K381-Y433 HydrophobicContact CD-CE1 3.79Å; K381-Y433 VanDerWaalsContact CE-OH 3.3Å; K381-Y433 WeakPolarHBondContact CE-OH 3.31Å; K381-Y433 HydrophobicContact CG-CD1 4.23Å; K381-Y433 HydrophobicContact CG-CE1 3.6Å; K381-Y433 PolarHBondContact NZ-OH 2.91Å; T425-Y433 VanDerWaalsContact CA-O 3.27Å; T425-Y433 WeakPolarHBondContact CA-O 3.35Å; F426-Y433 HydrophobicContact CD2-CD2 4.19Å; F426-Y433 HydrophobicContact CD2-CG 4.47Å; F426-Y433 AromaticContact CE2-CD2 3.7Å; F426-Y433 HydrophobicContact CE2-CD2 3.7Å; F426-Y433 AromaticContact CE2-CG 3.79Å; F426-Y433 HydrophobicContact CE2-CG 3.79Å; F426-Y433 HydrophobicContact CZ-CD2 4.38Å; F426-Y433 HydrophobicContact CZ-CG 4.02Å; F426-Y433 PolarHBondContact N-O 3.07Å; F426-Y433 PolarHBondContact O-N 3.15Å; D428-Y433 HydrophobicContact CB-CD2 3.98Å; D428-Y433 HydrophobicContact CB-CE2 3.8Å; H431-Y433 HydrophobicContact CB-CD2 4.22Å; H431-Y433 HydrophobicContact CB-CE2 3.51Å
434I87.3Confident86.3Confident2 Ų231.4 Ų31.41%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-114.1112.9176.4-49.8176.1000108.3I379 K380 V382 V407 Y422 T425 L432 L508I379-I434 CarbonylContact C-O 3.59Å; I379-I434 VanDerWaalsContact CA-O 3.3Å; I379-I434 WeakPolarHBondContact CA-O 3.41Å; K380-I434 HydrophobicContact CB-CB 4.24Å; K380-I434 PolarHBondContact N-O 3.21Å; K380-I434 PolarHBondContact O-N 3.15Å; V382-I434 HydrophobicContact CG2-CD1 4.46Å; V407-I434 HydrophobicContact CG1-CG2 4.1Å; V407-I434 HydrophobicContact CG2-CD1 4.32Å; Y422-I434 HydrophobicContact CD1-CG2 3.59Å; Y422-I434 HydrophobicContact CE1-CG2 3.72Å; T425-I434 HydrophobicContact CG2-CB 4.14Å; T425-I434 HydrophobicContact CG2-CG1 3.86Å; T425-I434 HydrophobicContact CG2-CG2 3.94Å; L432-I434 HydrophobicContact CD2-CG1 4.48Å; L432-I434 HydrophobicContact CG-CG1 4.47Å; I434-L508 HydrophobicContact CD1-CD1 4.25Å; I434-L508 HydrophobicContact CD1-CD2 4.26Å
435V90.2Very high86.6Confident0 Ų030.4 Ų30.40%017%0.172CC..EExtended strand (participates in β ladder)trans-92.3125.8179.2-1720000109.5Y350 Y377 I379 Y423 K424 F426Y350-V435 HydrophobicContact CE1-CG1 4.06Å; Y350-V435 HydrophobicContact CE2-CG2 4.01Å; Y377-V435 HydrophobicContact CD1-CG1 3.83Å; Y377-V435 HydrophobicContact CG-CG1 4.1Å; I379-V435 HydrophobicContact CD1-CG2 4.23Å; I379-V435 HydrophobicContact CG1-CG1 4.34Å; I379-V435 HydrophobicContact CG1-CG2 4.22Å; Y423-V435 HydrophobicContact CD2-CG1 4.27Å; Y423-V435 PolarHBondContact N-O 3.21Å; K424-V435 HydrophobicContact CG-CB 3.96Å; K424-V435 HydrophobicContact CG-CG2 3.89Å; K424-V435 PolarHBondContact N-O 2.88Å; K424-V435 PolarHBondContact O-N 3.14Å; F426-V435 HydrophobicContact CD1-CG2 4.31Å; F426-V435 HydrophobicContact CE1-CG2 3.64Å
436M90.3Very high86.7Confident12 Ų1232.8 Ų32.86%0.05918%0.182CC..EExtended strand (participates in β ladder)trans-137.6166.5-174.320.3179.9-80.100111.1A378 V420 R421 Y422 F438A378-M436 HydrophobicContact CB-CE 3.77Å; A378-M436 HydrophobicContact CB-CG 4.13Å; A378-M436 PolarHBondContact N-O 3.21Å; A378-M436 VanDerWaalsContact O-CG 3.32Å; A378-M436 WeakPolarHBondContact O-CG 3.37Å; A378-M436 PolarHBondContact O-N 3.45Å; V420-M436 HydrophobicContact CG2-CB 4.43Å; R421-M436 CarbonylContact O-C 3.52Å; R421-M436 VanDerWaalsContact O-CA 3.24Å; R421-M436 WeakPolarHBondContact O-CA 3.33Å; R421-M436 WeakPolarHBondContact O-CB 3.37Å; Y422-M436 HydrophobicContact CE1-SD 4.46Å; M436-F438 PolarHBondContact O-N 3.01Å
437E91.1Very high86.8Confident39 Ų3933.1 Ų33.118%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-54.6130.5172-178.1176.9-17400110.6V420 R421 Y423 L439 K500V420-E437 HydrophobicContact CG2-CB 4.03Å; R421-E437 HydrophobicContact CB-CB 4.08Å; R421-E437 PolarHBondContact N-OE2 3.24Å; R421-E437 PolarHBondContact O-N 2.94Å; Y423-E437 HydrophobicContact CE2-CB 4.2Å; E437-L439 HydrophobicContact CG-CD2 3.91Å; E437-L439 PolarHBondContact O-N 3.12Å; E437-K500 IonicContact OE1-NZ 3.71Å
438F91.3Very high87.1Confident39 Ų3931 Ų3117%0.17117%0.173CC..  trans-79.1117.4168178.8-110.1000108.7L356 K366 N376 M436 D440L356-F438 HydrophobicContact CD1-CD2 3.97Å; L356-F438 HydrophobicContact CD1-CE2 3.79Å; L356-F438 HydrophobicContact CD2-CE2 4.07Å; K366-F438 HydrophobicContact CB-CE2 4.32Å; K366-F438 HydrophobicContact CD-CE2 3.89Å; K366-F438 HydrophobicContact CD-CZ 3.87Å; K366-F438 HydrophobicContact CG-CD2 4.07Å; K366-F438 HydrophobicContact CG-CE2 3.85Å; K366-F438 HydrophobicContact CG-CZ 4.29Å; N376-F438 HydrophobicContact CB-CB 4.08Å; N376-F438 HydrophobicContact CB-CD1 3.74Å; N376-F438 HydrophobicContact CB-CE1 4.45Å; N376-F438 HydrophobicContact CB-CG 3.96Å; N376-F438 WeakPolarHBondContact O-CB 3.48Å; M436-F438 PolarHBondContact O-N 3.01Å; F438-D440 HydrophobicContact CD1-CB 4.38Å; F438-D440 HydrophobicContact CE1-CB 3.86Å
439L90Very high87Confident18 Ų1831.9 Ų31.99%0.09418%0.177CC..  trans-95.8103.8177.8-60.5172.1000108.2V420 E437 G441 M494 T502 T504V420-L439 HydrophobicContact CB-CD1 4.3Å; V420-L439 HydrophobicContact CG2-CD1 3.93Å; V420-L439 HydrophobicContact CG2-CG 4.34Å; E437-L439 HydrophobicContact CG-CD2 3.91Å; E437-L439 PolarHBondContact O-N 3.12Å; L439-G441 PolarHBondContact O-N 2.94Å; L439-M494 HydrophobicContact CB-CB 4.19Å; L439-M494 HydrophobicContact CB-CE 4.46Å; L439-M494 HydrophobicContact CB-CG 4.35Å; L439-M494 HydrophobicContact CD1-CB 3.7Å; L439-M494 HydrophobicContact CD1-CG 3.74Å; L439-T502 HydrophobicContact CD1-CG2 3.66Å; L439-T502 HydrophobicContact CD2-CG2 3.98Å; L439-T504 HydrophobicContact CD1-CG2 3.5Å; L439-T504 VanDerWaalsContact CD1-CG2 3.5Å
440D83Confident86.7Confident71 Ų7127.5 Ų27.538%0.3815%0.146SC..  trans-76.790.8177-16618.8000109.7H281 F438 S496H281-D440 IonicContact CE1-OD1 2.72Å; H281-D440 PolarHBondContact CE1-OD1 2.71Å; H281-D440 IonicContact ND1-OD1 3.25Å; F438-D440 HydrophobicContact CD1-CB 4.38Å; F438-D440 HydrophobicContact CE1-CB 3.86Å; D440-S496 WeakPolarHBondContact O-CA 3.45Å; D440-S496 WeakPolarHBondContact O-CB 3.4Å
441G84.2Confident86.9Confident24 Ų2425.5 Ų25.525%0.24713%0.134CC..EExtended strand (participates in β ladder)trans-178.2-166.3-171.100000111.6L439 I495L439-G441 PolarHBondContact O-N 2.94Å; G441-I495 VanDerWaalsContact CA-O 3.23Å; G441-I495 WeakPolarHBondContact CA-O 3.21Å
442V85.6Confident86.7Confident19 Ų1928.6 Ų28.612%0.11515%0.146CC..EExtended strand (participates in β ladder)trans-123.5157.3178.2-62.80000110.8E280 E446 L447 I495E280-V442 HydrophobicContact CB-CB 4.43Å; E280-V442 HydrophobicContact CB-CG1 3.7Å; E280-V442 HydrophobicContact CB-CG2 4.15Å; V442-E446 HydrophobicContact CB-CB 4.32Å; V442-L447 HydrophobicContact CG2-CB 4.41Å; V442-I495 PolarHBondContact N-O 3.44Å; V442-I495 PolarHBondContact O-N 3.36Å
443S89.6Confident86.3Confident10 Ų1032.8 Ų32.87%0.0717%0.166CC..EExtended strand (participates in β ladder)trans-70153.217264.50000110.9T445 E446 L447 I493S443-T445 PolarHBondContact O-N 3.46Å; S443-E446 PolarHBondContact N-OE2 2.93Å; S443-E446 PolarHBondContact O-N 2.76Å; S443-E446 VanDerWaalsContact O-N 3.15Å; S443-E446 WeakPolarHBondContact OG-CB 3.31Å; S443-E446 VanDerWaalsContact OG-CD 3.29Å; S443-E446 WeakPolarHBondContact OG-CG 3.34Å; S443-E446 PolarHBondContact OG-N 3.39Å; S443-E446 PolarHBondContact OG-OE2 3.16Å; S443-L447 PolarHBondContact O-N 3.07Å; S443-I493 CarbonylContact C-O 3.58Å; S443-I493 VanDerWaalsContact CA-O 3.29Å; S443-I493 WeakPolarHBondContact CA-O 2.94Å
444L93.5Very high85.5Confident0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-59.8-34.3173.6174.961.8000110.7L447 L448 I466 S490 I493 I495 I551 M555L444-L447 PolarHBondContact O-N 3.27Å; L444-L448 HydrophobicContact CD1-CD1 4.26Å; L444-L448 HydrophobicContact CD1-CG 4.06Å; L444-L448 HydrophobicContact CG-CD1 3.92Å; L444-L448 HydrophobicContact CG-CG 4.24Å; L444-L448 WeakPolarHBondContact O-CB 3.48Å; L444-L448 WeakPolarHBondContact O-CD1 3.21Å; L444-L448 WeakPolarHBondContact O-CG 3.43Å; L444-L448 PolarHBondContact O-N 3.37Å; L444-I466 HydrophobicContact CD1-CD1 4.44Å; L444-S490 WeakPolarHBondContact CB-O 3.48Å; L444-S490 PolarHBondContact N-O 3.24Å; L444-I493 HydrophobicContact CB-CB 4Å; L444-I493 HydrophobicContact CB-CG2 4.01Å; L444-I493 HydrophobicContact CD2-CB 4.47Å; L444-I493 HydrophobicContact CD2-CD1 4.05Å; L444-I493 HydrophobicContact CD2-CG2 4.33Å; L444-I493 PolarHBondContact N-O 3.02Å; L444-I495 HydrophobicContact CB-CD1 4.21Å; L444-I495 HydrophobicContact CD1-CD1 3.83Å; L444-I551 HydrophobicContact CD2-CG2 3.67Å; L444-M555 HydrophobicContact CD1-CG 4.18Å; L444-M555 HydrophobicContact CD1-SD 4.23Å; L444-M555 HydrophobicContact CD2-CG 4.12Å; L444-M555 HydrophobicContact CD2-SD 4.08Å
445T89.7Confident85.1Confident23 Ų2343.3 Ų43.314%0.14122%0.218CC..Hα-helixtrans-58.3-48.9172.5-56.20000112.7S443 L447 L448 I449 S490 N491S443-T445 PolarHBondContact O-N 3.46Å; T445-L447 VanDerWaalsContact C-N 3.28Å; T445-L447 PolarHBondContact O-N 3.29Å; T445-L448 PolarHBondContact O-N 2.89Å; T445-I449 HydrophobicContact CG2-CD1 3.82Å; T445-I449 HydrophobicContact CG2-CG1 4.44Å; T445-I449 VanDerWaalsContact O-CG1 3.31Å; T445-I449 WeakPolarHBondContact O-CG1 3.28Å; T445-I449 PolarHBondContact O-N 3.44Å; T445-S490 PolarHBondContact N-O 3.03Å; T445-S490 WeakPolarHBondContact OG1-CB 3.27Å; T445-S490 PolarHBondContact OG1-O 3.41Å; T445-S490 PolarHBondContact OG1-OG 3.17Å; T445-N491 WeakPolarHBondContact CB-OD1 3.27Å; T445-N491 WeakPolarHBondContact CG2-OD1 3.43Å; T445-N491 WeakPolarHBondContact OG1-CA 3.42Å; T445-N491 VanDerWaalsContact OG1-CG 3.24Å; T445-N491 PolarHBondContact OG1-N 2.84Å; T445-N491 VanDerWaalsContact OG1-N 3.09Å; T445-N491 PolarHBondContact OG1-OD1 3.4Å
446E85.1Confident84.7Confident70 Ų7046.6 Ų46.633%0.32724%0.239SC..Hα-helixtrans-61-41.8178.6-74163.5151.300110.8V442 S443 I449 S450V442-E446 HydrophobicContact CB-CB 4.32Å; S443-E446 PolarHBondContact N-OE2 2.93Å; S443-E446 PolarHBondContact O-N 2.76Å; S443-E446 VanDerWaalsContact O-N 3.15Å; S443-E446 WeakPolarHBondContact OG-CB 3.31Å; S443-E446 VanDerWaalsContact OG-CD 3.29Å; S443-E446 WeakPolarHBondContact OG-CG 3.34Å; S443-E446 PolarHBondContact OG-N 3.39Å; S443-E446 PolarHBondContact OG-OE2 3.16Å; E446-I449 PolarHBondContact O-N 3.5Å; E446-S450 WeakPolarHBondContact O-CB 3.49Å; E446-S450 PolarHBondContact O-N 2.78Å
447L86.8Confident84.6Confident18 Ų1850 Ų509%0.09425%0.254CS..Hα-helixtrans-62.8-43.8176.7-169.465.7000112.1E280 V442 S443 L444 T445 S450 F451 F458 I495E280-L447 HydrophobicContact CG-CD1 4.25Å; V442-L447 HydrophobicContact CG2-CB 4.41Å; S443-L447 PolarHBondContact O-N 3.07Å; L444-L447 PolarHBondContact O-N 3.27Å; T445-L447 VanDerWaalsContact C-N 3.28Å; T445-L447 PolarHBondContact O-N 3.29Å; L447-S450 WeakPolarHBondContact O-CB 3.39Å; L447-S450 PolarHBondContact O-N 3.32Å; L447-F451 HydrophobicContact CD1-CD2 4Å; L447-F451 HydrophobicContact CD1-CE2 3.61Å; L447-F451 HydrophobicContact CD1-CZ 4.39Å; L447-F451 HydrophobicContact CG-CD2 4.27Å; L447-F451 HydrophobicContact CG-CE2 4.17Å; L447-F451 WeakPolarHBondContact O-CB 3.27Å; L447-F451 WeakPolarHBondContact O-CD2 3.48Å; L447-F451 PolarHBondContact O-N 3.11Å; L447-F458 HydrophobicContact CD2-CE1 3.87Å; L447-F458 HydrophobicContact CD2-CZ 3.62Å; L447-F458 HydrophobicContact CG-CE1 4.35Å; L447-F458 HydrophobicContact CG-CZ 3.8Å; L447-I495 HydrophobicContact CD2-CD1 3.5Å; L447-I495 VanDerWaalsContact CD2-CD1 3.5Å
448L90.2Very high84.6Confident7 Ų748.2 Ų48.24%0.03725%0.246CC..Hα-helixtrans-63.1-45.4177.2-71.6165.8000112.2L444 T445 S450 F451 K452 F458 Q554 M555 F558L444-L448 HydrophobicContact CD1-CD1 4.26Å; L444-L448 HydrophobicContact CD1-CG 4.06Å; L444-L448 HydrophobicContact CG-CD1 3.92Å; L444-L448 HydrophobicContact CG-CG 4.24Å; L444-L448 WeakPolarHBondContact O-CB 3.48Å; L444-L448 WeakPolarHBondContact O-CD1 3.21Å; L444-L448 WeakPolarHBondContact O-CG 3.43Å; L444-L448 PolarHBondContact O-N 3.37Å; T445-L448 PolarHBondContact O-N 2.89Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 3.28Å; L448-F451 PolarHBondContact O-N 3.5Å; L448-K452 WeakPolarHBondContact O-CB 3.26Å; L448-K452 PolarHBondContact O-N 2.93Å; L448-F458 HydrophobicContact CD2-CD2 4.37Å; L448-F458 HydrophobicContact CD2-CE2 3.66Å; L448-Q554 HydrophobicContact CD1-CG 3.82Å; L448-M555 HydrophobicContact CD2-CG 4.35Å; L448-F558 HydrophobicContact CB-CD1 4.24Å; L448-F558 HydrophobicContact CD2-CD1 3.67Å; L448-F558 HydrophobicContact CD2-CE1 3.87Å
449I82Confident84.7Confident78 Ų7849.7 Ų49.740%0.426%0.261SS..Hα-helixtrans-59.4-44.9176.6-70.9168.2000109.7T445 E446 K452 E453T445-I449 HydrophobicContact CG2-CD1 3.82Å; T445-I449 HydrophobicContact CG2-CG1 4.44Å; T445-I449 VanDerWaalsContact O-CG1 3.31Å; T445-I449 WeakPolarHBondContact O-CG1 3.28Å; T445-I449 PolarHBondContact O-N 3.44Å; E446-I449 PolarHBondContact O-N 3.5Å; I449-K452 PolarHBondContact O-N 3.31Å; I449-E453 WeakPolarHBondContact CG2-OE1 3.23Å; I449-E453 WeakPolarHBondContact O-CG 3.43Å; I449-E453 PolarHBondContact O-N 2.87Å
450S74.6Confident84.8Confident1 Ų151.1 Ų51.11%0.00727%0.267CS..Hα-helixtrans-62.9-48178.7179.50000113.3E280 E446 L447 L448 K452 E453 K454E280-S450 WeakPolarHBondContact OE1-CB 3.49Å; E280-S450 PolarHBondContact OE1-OG 2.88Å; E280-S450 WeakPolarHBondContact OE2-CB 3.06Å; E280-S450 PolarHBondContact OE2-OG 3.36Å; E446-S450 WeakPolarHBondContact O-CB 3.49Å; E446-S450 PolarHBondContact O-N 2.78Å; L447-S450 WeakPolarHBondContact O-CB 3.39Å; L447-S450 PolarHBondContact O-N 3.32Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 3.28Å; S450-K452 VanDerWaalsContact C-N 3.28Å; S450-K452 PolarHBondContact O-N 3.07Å; S450-E453 PolarHBondContact O-N 2.68Å; S450-K454 WeakPolarHBondContact O-CB 3.36Å; S450-K454 WeakPolarHBondContact O-CG 3.28Å; S450-K454 PolarHBondContact O-N 3.05Å; S450-K454 VanDerWaalsContact OG-CE 3.31Å; S450-K454 WeakPolarHBondContact OG-CE 3.4Å; S450-K454 PolarHBondContact OG-NZ 3.34Å
451F83.7Confident85.2Confident45 Ų4551.5 Ų51.520%0.19728%0.275CS..Hα-helixtrans-61.1-41179.6-90.4-134.1000111.1L447 L448 K454 N455 V456 F458 F558L447-F451 HydrophobicContact CD1-CD2 4Å; L447-F451 HydrophobicContact CD1-CE2 3.61Å; L447-F451 HydrophobicContact CD1-CZ 4.39Å; L447-F451 HydrophobicContact CG-CD2 4.27Å; L447-F451 HydrophobicContact CG-CE2 4.17Å; L447-F451 WeakPolarHBondContact O-CB 3.27Å; L447-F451 WeakPolarHBondContact O-CD2 3.48Å; L447-F451 PolarHBondContact O-N 3.11Å; L448-F451 PolarHBondContact O-N 3.5Å; F451-K454 CarbonylContact O-C 3.6Å; F451-K454 PolarHBondContact O-N 3.39Å; F451-N455 PolarHBondContact O-N 2.89Å; F451-V456 CarbonylContact C-O 3.57Å; F451-V456 WeakPolarHBondContact CB-O 3.49Å; F451-V456 HydrophobicContact CD1-CG1 4.15Å; F451-V456 HydrophobicContact CE1-CG1 4.2Å; F451-V456 PolarHBondContact O-N 3.27Å; F451-F458 AromaticContact CD1-CD1 3.93Å; F451-F458 HydrophobicContact CD1-CD1 3.93Å; F451-F458 AromaticContact CD1-CD2 3.95Å; F451-F458 HydrophobicContact CD1-CD2 3.95Å; F451-F458 AromaticContact CD1-CE1 3.85Å; F451-F458 HydrophobicContact CD1-CE1 3.85Å; F451-F458 AromaticContact CD1-CE2 3.83Å; F451-F458 HydrophobicContact CD1-CE2 3.83Å; F451-F458 HydrophobicContact CD1-CG 4.02Å; F451-F458 AromaticContact CD1-CZ 3.81Å; F451-F458 HydrophobicContact CD1-CZ 3.81Å; F451-F458 AromaticContact CE1-CD1 3.5Å; F451-F458 HydrophobicContact CE1-CD1 3.5Å; F451-F458 HydrophobicContact CE1-CD2 4.38Å; F451-F458 AromaticContact CE1-CE1 3.45Å; F451-F458 HydrophobicContact CE1-CE1 3.45Å; F451-F458 VanDerWaalsContact CE1-CE1 3.45Å; F451-F458 HydrophobicContact CE1-CE2 4.29Å; F451-F458 HydrophobicContact CE1-CG 4.03Å; F451-F458 AromaticContact CE1-CZ 3.88Å; F451-F458 HydrophobicContact CE1-CZ 3.88Å; F451-F458 HydrophobicContact CG-CE2 4.25Å; F451-F458 HydrophobicContact CG-CZ 4.2Å; F451-F458 HydrophobicContact CZ-CD1 4.31Å; F451-F458 AromaticContact CZ-CE1 3.89Å; F451-F458 HydrophobicContact CZ-CE1 3.89Å; F451-F458 HydrophobicContact CZ-CZ 4.34Å; F451-F558 HydrophobicContact CB-CE1 3.63Å; F451-F558 HydrophobicContact CB-CZ 3.67Å
452K81.3Confident85.6Confident110 Ų11052 Ų5248%0.47827%0.271SS..Hα-helixtrans-59.6-47.7173.6-172-179.4-175172.10112.5L448 I449 S450 K454 N455 F558L448-K452 WeakPolarHBondContact O-CB 3.26Å; L448-K452 PolarHBondContact O-N 2.93Å; I449-K452 PolarHBondContact O-N 3.31Å; S450-K452 VanDerWaalsContact C-N 3.28Å; S450-K452 PolarHBondContact O-N 3.07Å; K452-K454 VanDerWaalsContact C-N 3.34Å; K452-K454 PolarHBondContact O-N 3.34Å; K452-N455 PolarHBondContact O-N 3.39Å; K452-N455 VanDerWaalsContact O-N 3.12Å; K452-N455 PolarHBondContact O-OD1 2.92Å; K452-F558 HydrophobicContact CB-CB 4.12Å; K452-F558 HydrophobicContact CB-CD1 4.39Å; K452-F558 HydrophobicContact CB-CD2 4.2Å; K452-F558 HydrophobicContact CB-CG 3.99Å; K452-F558 HydrophobicContact CD-CB 3.97Å; K452-F558 HydrophobicContact CG-CB 4.15Å; K452-F558 HydrophobicContact CG-CD2 4.44Å; K452-F558 HydrophobicContact CG-CG 4.4Å
453E73.8Confident86.1Confident96 Ų9651.1 Ų51.145%0.44927%0.265SS..Hα-helixtrans-66.5-35.3178.4-72.3168.3178.800112.9R283 I449 S450 N455R283-E453 IonicContact CZ-OE1 3.89Å; R283-E453 IonicContact CZ-OE2 3.89Å; R283-E453 IonicContact NH1-OE1 2.9Å; R283-E453 IonicContact NH1-OE2 3.57Å; R283-E453 PolarHBondContact NH1-OE2 3.43Å; R283-E453 IonicContact NH2-OE1 3.87Å; R283-E453 PolarHBondContact NH2-OE1 2.84Å; R283-E453 IonicContact NH2-OE2 3.59Å; R283-E453 PolarHBondContact NH2-OE2 3.45Å; I449-E453 WeakPolarHBondContact CG2-OE1 3.23Å; I449-E453 WeakPolarHBondContact O-CG 3.43Å; I449-E453 PolarHBondContact O-N 2.87Å; S450-E453 PolarHBondContact O-N 2.68Å; E453-N455 PolarHBondContact O-N 3.07Å
454K71.7Confident86.3Confident89 Ų8951.1 Ų51.139%0.38726%0.264SS..THydrogen-bonded Turntrans-75.9-5174.8-68.6170179.3170.10112.4I278 E280 S450 F451 K452 V456I278-K454 PolarHBondContact O-NZ 3.39Å; E280-K454 IonicContact OE1-NZ 3.17Å; E280-K454 PolarHBondContact OE1-NZ 2.63Å; S450-K454 WeakPolarHBondContact O-CB 3.36Å; S450-K454 WeakPolarHBondContact O-CG 3.28Å; S450-K454 PolarHBondContact O-N 3.05Å; S450-K454 VanDerWaalsContact OG-CE 3.31Å; S450-K454 WeakPolarHBondContact OG-CE 3.4Å; S450-K454 PolarHBondContact OG-NZ 3.34Å; F451-K454 CarbonylContact O-C 3.6Å; F451-K454 PolarHBondContact O-N 3.39Å; K452-K454 VanDerWaalsContact C-N 3.34Å; K452-K454 PolarHBondContact O-N 3.34Å; K454-V456 HydrophobicContact CB-CB 4.41Å; K454-V456 HydrophobicContact CB-CG2 4Å; K454-V456 PolarHBondContact O-N 3.14Å
455N78.6Confident86.3Confident140 Ų14053.6 Ų53.675%0.74928%0.277SS*.THydrogen-bonded Turntrans51.534.9-170.3-67-55.2000113.1F451 K452 E453F451-N455 PolarHBondContact O-N 2.89Å; K452-N455 PolarHBondContact O-N 3.39Å; K452-N455 VanDerWaalsContact O-N 3.12Å; K452-N455 PolarHBondContact O-OD1 2.92Å; E453-N455 PolarHBondContact O-N 3.07Å
456V82.7Confident86.6Confident70 Ų7052.5 Ų52.542%0.42427%0.27SS..  trans-106.5128.1177.8175.40000108.7F451 K454 F558F451-V456 CarbonylContact C-O 3.57Å; F451-V456 WeakPolarHBondContact CB-O 3.49Å; F451-V456 HydrophobicContact CD1-CG1 4.15Å; F451-V456 HydrophobicContact CE1-CG1 4.2Å; F451-V456 PolarHBondContact O-N 3.27Å; K454-V456 HydrophobicContact CB-CB 4.41Å; K454-V456 HydrophobicContact CB-CG2 4Å; K454-V456 PolarHBondContact O-N 3.14Å; V456-F558 WeakPolarHBondContact O-CZ 3.24Å
457H88.5Confident87.2Confident83 Ų8349.1 Ų49.138%0.38426%0.255SS..PPolyproline II helixtrans-93.2149.8174.5-68.474.3000110.7F558H457-F558 AromaticContact CD2-CE2 3.64Å; H457-F558 AromaticContact NE2-CE2 3.88Å
458F90.5Very high87.6Confident2 Ų248.4 Ų48.41%0.00925%0.251CS..PPolyproline II helixtrans-64.4137.6169.4-74.6-76.5000110.3L447 L448 F451 H462 I463 I466 M555 F558 Y590L447-F458 HydrophobicContact CD2-CE1 3.87Å; L447-F458 HydrophobicContact CD2-CZ 3.62Å; L447-F458 HydrophobicContact CG-CE1 4.35Å; L447-F458 HydrophobicContact CG-CZ 3.8Å; L448-F458 HydrophobicContact CD2-CD2 4.37Å; L448-F458 HydrophobicContact CD2-CE2 3.66Å; F451-F458 AromaticContact CD1-CD1 3.93Å; F451-F458 HydrophobicContact CD1-CD1 3.93Å; F451-F458 AromaticContact CD1-CD2 3.95Å; F451-F458 HydrophobicContact CD1-CD2 3.95Å; F451-F458 AromaticContact CD1-CE1 3.85Å; F451-F458 HydrophobicContact CD1-CE1 3.85Å; F451-F458 AromaticContact CD1-CE2 3.83Å; F451-F458 HydrophobicContact CD1-CE2 3.83Å; F451-F458 HydrophobicContact CD1-CG 4.02Å; F451-F458 AromaticContact CD1-CZ 3.81Å; F451-F458 HydrophobicContact CD1-CZ 3.81Å; F451-F458 AromaticContact CE1-CD1 3.5Å; F451-F458 HydrophobicContact CE1-CD1 3.5Å; F451-F458 HydrophobicContact CE1-CD2 4.38Å; F451-F458 AromaticContact CE1-CE1 3.45Å; F451-F458 HydrophobicContact CE1-CE1 3.45Å; F451-F458 VanDerWaalsContact CE1-CE1 3.45Å; F451-F458 HydrophobicContact CE1-CE2 4.29Å; F451-F458 HydrophobicContact CE1-CG 4.03Å; F451-F458 AromaticContact CE1-CZ 3.88Å; F451-F458 HydrophobicContact CE1-CZ 3.88Å; F451-F458 HydrophobicContact CG-CE2 4.25Å; F451-F458 HydrophobicContact CG-CZ 4.2Å; F451-F458 HydrophobicContact CZ-CD1 4.31Å; F451-F458 AromaticContact CZ-CE1 3.89Å; F451-F458 HydrophobicContact CZ-CE1 3.89Å; F451-F458 HydrophobicContact CZ-CZ 4.34Å; F458-H462 HydrophobicContact CD1-CB 4.39Å; F458-H462 AromaticContact CD1-CD2 3.16Å; F458-H462 WeakPolarHBondContact CD1-CD2 3.39Å; F458-H462 AromaticContact CD1-NE2 3.9Å; F458-H462 AromaticContact CE1-CD2 3.3Å; F458-H462 WeakPolarHBondContact CE1-CD2 3.46Å; F458-H462 AromaticContact CE1-NE2 3.55Å; F458-I463 HydrophobicContact CB-CD1 3.94Å; F458-I463 HydrophobicContact CB-CG1 3.55Å; F458-I463 HydrophobicContact CG-CG1 4.34Å; F458-I466 HydrophobicContact CE1-CD1 4.42Å; F458-M555 WeakPolarHBondContact CD2-O 3.15Å; F458-F558 AromaticContact CD2-CE1 3.96Å; F458-F558 HydrophobicContact CD2-CE1 3.96Å; F458-F558 HydrophobicContact CD2-CZ 4.32Å; F458-F558 AromaticContact CE2-CE1 3.96Å; F458-F558 HydrophobicContact CE2-CE1 3.96Å; F458-Y590 WeakPolarHBondContact O-CE1 3.25Å; F458-Y590 PolarHBondContact O-OH 3.43Å
459S92.6Very high87.9Confident70 Ų7049.6 Ų49.649%0.4926%0.256SS..PPolyproline II helixtrans-67.3146.5163.766.70000109.2S461 H462 I463S459-S461 PolarHBondContact O-N 3.5Å; S459-H462 PolarHBondContact O-N 3.31Å; S459-H462 WeakPolarHBondContact OG-CB 3.25Å; S459-H462 PolarHBondContact OG-N 3.15Å; S459-I463 PolarHBondContact O-N 2.86Å
460E93.6Very high88.6Confident48 Ų4845.9 Ų45.922%0.22424%0.237CC..Hα-helixtrans-57-39.4179.5-175.3168.9160.900112.1H462 I463 W464 Y590 S591 V594E460-H462 VanDerWaalsContact C-N 3.29Å; E460-H462 PolarHBondContact O-N 2.98Å; E460-I463 WeakPolarHBondContact O-CB 3.44Å; E460-I463 PolarHBondContact O-N 3.41Å; E460-I463 VanDerWaalsContact O-N 3.16Å; E460-W464 PolarHBondContact O-N 2.88Å; E460-W464 PolarHBondContact OE1-NE1 2.71Å; E460-Y590 HydrophobicContact CB-CD1 4.11Å; E460-S591 VanDerWaalsContact OE1-CB 3.22Å; E460-S591 WeakPolarHBondContact OE1-CB 3.35Å; E460-S591 PolarHBondContact OE1-OG 3.34Å; E460-S591 WeakPolarHBondContact OE2-CB 3.46Å; E460-S591 PolarHBondContact OE2-N 3.19Å; E460-V594 HydrophobicContact CG-CG2 4.45Å
461S91.1Very high89.7Confident78 Ų7846 Ų4655%0.54524%0.238SC..Hα-helixtrans-57.3-40.5173.9178.70000112.7S459 W464 D465S459-S461 PolarHBondContact O-N 3.5Å; S461-W464 PolarHBondContact O-N 3.31Å; S461-D465 VanDerWaalsContact O-CG 3.22Å; S461-D465 PolarHBondContact O-N 2.86Å
462H92.2Very high90.3Very high34 Ų3446.6 Ų46.616%0.15724%0.243CC..Hα-helixtrans-72.1-34.9178.8-168.185.8000112F458 S459 E460 W464 D465 I466F458-H462 HydrophobicContact CD1-CB 4.39Å; F458-H462 AromaticContact CD1-CD2 3.16Å; F458-H462 WeakPolarHBondContact CD1-CD2 3.39Å; F458-H462 AromaticContact CD1-NE2 3.9Å; F458-H462 AromaticContact CE1-CD2 3.3Å; F458-H462 WeakPolarHBondContact CE1-CD2 3.46Å; F458-H462 AromaticContact CE1-NE2 3.55Å; S459-H462 PolarHBondContact O-N 3.31Å; S459-H462 WeakPolarHBondContact OG-CB 3.25Å; S459-H462 PolarHBondContact OG-N 3.15Å; E460-H462 VanDerWaalsContact C-N 3.29Å; E460-H462 PolarHBondContact O-N 2.98Å; H462-W464 VanDerWaalsContact C-N 3.34Å; H462-D465 PolarHBondContact O-N 3.39Å; H462-I466 WeakPolarHBondContact NE2-CD1 3.48Å; H462-I466 WeakPolarHBondContact O-CG1 3.2Å; H462-I466 PolarHBondContact O-N 3.4Å; H462-I466 VanDerWaalsContact O-N 3.11Å
463I95.6Very high90.9Very high1 Ų141.3 Ų41.31%0.00522%0.22CC..Hα-helixtrans-59.3-48.4172-64-179.5000109.5F458 S459 E460 I466 F467 L552 M555 Y590F458-I463 HydrophobicContact CB-CD1 3.94Å; F458-I463 HydrophobicContact CB-CG1 3.55Å; F458-I463 HydrophobicContact CG-CG1 4.34Å; S459-I463 PolarHBondContact O-N 2.86Å; E460-I463 WeakPolarHBondContact O-CB 3.44Å; E460-I463 PolarHBondContact O-N 3.41Å; E460-I463 VanDerWaalsContact O-N 3.16Å; I463-I466 PolarHBondContact O-N 3.06Å; I463-F467 VanDerWaalsContact O-CB 3.22Å; I463-F467 WeakPolarHBondContact O-CB 3.49Å; I463-F467 PolarHBondContact O-N 3.3Å; I463-L552 HydrophobicContact CG2-CD1 3.43Å; I463-L552 VanDerWaalsContact CG2-CD1 3.43Å; I463-M555 HydrophobicContact CG1-CB 4.48Å; I463-M555 HydrophobicContact CG2-CE 4Å; I463-Y590 HydrophobicContact CD1-CD1 4.03Å; I463-Y590 HydrophobicContact CD1-CE1 3.37Å
464W95Very high91.9Very high11 Ų1136.8 Ų36.84%0.04220%0.198CC..Hα-helixtrans-65.7-38178.7-63.6140.8000113.2E460 S461 H462 I466 F467 I468 L552 L593 V594 I597 L619E460-W464 PolarHBondContact O-N 2.88Å; E460-W464 PolarHBondContact OE1-NE1 2.71Å; S461-W464 PolarHBondContact O-N 3.31Å; H462-W464 VanDerWaalsContact C-N 3.34Å; W464-I466 VanDerWaalsContact C-N 3.31Å; W464-I466 PolarHBondContact O-N 3.24Å; W464-F467 HydrophobicContact CE3-CB 4.11Å; W464-F467 HydrophobicContact CE3-CD1 4Å; W464-F467 HydrophobicContact CE3-CG 4.32Å; W464-F467 AromaticContact CZ3-CD1 3.85Å; W464-F467 HydrophobicContact CZ3-CD1 3.85Å; W464-F467 HydrophobicContact CZ3-CE1 4.32Å; W464-F467 HydrophobicContact CZ3-CG 4.31Å; W464-F467 PolarHBondContact O-N 2.92Å; W464-I468 HydrophobicContact CB-CD1 4.39Å; W464-I468 VanDerWaalsContact O-CB 3.28Å; W464-I468 WeakPolarHBondContact O-CB 3.34Å; W464-I468 VanDerWaalsContact O-CG1 3.26Å; W464-I468 WeakPolarHBondContact O-CG1 3.49Å; W464-I468 PolarHBondContact O-N 2.73Å; W464-L552 HydrophobicContact CH2-CD1 4.45Å; W464-L552 HydrophobicContact CH2-CD2 4.29Å; W464-L552 HydrophobicContact CZ3-CD1 3.97Å; W464-L552 HydrophobicContact CZ3-CD2 4.06Å; W464-L593 HydrophobicContact CZ2-CB 4.38Å; W464-L593 HydrophobicContact CZ2-CD2 4.19Å; W464-L593 HydrophobicContact CZ2-CG 4.17Å; W464-V594 HydrophobicContact CH2-CB 4.37Å; W464-V594 HydrophobicContact CH2-CG2 3.72Å; W464-V594 HydrophobicContact CZ2-CB 4.35Å; W464-V594 HydrophobicContact CZ2-CG2 3.35Å; W464-I597 HydrophobicContact CH2-CD1 3.74Å; W464-I597 HydrophobicContact CZ3-CD1 3.96Å; W464-L619 HydrophobicContact CD2-CD2 3.9Å; W464-L619 HydrophobicContact CE3-CD1 3.84Å; W464-L619 HydrophobicContact CE3-CD2 3.83Å; W464-L619 HydrophobicContact CG-CD2 4.49Å; W464-L619 HydrophobicContact CH2-CD2 4.28Å; W464-L619 HydrophobicContact CZ2-CD2 4.3Å; W464-L619 HydrophobicContact CZ3-CD1 3.96Å; W464-L619 HydrophobicContact CZ3-CD2 4.05Å
465D92.7Very high93.1Very high51 Ų5137.7 Ų37.727%0.27320%0.199SC..Hα-helixtrans-58.2-41.6173.7-73.8-13.9000112.5S461 H462 Q469 Q626S461-D465 VanDerWaalsContact O-CG 3.22Å; S461-D465 PolarHBondContact O-N 2.86Å; H462-D465 PolarHBondContact O-N 3.39Å; D465-Q469 WeakPolarHBondContact O-CG 3.31Å; D465-Q469 PolarHBondContact O-NE2 3.29Å; D465-Q626 PolarHBondContact OD1-NE2 2.78Å
466I95.8Very high93.7Very high0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-71.3-48.9175.5-66.6171.3000110.3L444 F458 H462 I463 W464 I468 Q469 L470 I495 V501 M555L444-I466 HydrophobicContact CD1-CD1 4.44Å; F458-I466 HydrophobicContact CE1-CD1 4.42Å; H462-I466 WeakPolarHBondContact NE2-CD1 3.48Å; H462-I466 WeakPolarHBondContact O-CG1 3.2Å; H462-I466 PolarHBondContact O-N 3.4Å; H462-I466 VanDerWaalsContact O-N 3.11Å; I463-I466 PolarHBondContact O-N 3.06Å; W464-I466 VanDerWaalsContact C-N 3.31Å; W464-I466 PolarHBondContact O-N 3.24Å; I466-I468 PolarHBondContact O-N 3.46Å; I466-Q469 PolarHBondContact O-N 3.17Å; I466-L470 HydrophobicContact CG2-CD1 4.19Å; I466-L470 HydrophobicContact CG2-CG 4.49Å; I466-L470 WeakPolarHBondContact O-CG 3.17Å; I466-L470 PolarHBondContact O-N 3.45Å; I466-L470 VanDerWaalsContact O-N 3.07Å; I466-I495 HydrophobicContact CD1-CD1 3.83Å; I466-I495 HydrophobicContact CG1-CD1 4.46Å; I466-V501 HydrophobicContact CB-CG2 4.18Å; I466-V501 HydrophobicContact CG1-CG2 4.04Å; I466-V501 HydrophobicContact CG2-CG2 3.99Å; I466-M555 HydrophobicContact CB-SD 4.1Å; I466-M555 HydrophobicContact CD1-SD 4.24Å; I466-M555 HydrophobicContact CG2-CE 4.34Å; I466-M555 HydrophobicContact CG2-SD 3.69Å
467F97.5Very high94.1Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-65-40.9-172.7-166-106.5000112.6I463 W464 Q469 L470 I471 L548 L552 M555 I597 V615 L619I463-F467 VanDerWaalsContact O-CB 3.22Å; I463-F467 WeakPolarHBondContact O-CB 3.49Å; I463-F467 PolarHBondContact O-N 3.3Å; W464-F467 HydrophobicContact CE3-CB 4.11Å; W464-F467 HydrophobicContact CE3-CD1 4Å; W464-F467 HydrophobicContact CE3-CG 4.32Å; W464-F467 AromaticContact CZ3-CD1 3.85Å; W464-F467 HydrophobicContact CZ3-CD1 3.85Å; W464-F467 HydrophobicContact CZ3-CE1 4.32Å; W464-F467 HydrophobicContact CZ3-CG 4.31Å; W464-F467 PolarHBondContact O-N 2.92Å; F467-Q469 VanDerWaalsContact C-N 3.33Å; F467-Q469 PolarHBondContact O-N 3.28Å; F467-L470 WeakPolarHBondContact O-CB 3.27Å; F467-L470 PolarHBondContact O-N 2.97Å; F467-I471 HydrophobicContact CD1-CD1 3.65Å; F467-I471 HydrophobicContact CD1-CG1 4.27Å; F467-I471 HydrophobicContact CE1-CD1 3.59Å; F467-I471 HydrophobicContact CE1-CG1 4.16Å; F467-I471 WeakPolarHBondContact O-CG1 3.45Å; F467-I471 PolarHBondContact O-N 2.78Å; F467-L548 HydrophobicContact CD2-CD1 4.04Å; F467-L548 HydrophobicContact CD2-CG 4.49Å; F467-L548 HydrophobicContact CE2-CD1 3.55Å; F467-L548 HydrophobicContact CE2-CD2 4.14Å; F467-L548 HydrophobicContact CE2-CG 3.54Å; F467-L548 HydrophobicContact CZ-CD1 4.24Å; F467-L548 HydrophobicContact CZ-CD2 3.97Å; F467-L548 HydrophobicContact CZ-CG 3.84Å; F467-L552 HydrophobicContact CD2-CB 4.01Å; F467-L552 HydrophobicContact CD2-CD1 4.01Å; F467-L552 HydrophobicContact CD2-CD2 4.33Å; F467-L552 HydrophobicContact CD2-CG 4.33Å; F467-L552 HydrophobicContact CE1-CD2 4.19Å; F467-L552 HydrophobicContact CE2-CB 3.63Å; F467-L552 HydrophobicContact CE2-CD1 4.32Å; F467-L552 HydrophobicContact CE2-CD2 3.87Å; F467-L552 HydrophobicContact CE2-CG 4.15Å; F467-L552 HydrophobicContact CG-CD1 4.31Å; F467-L552 HydrophobicContact CZ-CB 4.35Å; F467-L552 HydrophobicContact CZ-CD2 3.79Å; F467-M555 HydrophobicContact CB-CE 4.31Å; F467-M555 HydrophobicContact CD2-CE 4.12Å; F467-I597 HydrophobicContact CE1-CG2 3.86Å; F467-I597 HydrophobicContact CZ-CG2 3.87Å; F467-V615 HydrophobicContact CE1-CG1 4.09Å; F467-V615 HydrophobicContact CZ-CG1 4.22Å; F467-L619 HydrophobicContact CD1-CD1 3.55Å; F467-L619 HydrophobicContact CE1-CD1 3.89Å
468I95.8Very high94.2Very high2 Ų224.4 Ų24.41%0.0113%0.128CC..Hα-helixtrans-61.8-42175.4-72.2165.9000110.8W464 I466 L470 I471 L472 L619 D622 I623W464-I468 HydrophobicContact CB-CD1 4.39Å; W464-I468 VanDerWaalsContact O-CB 3.28Å; W464-I468 WeakPolarHBondContact O-CB 3.34Å; W464-I468 VanDerWaalsContact O-CG1 3.26Å; W464-I468 WeakPolarHBondContact O-CG1 3.49Å; W464-I468 PolarHBondContact O-N 2.73Å; I466-I468 PolarHBondContact O-N 3.46Å; I468-L470 VanDerWaalsContact C-N 3.32Å; I468-L470 PolarHBondContact O-N 3.48Å; I468-I471 WeakPolarHBondContact O-CB 3.33Å; I468-I471 PolarHBondContact O-N 3.39Å; I468-L472 HydrophobicContact CG2-CD1 4.26Å; I468-L472 HydrophobicContact CG2-CG 4.46Å; I468-L472 WeakPolarHBondContact O-CG 3.36Å; I468-L472 PolarHBondContact O-N 2.91Å; I468-L619 HydrophobicContact CG1-CD1 4.25Å; I468-D622 HydrophobicContact CD1-CB 3.75Å; I468-I623 HydrophobicContact CD1-CG1 4.16Å; I468-I623 HydrophobicContact CG1-CG1 4.05Å; I468-I623 HydrophobicContact CG2-CG1 3.92Å
469Q96.6Very high94.3Very high33 Ų3327.1 Ų27.115%0.15414%0.14CC..Hα-helixtrans-64.5-35.9176.2-74.2-178.179.600112.7N418 D465 I466 F467 L472 G473 N499 V501N418-Q469 WeakPolarHBondContact CB-O 3.5Å; N418-Q469 WeakPolarHBondContact ND2-CB 3.4Å; N418-Q469 PolarHBondContact ND2-OE1 2.89Å; N418-Q469 VanDerWaalsContact ND2-OE1 3.14Å; D465-Q469 WeakPolarHBondContact O-CG 3.31Å; D465-Q469 PolarHBondContact O-NE2 3.29Å; I466-Q469 PolarHBondContact O-N 3.17Å; F467-Q469 VanDerWaalsContact C-N 3.33Å; F467-Q469 PolarHBondContact O-N 3.28Å; Q469-L472 PolarHBondContact O-N 2.91Å; Q469-G473 PolarHBondContact O-N 2.84Å; Q469-N499 PolarHBondContact NE2-O 3.17Å; Q469-V501 HydrophobicContact CB-CB 3.78Å; Q469-V501 HydrophobicContact CB-CG1 4.44Å; Q469-V501 HydrophobicContact CB-CG2 4.17Å; Q469-V501 HydrophobicContact CG-CB 4.5Å
470L97.7Very high94.1Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-64.6-43.7171.6-64.9174.8000111.5I466 F467 I468 L472 G473 L474 I493 V501 I503 L548 I551I466-L470 HydrophobicContact CG2-CD1 4.19Å; I466-L470 HydrophobicContact CG2-CG 4.49Å; I466-L470 WeakPolarHBondContact O-CG 3.17Å; I466-L470 PolarHBondContact O-N 3.45Å; I466-L470 VanDerWaalsContact O-N 3.07Å; F467-L470 WeakPolarHBondContact O-CB 3.27Å; F467-L470 PolarHBondContact O-N 2.97Å; I468-L470 VanDerWaalsContact C-N 3.32Å; I468-L470 PolarHBondContact O-N 3.48Å; L470-L472 VanDerWaalsContact C-N 3.34Å; L470-L472 PolarHBondContact O-N 2.8Å; L470-G473 PolarHBondContact O-N 3.36Å; L470-L474 WeakPolarHBondContact O-CB 3.29Å; L470-L474 WeakPolarHBondContact O-CG 3.06Å; L470-L474 PolarHBondContact O-N 2.85Å; L470-I493 HydrophobicContact CD1-CD1 3.79Å; L470-I493 HydrophobicContact CD2-CD1 3.64Å; L470-I493 HydrophobicContact CD2-CG1 3.81Å; L470-I493 HydrophobicContact CD2-CG2 3.99Å; L470-I493 HydrophobicContact CG-CD1 4.39Å; L470-V501 HydrophobicContact CD2-CG1 3.65Å; L470-V501 HydrophobicContact CG-CG1 4.14Å; L470-I503 HydrophobicContact CD2-CD1 4.01Å; L470-I503 HydrophobicContact CD2-CG1 3.71Å; L470-L548 HydrophobicContact CB-CD1 3.89Å; L470-L548 HydrophobicContact CD1-CD1 4.03Å; L470-I551 HydrophobicContact CD1-CG2 4.15Å
471I97.2Very high93.7Very high3 Ų329.5 Ų29.52%0.01514%0.142CC..Hα-helixtrans-57.4-47.2175-71.1169.4000110.8F467 I468 G473 L474 R475 L548 I612 V615 A616 L619F467-I471 HydrophobicContact CD1-CD1 3.65Å; F467-I471 HydrophobicContact CD1-CG1 4.27Å; F467-I471 HydrophobicContact CE1-CD1 3.59Å; F467-I471 HydrophobicContact CE1-CG1 4.16Å; F467-I471 WeakPolarHBondContact O-CG1 3.45Å; F467-I471 PolarHBondContact O-N 2.78Å; I468-I471 WeakPolarHBondContact O-CB 3.33Å; I468-I471 PolarHBondContact O-N 3.39Å; I471-G473 PolarHBondContact O-N 3.3Å; I471-L474 PolarHBondContact O-N 2.84Å; I471-R475 WeakPolarHBondContact O-CB 3.49Å; I471-R475 PolarHBondContact O-N 2.97Å; I471-L548 HydrophobicContact CG1-CD2 4.38Å; I471-I612 HydrophobicContact CB-CD1 4.41Å; I471-I612 HydrophobicContact CG1-CD1 4.19Å; I471-I612 HydrophobicContact CG2-CD1 4.32Å; I471-I612 HydrophobicContact CG2-CG1 4.29Å; I471-V615 HydrophobicContact CD1-CG1 4.1Å; I471-V615 HydrophobicContact CG1-CG1 4.45Å; I471-A616 HydrophobicContact CG2-CB 3.79Å; I471-L619 HydrophobicContact CD1-CD1 3.82Å
472L95.2Very high93.4Very high57 Ų5733.4 Ų33.430%0.29815%0.149SC..Hα-helixtrans-60.8-44.7179-67.8173.7000111.6I468 Q469 L470 Y476I468-L472 HydrophobicContact CG2-CD1 4.26Å; I468-L472 HydrophobicContact CG2-CG 4.46Å; I468-L472 WeakPolarHBondContact O-CG 3.36Å; I468-L472 PolarHBondContact O-N 2.91Å; Q469-L472 PolarHBondContact O-N 2.91Å; L470-L472 VanDerWaalsContact C-N 3.34Å; L470-L472 PolarHBondContact O-N 2.8Å; L472-Y476 PolarHBondContact O-N 3.46Å; L472-Y476 VanDerWaalsContact O-N 3.13Å
473G94.8Very high93Very high0 Ų033.3 Ų33.30%015%0.15CC..Hα-helixtrans-61.9-47.8175.600000113.2Q469 L470 I471 Y476 L477Q469-G473 PolarHBondContact O-N 2.84Å; L470-G473 PolarHBondContact O-N 3.36Å; I471-G473 PolarHBondContact O-N 3.3Å; G473-Y476 WeakPolarHBondContact O-CB 3.33Å; G473-Y476 PolarHBondContact O-N 2.91Å; G473-L477 PolarHBondContact O-N 3.15Å; G473-L477 VanDerWaalsContact O-N 3.11Å
474L95.3Very high92.5Very high0 Ų035.2 Ų35.20%016%0.16CC..Hα-helixtrans-68.5-38.7179.5-73.2173.1000112.3L470 I471 Y476 L477 H478 L488 I503 D544 L548 I612L470-L474 WeakPolarHBondContact O-CB 3.29Å; L470-L474 WeakPolarHBondContact O-CG 3.06Å; L470-L474 PolarHBondContact O-N 2.85Å; I471-L474 PolarHBondContact O-N 2.84Å; L474-Y476 VanDerWaalsContact C-N 3.29Å; L474-Y476 PolarHBondContact O-N 3.45Å; L474-L477 HydrophobicContact CD2-CD1 4.45Å; L474-L477 PolarHBondContact O-N 3.5Å; L474-L477 VanDerWaalsContact O-N 3.15Å; L474-H478 WeakPolarHBondContact O-CB 3.41Å; L474-H478 PolarHBondContact O-N 3.36Å; L474-L488 HydrophobicContact CD1-CD2 3.86Å; L474-L488 HydrophobicContact CD2-CD2 4.27Å; L474-I503 HydrophobicContact CD2-CD1 4.4Å; L474-I503 HydrophobicContact CG-CD1 4.14Å; L474-D544 HydrophobicContact CD2-CB 4.39Å; L474-L548 HydrophobicContact CD1-CB 4.26Å; L474-L548 HydrophobicContact CD1-CD1 4.02Å; L474-L548 HydrophobicContact CD1-CD2 3.87Å; L474-L548 HydrophobicContact CD1-CG 4.26Å; L474-I612 HydrophobicContact CB-CD1 3.85Å; L474-I612 HydrophobicContact CB-CG1 3.85Å; L474-I612 HydrophobicContact CD1-CD1 4.13Å
475R95.3Very high92.1Very high108 Ų10834.7 Ų34.741%0.40816%0.158SC..Hα-helixtrans-58.7-43.7174.2-171-164.275.4140.29.6111.2I471 K479 E480 I612I471-R475 WeakPolarHBondContact O-CB 3.49Å; I471-R475 PolarHBondContact O-N 2.97Å; R475-K479 HydrophobicContact CG-CB 4.46Å; R475-K479 HydrophobicContact CG-CG 4.12Å; R475-K479 WeakPolarHBondContact O-CA 3.4Å; R475-K479 VanDerWaalsContact O-CB 3.29Å; R475-K479 WeakPolarHBondContact O-CB 3.32Å; R475-K479 PolarHBondContact O-N 3.41Å; R475-E480 IonicContact NH2-OE1 2.68Å; R475-E480 PolarHBondContact NH2-OE1 3.36Å; R475-I612 HydrophobicContact CB-CG1 4.27Å; R475-I612 HydrophobicContact CB-CG2 4.06Å; R475-I612 HydrophobicContact CG-CG2 4.25Å
476Y92.5Very high91.6Very high13 Ų1335.6 Ų35.65%0.05116%0.157CC..Iπ-helixtrans-59.2-48.1174.6174.8-102.1000111.6Q413 L414 R415 H416 I419 L472 G473 L474 E480 K481Q413-Y476 PolarHBondContact O-OH 3.26Å; L414-Y476 WeakPolarHBondContact CA-OH 3.41Å; L414-Y476 HydrophobicContact CB-CE1 4.45Å; L414-Y476 HydrophobicContact CD2-CE1 3.79Å; R415-Y476 PolarHBondContact N-OH 3.06Å; R415-Y476 PolarHBondContact O-OH 3.07Å; H416-Y476 HydrophobicContact CB-CD1 3.64Å; H416-Y476 HydrophobicContact CB-CD2 4.25Å; H416-Y476 HydrophobicContact CB-CE1 3.73Å; H416-Y476 HydrophobicContact CB-CE2 4.35Å; H416-Y476 HydrophobicContact CB-CG 3.89Å; H416-Y476 AromaticContact CD2-CD2 3.95Å; H416-Y476 AromaticContact CD2-CG 3.82Å; H416-Y476 AromaticContact CG-CG 3.89Å; I419-Y476 HydrophobicContact CG1-CD1 4.05Å; L472-Y476 PolarHBondContact O-N 3.46Å; L472-Y476 VanDerWaalsContact O-N 3.13Å; G473-Y476 WeakPolarHBondContact O-CB 3.33Å; G473-Y476 PolarHBondContact O-N 2.91Å; L474-Y476 VanDerWaalsContact C-N 3.29Å; L474-Y476 PolarHBondContact O-N 3.45Å; Y476-E480 HydrophobicContact CD2-CB 4.2Å; Y476-E480 HydrophobicContact CD2-CG 4.41Å; Y476-E480 VanDerWaalsContact CD2-OE2 3.27Å; Y476-E480 WeakPolarHBondContact CD2-OE2 3.17Å; Y476-E480 WeakPolarHBondContact CE2-OE2 3.28Å; Y476-E480 WeakPolarHBondContact O-CB 3.29Å; Y476-E480 PolarHBondContact O-N 3.09Å; Y476-K481 HydrophobicContact CD1-CG 4.32Å; Y476-K481 HydrophobicContact CE1-CG 3.91Å; Y476-K481 HydrophobicContact CE2-CG 4.34Å; Y476-K481 PolarHBondContact O-N 3.4Å; Y476-K481 VanDerWaalsContact O-N 3.09Å; Y476-K481 WeakPolarHBondContact OH-CE 3.48Å
477L89.9Confident91Very high0 Ų037.2 Ų37.20%017%0.166CC..Iπ-helixtrans-62.3-52.9178.1-70.3176.6000112.3L414 I419 G473 L474 K481 K482 I483L414-L477 HydrophobicContact CD1-CD2 4.08Å; L414-L477 HydrophobicContact CD2-CD2 4.19Å; I419-L477 HydrophobicContact CD1-CD1 3.71Å; I419-L477 HydrophobicContact CD1-CD2 4.28Å; I419-L477 HydrophobicContact CD1-CG 3.82Å; I419-L477 HydrophobicContact CG1-CG 4.47Å; G473-L477 PolarHBondContact O-N 3.15Å; G473-L477 VanDerWaalsContact O-N 3.11Å; L474-L477 HydrophobicContact CD2-CD1 4.45Å; L474-L477 PolarHBondContact O-N 3.5Å; L474-L477 VanDerWaalsContact O-N 3.15Å; L477-K481 CarbonylContact O-C 3.39Å; L477-K481 WeakPolarHBondContact O-CB 3.45Å; L477-K481 PolarHBondContact O-N 3.06Å; L477-K482 PolarHBondContact O-N 3.36Å; L477-I483 CarbonylContact C-O 3.49Å; L477-I483 HydrophobicContact CD2-CB 4.47Å; L477-I483 HydrophobicContact CD2-CG2 4.43Å; L477-I483 PolarHBondContact O-N 3.18Å
478H91.7Very high90.8Very high2 Ų237.4 Ų37.41%0.00917%0.167CC..Iπ-helixtrans-72.3-48.7-174-65.2174000112.7L474 K482 I483 D544 I612L474-H478 WeakPolarHBondContact O-CB 3.41Å; L474-H478 PolarHBondContact O-N 3.36Å; H478-K482 WeakPolarHBondContact O-CA 3.49Å; H478-K482 WeakPolarHBondContact O-CD 3.46Å; H478-K482 PolarHBondContact O-N 3.33Å; H478-I483 PolarHBondContact CD2-O 3.32Å; H478-D544 IonicContact CD2-OD2 3.49Å; H478-D544 IonicContact CE1-OD2 2.8Å; H478-D544 IonicContact NE2-OD2 3.73Å; H478-D544 PolarHBondContact NE2-OD2 3.37Å; H478-I612 HydrophobicContact CB-CG2 4.24Å
479K91.9Very high90.5Very high58 Ų5837.9 Ų37.925%0.25217%0.171SC..Iπ-helixtrans-89.4-44.3-169.7-57.7-51.4-173.1-169.50112.8R475 K482 E541 D611 I612R475-K479 HydrophobicContact CG-CB 4.46Å; R475-K479 HydrophobicContact CG-CG 4.12Å; R475-K479 WeakPolarHBondContact O-CA 3.4Å; R475-K479 VanDerWaalsContact O-CB 3.29Å; R475-K479 WeakPolarHBondContact O-CB 3.32Å; R475-K479 PolarHBondContact O-N 3.41Å; K479-K482 WeakPolarHBondContact O-CE 3.25Å; K479-K482 PolarHBondContact O-NZ 3.44Å; K479-E541 IonicContact NZ-OE1 3.26Å; K479-E541 PolarHBondContact NZ-OE1 2.72Å; K479-E541 IonicContact NZ-OE2 2.69Å; K479-E541 PolarHBondContact NZ-OE2 3.41Å; K479-D611 VanDerWaalsContact CE-OD2 3.26Å; K479-D611 WeakPolarHBondContact CE-OD2 3.49Å; K479-D611 IonicContact NZ-OD2 3.09Å; K479-D611 PolarHBondContact NZ-OD2 3.14Å; K479-I612 HydrophobicContact CG-CG2 4.19Å
480E89.4Confident90.4Very high109 Ų10936.4 Ų36.451%0.50916%0.164SC..Iπ-helixtrans-87.5-34.9-176.6-60178.4-141.500112.6R475 Y476R475-E480 IonicContact NH2-OE1 2.68Å; R475-E480 PolarHBondContact NH2-OE1 3.36Å; Y476-E480 HydrophobicContact CD2-CB 4.2Å; Y476-E480 HydrophobicContact CD2-CG 4.41Å; Y476-E480 VanDerWaalsContact CD2-OE2 3.27Å; Y476-E480 WeakPolarHBondContact CD2-OE2 3.17Å; Y476-E480 WeakPolarHBondContact CE2-OE2 3.28Å; Y476-E480 WeakPolarHBondContact O-CB 3.29Å; Y476-E480 PolarHBondContact O-N 3.09Å
481K85Confident89.9Confident59 Ų5940.8 Ų40.826%0.25719%0.187SC..SBendtrans-106.6-14.4-174.8-59-60.7-175-179.20114.8Q413 L414 Y476 L477 I483Q413-K481 HydrophobicContact CB-CD 4.32Å; Q413-K481 WeakPolarHBondContact O-CE 3.44Å; Q413-K481 PolarHBondContact O-NZ 3.11Å; L414-K481 HydrophobicContact CD2-CB 4.1Å; L414-K481 HydrophobicContact CD2-CD 4.08Å; L414-K481 HydrophobicContact CD2-CG 3.59Å; Y476-K481 HydrophobicContact CD1-CG 4.32Å; Y476-K481 HydrophobicContact CE1-CG 3.91Å; Y476-K481 HydrophobicContact CE2-CG 4.34Å; Y476-K481 PolarHBondContact O-N 3.4Å; Y476-K481 VanDerWaalsContact O-N 3.09Å; Y476-K481 WeakPolarHBondContact OH-CE 3.48Å; L477-K481 CarbonylContact O-C 3.39Å; L477-K481 WeakPolarHBondContact O-CB 3.45Å; L477-K481 PolarHBondContact O-N 3.06Å; K481-I483 HydrophobicContact CB-CB 4.46Å; K481-I483 HydrophobicContact CB-CD1 3.98Å; K481-I483 HydrophobicContact CB-CG1 4.1Å; K481-I483 PolarHBondContact O-N 2.64Å
482K85.3Confident89.7Confident160 Ų16041.4 Ų41.470%0.69619%0.191SC*.  trans56.234.9-176.3-52.4-60.8179.8-170.20112.3L477 H478 K479L477-K482 PolarHBondContact O-N 3.36Å; H478-K482 WeakPolarHBondContact O-CA 3.49Å; H478-K482 WeakPolarHBondContact O-CD 3.46Å; H478-K482 PolarHBondContact O-N 3.33Å; K479-K482 WeakPolarHBondContact O-CE 3.25Å; K479-K482 PolarHBondContact O-NZ 3.44Å
483I83.1Confident89.6Confident33 Ų3338.7 Ų38.717%0.16918%0.176CC..  trans-109.8134-179.9-66.2173.6000109.2L414 L477 H478 K481L414-I483 HydrophobicContact CD1-CD1 4.5Å; L414-I483 HydrophobicContact CD2-CD1 4.02Å; L477-I483 CarbonylContact C-O 3.49Å; L477-I483 HydrophobicContact CD2-CB 4.47Å; L477-I483 HydrophobicContact CD2-CG2 4.43Å; L477-I483 PolarHBondContact O-N 3.18Å; H478-I483 PolarHBondContact CD2-O 3.32Å; K481-I483 HydrophobicContact CB-CB 4.46Å; K481-I483 HydrophobicContact CB-CD1 3.98Å; K481-I483 HydrophobicContact CB-CG1 4.1Å; K481-I483 PolarHBondContact O-N 2.64Å
484L84.4Confident89.6Confident40 Ų4040.4 Ų40.421%0.20919%0.185CC..  trans-94.6142.1170.3-55.9-175.7000110.1R486 E541L484-R486 HydrophobicContact CB-CG 3.77Å; L484-E541 VanDerWaalsContact CD2-CA 3.48Å; L484-E541 HydrophobicContact CD2-CB 3.7Å
485H87Confident89.4Confident0 Ų041.1 Ų41.10%019%0.188CC..  trans-77.2-49176-170.4-47.8000112D487 L488 I503 T504 D505 D544H485-D487 PolarHBondContact CE1-O 3.03Å; H485-D487 PolarHBondContact ND1-N 3.03Å; H485-D487 PolarHBondContact O-N 2.87Å; H485-D487 VanDerWaalsContact O-N 3.09Å; H485-L488 HydrophobicContact CB-CB 4.49Å; H485-L488 PolarHBondContact ND1-N 3.01Å; H485-I503 WeakPolarHBondContact CD2-CG2 3.4Å; H485-I503 WeakPolarHBondContact NE2-CG2 3.14Å; H485-T504 PolarHBondContact NE2-O 3.48Å; H485-D505 PolarHBondContact CE1-O 2.98Å; H485-D505 VanDerWaalsContact CE1-O 3.3Å; H485-D544 WeakPolarHBondContact CB-OD1 3.38Å; H485-D544 PolarHBondContact N-OD2 3.47Å
486R82.9Confident89Confident71 Ų7137 Ų3727%0.26818%0.177SC..SBendtrans66.6-4.3176.2-47.7177.7174.2-178.1-2.7117.6L484 A509 Y539 D544L484-R486 HydrophobicContact CB-CG 3.77Å; R486-A509 HydrophobicContact CB-CB 3.7Å; R486-Y539 HydrophobicContact CG-CE2 4.07Å; R486-D544 PolarHBondContact N-OD1 2.9Å
487D83.3Confident88.2Confident33 Ų3343.1 Ų43.118%0.17621%0.206CC..  trans-143.833.8179-152.632.9000109.8H485 S489 N492 A509 K512H485-D487 PolarHBondContact CE1-O 3.03Å; H485-D487 PolarHBondContact ND1-N 3.03Å; H485-D487 PolarHBondContact O-N 2.87Å; H485-D487 VanDerWaalsContact O-N 3.09Å; D487-S489 PolarHBondContact O-N 3.09Å; D487-N492 PolarHBondContact O-ND2 3.41Å; D487-A509 HydrophobicContact CB-CB 4.36Å; D487-K512 IonicContact OD1-NZ 3.56Å; D487-K512 PolarHBondContact OD1-NZ 2.94Å; D487-K512 IonicContact OD2-NZ 2.8Å; D487-K512 PolarHBondContact OD2-NZ 3.37Å
488L91.6Very high87.6Confident4 Ų446.6 Ų46.62%0.02124%0.241CC..  trans-67.9124.1179-174.271.3000108.9L474 H485 I503 A547 L548 I551L474-L488 HydrophobicContact CD1-CD2 3.86Å; L474-L488 HydrophobicContact CD2-CD2 4.27Å; H485-L488 HydrophobicContact CB-CB 4.49Å; H485-L488 PolarHBondContact ND1-N 3.01Å; L488-I503 HydrophobicContact CD1-CG2 4.01Å; L488-A547 HydrophobicContact CB-CB 3.93Å; L488-A547 HydrophobicContact CD2-CB 4.19Å; L488-A547 HydrophobicContact CG-CB 4.38Å; L488-A547 WeakPolarHBondContact O-CB 3.42Å; L488-L548 HydrophobicContact CD2-CB 4.22Å; L488-I551 HydrophobicContact CD1-CD1 4.46Å; L488-I551 HydrophobicContact CD2-CD1 3.99Å; L488-I551 HydrophobicContact CG-CD1 3.74Å
489S91.1Very high87.3Confident13 Ų1350 Ų509%0.09126%0.26CS..  trans-154.5166.7178.368.40000110D487 N491 N492D487-S489 PolarHBondContact O-N 3.09Å; S489-N491 PolarHBondContact O-N 3.29Å; S489-N491 VanDerWaalsContact O-N 3.16Å; S489-N492 PolarHBondContact O-N 2.86Å
490S93Very high87.3Confident2 Ų250.1 Ų50.11%0.01426%0.26CS..G310 helixtrans-60.6-22.617662.90000114L444 T445 N492 Y528 Q554L444-S490 WeakPolarHBondContact CB-O 3.48Å; L444-S490 PolarHBondContact N-O 3.24Å; T445-S490 PolarHBondContact N-O 3.03Å; T445-S490 WeakPolarHBondContact OG1-CB 3.27Å; T445-S490 PolarHBondContact OG1-O 3.41Å; T445-S490 PolarHBondContact OG1-OG 3.17Å; S490-N492 VanDerWaalsContact C-N 3.31Å; S490-Y528 PolarHBondContact N-OH 3.23Å; S490-Y528 PolarHBondContact OG-OH 2.93Å; S490-Q554 VanDerWaalsContact CB-OE1 3.22Å; S490-Q554 PolarHBondContact OG-OE1 3.14Å
491N89Confident87.6Confident92 Ų9244.9 Ų44.949%0.49224%0.236SC..G310 helixtrans-72.8-27.6175.3-71.5-44000112.3T445 S489 I493T445-N491 WeakPolarHBondContact CB-OD1 3.27Å; T445-N491 WeakPolarHBondContact CG2-OD1 3.43Å; T445-N491 WeakPolarHBondContact OG1-CA 3.42Å; T445-N491 VanDerWaalsContact OG1-CG 3.24Å; T445-N491 PolarHBondContact OG1-N 2.84Å; T445-N491 VanDerWaalsContact OG1-N 3.09Å; T445-N491 PolarHBondContact OG1-OD1 3.4Å; S489-N491 PolarHBondContact O-N 3.29Å; S489-N491 VanDerWaalsContact O-N 3.16Å; N491-I493 VanDerWaalsContact C-N 3.28Å; N491-I493 PolarHBondContact O-N 3.13Å
492N90.9Very high88.1Confident15 Ų1542.1 Ų42.18%0.0822%0.224CC..G310 helixtrans-95.418.5-176.5-69.3-15.2000112.2D487 S489 S490 T504 D505D487-N492 PolarHBondContact O-ND2 3.41Å; S489-N492 PolarHBondContact O-N 2.86Å; S490-N492 VanDerWaalsContact C-N 3.31Å; N492-T504 WeakPolarHBondContact CA-OG1 3.5Å; N492-T504 PolarHBondContact O-N 3.49Å; N492-T504 PolarHBondContact O-OG1 3.24Å; N492-T504 VanDerWaalsContact O-OG1 3.14Å; N492-D505 HydrophobicContact CB-CB 4.48Å
493I94.9Very high88.6Confident0 Ų034.5 Ų34.50%019%0.191CC..EExtended strand (participates in β ladder)trans-123.2114177.9-65.3167.1000107.3S443 L444 L470 N491 V501 I551S443-I493 CarbonylContact C-O 3.58Å; S443-I493 VanDerWaalsContact CA-O 3.29Å; S443-I493 WeakPolarHBondContact CA-O 2.94Å; L444-I493 HydrophobicContact CB-CB 4Å; L444-I493 HydrophobicContact CB-CG2 4.01Å; L444-I493 HydrophobicContact CD2-CB 4.47Å; L444-I493 HydrophobicContact CD2-CD1 4.05Å; L444-I493 HydrophobicContact CD2-CG2 4.33Å; L444-I493 PolarHBondContact N-O 3.02Å; L470-I493 HydrophobicContact CD1-CD1 3.79Å; L470-I493 HydrophobicContact CD2-CD1 3.64Å; L470-I493 HydrophobicContact CD2-CG1 3.81Å; L470-I493 HydrophobicContact CD2-CG2 3.99Å; L470-I493 HydrophobicContact CG-CD1 4.39Å; N491-I493 VanDerWaalsContact C-N 3.28Å; N491-I493 PolarHBondContact O-N 3.13Å; I493-V501 HydrophobicContact CG2-CG1 3.6Å; I493-I551 HydrophobicContact CD1-CD1 3.66Å; I493-I551 HydrophobicContact CD1-CG1 4.38Å; I493-I551 HydrophobicContact CD1-CG2 4.06Å
494M94.1Very high88.8Confident37 Ų3733.6 Ų33.618%0.18219%0.186CC..EExtended strand (participates in β ladder)trans-99.7134.4177.8-64.7-62.2-64.600110.2L439 V501 T502 T504L439-M494 HydrophobicContact CB-CB 4.19Å; L439-M494 HydrophobicContact CB-CE 4.46Å; L439-M494 HydrophobicContact CB-CG 4.35Å; L439-M494 HydrophobicContact CD1-CB 3.7Å; L439-M494 HydrophobicContact CD1-CG 3.74Å; M494-V501 CarbonylContact O-C 3.56Å; M494-V501 WeakPolarHBondContact O-CA 3.23Å; M494-T502 PolarHBondContact N-O 2.97Å; M494-T502 PolarHBondContact O-N 2.99Å; M494-T504 HydrophobicContact CB-CG2 4.42Å; M494-T504 HydrophobicContact CG-CG2 3.64Å
495I92.1Very high88.6Confident14 Ų1433.5 Ų33.57%0.07219%0.186CC..EExtended strand (participates in β ladder)trans-113.8110.9176-57.2175.2000107.3G441 V442 L444 L447 I466 K500 V501G441-I495 VanDerWaalsContact CA-O 3.23Å; G441-I495 WeakPolarHBondContact CA-O 3.21Å; V442-I495 PolarHBondContact N-O 3.44Å; V442-I495 PolarHBondContact O-N 3.36Å; L444-I495 HydrophobicContact CB-CD1 4.21Å; L444-I495 HydrophobicContact CD1-CD1 3.83Å; L447-I495 HydrophobicContact CD2-CD1 3.5Å; L447-I495 VanDerWaalsContact CD2-CD1 3.5Å; I466-I495 HydrophobicContact CD1-CD1 3.83Å; I466-I495 HydrophobicContact CG1-CD1 4.46Å; I495-K500 WeakPolarHBondContact CA-O 3.38Å; I495-V501 HydrophobicContact CG1-CG2 4.39Å
496S86.4Confident87.8Confident23 Ų2333.6 Ų33.616%0.16119%0.187CC..EExtended strand (participates in β ladder)trans-100.8178.7177.967.60000111.8D440 G498 N499 K500D440-S496 WeakPolarHBondContact O-CA 3.45Å; D440-S496 WeakPolarHBondContact O-CB 3.4Å; S496-G498 PolarHBondContact O-N 3.02Å; S496-N499 PolarHBondContact O-N 3.41Å; S496-K500 PolarHBondContact N-O 2.96Å; S496-K500 PolarHBondContact O-N 3.1Å; S496-K500 WeakPolarHBondContact OG-CB 3.49Å; S496-K500 PolarHBondContact OG-O 3.32Å
497E75.6Confident86.6Confident141 Ų14130.5 Ų30.566%0.65918%0.177SC*.G310 helixtrans-48.2139.1175.6-166.9175.2176.600112.1R209R209-E497 IonicContact NH2-OE2 2.78Å
498G77.4Confident85.2Confident73 Ų7329.8 Ų29.875%0.75317%0.173SC*.G310 helixtrans77.120.9-176.200000114.9S496 K500S496-G498 PolarHBondContact O-N 3.02Å; G498-K500 PolarHBondContact O-N 2.97Å
499N84.5Confident83Confident74 Ų7430 Ų3040%0.39618%0.175SC..G310 helixtrans56.927.6-177.4-60.9-19.4000113.3Q469 S496 V501Q469-N499 PolarHBondContact NE2-O 3.17Å; S496-N499 PolarHBondContact O-N 3.41Å; N499-V501 PolarHBondContact O-N 3.39Å
500K91.3Very high80.8Confident59 Ų5934.8 Ų34.826%0.25719%0.192SC..EExtended strand (participates in β ladder)trans-73.1119.8175.4177.6-164.6174.9-154.80108.6P417 E437 I495 S496 G498P417-K500 WeakPolarHBondContact O-CE 3.37Å; E437-K500 IonicContact OE1-NZ 3.71Å; I495-K500 WeakPolarHBondContact CA-O 3.38Å; S496-K500 PolarHBondContact N-O 2.96Å; S496-K500 PolarHBondContact O-N 3.1Å; S496-K500 WeakPolarHBondContact OG-CB 3.49Å; S496-K500 PolarHBondContact OG-O 3.32Å; G498-K500 PolarHBondContact O-N 2.97Å
501V96.5Very high78.6Confident0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-95.5130.5177.6179.50000109.5N418 I466 Q469 L470 I493 M494 I495 N499N418-V501 WeakPolarHBondContact CA-O 3.44Å; N418-V501 WeakPolarHBondContact CB-O 3.23Å; N418-V501 PolarHBondContact ND2-O 2.95Å; I466-V501 HydrophobicContact CB-CG2 4.18Å; I466-V501 HydrophobicContact CG1-CG2 4.04Å; I466-V501 HydrophobicContact CG2-CG2 3.99Å; Q469-V501 HydrophobicContact CB-CB 3.78Å; Q469-V501 HydrophobicContact CB-CG1 4.44Å; Q469-V501 HydrophobicContact CB-CG2 4.17Å; Q469-V501 HydrophobicContact CG-CB 4.5Å; L470-V501 HydrophobicContact CD2-CG1 3.65Å; L470-V501 HydrophobicContact CG-CG1 4.14Å; I493-V501 HydrophobicContact CG2-CG1 3.6Å; M494-V501 CarbonylContact O-C 3.56Å; M494-V501 WeakPolarHBondContact O-CA 3.23Å; I495-V501 HydrophobicContact CG1-CG2 4.39Å; N499-V501 PolarHBondContact O-N 3.39Å
502T96Very high76.4Confident1 Ų134.4 Ų34.41%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-131.7124.6178.2-50.90000110.2V420 L439 M494V420-T502 HydrophobicContact CB-CG2 4Å; V420-T502 VanDerWaalsContact N-CG2 3.34Å; L439-T502 HydrophobicContact CD1-CG2 3.66Å; L439-T502 HydrophobicContact CD2-CG2 3.98Å; M494-T502 PolarHBondContact N-O 2.97Å; M494-T502 PolarHBondContact O-N 2.99Å
503I94.6Very high73.9Confident0 Ų037.3 Ų37.30%020%0.204CC..EExtended strand (participates in β ladder)trans-80.9131.9175.1-55.7172.4000109.1N418 I419 V420 L470 L474 H485 L488N418-I503 PolarHBondContact O-N 3.4Å; I419-I503 HydrophobicContact CD1-CB 4.06Å; I419-I503 HydrophobicContact CD1-CD1 4.11Å; I419-I503 HydrophobicContact CD1-CG1 4.49Å; V420-I503 PolarHBondContact N-O 3.3Å; L470-I503 HydrophobicContact CD2-CD1 4.01Å; L470-I503 HydrophobicContact CD2-CG1 3.71Å; L474-I503 HydrophobicContact CD2-CD1 4.4Å; L474-I503 HydrophobicContact CG-CD1 4.14Å; H485-I503 WeakPolarHBondContact CD2-CG2 3.4Å; H485-I503 WeakPolarHBondContact NE2-CG2 3.14Å; L488-I503 HydrophobicContact CD1-CG2 4.01Å
504T89.1Confident71.2Confident13 Ų1340.3 Ų40.38%0.0822%0.22CC..  trans-120.8169.2-177.5630000111.8V420 L439 H485 N492 M494 F506V420-T504 HydrophobicContact CB-CG2 4.04Å; V420-T504 HydrophobicContact CG1-CG2 4.27Å; V420-T504 HydrophobicContact CG2-CG2 4.39Å; L439-T504 HydrophobicContact CD1-CG2 3.5Å; L439-T504 VanDerWaalsContact CD1-CG2 3.5Å; H485-T504 PolarHBondContact NE2-O 3.48Å; N492-T504 WeakPolarHBondContact CA-OG1 3.5Å; N492-T504 PolarHBondContact O-N 3.49Å; N492-T504 PolarHBondContact O-OG1 3.24Å; N492-T504 VanDerWaalsContact O-OG1 3.14Å; M494-T504 HydrophobicContact CB-CG2 4.42Å; M494-T504 HydrophobicContact CG-CG2 3.64Å; T504-F506 PolarHBondContact O-N 2.91Å
505D78.9Confident68.6Low38 Ų3840.7 Ų40.720%0.20322%0.223CC..  trans61.243.7167.4-87.5-10.7000116.4K380 H485 N492K380-D505 VanDerWaalsContact NZ-CG 3.26Å; K380-D505 IonicContact NZ-OD1 3.77Å; K380-D505 PolarHBondContact NZ-OD1 3.43Å; K380-D505 IonicContact NZ-OD2 2.68Å; K380-D505 PolarHBondContact NZ-OD2 2.84Å; H485-D505 PolarHBondContact CE1-O 2.98Å; H485-D505 VanDerWaalsContact CE1-O 3.3Å; N492-D505 HydrophobicContact CB-CB 4.48Å
506F71.6Confident66.2Low2 Ų243.8 Ų43.81%0.00925%0.246CC..  trans-92.3162.5171.345.9-96.6000113.6I410 L414 I419 V420 Y422 T504 L508I410-F506 HydrophobicContact CD1-CD2 4.34Å; I410-F506 HydrophobicContact CG2-CD2 4.45Å; I410-F506 HydrophobicContact CG2-CE2 3.66Å; L414-F506 HydrophobicContact CD1-CD2 4Å; L414-F506 HydrophobicContact CD1-CE2 3.2Å; L414-F506 HydrophobicContact CD1-CZ 3.56Å; I419-F506 HydrophobicContact CG2-CD1 4.5Å; I419-F506 HydrophobicContact CG2-CE1 3.42Å; I419-F506 VanDerWaalsContact CG2-CE1 3.42Å; I419-F506 HydrophobicContact CG2-CZ 3.39Å; V420-F506 HydrophobicContact CG1-CE1 3.77Å; V420-F506 HydrophobicContact CG1-CZ 4.12Å; Y422-F506 AromaticContact CD2-CE2 3.9Å; Y422-F506 HydrophobicContact CD2-CE2 3.9Å; Y422-F506 AromaticContact CD2-CZ 3.81Å; Y422-F506 HydrophobicContact CD2-CZ 3.81Å; Y422-F506 HydrophobicContact CE2-CD2 4.17Å; Y422-F506 AromaticContact CE2-CE1 3.9Å; Y422-F506 HydrophobicContact CE2-CE1 3.9Å; Y422-F506 AromaticContact CE2-CE2 3.25Å; Y422-F506 HydrophobicContact CE2-CE2 3.25Å; Y422-F506 AromaticContact CE2-CZ 3.15Å; Y422-F506 HydrophobicContact CE2-CZ 3.15Å; Y422-F506 AromaticContact CZ-CE2 3.87Å; T504-F506 PolarHBondContact O-N 2.91Å; F506-L508 VanDerWaalsContact C-N 3.33Å; F506-L508 PolarHBondContact O-N 3.45Å; F506-L508 VanDerWaalsContact O-N 3.12Å
507G56.9Low63.9Low6 Ų649.8 Ų49.86%0.06228%0.276CS..SBendtrans86.2-43.6169.200000115.6E406 A509 Y510E406-G507 VanDerWaalsContact OE1-C 3.24Å; E406-G507 VanDerWaalsContact OE1-CA 3.27Å; E406-G507 WeakPolarHBondContact OE1-CA 3.5Å; G507-A509 PolarHBondContact O-N 2.89Å; G507-Y510 PolarHBondContact O-N 2.9Å
508L53.7Low62.1Low19 Ų1948.6 Ų48.610%0.09927%0.27CS..THydrogen-bonded Turntrans-60.3-17.9179.2-64.5174.9000113.5K380 I403 I434 F506 Y510 H511K380-L508 HydrophobicContact CD-CD1 4.1Å; I403-L508 HydrophobicContact CG2-CD2 4.49Å; I434-L508 HydrophobicContact CD1-CD1 4.25Å; I434-L508 HydrophobicContact CD1-CD2 4.26Å; F506-L508 VanDerWaalsContact C-N 3.33Å; F506-L508 PolarHBondContact O-N 3.45Å; F506-L508 VanDerWaalsContact O-N 3.12Å; L508-Y510 PolarHBondContact O-N 3.02Å; L508-H511 WeakPolarHBondContact O-CB 3.41Å; L508-H511 PolarHBondContact O-N 2.94Å
509A46.2Very low60.3Low7 Ų751.1 Ų51.16%0.05827%0.265CS..Hα-helixtrans-61.1-22.9174.100000113.8R486 D487 G507 H511 K512R486-A509 HydrophobicContact CB-CB 3.7Å; D487-A509 HydrophobicContact CB-CB 4.36Å; G507-A509 PolarHBondContact O-N 2.89Å; A509-H511 PolarHBondContact O-N 3.38Å; A509-K512 VanDerWaalsContact O-CB 3.23Å; A509-K512 WeakPolarHBondContact O-CB 3.4Å; A509-K512 PolarHBondContact O-N 2.98Å
510Y45Very low58Low115 Ų11557.1 Ų57.145%0.45129%0.288SS..Hα-helixtrans-56.4-32.9170.1-172.1-88000111.5G507 L508 T513 L514G507-Y510 PolarHBondContact O-N 2.9Å; L508-Y510 PolarHBondContact O-N 3.02Å; Y510-T513 WeakPolarHBondContact O-CB 3.35Å; Y510-T513 PolarHBondContact O-N 3.22Å; Y510-T513 PolarHBondContact O-OG1 3.43Å; Y510-L514 HydrophobicContact CD1-CD1 4.14Å; Y510-L514 HydrophobicContact CE1-CD1 3.8Å; Y510-L514 HydrophobicContact CE1-CG 4.45Å
511H46.2Very low55.5Low19 Ų1957.6 Ų57.69%0.08830%0.299CS..Hα-helixtrans-77.4-19.1176-69.8-77.3000114.2C399 I403 L508 A509 T513 L514 N515C399-H511 VanDerWaalsContact SG-CE1 3.58Å; I403-H511 WeakPolarHBondContact CG1-NE2 3.12Å; L508-H511 WeakPolarHBondContact O-CB 3.41Å; L508-H511 PolarHBondContact O-N 2.94Å; A509-H511 PolarHBondContact O-N 3.38Å; H511-T513 PolarHBondContact O-N 2.93Å; H511-L514 PolarHBondContact O-N 3.38Å; H511-N515 PolarHBondContact O-N 3.37Å
512K42.7Very low53.2Low66 Ų6661.7 Ų61.729%0.28732%0.324SS..Hα-helixtrans-59.9-36.4166.9-125.4168.2-166.1171.10109.8Y361 D487 A509Y361-K512 VanDerWaalsContact OH-CB 3.29Å; Y361-K512 WeakPolarHBondContact OH-CB 3.23Å; Y361-K512 WeakPolarHBondContact OH-CD 3.43Å; Y361-K512 WeakPolarHBondContact OH-CG 3.48Å; D487-K512 IonicContact OD1-NZ 3.56Å; D487-K512 PolarHBondContact OD1-NZ 2.94Å; D487-K512 IonicContact OD2-NZ 2.8Å; D487-K512 PolarHBondContact OD2-NZ 3.37Å; A509-K512 VanDerWaalsContact O-CB 3.23Å; A509-K512 WeakPolarHBondContact O-CB 3.4Å; A509-K512 PolarHBondContact O-N 2.98Å
513T37.6Very low50.7Low76 Ų7666.8 Ų66.847%0.46636%0.355SS..Hα-helixtrans-74.8-32.7-179.3-30.80000113.6Y510 H511 N515Y510-T513 WeakPolarHBondContact O-CB 3.35Å; Y510-T513 PolarHBondContact O-N 3.22Å; Y510-T513 PolarHBondContact O-OG1 3.43Å; H511-T513 PolarHBondContact O-N 2.93Å; T513-N515 VanDerWaalsContact C-N 3.34Å
514L38.4Very low48.6Very low64 Ų6469 Ų6934%0.33538%0.378SS..Hα-helixtrans-72.2-26.8177.1-87.5159.5000112.9Y510 H511 S516Y510-L514 HydrophobicContact CD1-CD1 4.14Å; Y510-L514 HydrophobicContact CE1-CD1 3.8Å; Y510-L514 HydrophobicContact CE1-CG 4.45Å; H511-L514 PolarHBondContact O-N 3.38Å; L514-S516 VanDerWaalsContact C-N 3.32Å; L514-S516 PolarHBondContact O-N 2.84Å
515N40.9Very low47.4Very low44 Ų4470.8 Ų70.824%0.23539%0.388CS..THydrogen-bonded Turntrans-94.956.9172.2-738.9000110.2H511 T513 N517 E518H511-N515 PolarHBondContact O-N 3.37Å; T513-N515 VanDerWaalsContact C-N 3.34Å; N515-N517 PolarHBondContact O-N 3.32Å; N515-E518 HydrophobicContact CB-CB 4.29Å; N515-E518 PolarHBondContact ND2-OE2 3.42Å; N515-E518 PolarHBondContact O-N 2.9Å
516S40.4Very low47.5Very low79 Ų7970.8 Ų70.855%0.55239%0.388SS*.G310 helixtrans-51-20.8179.552.30000114.5L514L514-S516 VanDerWaalsContact C-N 3.32Å; L514-S516 PolarHBondContact O-N 2.84Å
517N38.1Very low48.2Very low149 Ų14972.3 Ų72.380%0.79740%0.396SS*.G310 helixtrans-80.5-13.6175.4-68.8-12.9000114.8N515N515-N517 PolarHBondContact O-N 3.32Å
518E39Very low49.8Very low116 Ų11673.1 Ų73.154%0.54240%0.398SS..G310 helixtrans-104.99.9-177.4-71.3-177.3151.100114.2N515 K520 S521N515-E518 HydrophobicContact CB-CB 4.29Å; N515-E518 PolarHBondContact ND2-OE2 3.42Å; N515-E518 PolarHBondContact O-N 2.9Å; E518-K520 PolarHBondContact O-N 2.9Å; E518-S521 PolarHBondContact O-N 3.41Å
519I39.3Very low51.6Low126 Ų12672.7 Ų72.765%0.64640%0.397SS*.THydrogen-bonded Turntrans-54.6-15.3166.5-60.8174.2000111.1
520K36.3Very low53.8Low201 Ų20172.3 Ų72.387%0.87439%0.394SS*.THydrogen-bonded Turntrans-78.1-9.6176.9-69.5-172.1176.5-1780116.3E518E518-K520 PolarHBondContact O-N 2.9Å
521S38.4Very low56.1Low69 Ų6967 Ų6748%0.48337%0.373SS..SBendtrans-110.685.1174.269.60000110.2E518E518-S521 PolarHBondContact O-N 3.41Å
522T46.8Very low58.3Low85 Ų8566.2 Ų66.252%0.52137%0.37SS..  177.6132.18526.10000106.6G524 T525T522-G524 PolarHBondContact O-N 3.13Å; T522-T525 PolarHBondContact O-N 3.32Å
523V43.8Very low60.4Low109 Ų10965.9 Ų65.966%0.66137%0.37SS*.Hα-helixtrans-48-30.3179.2175.80000112.8T525 I567V523-T525 PolarHBondContact O-N 2.99Å; V523-I567 HydrophobicContact CG1-CD1 4.22Å; V523-I567 HydrophobicContact CG2-CD1 4.43Å
524G51.2Low62.7Low47 Ų4764 Ų6449%0.48536%0.358SS..Hα-helixtrans-67-28.3-179.900000115.8T522T522-G524 PolarHBondContact O-N 3.13Å
525T62.9Low64.8Low49 Ų4965.7 Ų65.730%0.30136%0.364SS..Hα-helixtrans-80.7-28.2-179.6-55.30000112.3T522 V523 L527 Y528T522-T525 PolarHBondContact O-N 3.32Å; V523-T525 PolarHBondContact O-N 2.99Å; T525-L527 PolarHBondContact O-N 2.86Å; T525-L527 VanDerWaalsContact O-N 3.16Å; T525-Y528 PolarHBondContact O-N 2.98Å
526L81.1Confident66.7Low39 Ų3968.7 Ų68.720%0.20439%0.388CS..Hα-helixtrans-60.1-31.1-178.1-172.970.2000112.2Y528 A529 V534 I567 T570 I574L526-Y528 PolarHBondContact O-N 2.89Å; L526-Y528 VanDerWaalsContact O-N 3.16Å; L526-A529 HydrophobicContact CD1-CB 4.22Å; L526-A529 VanDerWaalsContact O-CB 3.29Å; L526-A529 WeakPolarHBondContact O-CB 3.33Å; L526-A529 PolarHBondContact O-N 3.23Å; L526-V534 HydrophobicContact CD1-CG2 3.8Å; L526-I567 HydrophobicContact CB-CD1 4.27Å; L526-I567 HydrophobicContact CD2-CD1 3.24Å; L526-I567 HydrophobicContact CD2-CG1 3.66Å; L526-I567 HydrophobicContact CG-CD1 4.35Å; L526-T570 HydrophobicContact CD2-CG2 4.19Å; L526-I574 HydrophobicContact CG-CD1 4.22Å; L526-I574 WeakPolarHBondContact O-CD1 3.14Å
527L87.1Confident68.9Low34 Ų3469.2 Ų69.218%0.17838%0.384CS..THydrogen-bonded Turntrans-66.6-17.9-173.5-58.1173.5000114.3T525 L560 F562 T570T525-L527 PolarHBondContact O-N 2.86Å; T525-L527 VanDerWaalsContact O-N 3.16Å; L527-L560 HydrophobicContact CB-CD1 3.65Å; L527-L560 HydrophobicContact CD1-CD1 3.74Å; L527-L560 HydrophobicContact CG-CD1 4.31Å; L527-F562 WeakPolarHBondContact CD2-O 3.41Å; L527-T570 HydrophobicContact CD2-CG2 3.71Å
528Y91.4Very high70.9Confident23 Ų2368.3 Ų68.39%0.0939%0.386CS..THydrogen-bonded Turntrans-104.1-4.4173.3-65.9-86.4000112.9S490 T525 L526 C550 I551 Q554 L560S490-Y528 PolarHBondContact N-OH 3.23Å; S490-Y528 PolarHBondContact OG-OH 2.93Å; T525-Y528 PolarHBondContact O-N 2.98Å; L526-Y528 PolarHBondContact O-N 2.89Å; L526-Y528 VanDerWaalsContact O-N 3.16Å; Y528-C550 HydrophobicContact CD1-CB 3.87Å; Y528-C550 HydrophobicContact CE1-CB 4.23Å; Y528-I551 HydrophobicContact CD1-CG1 4.41Å; Y528-I551 HydrophobicContact CE1-CG1 3.88Å; Y528-Q554 PolarHBondContact OH-NE2 3.47Å; Y528-Q554 PolarHBondContact OH-OE1 3.49Å; Y528-L560 HydrophobicContact CD1-CD2 4.27Å; Y528-L560 HydrophobicContact CE1-CD2 3.61Å; Y528-L560 HydrophobicContact CE2-CD1 3.98Å; Y528-L560 HydrophobicContact CE2-CD2 4.29Å
529A90Very high72.9Confident9 Ų966.1 Ų66.17%0.07437%0.373CS..  trans-70.8136.2-177.500000110.5L526 M533 V534 W546L526-A529 HydrophobicContact CD1-CB 4.22Å; L526-A529 VanDerWaalsContact O-CB 3.29Å; L526-A529 WeakPolarHBondContact O-CB 3.33Å; L526-A529 PolarHBondContact O-N 3.23Å; A529-M533 HydrophobicContact CB-CB 4.35Å; A529-M533 HydrophobicContact CB-CE 4.41Å; A529-V534 HydrophobicContact CB-CG2 4.02Å; A529-W546 PolarHBondContact O-NE1 3.38Å
530C92.4Very high75.1Confident0 Ų061.9 Ų61.90%036%0.36CS..  trans-76.3160.4174.457.30000111.8E532 M533 V534 A543 W546C530-E532 VanDerWaalsContact C-N 3.26Å; C530-E532 HydrophobicContact CB-CG 4.45Å; C530-E532 WeakPolarHBondContact CB-OE2 3.36Å; C530-E532 PolarHBondContact O-N 2.89Å; C530-E532 VanDerWaalsContact SG-CG 3.53Å; C530-E532 PolarHBondContact SG-OE1 2.99Å; C530-M533 WeakPolarHBondContact O-CB 3.39Å; C530-M533 PolarHBondContact O-N 2.55Å; C530-M533 WeakPolarHBondContact SG-CG 3.16Å; C530-M533 PolarHBondContact SG-SD 2.85Å; C530-V534 PolarHBondContact O-N 3.32Å; C530-A543 VanDerWaalsContact SG-CB 3.59Å; C530-W546 HydrophobicContact CB-CB 3.72Å; C530-W546 HydrophobicContact CB-CD2 4.03Å; C530-W546 HydrophobicContact CB-CG 3.57Å
531P94Very high77.7Confident2 Ų255 Ų551%0.01333%0.331CS..Hα-helixtrans-54.6-39.7-178.8-29.638.6000113.8V534 Q535 W546 I574 P604P531-V534 PolarHBondContact O-N 3.4Å; P531-Q535 WeakPolarHBondContact O-CB 3.45Å; P531-Q535 VanDerWaalsContact O-CG 3.3Å; P531-Q535 WeakPolarHBondContact O-CG 3.31Å; P531-Q535 PolarHBondContact O-N 3.23Å; P531-Q535 PolarHBondContact O-NE2 3.43Å; P531-Q535 VanDerWaalsContact O-NE2 3.1Å; P531-W546 HydrophobicContact CG-CE3 4.25Å; P531-W546 HydrophobicContact CG-CH2 3.51Å; P531-W546 HydrophobicContact CG-CZ2 4.01Å; P531-W546 HydrophobicContact CG-CZ3 3.66Å; P531-I574 HydrophobicContact CB-CG2 4.48Å; P531-I574 HydrophobicContact CG-CG2 4.03Å; P531-P604 HydrophobicContact CG-CB 4.33Å
532E92.4Very high80.4Confident4 Ų452.3 Ų52.32%0.01931%0.314CS..Hα-helixtrans-66.6-35.5178.462.1-86-156.100112.1C530 C536 L537 R609C530-E532 VanDerWaalsContact C-N 3.26Å; C530-E532 HydrophobicContact CB-CG 4.45Å; C530-E532 WeakPolarHBondContact CB-OE2 3.36Å; C530-E532 PolarHBondContact O-N 2.89Å; C530-E532 VanDerWaalsContact SG-CG 3.53Å; C530-E532 PolarHBondContact SG-OE1 2.99Å; E532-C536 PolarHBondContact O-N 3.34Å; E532-C536 VanDerWaalsContact O-N 3.12Å; E532-L537 HydrophobicContact CB-CB 4.07Å; E532-L537 PolarHBondContact O-N 2.94Å; E532-R609 IonicContact OE1-CZ 3.89Å; E532-R609 IonicContact OE1-NH1 3.56Å; E532-R609 PolarHBondContact OE1-NH1 3.41Å; E532-R609 IonicContact OE1-NH2 3.8Å; E532-R609 IonicContact OE2-CZ 2.67Å; E532-R609 IonicContact OE2-NH1 3.08Å; E532-R609 IonicContact OE2-NH2 3.23Å; E532-R609 PolarHBondContact OE2-NH2 3.25Å
533M86.2Confident82.5Confident58 Ų5848.5 Ų48.529%0.28629%0.291SS..Hα-helixtrans-68.4-42.5172.7-77.2171.268.200111.8A529 C530 Q535 C536 Y539 A543A529-M533 HydrophobicContact CB-CB 4.35Å; A529-M533 HydrophobicContact CB-CE 4.41Å; C530-M533 WeakPolarHBondContact O-CB 3.39Å; C530-M533 PolarHBondContact O-N 2.55Å; C530-M533 WeakPolarHBondContact SG-CG 3.16Å; C530-M533 PolarHBondContact SG-SD 2.85Å; M533-Q535 VanDerWaalsContact C-N 3.28Å; M533-Q535 PolarHBondContact O-N 3.32Å; M533-C536 PolarHBondContact O-N 3.14Å; M533-C536 VanDerWaalsContact O-N 3.12Å; M533-Y539 HydrophobicContact CG-CD1 3.69Å; M533-Y539 HydrophobicContact CG-CD2 4.46Å; M533-Y539 HydrophobicContact CG-CE1 4.07Å; M533-Y539 HydrophobicContact CG-CG 3.91Å; M533-A543 HydrophobicContact SD-CB 4.19Å
534V85.7Confident84.9Confident38 Ų3843.4 Ų43.423%0.2326%0.26CS..Hα-helixtrans-63.3-37.3177.7177.30000111.2L526 A529 C530 P531 C536 A571 I574 V575L526-V534 HydrophobicContact CD1-CG2 3.8Å; A529-V534 HydrophobicContact CB-CG2 4.02Å; C530-V534 PolarHBondContact O-N 3.32Å; P531-V534 PolarHBondContact O-N 3.4Å; V534-C536 VanDerWaalsContact C-N 3.27Å; V534-C536 PolarHBondContact O-N 3.14Å; V534-A571 HydrophobicContact CG1-CB 3.84Å; V534-I574 HydrophobicContact CG2-CD1 4.2Å; V534-I574 HydrophobicContact CG2-CG2 3.88Å; V534-V575 HydrophobicContact CB-CG2 4.49Å; V534-V575 HydrophobicContact CG1-CG2 4.13Å
535Q83.9Confident87.1Confident99 Ų9941.1 Ų41.146%0.46324%0.237SC..THydrogen-bonded Turntrans-83.83.3177-67.8172.683.500113.6P531 M533 L537 V575P531-Q535 WeakPolarHBondContact O-CB 3.45Å; P531-Q535 VanDerWaalsContact O-CG 3.3Å; P531-Q535 WeakPolarHBondContact O-CG 3.31Å; P531-Q535 PolarHBondContact O-N 3.23Å; P531-Q535 PolarHBondContact O-NE2 3.43Å; P531-Q535 VanDerWaalsContact O-NE2 3.1Å; M533-Q535 VanDerWaalsContact C-N 3.28Å; M533-Q535 PolarHBondContact O-N 3.32Å; Q535-L537 HydrophobicContact CB-CD1 4.04Å; Q535-L537 HydrophobicContact CB-CG 3.96Å; Q535-L537 PolarHBondContact O-N 2.8Å; Q535-V575 HydrophobicContact CG-CG2 3.95Å
536C81.1Confident88.8Confident107 Ų10738.8 Ų38.872%0.72322%0.223SC*.THydrogen-bonded Turntrans56.632.7-178-63.10000113.9E532 M533 V534E532-C536 PolarHBondContact O-N 3.34Å; E532-C536 VanDerWaalsContact O-N 3.12Å; M533-C536 PolarHBondContact O-N 3.14Å; M533-C536 VanDerWaalsContact O-N 3.12Å; V534-C536 VanDerWaalsContact C-N 3.27Å; V534-C536 PolarHBondContact O-N 3.14Å
537L85.2Confident89.5Confident90 Ų9037.2 Ų37.247%0.47122%0.215SC..  trans-87.2158.8173.7-61.9175.2000110.7E532 Q535 Y539E532-L537 HydrophobicContact CB-CB 4.07Å; E532-L537 PolarHBondContact O-N 2.94Å; Q535-L537 HydrophobicContact CB-CD1 4.04Å; Q535-L537 HydrophobicContact CB-CG 3.96Å; Q535-L537 PolarHBondContact O-N 2.8Å; L537-Y539 PolarHBondContact O-N 2.8Å
538P81Confident90Very high129 Ų12935.6 Ų35.684%0.83821%0.207SC*.  trans-57.1135.6170-22.733.8000111
539Y80Confident90.4Very high71 Ų7134.5 Ų34.528%0.27820%0.202SC..  trans-126.9148.4-17960.7-94.4000111.3R486 M533 L537 A543R486-Y539 HydrophobicContact CG-CE2 4.07Å; M533-Y539 HydrophobicContact CG-CD1 3.69Å; M533-Y539 HydrophobicContact CG-CD2 4.46Å; M533-Y539 HydrophobicContact CG-CE1 4.07Å; M533-Y539 HydrophobicContact CG-CG 3.91Å; L537-Y539 PolarHBondContact O-N 2.8Å; Y539-A543 HydrophobicContact CD2-CB 4.04Å; Y539-A543 HydrophobicContact CG-CB 4.49Å
540G87.1Confident90.7Very high36 Ų3634 Ų3437%0.37120%0.199SC..  trans-122.4-150.8-178.800000112.6G542 A543G540-G542 PolarHBondContact O-N 2.96Å; G540-A543 WeakPolarHBondContact O-CB 3.32Å; G540-A543 PolarHBondContact O-N 3.13Å; G540-A543 VanDerWaalsContact O-N 3.14Å
541E91Very high91Very high57 Ų5734 Ų3427%0.26620%0.199SC..THydrogen-bonded Turntrans-61-25.9177.663.2-177.2-156.900113.5K479 L484 A543 D544 I545 D611K479-E541 IonicContact NZ-OE1 3.26Å; K479-E541 PolarHBondContact NZ-OE1 2.72Å; K479-E541 IonicContact NZ-OE2 2.69Å; K479-E541 PolarHBondContact NZ-OE2 3.41Å; L484-E541 VanDerWaalsContact CD2-CA 3.48Å; L484-E541 HydrophobicContact CD2-CB 3.7Å; E541-A543 PolarHBondContact O-N 3.25Å; E541-A543 VanDerWaalsContact O-N 3.13Å; E541-D544 PolarHBondContact O-N 3.1Å; E541-I545 PolarHBondContact O-N 3.37Å; E541-D611 WeakPolarHBondContact OE1-CB 3.18Å
542G93.4Very high91.2Very high12 Ų1234 Ų3412%0.12420%0.198CC..Hα-helixtrans-55.1-28.7173.400000114G540 D544 I545 W546 R609G540-G542 PolarHBondContact O-N 2.96Å; G542-D544 VanDerWaalsContact C-N 3.34Å; G542-D544 PolarHBondContact O-N 3.06Å; G542-I545 WeakPolarHBondContact O-CB 3.45Å; G542-I545 PolarHBondContact O-N 3.05Å; G542-W546 PolarHBondContact O-N 3.4Å; G542-R609 VanDerWaalsContact O-CD 3.25Å; G542-R609 WeakPolarHBondContact O-CD 3.4Å; G542-R609 PolarHBondContact O-NH1 3.26Å
543A92.1Very high91.5Very high5 Ų533.8 Ų33.84%0.04120%0.197CC..Hα-helixtrans-63.7-39.7176.800000112.1C530 M533 Y539 G540 E541 I545 W546 A547C530-A543 VanDerWaalsContact SG-CB 3.59Å; M533-A543 HydrophobicContact SD-CB 4.19Å; Y539-A543 HydrophobicContact CD2-CB 4.04Å; Y539-A543 HydrophobicContact CG-CB 4.49Å; G540-A543 WeakPolarHBondContact O-CB 3.32Å; G540-A543 PolarHBondContact O-N 3.13Å; G540-A543 VanDerWaalsContact O-N 3.14Å; E541-A543 PolarHBondContact O-N 3.25Å; E541-A543 VanDerWaalsContact O-N 3.13Å; A543-I545 VanDerWaalsContact C-N 3.34Å; A543-W546 PolarHBondContact O-N 2.91Å; A543-A547 PolarHBondContact O-N 3.5Å
544D94.2Very high92Very high2 Ų232 Ų321%0.01119%0.189CC..Hα-helixtrans-71.3-32.3175.9-68.7-23.2000111L474 H478 H485 R486 E541 G542 A547 L548L474-D544 HydrophobicContact CD2-CB 4.39Å; H478-D544 IonicContact CD2-OD2 3.49Å; H478-D544 IonicContact CE1-OD2 2.8Å; H478-D544 IonicContact NE2-OD2 3.73Å; H478-D544 PolarHBondContact NE2-OD2 3.37Å; H485-D544 WeakPolarHBondContact CB-OD1 3.38Å; H485-D544 PolarHBondContact N-OD2 3.47Å; R486-D544 PolarHBondContact N-OD1 2.9Å; E541-D544 PolarHBondContact O-N 3.1Å; G542-D544 VanDerWaalsContact C-N 3.34Å; G542-D544 PolarHBondContact O-N 3.06Å; D544-A547 PolarHBondContact O-N 2.85Å; D544-L548 VanDerWaalsContact O-CB 3.3Å; D544-L548 WeakPolarHBondContact O-CB 3.4Å; D544-L548 PolarHBondContact O-N 3.31Å
545I97.9Very high92.5Very high0 Ų030.2 Ų30.20%018%0.178CC..Hα-helixtrans-66.1-40.6175.4-55.2-57000111.4E541 G542 A543 L548 G549 C601 R609 I612 V615E541-I545 PolarHBondContact O-N 3.37Å; G542-I545 WeakPolarHBondContact O-CB 3.45Å; G542-I545 PolarHBondContact O-N 3.05Å; A543-I545 VanDerWaalsContact C-N 3.34Å; I545-L548 WeakPolarHBondContact O-CB 3.43Å; I545-L548 PolarHBondContact O-N 3.27Å; I545-G549 PolarHBondContact O-N 2.69Å; I545-C601 HydrophobicContact CG2-CB 4.17Å; I545-R609 HydrophobicContact CB-CG 4.3Å; I545-R609 HydrophobicContact CG2-CG 3.9Å; I545-I612 HydrophobicContact CD1-CB 3.83Å; I545-I612 HydrophobicContact CD1-CD1 3.77Å; I545-I612 HydrophobicContact CD1-CG1 4.4Å; I545-V615 HydrophobicContact CG2-CG2 3.94Å
546W97.8Very high93.2Very high0 Ų025.5 Ų25.50%016%0.156CC..Hα-helixtrans-60.9-48.6173.4177.4-84.7000111.9A529 C530 P531 G542 A543 L548 G549 C550 F562 I574 C601 L602A529-W546 PolarHBondContact O-NE1 3.38Å; C530-W546 HydrophobicContact CB-CB 3.72Å; C530-W546 HydrophobicContact CB-CD2 4.03Å; C530-W546 HydrophobicContact CB-CG 3.57Å; P531-W546 HydrophobicContact CG-CE3 4.25Å; P531-W546 HydrophobicContact CG-CH2 3.51Å; P531-W546 HydrophobicContact CG-CZ2 4.01Å; P531-W546 HydrophobicContact CG-CZ3 3.66Å; G542-W546 PolarHBondContact O-N 3.4Å; A543-W546 PolarHBondContact O-N 2.91Å; W546-L548 VanDerWaalsContact C-N 3.27Å; W546-L548 PolarHBondContact O-N 3.37Å; W546-G549 PolarHBondContact O-N 2.89Å; W546-G549 VanDerWaalsContact O-N 3.12Å; W546-C550 PolarHBondContact O-N 3.07Å; W546-C550 PolarHBondContact O-SG 2.85Å; W546-C550 VanDerWaalsContact O-SG 3.41Å; W546-F562 AromaticContact CE2-CE2 3.74Å; W546-F562 HydrophobicContact CH2-CE1 4.35Å; W546-F562 AromaticContact CH2-CE2 3.75Å; W546-F562 HydrophobicContact CH2-CE2 3.75Å; W546-F562 AromaticContact CH2-CZ 3.5Å; W546-F562 HydrophobicContact CH2-CZ 3.5Å; W546-F562 AromaticContact CZ2-CD2 3.85Å; W546-F562 HydrophobicContact CZ2-CD2 3.85Å; W546-F562 HydrophobicContact CZ2-CE1 4.31Å; W546-F562 AromaticContact CZ2-CE2 3.09Å; W546-F562 HydrophobicContact CZ2-CE2 3.09Å; W546-F562 AromaticContact CZ2-CZ 3.37Å; W546-F562 HydrophobicContact CZ2-CZ 3.37Å; W546-I574 HydrophobicContact CZ2-CG2 3.87Å; W546-C601 WeakPolarHBondContact CA-O 3.32Å; W546-L602 HydrophobicContact CD2-CD2 3.94Å; W546-L602 HydrophobicContact CE3-CB 4.5Å; W546-L602 HydrophobicContact CE3-CD2 4.17Å; W546-L602 HydrophobicContact CG-CD2 4.32Å; W546-L602 HydrophobicContact CZ3-CB 4.31Å; W546-L602 WeakPolarHBondContact CZ3-O 3.26Å; W546-L602 WeakPolarHBondContact O-CD2 3.48Å
547A96.2Very high93.8Very high5 Ų521.1 Ų21.14%0.04113%0.126CC..Hα-helixtrans-60.5-39.117700000111.5L488 A543 D544 C550 I551L488-A547 HydrophobicContact CB-CB 3.93Å; L488-A547 HydrophobicContact CD2-CB 4.19Å; L488-A547 HydrophobicContact CG-CB 4.38Å; L488-A547 WeakPolarHBondContact O-CB 3.42Å; A543-A547 PolarHBondContact O-N 3.5Å; D544-A547 PolarHBondContact O-N 2.85Å; A547-C550 WeakPolarHBondContact O-CB 3.48Å; A547-C550 PolarHBondContact O-N 3Å; A547-I551 WeakPolarHBondContact O-CD1 3.46Å; A547-I551 WeakPolarHBondContact O-CG1 3.21Å; A547-I551 PolarHBondContact O-N 3.27Å
548L97.8Very high94.2Very high0 Ų018 Ų180%011%0.108CC..Hα-helixtrans-60.8-42.1173.8-177.466.4000111.9F467 L470 I471 L474 L488 D544 I545 W546 I551 L552 I612F467-L548 HydrophobicContact CD2-CD1 4.04Å; F467-L548 HydrophobicContact CD2-CG 4.49Å; F467-L548 HydrophobicContact CE2-CD1 3.55Å; F467-L548 HydrophobicContact CE2-CD2 4.14Å; F467-L548 HydrophobicContact CE2-CG 3.54Å; F467-L548 HydrophobicContact CZ-CD1 4.24Å; F467-L548 HydrophobicContact CZ-CD2 3.97Å; F467-L548 HydrophobicContact CZ-CG 3.84Å; L470-L548 HydrophobicContact CB-CD1 3.89Å; L470-L548 HydrophobicContact CD1-CD1 4.03Å; I471-L548 HydrophobicContact CG1-CD2 4.38Å; L474-L548 HydrophobicContact CD1-CB 4.26Å; L474-L548 HydrophobicContact CD1-CD1 4.02Å; L474-L548 HydrophobicContact CD1-CD2 3.87Å; L474-L548 HydrophobicContact CD1-CG 4.26Å; L488-L548 HydrophobicContact CD2-CB 4.22Å; D544-L548 VanDerWaalsContact O-CB 3.3Å; D544-L548 WeakPolarHBondContact O-CB 3.4Å; D544-L548 PolarHBondContact O-N 3.31Å; I545-L548 WeakPolarHBondContact O-CB 3.43Å; I545-L548 PolarHBondContact O-N 3.27Å; W546-L548 VanDerWaalsContact C-N 3.27Å; W546-L548 PolarHBondContact O-N 3.37Å; L548-I551 PolarHBondContact O-N 2.84Å; L548-L552 PolarHBondContact O-N 3.28Å; L548-I612 HydrophobicContact CD2-CD1 3.72Å
549G98.3Very high94.7Very high0 Ų013.5 Ų13.50%08%0.078CC..Hα-helixtrans-61.9-41.2172.700000113I545 W546 I551 L552 Y553I545-G549 PolarHBondContact O-N 2.69Å; W546-G549 PolarHBondContact O-N 2.89Å; W546-G549 VanDerWaalsContact O-N 3.12Å; G549-I551 VanDerWaalsContact C-N 3.33Å; G549-I551 PolarHBondContact O-N 3.37Å; G549-L552 PolarHBondContact O-N 2.97Å; G549-Y553 WeakPolarHBondContact O-CB 3.36Å; G549-Y553 PolarHBondContact O-N 3.32Å
550C97.7Very high95.4Very high0 Ų010.8 Ų10.80%07%0.068CC..Hα-helixtrans-61.7-41.5174.6-67.20000111.7Y528 W546 A547 Y553 Q554 L560 P561Y528-C550 HydrophobicContact CD1-CB 3.87Å; Y528-C550 HydrophobicContact CE1-CB 4.23Å; W546-C550 PolarHBondContact O-N 3.07Å; W546-C550 PolarHBondContact O-SG 2.85Å; W546-C550 VanDerWaalsContact O-SG 3.41Å; A547-C550 WeakPolarHBondContact O-CB 3.48Å; A547-C550 PolarHBondContact O-N 3Å; C550-Y553 PolarHBondContact O-N 2.87Å; C550-Q554 VanDerWaalsContact O-CB 3.29Å; C550-Q554 WeakPolarHBondContact O-CB 3.46Å; C550-Q554 PolarHBondContact O-N 3.49Å; C550-L560 HydrophobicContact CB-CD2 4.27Å; C550-P561 HydrophobicContact CB-CG 4.21Å
551I98Very high95.8Very high0 Ų09.1 Ų9.10%05%0.051CC..Hα-helixtrans-65.3-43.7177.5-68.9157.5000110.9L444 L470 L488 I493 Y528 A547 L548 G549 Y553 Q554 M555L444-I551 HydrophobicContact CD2-CG2 3.67Å; L470-I551 HydrophobicContact CD1-CG2 4.15Å; L488-I551 HydrophobicContact CD1-CD1 4.46Å; L488-I551 HydrophobicContact CD2-CD1 3.99Å; L488-I551 HydrophobicContact CG-CD1 3.74Å; I493-I551 HydrophobicContact CD1-CD1 3.66Å; I493-I551 HydrophobicContact CD1-CG1 4.38Å; I493-I551 HydrophobicContact CD1-CG2 4.06Å; Y528-I551 HydrophobicContact CD1-CG1 4.41Å; Y528-I551 HydrophobicContact CE1-CG1 3.88Å; A547-I551 WeakPolarHBondContact O-CD1 3.46Å; A547-I551 WeakPolarHBondContact O-CG1 3.21Å; A547-I551 PolarHBondContact O-N 3.27Å; L548-I551 PolarHBondContact O-N 2.84Å; G549-I551 VanDerWaalsContact C-N 3.33Å; G549-I551 PolarHBondContact O-N 3.37Å; I551-Y553 PolarHBondContact O-N 2.75Å; I551-Q554 PolarHBondContact O-N 2.86Å; I551-M555 HydrophobicContact CG2-CE 4.26Å; I551-M555 WeakPolarHBondContact O-CG 3.26Å; I551-M555 PolarHBondContact O-N 2.87Å
552L98.5Very high95.9Very high0 Ų06.4 Ų6.40%04%0.038CC..Hα-helixtrans-60.3-46.6175.9-178.455.8000111.6I463 W464 F467 L548 G549 Q554 M555 C556 I597 I598I463-L552 HydrophobicContact CG2-CD1 3.43Å; I463-L552 VanDerWaalsContact CG2-CD1 3.43Å; W464-L552 HydrophobicContact CH2-CD1 4.45Å; W464-L552 HydrophobicContact CH2-CD2 4.29Å; W464-L552 HydrophobicContact CZ3-CD1 3.97Å; W464-L552 HydrophobicContact CZ3-CD2 4.06Å; F467-L552 HydrophobicContact CD2-CB 4.01Å; F467-L552 HydrophobicContact CD2-CD1 4.01Å; F467-L552 HydrophobicContact CD2-CD2 4.33Å; F467-L552 HydrophobicContact CD2-CG 4.33Å; F467-L552 HydrophobicContact CE1-CD2 4.19Å; F467-L552 HydrophobicContact CE2-CB 3.63Å; F467-L552 HydrophobicContact CE2-CD1 4.32Å; F467-L552 HydrophobicContact CE2-CD2 3.87Å; F467-L552 HydrophobicContact CE2-CG 4.15Å; F467-L552 HydrophobicContact CG-CD1 4.31Å; F467-L552 HydrophobicContact CZ-CB 4.35Å; F467-L552 HydrophobicContact CZ-CD2 3.79Å; L548-L552 PolarHBondContact O-N 3.28Å; G549-L552 PolarHBondContact O-N 2.97Å; L552-Q554 VanDerWaalsContact C-N 3.28Å; L552-Q554 PolarHBondContact O-N 3.21Å; L552-M555 HydrophobicContact CD1-CE 4.05Å; L552-M555 PolarHBondContact O-N 2.86Å; L552-C556 PolarHBondContact O-N 3.11Å; L552-C556 PolarHBondContact O-SG 2.97Å; L552-I597 HydrophobicContact CD2-CB 4.07Å; L552-I597 HydrophobicContact CD2-CG2 3.66Å; L552-I598 HydrophobicContact CB-CG1 4.17Å; L552-I598 HydrophobicContact CD2-CD1 4.45Å; L552-I598 HydrophobicContact CD2-CG1 3.69Å; L552-I598 HydrophobicContact CG-CD1 4.1Å; L552-I598 HydrophobicContact CG-CG1 3.75Å
553Y98.1Very high95.6Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-58.3-42.1174.7-175.9-86.2000112.2G549 C550 I551 C556 T557 T559 P561 Y579 Q580 V582 K585 I598G549-Y553 WeakPolarHBondContact O-CB 3.36Å; G549-Y553 PolarHBondContact O-N 3.32Å; C550-Y553 PolarHBondContact O-N 2.87Å; I551-Y553 PolarHBondContact O-N 2.75Å; Y553-C556 PolarHBondContact O-N 2.88Å; Y553-T557 HydrophobicContact CD1-CG2 4.36Å; Y553-T557 WeakPolarHBondContact CD1-OG1 3.32Å; Y553-T557 HydrophobicContact CE1-CG2 3.97Å; Y553-T557 WeakPolarHBondContact CE1-OG1 3.36Å; Y553-T557 HydrophobicContact CE2-CG2 4.16Å; Y553-T557 PolarHBondContact O-N 3.49Å; Y553-T557 PolarHBondContact O-OG1 3.5Å; Y553-T559 VanDerWaalsContact CD1-O 3.23Å; Y553-T559 WeakPolarHBondContact CD1-O 3.34Å; Y553-T559 WeakPolarHBondContact CE1-O 3.32Å; Y553-P561 HydrophobicContact CD1-CB 3.84Å; Y553-P561 HydrophobicContact CD1-CG 4.16Å; Y553-P561 HydrophobicContact CD2-CB 4.26Å; Y553-P561 VanDerWaalsContact CE1-CA 3.49Å; Y553-P561 HydrophobicContact CE1-CB 4.04Å; Y553-P561 HydrophobicContact CE2-CB 4.45Å; Y553-P561 HydrophobicContact CG-CB 3.94Å; Y553-P561 HydrophobicContact CG-CG 4.27Å; Y553-Y579 HydrophobicContact CD2-CD2 4.16Å; Y553-Y579 HydrophobicContact CD2-CE2 4.39Å; Y553-Y579 AromaticContact CE2-CD2 3.83Å; Y553-Y579 HydrophobicContact CE2-CD2 3.83Å; Y553-Y579 HydrophobicContact CE2-CE2 4.36Å; Y553-Q580 WeakPolarHBondContact CE2-O 3.12Å; Y553-Q580 PolarHBondContact OH-O 3.05Å; Y553-V582 HydrophobicContact CD2-CG2 3.66Å; Y553-V582 HydrophobicContact CE2-CG2 3.84Å; Y553-K585 WeakPolarHBondContact OH-CD 3.48Å; Y553-K585 WeakPolarHBondContact OH-CE 3.39Å; Y553-K585 PolarHBondContact OH-NZ 3.31Å; Y553-I598 HydrophobicContact CD2-CD1 4.21Å; Y553-I598 HydrophobicContact CD2-CG2 4.21Å
554Q96.7Very high95.1Very high22 Ų2211.2 Ų11.210%0.1036%0.064CC..Hα-helixtrans-67.9-38.2180-164.9-168.321.600112.4L448 S490 Y528 C550 I551 L552 C556 T557 F558 T559 L560L448-Q554 HydrophobicContact CD1-CG 3.82Å; S490-Q554 VanDerWaalsContact CB-OE1 3.22Å; S490-Q554 PolarHBondContact OG-OE1 3.14Å; Y528-Q554 PolarHBondContact OH-NE2 3.47Å; Y528-Q554 PolarHBondContact OH-OE1 3.49Å; C550-Q554 VanDerWaalsContact O-CB 3.29Å; C550-Q554 WeakPolarHBondContact O-CB 3.46Å; C550-Q554 PolarHBondContact O-N 3.49Å; I551-Q554 PolarHBondContact O-N 2.86Å; L552-Q554 VanDerWaalsContact C-N 3.28Å; L552-Q554 PolarHBondContact O-N 3.21Å; Q554-C556 PolarHBondContact O-N 3.27Å; Q554-T557 PolarHBondContact O-N 2.67Å; Q554-F558 VanDerWaalsContact O-CA 3.27Å; Q554-F558 WeakPolarHBondContact O-CA 3.33Å; Q554-F558 PolarHBondContact O-N 2.93Å; Q554-T559 WeakPolarHBondContact CA-O 3.37Å; Q554-L560 HydrophobicContact CB-CD2 4.18Å; Q554-L560 HydrophobicContact CG-CD2 4.24Å; Q554-L560 HydrophobicContact CG-CG 4.39Å
555M97.6Very high94.6Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-61.8-31.7173.6-71.3-169.5-65.900112.7L444 L448 F458 I463 I466 F467 I551 L552L444-M555 HydrophobicContact CD1-CG 4.18Å; L444-M555 HydrophobicContact CD1-SD 4.23Å; L444-M555 HydrophobicContact CD2-CG 4.12Å; L444-M555 HydrophobicContact CD2-SD 4.08Å; L448-M555 HydrophobicContact CD2-CG 4.35Å; F458-M555 WeakPolarHBondContact CD2-O 3.15Å; I463-M555 HydrophobicContact CG1-CB 4.48Å; I463-M555 HydrophobicContact CG2-CE 4Å; I466-M555 HydrophobicContact CB-SD 4.1Å; I466-M555 HydrophobicContact CD1-SD 4.24Å; I466-M555 HydrophobicContact CG2-CE 4.34Å; I466-M555 HydrophobicContact CG2-SD 3.69Å; F467-M555 HydrophobicContact CB-CE 4.31Å; F467-M555 HydrophobicContact CD2-CE 4.12Å; I551-M555 HydrophobicContact CG2-CE 4.26Å; I551-M555 WeakPolarHBondContact O-CG 3.26Å; I551-M555 PolarHBondContact O-N 2.87Å; L552-M555 HydrophobicContact CD1-CE 4.05Å; L552-M555 PolarHBondContact O-N 2.86Å
556C96.8Very high93.8Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-81.1-40.1178.9-58.60000112.7L552 Y553 Q554 V582 Y590 V594L552-C556 PolarHBondContact O-N 3.11Å; L552-C556 PolarHBondContact O-SG 2.97Å; Y553-C556 PolarHBondContact O-N 2.88Å; Q554-C556 PolarHBondContact O-N 3.27Å; C556-V582 HydrophobicContact CB-CG1 3.76Å; C556-V582 HydrophobicContact CB-CG2 4.13Å; C556-Y590 HydrophobicContact CB-CD2 3.99Å; C556-Y590 HydrophobicContact CB-CE2 3.65Å; C556-Y590 WeakPolarHBondContact O-CE2 3.4Å; C556-V594 WeakPolarHBondContact SG-CG1 3.39Å
557T94.6Very high92.9Very high15 Ų1528 Ų289%0.09215%0.151CC..Hα-helixtrans-113.6-5.8-165.869.60000114.6Y553 Q554 T559 V582 K585Y553-T557 HydrophobicContact CD1-CG2 4.36Å; Y553-T557 WeakPolarHBondContact CD1-OG1 3.32Å; Y553-T557 HydrophobicContact CE1-CG2 3.97Å; Y553-T557 WeakPolarHBondContact CE1-OG1 3.36Å; Y553-T557 HydrophobicContact CE2-CG2 4.16Å; Y553-T557 PolarHBondContact O-N 3.49Å; Y553-T557 PolarHBondContact O-OG1 3.5Å; Q554-T557 PolarHBondContact O-N 2.67Å; T557-T559 PolarHBondContact O-N 2.87Å; T557-T559 PolarHBondContact OG1-N 3.38Å; T557-T559 PolarHBondContact OG1-O 2.9Å; T557-T559 PolarHBondContact OG1-OG1 2.83Å; T557-V582 HydrophobicContact CG2-CG1 4.45Å; T557-V582 HydrophobicContact CG2-CG2 4.02Å; T557-K585 HydrophobicContact CG2-CB 4.19Å; T557-K585 HydrophobicContact CG2-CD 4.07Å
558F93.3Very high92.1Very high25 Ų2534.1 Ų34.111%0.1118%0.183CC..SBendtrans53.618.8-169.3-52.9-60.4000114.6L448 F451 K452 V456 H457 F458 Q554L448-F558 HydrophobicContact CB-CD1 4.24Å; L448-F558 HydrophobicContact CD2-CD1 3.67Å; L448-F558 HydrophobicContact CD2-CE1 3.87Å; F451-F558 HydrophobicContact CB-CE1 3.63Å; F451-F558 HydrophobicContact CB-CZ 3.67Å; K452-F558 HydrophobicContact CB-CB 4.12Å; K452-F558 HydrophobicContact CB-CD1 4.39Å; K452-F558 HydrophobicContact CB-CD2 4.2Å; K452-F558 HydrophobicContact CB-CG 3.99Å; K452-F558 HydrophobicContact CD-CB 3.97Å; K452-F558 HydrophobicContact CG-CB 4.15Å; K452-F558 HydrophobicContact CG-CD2 4.44Å; K452-F558 HydrophobicContact CG-CG 4.4Å; V456-F558 WeakPolarHBondContact O-CZ 3.24Å; H457-F558 AromaticContact CD2-CE2 3.64Å; H457-F558 AromaticContact NE2-CE2 3.88Å; F458-F558 AromaticContact CD2-CE1 3.96Å; F458-F558 HydrophobicContact CD2-CE1 3.96Å; F458-F558 HydrophobicContact CD2-CZ 4.32Å; F458-F558 AromaticContact CE2-CE1 3.96Å; F458-F558 HydrophobicContact CE2-CE1 3.96Å; Q554-F558 VanDerWaalsContact O-CA 3.27Å; Q554-F558 WeakPolarHBondContact O-CA 3.33Å; Q554-F558 PolarHBondContact O-N 2.93Å
559T92.6Very high91.6Very high33 Ų3335.9 Ų35.920%0.20220%0.195CC..SBendtrans-137.1155.4179.959.80000109.6Y553 Q554 T557 K585Y553-T559 VanDerWaalsContact CD1-O 3.23Å; Y553-T559 WeakPolarHBondContact CD1-O 3.34Å; Y553-T559 WeakPolarHBondContact CE1-O 3.32Å; Q554-T559 WeakPolarHBondContact CA-O 3.37Å; T557-T559 PolarHBondContact O-N 2.87Å; T557-T559 PolarHBondContact OG1-N 3.38Å; T557-T559 PolarHBondContact OG1-O 2.9Å; T557-T559 PolarHBondContact OG1-OG1 2.83Å; T559-K585 PolarHBondContact OG1-NZ 3.09Å
560L94.1Very high91.1Very high14 Ų1436.3 Ų36.37%0.07320%0.198CC..  trans-85.6151.4175.9-76161.3000110.1L527 Y528 C550 Q554 F562 Q563L527-L560 HydrophobicContact CB-CD1 3.65Å; L527-L560 HydrophobicContact CD1-CD1 3.74Å; L527-L560 HydrophobicContact CG-CD1 4.31Å; Y528-L560 HydrophobicContact CD1-CD2 4.27Å; Y528-L560 HydrophobicContact CE1-CD2 3.61Å; Y528-L560 HydrophobicContact CE2-CD1 3.98Å; Y528-L560 HydrophobicContact CE2-CD2 4.29Å; C550-L560 HydrophobicContact CB-CD2 4.27Å; Q554-L560 HydrophobicContact CB-CD2 4.18Å; Q554-L560 HydrophobicContact CG-CD2 4.24Å; Q554-L560 HydrophobicContact CG-CG 4.39Å; L560-F562 PolarHBondContact O-N 2.89Å; L560-Q563 HydrophobicContact CB-CG 4.13Å; L560-Q563 PolarHBondContact O-OE1 3.26Å
561P94.8Very high90.5Very high1 Ų137.3 Ų37.31%0.00621%0.206CC..SBendtrans-64.2-39.4-174.120.6-29.3000112.8C550 Y553 R573 Y579 L602C550-P561 HydrophobicContact CB-CG 4.21Å; Y553-P561 HydrophobicContact CD1-CB 3.84Å; Y553-P561 HydrophobicContact CD1-CG 4.16Å; Y553-P561 HydrophobicContact CD2-CB 4.26Å; Y553-P561 VanDerWaalsContact CE1-CA 3.49Å; Y553-P561 HydrophobicContact CE1-CB 4.04Å; Y553-P561 HydrophobicContact CE2-CB 4.45Å; Y553-P561 HydrophobicContact CG-CB 3.94Å; Y553-P561 HydrophobicContact CG-CG 4.27Å; P561-R573 PolarHBondContact O-NH2 3.25Å; P561-Y579 HydrophobicContact CB-CD2 4.21Å; P561-Y579 HydrophobicContact CB-CG 3.94Å; P561-Y579 WeakPolarHBondContact O-CB 3.43Å; P561-L602 HydrophobicContact CB-CD1 3.97Å; P561-L602 HydrophobicContact CG-CD1 3.95Å
562F94.4Very high90.1Very high0 Ų039.8 Ų39.80%022%0.223CC..  trans-109.395.1-175.4-46.7-74.3000110.7L527 W546 L560 R573 I574 Y579 L602L527-F562 WeakPolarHBondContact CD2-O 3.41Å; W546-F562 AromaticContact CE2-CE2 3.74Å; W546-F562 HydrophobicContact CH2-CE1 4.35Å; W546-F562 AromaticContact CH2-CE2 3.75Å; W546-F562 HydrophobicContact CH2-CE2 3.75Å; W546-F562 AromaticContact CH2-CZ 3.5Å; W546-F562 HydrophobicContact CH2-CZ 3.5Å; W546-F562 AromaticContact CZ2-CD2 3.85Å; W546-F562 HydrophobicContact CZ2-CD2 3.85Å; W546-F562 HydrophobicContact CZ2-CE1 4.31Å; W546-F562 AromaticContact CZ2-CE2 3.09Å; W546-F562 HydrophobicContact CZ2-CE2 3.09Å; W546-F562 AromaticContact CZ2-CZ 3.37Å; W546-F562 HydrophobicContact CZ2-CZ 3.37Å; L560-F562 PolarHBondContact O-N 2.89Å; F562-R573 HydrophobicContact CB-CB 4.47Å; F562-R573 HydrophobicContact CD1-CB 4.23Å; F562-R573 WeakPolarHBondContact CD1-O 3.41Å; F562-I574 HydrophobicContact CB-CD1 4.43Å; F562-I574 HydrophobicContact CB-CG1 3.55Å; F562-I574 HydrophobicContact CD1-CG1 4.37Å; F562-I574 HydrophobicContact CD2-CG1 3.94Å; F562-I574 HydrophobicContact CG-CB 4.5Å; F562-I574 HydrophobicContact CG-CG1 3.69Å; F562-Y579 AromaticContact CE1-CD1 3.69Å; F562-Y579 HydrophobicContact CE1-CD1 3.69Å; F562-Y579 HydrophobicContact CE1-CG 4.27Å; F562-Y579 AromaticContact CZ-CD1 3.77Å; F562-Y579 HydrophobicContact CZ-CD1 3.77Å; F562-Y579 HydrophobicContact CZ-CE1 4.43Å; F562-Y579 HydrophobicContact CZ-CG 4.44Å; F562-L602 HydrophobicContact CE2-CD1 4.22Å; F562-L602 HydrophobicContact CE2-CD2 4.17Å; F562-L602 HydrophobicContact CZ-CD1 4.17Å
563Q85.8Confident89.8Confident89 Ų8942.6 Ų42.642%0.41623%0.234SC..  trans-130.9105.8177.5-63.1-175.6-76.300109.5L560 R573L560-Q563 HydrophobicContact CB-CG 4.13Å; L560-Q563 PolarHBondContact O-OE1 3.26Å; Q563-R573 VanDerWaalsContact N-NH1 3.19Å; Q563-R573 PolarHBondContact O-NH1 3.16Å
564G82.7Confident89.6Confident29 Ų2942.6 Ų42.630%0.29923%0.234SC..  trans-99169.4173.200000112.4C566 S569 T570G564-C566 PolarHBondContact O-N 3.14Å; G564-S569 WeakPolarHBondContact CA-OG 3.29Å; G564-T570 WeakPolarHBondContact CA-OG1 3.41Å; G564-T570 PolarHBondContact N-OG1 3.43Å
565E82.1Confident89.4Confident206 Ų20644.2 Ų44.296%0.96325%0.245SC*.SBendtrans-64.4-28.6175.4-62.3178.7175.700112.3S569E565-S569 PolarHBondContact N-OG 2.96Å; E565-S569 VanDerWaalsContact N-OG 3.09Å
566C81.1Confident89.2Confident67 Ų6750.8 Ų50.845%0.45327%0.273SS..SBendtrans-140.9165.9177.2750000112G564 L568 S569 T570G564-C566 PolarHBondContact O-N 3.14Å; C566-L568 PolarHBondContact O-N 3.41Å; C566-L568 VanDerWaalsContact O-N 3.17Å; C566-S569 PolarHBondContact N-OG 2.92Å; C566-S569 PolarHBondContact O-N 2.93Å; C566-S569 VanDerWaalsContact O-N 3.08Å; C566-S569 PolarHBondContact O-OG 3.19Å; C566-T570 PolarHBondContact O-N 2.87Å; C566-T570 PolarHBondContact O-OG1 3.28Å
567I79.9Confident89Confident82 Ų8251.6 Ų51.642%0.42128%0.282SS..Hα-helixtrans-55.2-37.4-177.2-162.375.5000113.4V523 L526 T570 A571V523-I567 HydrophobicContact CG1-CD1 4.22Å; V523-I567 HydrophobicContact CG2-CD1 4.43Å; L526-I567 HydrophobicContact CB-CD1 4.27Å; L526-I567 HydrophobicContact CD2-CD1 3.24Å; L526-I567 HydrophobicContact CD2-CG1 3.66Å; L526-I567 HydrophobicContact CG-CD1 4.35Å; I567-T570 PolarHBondContact O-N 3.21Å; I567-A571 WeakPolarHBondContact O-CB 3.49Å; I567-A571 PolarHBondContact O-N 2.86Å
568L79.9Confident89Confident133 Ų13356 Ų5670%0.69630%0.302SS*.Hα-helixtrans-70.3-41.2179.1-65.2175.5000111.7C566 A571 S572C566-L568 PolarHBondContact O-N 3.41Å; C566-L568 VanDerWaalsContact O-N 3.17Å; L568-A571 PolarHBondContact O-N 3.45Å; L568-S572 WeakPolarHBondContact O-CB 3.35Å; L568-S572 PolarHBondContact O-N 2.96Å
569S85.8Confident89.1Confident37 Ų3757.1 Ų57.126%0.25931%0.305SS..Hα-helixtrans-65.6-39.4174.966.20000111.6G564 E565 C566 S572 R573G564-S569 WeakPolarHBondContact CA-OG 3.29Å; E565-S569 PolarHBondContact N-OG 2.96Å; E565-S569 VanDerWaalsContact N-OG 3.09Å; C566-S569 PolarHBondContact N-OG 2.92Å; C566-S569 PolarHBondContact O-N 2.93Å; C566-S569 VanDerWaalsContact O-N 3.08Å; C566-S569 PolarHBondContact O-OG 3.19Å; S569-S572 PolarHBondContact O-N 2.9Å; S569-R573 WeakPolarHBondContact O-CG 3.41Å; S569-R573 PolarHBondContact O-N 3.48Å
570T87.7Confident89.1Confident9 Ų959.7 Ų59.76%0.05532%0.315CS..Hα-helixtrans-60.4-50.1172.2-62.90000111.3L526 L527 G564 C566 I567 S572 R573 I574L526-T570 HydrophobicContact CD2-CG2 4.19Å; L527-T570 HydrophobicContact CD2-CG2 3.71Å; G564-T570 WeakPolarHBondContact CA-OG1 3.41Å; G564-T570 PolarHBondContact N-OG1 3.43Å; C566-T570 PolarHBondContact O-N 2.87Å; C566-T570 PolarHBondContact O-OG1 3.28Å; I567-T570 PolarHBondContact O-N 3.21Å; T570-S572 VanDerWaalsContact C-N 3.31Å; T570-S572 PolarHBondContact O-N 3.46Å; T570-R573 PolarHBondContact O-N 3.03Å; T570-I574 HydrophobicContact CG2-CD1 4.04Å; T570-I574 WeakPolarHBondContact O-CG1 3.47Å; T570-I574 PolarHBondContact O-N 2.89Å
571A86.2Confident89.1Confident21 Ų2160.3 Ų60.317%0.17432%0.321CS..Hα-helixtrans-59-41.8177.400000112.1V534 I567 L568 I574 V575V534-A571 HydrophobicContact CG1-CB 3.84Å; I567-A571 WeakPolarHBondContact O-CB 3.49Å; I567-A571 PolarHBondContact O-N 2.86Å; L568-A571 PolarHBondContact O-N 3.45Å; A571-I574 PolarHBondContact O-N 3.31Å; A571-V575 WeakPolarHBondContact O-CG2 3.41Å; A571-V575 PolarHBondContact O-N 3.33Å
572S88.8Confident89.1Confident52 Ų5260.3 Ų60.336%0.36432%0.32SS..Hα-helixtrans-62.5-43.9176.6-171.50000112.2L568 S569 T570 I574 V575 K576L568-S572 WeakPolarHBondContact O-CB 3.35Å; L568-S572 PolarHBondContact O-N 2.96Å; S569-S572 PolarHBondContact O-N 2.9Å; T570-S572 VanDerWaalsContact C-N 3.31Å; T570-S572 PolarHBondContact O-N 3.46Å; S572-I574 VanDerWaalsContact C-N 3.35Å; S572-I574 PolarHBondContact O-N 3.01Å; S572-V575 PolarHBondContact O-N 3.21Å; S572-K576 WeakPolarHBondContact O-CB 3.47Å; S572-K576 WeakPolarHBondContact O-CG 3.46Å; S572-K576 PolarHBondContact O-N 3.45Å
573R93.9Very high89Confident60 Ų6064.5 Ų64.523%0.22634%0.339CS..Hα-helixtrans-63.6-39.3176.5-70.1-176.170.4-154.4-10112.2P561 F562 Q563 S569 T570 G577 E578P561-R573 PolarHBondContact O-NH2 3.25Å; F562-R573 HydrophobicContact CB-CB 4.47Å; F562-R573 HydrophobicContact CD1-CB 4.23Å; F562-R573 WeakPolarHBondContact CD1-O 3.41Å; Q563-R573 VanDerWaalsContact N-NH1 3.19Å; Q563-R573 PolarHBondContact O-NH1 3.16Å; S569-R573 WeakPolarHBondContact O-CG 3.41Å; S569-R573 PolarHBondContact O-N 3.48Å; T570-R573 PolarHBondContact O-N 3.03Å; R573-G577 PolarHBondContact O-N 3.41Å; R573-E578 PolarHBondContact NE-O 3.31Å; R573-E578 VanDerWaalsContact NE-O 3.14Å; R573-E578 PolarHBondContact NH2-O 2.92Å; R573-E578 PolarHBondContact O-N 2.89Å
574I93.7Very high89.3Confident0 Ų065.7 Ų65.70%035%0.347CS..Hα-helixtrans-59.6-54.8173.8-69166.8000109.9L526 P531 V534 W546 F562 T570 A571 S572 K576 G577L526-I574 HydrophobicContact CG-CD1 4.22Å; L526-I574 WeakPolarHBondContact O-CD1 3.14Å; P531-I574 HydrophobicContact CB-CG2 4.48Å; P531-I574 HydrophobicContact CG-CG2 4.03Å; V534-I574 HydrophobicContact CG2-CD1 4.2Å; V534-I574 HydrophobicContact CG2-CG2 3.88Å; W546-I574 HydrophobicContact CZ2-CG2 3.87Å; F562-I574 HydrophobicContact CB-CD1 4.43Å; F562-I574 HydrophobicContact CB-CG1 3.55Å; F562-I574 HydrophobicContact CD1-CG1 4.37Å; F562-I574 HydrophobicContact CD2-CG1 3.94Å; F562-I574 HydrophobicContact CG-CB 4.5Å; F562-I574 HydrophobicContact CG-CG1 3.69Å; T570-I574 HydrophobicContact CG2-CD1 4.04Å; T570-I574 WeakPolarHBondContact O-CG1 3.47Å; T570-I574 PolarHBondContact O-N 2.89Å; A571-I574 PolarHBondContact O-N 3.31Å; S572-I574 VanDerWaalsContact C-N 3.35Å; S572-I574 PolarHBondContact O-N 3.01Å; I574-K576 VanDerWaalsContact C-N 3.26Å; I574-K576 PolarHBondContact O-N 3.46Å; I574-G577 PolarHBondContact O-N 3.26Å
575V92.1Very high89.6Confident55 Ų5567.9 Ų67.933%0.33335%0.348SS..Hα-helixtrans-61.3-35.4-176.6172.30000112.3V534 Q535 A571 S572V534-V575 HydrophobicContact CB-CG2 4.49Å; V534-V575 HydrophobicContact CG1-CG2 4.13Å; Q535-V575 HydrophobicContact CG-CG2 3.95Å; A571-V575 WeakPolarHBondContact O-CG2 3.41Å; A571-V575 PolarHBondContact O-N 3.33Å; S572-V575 PolarHBondContact O-N 3.21Å
576K92.9Very high90Very high138 Ų13858.8 Ų58.860%0.631%0.307SS*.Hα-helixtrans-81.5-10.5176.7-69.1176.8178.4177.30114.3S572 I574 E578S572-K576 WeakPolarHBondContact O-CB 3.47Å; S572-K576 WeakPolarHBondContact O-CG 3.46Å; S572-K576 PolarHBondContact O-N 3.45Å; I574-K576 VanDerWaalsContact C-N 3.26Å; I574-K576 PolarHBondContact O-N 3.46Å; K576-E578 VanDerWaalsContact C-N 3.26Å; K576-E578 HydrophobicContact CB-CB 4.23Å; K576-E578 PolarHBondContact O-N 3.46Å
577G93.4Very high90.4Very high17 Ų1759.8 Ų59.818%0.17531%0.313CS..THydrogen-bonded Turntrans64.828.5-171.100000113.7R573 I574 Y579R573-G577 PolarHBondContact O-N 3.41Å; I574-G577 PolarHBondContact O-N 3.26Å; G577-Y579 WeakPolarHBondContact O-CD1 3.48Å; G577-Y579 PolarHBondContact O-N 3.23Å
578E93.4Very high90.6Very high109 Ų10964 Ų6451%0.50934%0.336SS..  trans-91.8101.2-171.1-169.8-176.3167.800112.6R573 K576R573-E578 PolarHBondContact NE-O 3.31Å; R573-E578 VanDerWaalsContact NE-O 3.14Å; R573-E578 PolarHBondContact NH2-O 2.92Å; R573-E578 PolarHBondContact O-N 2.89Å; K576-E578 VanDerWaalsContact C-N 3.26Å; K576-E578 HydrophobicContact CB-CB 4.23Å; K576-E578 PolarHBondContact O-N 3.46Å
579Y94.9Very high91.1Very high48 Ų4861.9 Ų61.919%0.18832%0.322CS..  trans-140.515817567-81.3000112.3Y553 P561 F562 G577 I598 Q599 L602Y553-Y579 HydrophobicContact CD2-CD2 4.16Å; Y553-Y579 HydrophobicContact CD2-CE2 4.39Å; Y553-Y579 AromaticContact CE2-CD2 3.83Å; Y553-Y579 HydrophobicContact CE2-CD2 3.83Å; Y553-Y579 HydrophobicContact CE2-CE2 4.36Å; P561-Y579 HydrophobicContact CB-CD2 4.21Å; P561-Y579 HydrophobicContact CB-CG 3.94Å; P561-Y579 WeakPolarHBondContact O-CB 3.43Å; F562-Y579 AromaticContact CE1-CD1 3.69Å; F562-Y579 HydrophobicContact CE1-CD1 3.69Å; F562-Y579 HydrophobicContact CE1-CG 4.27Å; F562-Y579 AromaticContact CZ-CD1 3.77Å; F562-Y579 HydrophobicContact CZ-CD1 3.77Å; F562-Y579 HydrophobicContact CZ-CE1 4.43Å; F562-Y579 HydrophobicContact CZ-CG 4.44Å; G577-Y579 WeakPolarHBondContact O-CD1 3.48Å; G577-Y579 PolarHBondContact O-N 3.23Å; Y579-I598 HydrophobicContact CE2-CG2 3.79Å; Y579-Q599 WeakPolarHBondContact OH-CA 3.45Å; Y579-L602 HydrophobicContact CD1-CD1 4.12Å; Y579-L602 HydrophobicContact CD2-CD1 4.4Å; Y579-L602 HydrophobicContact CE1-CB 3.89Å; Y579-L602 HydrophobicContact CE1-CD1 3.79Å; Y579-L602 HydrophobicContact CE2-CD1 4.09Å; Y579-L602 HydrophobicContact CG-CD1 4.41Å
580Q94.5Very high91.5Very high87 Ų8761 Ų6141%0.40731%0.314SS..  trans-83124.4177.4-173.517916.700109.8Y553 I584 K585Y553-Q580 WeakPolarHBondContact CE2-O 3.12Å; Y553-Q580 PolarHBondContact OH-O 3.05Å; Q580-I584 HydrophobicContact CG-CB 3.97Å; Q580-I584 HydrophobicContact CG-CD1 4.43Å; Q580-I584 HydrophobicContact CG-CG2 4.15Å; Q580-K585 HydrophobicContact CB-CG 4.49Å; Q580-K585 HydrophobicContact CG-CG 4.06Å; Q580-K585 VanDerWaalsContact OE1-CE 3.26Å
581S93.7Very high91.7Very high27 Ų2762.7 Ų62.719%0.18933%0.326CS..  trans-49.8147.3175.4151.60000113.1K583 I584 K585 D595S581-K583 VanDerWaalsContact C-N 3.33Å; S581-K583 PolarHBondContact O-N 3.27Å; S581-K583 PolarHBondContact OG-N 3.07Å; S581-I584 PolarHBondContact O-N 3.45Å; S581-I584 VanDerWaalsContact O-N 3.13Å; S581-K585 PolarHBondContact O-N 3.05Å; S581-D595 WeakPolarHBondContact CB-OD1 3.28Å; S581-D595 PolarHBondContact OG-OD1 3.29Å
582V94.5Very high92.1Very high0 Ų066.3 Ų66.30%034%0.342CS..Hα-helixtrans-63.5-39.3178174.50000110.7Y553 C556 T557 I584 K585 C586 Y590 V594 D595 I598Y553-V582 HydrophobicContact CD2-CG2 3.66Å; Y553-V582 HydrophobicContact CE2-CG2 3.84Å; C556-V582 HydrophobicContact CB-CG1 3.76Å; C556-V582 HydrophobicContact CB-CG2 4.13Å; T557-V582 HydrophobicContact CG2-CG1 4.45Å; T557-V582 HydrophobicContact CG2-CG2 4.02Å; V582-I584 PolarHBondContact O-N 2.87Å; V582-I584 VanDerWaalsContact O-N 3.14Å; V582-K585 PolarHBondContact O-N 3.35Å; V582-K585 VanDerWaalsContact O-N 3.17Å; V582-C586 HydrophobicContact CG1-CB 4.33Å; V582-C586 WeakPolarHBondContact O-CA 3.39Å; V582-C586 PolarHBondContact O-N 2.8Å; V582-Y590 HydrophobicContact CG1-CD2 3.61Å; V582-Y590 HydrophobicContact CG1-CE2 4.34Å; V582-Y590 HydrophobicContact CG1-CG 4.47Å; V582-V594 HydrophobicContact CG1-CG1 4.4Å; V582-D595 PolarHBondContact N-OD1 3.33Å; V582-I598 HydrophobicContact CG2-CD1 3.46Å; V582-I598 VanDerWaalsContact CG2-CD1 3.46Å
583K91.9Very high92.3Very high89 Ų8965.7 Ų65.739%0.38733%0.334SS..Hα-helixtrans-54.5-31.6173.2-74.6170-152-177.50114.3S581 P587 N592 D595S581-K583 VanDerWaalsContact C-N 3.33Å; S581-K583 PolarHBondContact O-N 3.27Å; S581-K583 PolarHBondContact OG-N 3.07Å; K583-P587 VanDerWaalsContact O-CA 3.23Å; K583-P587 WeakPolarHBondContact O-CA 3.3Å; K583-N592 WeakPolarHBondContact CE-OD1 3.26Å; K583-N592 PolarHBondContact NZ-OD1 3.37Å; K583-D595 WeakPolarHBondContact CE-OD2 3.36Å; K583-D595 WeakPolarHBondContact CG-OD2 3.34Å; K583-D595 PolarHBondContact N-OD2 3.44Å
584I91.7Very high92.4Very high114 Ų11462.8 Ų62.859%0.58532%0.324SS*.Hα-helixtrans-81.9-41.5-179.7-51.7176.8000110.1Q580 S581 V582Q580-I584 HydrophobicContact CG-CB 3.97Å; Q580-I584 HydrophobicContact CG-CD1 4.43Å; Q580-I584 HydrophobicContact CG-CG2 4.15Å; S581-I584 PolarHBondContact O-N 3.45Å; S581-I584 VanDerWaalsContact O-N 3.13Å; V582-I584 PolarHBondContact O-N 2.87Å; V582-I584 VanDerWaalsContact O-N 3.14Å
585K90.2Very high92.5Very high75 Ų7563 Ų6333%0.32633%0.325SS..Hα-helixtrans-73.6-36.2178.9-82.5-160.2173.3167.80113.7Y553 T557 T559 Q580 S581 V582Y553-K585 WeakPolarHBondContact OH-CD 3.48Å; Y553-K585 WeakPolarHBondContact OH-CE 3.39Å; Y553-K585 PolarHBondContact OH-NZ 3.31Å; T557-K585 HydrophobicContact CG2-CB 4.19Å; T557-K585 HydrophobicContact CG2-CD 4.07Å; T559-K585 PolarHBondContact OG1-NZ 3.09Å; Q580-K585 HydrophobicContact CB-CG 4.49Å; Q580-K585 HydrophobicContact CG-CG 4.06Å; Q580-K585 VanDerWaalsContact OE1-CE 3.26Å; S581-K585 PolarHBondContact O-N 3.05Å; V582-K585 PolarHBondContact O-N 3.35Å; V582-K585 VanDerWaalsContact O-N 3.17Å
586C89.9Confident92.7Very high15 Ų1564.7 Ų64.710%0.10133%0.329CS..SBendtrans-129.467.8-174.8-57.50000109V582 N588 Q589 Y590V582-C586 HydrophobicContact CG1-CB 4.33Å; V582-C586 WeakPolarHBondContact O-CA 3.39Å; V582-C586 PolarHBondContact O-N 2.8Å; C586-N588 PolarHBondContact O-N 3.46Å; C586-Q589 HydrophobicContact CB-CB 3.84Å; C586-Q589 HydrophobicContact CB-CG 4.37Å; C586-Q589 WeakPolarHBondContact O-CB 3.49Å; C586-Q589 PolarHBondContact O-N 3.35Å; C586-Y590 HydrophobicContact CB-CD2 4.16Å; C586-Y590 HydrophobicContact CB-CE2 4.12Å
587P88.7Confident92.9Very high88 Ų8858.1 Ų58.157%0.57130%0.3SS*.THydrogen-bonded Turntrans-60.7133.9-175.424.9-33.8000111.7K583 Q589K583-P587 VanDerWaalsContact O-CA 3.23Å; K583-P587 WeakPolarHBondContact O-CA 3.3Å; P587-Q589 PolarHBondContact O-N 2.93Å; P587-Q589 VanDerWaalsContact O-N 3.11Å
588N85.4Confident93.1Very high170 Ų17057.3 Ų57.391%0.90929%0.292SS*.THydrogen-bonded Turntrans58.513.7-178.6-54.6-39.3000115.8C586C586-N588 PolarHBondContact O-N 3.46Å
589Q89.2Confident93.3Very high88 Ų8857.1 Ų57.141%0.41129%0.291SS..THydrogen-bonded Turntrans-86.4-35.6-178.8-17365.320.300112.9C586 P587C586-Q589 HydrophobicContact CB-CB 3.84Å; C586-Q589 HydrophobicContact CB-CG 4.37Å; C586-Q589 WeakPolarHBondContact O-CB 3.49Å; C586-Q589 PolarHBondContact O-N 3.35Å; P587-Q589 PolarHBondContact O-N 2.93Å; P587-Q589 VanDerWaalsContact O-N 3.11Å
590Y94.5Very high93.4Very high20 Ų2056.5 Ų56.58%0.07829%0.292CS..SBendtrans-134.3151.8-170.9-59.1-62.9000111.7F458 E460 I463 C556 V582 C586F458-Y590 WeakPolarHBondContact O-CE1 3.25Å; F458-Y590 PolarHBondContact O-OH 3.43Å; E460-Y590 HydrophobicContact CB-CD1 4.11Å; I463-Y590 HydrophobicContact CD1-CD1 4.03Å; I463-Y590 HydrophobicContact CD1-CE1 3.37Å; C556-Y590 HydrophobicContact CB-CD2 3.99Å; C556-Y590 HydrophobicContact CB-CE2 3.65Å; C556-Y590 WeakPolarHBondContact O-CE2 3.4Å; V582-Y590 HydrophobicContact CG1-CD2 3.61Å; V582-Y590 HydrophobicContact CG1-CE2 4.34Å; V582-Y590 HydrophobicContact CG1-CG 4.47Å; C586-Y590 HydrophobicContact CB-CD2 4.16Å; C586-Y590 HydrophobicContact CB-CE2 4.12Å
591S93.3Very high93.6Very high44 Ų4452.4 Ų52.431%0.30827%0.273SS..  trans-66.8163.1178.779.50000112.8E460 L593 V594E460-S591 VanDerWaalsContact OE1-CB 3.22Å; E460-S591 WeakPolarHBondContact OE1-CB 3.35Å; E460-S591 PolarHBondContact OE1-OG 3.34Å; E460-S591 WeakPolarHBondContact OE2-CB 3.46Å; E460-S591 PolarHBondContact OE2-N 3.19Å; S591-L593 PolarHBondContact O-N 3.04Å; S591-L593 VanDerWaalsContact O-N 3.14Å; S591-L593 WeakPolarHBondContact OG-CB 3.33Å; S591-L593 PolarHBondContact OG-N 3.46Å; S591-V594 PolarHBondContact O-N 3.12Å
592N92.6Very high93.8Very high96 Ų9651.2 Ų51.251%0.51327%0.265SS..Hα-helixtrans-60.4-23174.8-67.1-30.3000113.1K583 V594 D595 Q596K583-N592 WeakPolarHBondContact CE-OD1 3.26Å; K583-N592 PolarHBondContact NZ-OD1 3.37Å; N592-V594 VanDerWaalsContact C-N 3.28Å; N592-V594 PolarHBondContact O-N 3.04Å; N592-D595 PolarHBondContact O-N 3.25Å; N592-Q596 VanDerWaalsContact O-CG 3.3Å; N592-Q596 WeakPolarHBondContact O-CG 3.34Å; N592-Q596 PolarHBondContact O-N 3.12Å; N592-Q596 VanDerWaalsContact O-N 3.09Å
593L94.5Very high93.9Very high39 Ų3954.5 Ų54.520%0.20428%0.28CS..Hα-helixtrans-64.6-35.2-179.6-173.662.1000111.4W464 S591 Q596 I597 Y618 L619W464-L593 HydrophobicContact CZ2-CB 4.38Å; W464-L593 HydrophobicContact CZ2-CD2 4.19Å; W464-L593 HydrophobicContact CZ2-CG 4.17Å; S591-L593 PolarHBondContact O-N 3.04Å; S591-L593 VanDerWaalsContact O-N 3.14Å; S591-L593 WeakPolarHBondContact OG-CB 3.33Å; S591-L593 PolarHBondContact OG-N 3.46Å; L593-Q596 PolarHBondContact O-N 3.11Å; L593-I597 HydrophobicContact CD1-CD1 4.17Å; L593-I597 HydrophobicContact CD1-CG1 4.33Å; L593-I597 HydrophobicContact CG-CD1 4.01Å; L593-I597 HydrophobicContact CG-CG1 4.49Å; L593-I597 WeakPolarHBondContact O-CG1 3.43Å; L593-I597 PolarHBondContact O-N 3.2Å; L593-Y618 HydrophobicContact CD1-CD1 4.4Å; L593-L619 HydrophobicContact CD2-CD2 3.83Å
594V96Very high94.1Very high0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-58.9-55.1176.2173.60000110.9E460 W464 C556 V582 S591 N592 Q596 I597 I598E460-V594 HydrophobicContact CG-CG2 4.45Å; W464-V594 HydrophobicContact CH2-CB 4.37Å; W464-V594 HydrophobicContact CH2-CG2 3.72Å; W464-V594 HydrophobicContact CZ2-CB 4.35Å; W464-V594 HydrophobicContact CZ2-CG2 3.35Å; C556-V594 WeakPolarHBondContact SG-CG1 3.39Å; V582-V594 HydrophobicContact CG1-CG1 4.4Å; S591-V594 PolarHBondContact O-N 3.12Å; N592-V594 VanDerWaalsContact C-N 3.28Å; N592-V594 PolarHBondContact O-N 3.04Å; V594-Q596 VanDerWaalsContact C-N 3.32Å; V594-Q596 PolarHBondContact O-N 2.89Å; V594-I597 PolarHBondContact O-N 2.97Å; V594-I598 HydrophobicContact CG1-CD1 3.7Å; V594-I598 WeakPolarHBondContact O-CB 3.41Å; V594-I598 VanDerWaalsContact O-CG1 3.24Å; V594-I598 WeakPolarHBondContact O-CG1 3.35Å; V594-I598 PolarHBondContact O-N 3.24Å
595D95.1Very high94.3Very high4 Ų449.8 Ų49.82%0.02126%0.263CS..Hα-helixtrans-62.6-37.6177.8-77.4-99.6000112.2S581 V582 K583 N592 I598 Q599S581-D595 WeakPolarHBondContact CB-OD1 3.28Å; S581-D595 PolarHBondContact OG-OD1 3.29Å; V582-D595 PolarHBondContact N-OD1 3.33Å; K583-D595 WeakPolarHBondContact CE-OD2 3.36Å; K583-D595 WeakPolarHBondContact CG-OD2 3.34Å; K583-D595 PolarHBondContact N-OD2 3.44Å; N592-D595 PolarHBondContact O-N 3.25Å; D595-I598 PolarHBondContact O-N 2.81Å; D595-Q599 VanDerWaalsContact O-CB 3.31Å; D595-Q599 WeakPolarHBondContact O-CB 3.49Å; D595-Q599 WeakPolarHBondContact O-CG 3.47Å; D595-Q599 PolarHBondContact O-N 2.56Å
596Q95.7Very high94.4Very high90 Ų9048.9 Ų48.942%0.42126%0.264SS..Hα-helixtrans-60.6-48.3177.9-74.6172.510.100111.9N592 L593 V594 Q599 V600N592-Q596 VanDerWaalsContact O-CG 3.3Å; N592-Q596 WeakPolarHBondContact O-CG 3.34Å; N592-Q596 PolarHBondContact O-N 3.12Å; N592-Q596 VanDerWaalsContact O-N 3.09Å; L593-Q596 PolarHBondContact O-N 3.11Å; V594-Q596 VanDerWaalsContact C-N 3.32Å; V594-Q596 PolarHBondContact O-N 2.89Å; Q596-Q599 PolarHBondContact O-N 3.47Å; Q596-V600 PolarHBondContact O-N 3.41Å; Q596-V600 VanDerWaalsContact O-N 3.12Å
597I97.8Very high94.5Very high0 Ų055 Ų550%030%0.295CS..Hα-helixtrans-66.5-41179-66.3175.8000110.7W464 F467 L552 L593 V594 Q599 V600 C601 V615 Y618 L619W464-I597 HydrophobicContact CH2-CD1 3.74Å; W464-I597 HydrophobicContact CZ3-CD1 3.96Å; F467-I597 HydrophobicContact CE1-CG2 3.86Å; F467-I597 HydrophobicContact CZ-CG2 3.87Å; L552-I597 HydrophobicContact CD2-CB 4.07Å; L552-I597 HydrophobicContact CD2-CG2 3.66Å; L593-I597 HydrophobicContact CD1-CD1 4.17Å; L593-I597 HydrophobicContact CD1-CG1 4.33Å; L593-I597 HydrophobicContact CG-CD1 4.01Å; L593-I597 HydrophobicContact CG-CG1 4.49Å; L593-I597 WeakPolarHBondContact O-CG1 3.43Å; L593-I597 PolarHBondContact O-N 3.2Å; V594-I597 PolarHBondContact O-N 2.97Å; I597-Q599 VanDerWaalsContact C-N 3.33Å; I597-Q599 PolarHBondContact O-N 2.83Å; I597-V600 VanDerWaalsContact O-CG2 3.29Å; I597-V600 WeakPolarHBondContact O-CG2 3.38Å; I597-V600 PolarHBondContact O-N 2.76Å; I597-C601 WeakPolarHBondContact O-CB 3.37Å; I597-C601 PolarHBondContact O-N 2.98Å; I597-C601 PolarHBondContact O-SG 3.27Å; I597-V615 HydrophobicContact CG2-CG1 4.21Å; I597-Y618 HydrophobicContact CD1-CG 4.49Å; I597-Y618 HydrophobicContact CG1-CD1 4.31Å; I597-Y618 HydrophobicContact CG1-CG 3.97Å; I597-L619 HydrophobicContact CD1-CD1 3.92Å; I597-L619 HydrophobicContact CD1-CD2 3.91Å; I597-L619 HydrophobicContact CD1-CG 3.69Å
598I98.3Very high94.9Very high0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-60.6-44.6175.3-68.8169.6000110.4L552 Y553 Y579 V582 V594 D595 C601 L602L552-I598 HydrophobicContact CB-CG1 4.17Å; L552-I598 HydrophobicContact CD2-CD1 4.45Å; L552-I598 HydrophobicContact CD2-CG1 3.69Å; L552-I598 HydrophobicContact CG-CD1 4.1Å; L552-I598 HydrophobicContact CG-CG1 3.75Å; Y553-I598 HydrophobicContact CD2-CD1 4.21Å; Y553-I598 HydrophobicContact CD2-CG2 4.21Å; Y579-I598 HydrophobicContact CE2-CG2 3.79Å; V582-I598 HydrophobicContact CG2-CD1 3.46Å; V582-I598 VanDerWaalsContact CG2-CD1 3.46Å; V594-I598 HydrophobicContact CG1-CD1 3.7Å; V594-I598 WeakPolarHBondContact O-CB 3.41Å; V594-I598 VanDerWaalsContact O-CG1 3.24Å; V594-I598 WeakPolarHBondContact O-CG1 3.35Å; V594-I598 PolarHBondContact O-N 3.24Å; D595-I598 PolarHBondContact O-N 2.81Å; I598-C601 PolarHBondContact O-N 3.48Å; I598-L602 HydrophobicContact CG2-CD1 3.6Å; I598-L602 HydrophobicContact CG2-CG 4.11Å; I598-L602 VanDerWaalsContact O-CB 3.26Å; I598-L602 WeakPolarHBondContact O-CB 3.2Å; I598-L602 WeakPolarHBondContact O-CG 3.47Å; I598-L602 PolarHBondContact O-N 3.08Å
599Q97.1Very high95.4Very high106 Ų10649.7 Ų49.750%0.49526%0.256SS..Hα-helixtrans-60.3-47-179.9-78.3171.1-6.800112.3Y579 D595 Q596 I597 L602 E603Y579-Q599 WeakPolarHBondContact OH-CA 3.45Å; D595-Q599 VanDerWaalsContact O-CB 3.31Å; D595-Q599 WeakPolarHBondContact O-CB 3.49Å; D595-Q599 WeakPolarHBondContact O-CG 3.47Å; D595-Q599 PolarHBondContact O-N 2.56Å; Q596-Q599 PolarHBondContact O-N 3.47Å; I597-Q599 VanDerWaalsContact C-N 3.33Å; I597-Q599 PolarHBondContact O-N 2.83Å; Q599-L602 CarbonylContact O-C 3.5Å; Q599-L602 PolarHBondContact O-N 3.41Å; Q599-E603 PolarHBondContact O-N 2.86Å
600V97.3Very high95.8Very high35 Ų3546.9 Ų46.921%0.21225%0.245CC..Hα-helixtrans-70.7-34.5179.4-60.40000112.3Q596 I597 E603 P610 Y618Q596-V600 PolarHBondContact O-N 3.41Å; Q596-V600 VanDerWaalsContact O-N 3.12Å; I597-V600 VanDerWaalsContact O-CG2 3.29Å; I597-V600 WeakPolarHBondContact O-CG2 3.38Å; I597-V600 PolarHBondContact O-N 2.76Å; V600-E603 WeakPolarHBondContact O-CB 3.44Å; V600-P610 HydrophobicContact CB-CG 4.11Å; V600-P610 HydrophobicContact CG2-CG 4.12Å; V600-P610 WeakPolarHBondContact O-CD 3.21Å; V600-Y618 HydrophobicContact CG2-CE2 4.11Å
601C98Very high95.9Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-70.9-37.5175.8-71.80000112.4I545 W546 I597 I598 E603 R609I545-C601 HydrophobicContact CG2-CB 4.17Å; W546-C601 WeakPolarHBondContact CA-O 3.32Å; I597-C601 WeakPolarHBondContact O-CB 3.37Å; I597-C601 PolarHBondContact O-N 2.98Å; I597-C601 PolarHBondContact O-SG 3.27Å; I598-C601 PolarHBondContact O-N 3.48Å; C601-E603 VanDerWaalsContact C-N 3.26Å; C601-E603 PolarHBondContact O-N 3.37Å; C601-R609 VanDerWaalsContact O-CD 3.3Å; C601-R609 WeakPolarHBondContact O-CD 3.26Å; C601-R609 PolarHBondContact O-NE 3.48Å
602L97.9Very high96.1Very high3 Ų346.5 Ų46.52%0.01624%0.241CC..THydrogen-bonded Turntrans-91.826.8178.8-59.5-173.8000112.7W546 P561 F562 Y579 I598 Q599 P604W546-L602 HydrophobicContact CD2-CD2 3.94Å; W546-L602 HydrophobicContact CE3-CB 4.5Å; W546-L602 HydrophobicContact CE3-CD2 4.17Å; W546-L602 HydrophobicContact CG-CD2 4.32Å; W546-L602 HydrophobicContact CZ3-CB 4.31Å; W546-L602 WeakPolarHBondContact CZ3-O 3.26Å; W546-L602 WeakPolarHBondContact O-CD2 3.48Å; P561-L602 HydrophobicContact CB-CD1 3.97Å; P561-L602 HydrophobicContact CG-CD1 3.95Å; F562-L602 HydrophobicContact CE2-CD1 4.22Å; F562-L602 HydrophobicContact CE2-CD2 4.17Å; F562-L602 HydrophobicContact CZ-CD1 4.17Å; Y579-L602 HydrophobicContact CD1-CD1 4.12Å; Y579-L602 HydrophobicContact CD2-CD1 4.4Å; Y579-L602 HydrophobicContact CE1-CB 3.89Å; Y579-L602 HydrophobicContact CE1-CD1 3.79Å; Y579-L602 HydrophobicContact CE2-CD1 4.09Å; Y579-L602 HydrophobicContact CG-CD1 4.41Å; I598-L602 HydrophobicContact CG2-CD1 3.6Å; I598-L602 HydrophobicContact CG2-CG 4.11Å; I598-L602 VanDerWaalsContact O-CB 3.26Å; I598-L602 WeakPolarHBondContact O-CB 3.2Å; I598-L602 WeakPolarHBondContact O-CG 3.47Å; I598-L602 PolarHBondContact O-N 3.08Å; Q599-L602 CarbonylContact O-C 3.5Å; Q599-L602 PolarHBondContact O-N 3.41Å; L602-P604 VanDerWaalsContact O-CD 3.31Å; L602-P604 WeakPolarHBondContact O-CD 3.43Å
603E97.3Very high96.2Very high68 Ų6845 Ų4532%0.31824%0.236SC..  trans-68.1119.6171176.348.6-116.800110Q599 V600 C601 D605 Q608 R609Q599-E603 PolarHBondContact O-N 2.86Å; V600-E603 WeakPolarHBondContact O-CB 3.44Å; C601-E603 VanDerWaalsContact C-N 3.26Å; C601-E603 PolarHBondContact O-N 3.37Å; E603-D605 PolarHBondContact O-N 3.17Å; E603-D605 PolarHBondContact OE1-N 3.07Å; E603-D605 VanDerWaalsContact OE1-N 3.13Å; E603-Q608 HydrophobicContact CG-CB 3.63Å; E603-R609 HydrophobicContact CB-CB 4.32Å; E603-R609 HydrophobicContact CB-CG 4.49Å; E603-R609 PolarHBondContact O-NE 2.85Å; E603-R609 PolarHBondContact O-NH2 3.03Å
604P95.8Very high96.2Very high41 Ų4144.1 Ų44.127%0.26624%0.236SC..SBendtrans-64-34.2-177.8-27.337.6000114.7P531 L602 P606P531-P604 HydrophobicContact CG-CB 4.33Å; L602-P604 VanDerWaalsContact O-CD 3.31Å; L602-P604 WeakPolarHBondContact O-CD 3.43Å; P604-P606 VanDerWaalsContact O-CD 3.29Å; P604-P606 WeakPolarHBondContact O-CD 3.48Å
605D95Very high96.3Very high64 Ų6444.1 Ų44.134%0.34224%0.236SC..SBendtrans-77.1112174.6-176.8-5.2000110.2E603 I607 Q608 R609E603-D605 PolarHBondContact O-N 3.17Å; E603-D605 PolarHBondContact OE1-N 3.07Å; E603-D605 VanDerWaalsContact OE1-N 3.13Å; D605-I607 PolarHBondContact O-N 3.45Å; D605-I607 VanDerWaalsContact O-N 3.09Å; D605-I607 WeakPolarHBondContact OD1-CB 3.16Å; D605-I607 PolarHBondContact OD1-N 3.31Å; D605-Q608 HydrophobicContact CB-CB 4.2Å; D605-Q608 HydrophobicContact CB-CG 3.98Å; D605-Q608 PolarHBondContact O-N 3.47Å; D605-Q608 WeakPolarHBondContact OD2-CG 3.28Å; D605-R609 PolarHBondContact O-N 3.09Å; D605-R609 VanDerWaalsContact O-N 3.13Å
606P92.7Very high96.2Very high56 Ų5644.8 Ų44.836%0.36424%0.242SC..THydrogen-bonded Turntrans-62.9-19-178.527.8-36.2000113.6P604P604-P606 VanDerWaalsContact O-CD 3.29Å; P604-P606 WeakPolarHBondContact O-CD 3.48Å
607I92.5Very high96.2Very high144 Ų14444.5 Ų44.574%0.73825%0.246SC*.THydrogen-bonded Turntrans-77.7-33.4177.1-59.2173.6000110.9D605D605-I607 PolarHBondContact O-N 3.45Å; D605-I607 VanDerWaalsContact O-N 3.09Å; D605-I607 WeakPolarHBondContact OD1-CB 3.16Å; D605-I607 PolarHBondContact OD1-N 3.31Å
608Q96.3Very high96Very high132 Ų13249 Ų4962%0.61726%0.264SS*.THydrogen-bonded Turntrans-82.8-19.7177.1-60.3-57.7-36.400112.4E603 D605E603-Q608 HydrophobicContact CG-CB 3.63Å; D605-Q608 HydrophobicContact CB-CB 4.2Å; D605-Q608 HydrophobicContact CB-CG 3.98Å; D605-Q608 PolarHBondContact O-N 3.47Å; D605-Q608 WeakPolarHBondContact OD2-CG 3.28Å
609R96.8Very high95.7Very high13 Ų1349 Ų495%0.04926%0.264CS..SBendtrans-65.4128.3176.5-161179.7-59142.811.2110.1E532 G542 I545 C601 E603 D605E532-R609 IonicContact OE1-CZ 3.89Å; E532-R609 IonicContact OE1-NH1 3.56Å; E532-R609 PolarHBondContact OE1-NH1 3.41Å; E532-R609 IonicContact OE1-NH2 3.8Å; E532-R609 IonicContact OE2-CZ 2.67Å; E532-R609 IonicContact OE2-NH1 3.08Å; E532-R609 IonicContact OE2-NH2 3.23Å; E532-R609 PolarHBondContact OE2-NH2 3.25Å; G542-R609 VanDerWaalsContact O-CD 3.25Å; G542-R609 WeakPolarHBondContact O-CD 3.4Å; G542-R609 PolarHBondContact O-NH1 3.26Å; I545-R609 HydrophobicContact CB-CG 4.3Å; I545-R609 HydrophobicContact CG2-CG 3.9Å; C601-R609 VanDerWaalsContact O-CD 3.3Å; C601-R609 WeakPolarHBondContact O-CD 3.26Å; C601-R609 PolarHBondContact O-NE 3.48Å; E603-R609 HydrophobicContact CB-CB 4.32Å; E603-R609 HydrophobicContact CB-CG 4.49Å; E603-R609 PolarHBondContact O-NE 2.85Å; E603-R609 PolarHBondContact O-NH2 3.03Å; D605-R609 PolarHBondContact O-N 3.09Å; D605-R609 VanDerWaalsContact O-N 3.13Å
610P96.8Very high95.2Very high29 Ų2947.3 Ų47.319%0.18826%0.261CS..PPolyproline II helixtrans-67.5154.3-179.629.2-35000111V600 V615V600-P610 HydrophobicContact CB-CG 4.11Å; V600-P610 HydrophobicContact CG2-CG 4.12Å; V600-P610 WeakPolarHBondContact O-CD 3.21Å; P610-V615 HydrophobicContact CB-CG2 4.41Å; P610-V615 HydrophobicContact CG-CG2 3.84Å
611D96.7Very high94.7Very high57 Ų5750.1 Ų50.131%0.30528%0.282SS..PPolyproline II helixtrans-72.6173.1164.473.811000111.5K479 E541 T613 G614 V615K479-D611 VanDerWaalsContact CE-OD2 3.26Å; K479-D611 WeakPolarHBondContact CE-OD2 3.49Å; K479-D611 IonicContact NZ-OD2 3.09Å; K479-D611 PolarHBondContact NZ-OD2 3.14Å; E541-D611 WeakPolarHBondContact OE1-CB 3.18Å; D611-T613 PolarHBondContact O-N 3.37Å; D611-T613 VanDerWaalsContact O-N 3.12Å; D611-T613 WeakPolarHBondContact OD1-CA 3.46Å; D611-T613 WeakPolarHBondContact OD1-CB 3.48Å; D611-T613 PolarHBondContact OD1-N 3.13Å; D611-G614 WeakPolarHBondContact O-CA 3.46Å; D611-G614 PolarHBondContact O-N 3.26Å; D611-G614 PolarHBondContact OD1-N 3.2Å; D611-V615 PolarHBondContact O-N 3.37Å
612I96.8Very high94.1Very high0 Ų052.8 Ų52.80%030%0.297CS..Hα-helixtrans-60.6-25.1-178.8-164.959.6000113.5I471 L474 R475 H478 K479 I545 L548 A616I471-I612 HydrophobicContact CB-CD1 4.41Å; I471-I612 HydrophobicContact CG1-CD1 4.19Å; I471-I612 HydrophobicContact CG2-CD1 4.32Å; I471-I612 HydrophobicContact CG2-CG1 4.29Å; L474-I612 HydrophobicContact CB-CD1 3.85Å; L474-I612 HydrophobicContact CB-CG1 3.85Å; L474-I612 HydrophobicContact CD1-CD1 4.13Å; R475-I612 HydrophobicContact CB-CG1 4.27Å; R475-I612 HydrophobicContact CB-CG2 4.06Å; R475-I612 HydrophobicContact CG-CG2 4.25Å; H478-I612 HydrophobicContact CB-CG2 4.24Å; K479-I612 HydrophobicContact CG-CG2 4.19Å; I545-I612 HydrophobicContact CD1-CB 3.83Å; I545-I612 HydrophobicContact CD1-CD1 3.77Å; I545-I612 HydrophobicContact CD1-CG1 4.4Å; L548-I612 HydrophobicContact CD2-CD1 3.72Å; I612-A616 WeakPolarHBondContact O-CB 3.45Å; I612-A616 PolarHBondContact O-N 3.22Å; I612-A616 VanDerWaalsContact O-N 3.11Å
613T95Very high93.5Very high65 Ų6554.1 Ų54.140%0.39930%0.303SS..Hα-helixtrans-75.7-41.3175.2-58.90000110.5D611 V615 A616 T617D611-T613 PolarHBondContact O-N 3.37Å; D611-T613 VanDerWaalsContact O-N 3.12Å; D611-T613 WeakPolarHBondContact OD1-CA 3.46Å; D611-T613 WeakPolarHBondContact OD1-CB 3.48Å; D611-T613 PolarHBondContact OD1-N 3.13Å; T613-V615 VanDerWaalsContact C-N 3.35Å; T613-V615 PolarHBondContact O-N 3.47Å; T613-A616 WeakPolarHBondContact O-CB 3.32Å; T613-A616 PolarHBondContact O-N 3.5Å; T613-A616 VanDerWaalsContact O-N 3.15Å; T613-T617 WeakPolarHBondContact O-CG2 3.34Å; T613-T617 PolarHBondContact O-N 3.34Å; T613-T617 VanDerWaalsContact O-N 3.1Å
614G96.2Very high92.9Very high20 Ų2055.2 Ų55.221%0.20631%0.311CS..Hα-helixtrans-56.4-46.3170.900000111.9D611 A616 T617 Y618D611-G614 WeakPolarHBondContact O-CA 3.46Å; D611-G614 PolarHBondContact O-N 3.26Å; D611-G614 PolarHBondContact OD1-N 3.2Å; G614-A616 VanDerWaalsContact C-N 3.33Å; G614-A616 PolarHBondContact O-N 3Å; G614-T617 WeakPolarHBondContact O-CB 3.47Å; G614-T617 PolarHBondContact O-N 3Å; G614-T617 PolarHBondContact O-OG1 3.17Å; G614-Y618 WeakPolarHBondContact O-CD2 3.43Å
615V96.7Very high92.3Very high0 Ų056.9 Ų56.90%032%0.324CS..Hα-helixtrans-59.7-44173.9179.30000111.3F467 I471 I545 I597 P610 D611 T613 T617 Y618F467-V615 HydrophobicContact CE1-CG1 4.09Å; F467-V615 HydrophobicContact CZ-CG1 4.22Å; I471-V615 HydrophobicContact CD1-CG1 4.1Å; I471-V615 HydrophobicContact CG1-CG1 4.45Å; I545-V615 HydrophobicContact CG2-CG2 3.94Å; I597-V615 HydrophobicContact CG2-CG1 4.21Å; P610-V615 HydrophobicContact CB-CG2 4.41Å; P610-V615 HydrophobicContact CG-CG2 3.84Å; D611-V615 PolarHBondContact O-N 3.37Å; T613-V615 VanDerWaalsContact C-N 3.35Å; T613-V615 PolarHBondContact O-N 3.47Å; V615-T617 PolarHBondContact O-N 3.46Å; V615-Y618 PolarHBondContact O-N 2.85Å
616A94.3Very high91.6Very high17 Ų1756.1 Ų56.114%0.1432%0.318CS..Hα-helixtrans-61.8-27.4179.100000113.4I471 I612 T613 G614 Y618 L619 T620 I623I471-A616 HydrophobicContact CG2-CB 3.79Å; I612-A616 WeakPolarHBondContact O-CB 3.45Å; I612-A616 PolarHBondContact O-N 3.22Å; I612-A616 VanDerWaalsContact O-N 3.11Å; T613-A616 WeakPolarHBondContact O-CB 3.32Å; T613-A616 PolarHBondContact O-N 3.5Å; T613-A616 VanDerWaalsContact O-N 3.15Å; G614-A616 VanDerWaalsContact C-N 3.33Å; G614-A616 PolarHBondContact O-N 3Å; A616-Y618 VanDerWaalsContact C-N 3.26Å; A616-Y618 PolarHBondContact O-N 2.94Å; A616-L619 CarbonylContact O-C 3.49Å; A616-L619 PolarHBondContact O-N 3.3Å; A616-T620 PolarHBondContact O-N 3.42Å; A616-I623 HydrophobicContact CB-CD1 4.16Å
617T94.5Very high91.1Very high84 Ų8458.3 Ų58.352%0.51533%0.326SS..Hα-helixtrans-60.8-35-179.8670000112.9T613 G614 V615 L619 T620T613-T617 WeakPolarHBondContact O-CG2 3.34Å; T613-T617 PolarHBondContact O-N 3.34Å; T613-T617 VanDerWaalsContact O-N 3.1Å; G614-T617 WeakPolarHBondContact O-CB 3.47Å; G614-T617 PolarHBondContact O-N 3Å; G614-T617 PolarHBondContact O-OG1 3.17Å; V615-T617 PolarHBondContact O-N 3.46Å; T617-L619 PolarHBondContact O-N 3.37Å; T617-T620 WeakPolarHBondContact CA-OG1 3.27Å; T617-T620 PolarHBondContact O-N 3.42Å; T617-T620 PolarHBondContact O-OG1 3.47Å
618Y93.1Very high90.7Very high95 Ų9556 Ų5637%0.37332%0.315SS..THydrogen-bonded Turntrans-64.1-24.8177-69.5-90.1000113.2L593 I597 V600 G614 V615 A616L593-Y618 HydrophobicContact CD1-CD1 4.4Å; I597-Y618 HydrophobicContact CD1-CG 4.49Å; I597-Y618 HydrophobicContact CG1-CD1 4.31Å; I597-Y618 HydrophobicContact CG1-CG 3.97Å; V600-Y618 HydrophobicContact CG2-CE2 4.11Å; G614-Y618 WeakPolarHBondContact O-CD2 3.43Å; V615-Y618 PolarHBondContact O-N 2.85Å; A616-Y618 VanDerWaalsContact C-N 3.26Å; A616-Y618 PolarHBondContact O-N 2.94Å
619L91.9Very high90Very high0 Ų052 Ų520%030%0.304CS..THydrogen-bonded Turntrans-113.319.9-177.2-65.6170.1000112.2W464 F467 I468 I471 L593 I597 A616 T617 S621 D622 I623W464-L619 HydrophobicContact CD2-CD2 3.9Å; W464-L619 HydrophobicContact CE3-CD1 3.84Å; W464-L619 HydrophobicContact CE3-CD2 3.83Å; W464-L619 HydrophobicContact CG-CD2 4.49Å; W464-L619 HydrophobicContact CH2-CD2 4.28Å; W464-L619 HydrophobicContact CZ2-CD2 4.3Å; W464-L619 HydrophobicContact CZ3-CD1 3.96Å; W464-L619 HydrophobicContact CZ3-CD2 4.05Å; F467-L619 HydrophobicContact CD1-CD1 3.55Å; F467-L619 HydrophobicContact CE1-CD1 3.89Å; I468-L619 HydrophobicContact CG1-CD1 4.25Å; I471-L619 HydrophobicContact CD1-CD1 3.82Å; L593-L619 HydrophobicContact CD2-CD2 3.83Å; I597-L619 HydrophobicContact CD1-CD1 3.92Å; I597-L619 HydrophobicContact CD1-CD2 3.91Å; I597-L619 HydrophobicContact CD1-CG 3.69Å; A616-L619 CarbonylContact O-C 3.49Å; A616-L619 PolarHBondContact O-N 3.3Å; T617-L619 PolarHBondContact O-N 3.37Å; L619-S621 VanDerWaalsContact C-N 3.25Å; L619-S621 PolarHBondContact O-N 3.26Å; L619-D622 PolarHBondContact O-N 2.89Å; L619-I623 HydrophobicContact CB-CD1 4.25Å; L619-I623 HydrophobicContact CB-CG1 4.41Å; L619-I623 WeakPolarHBondContact O-CB 3.43Å; L619-I623 VanDerWaalsContact O-CG1 3.23Å; L619-I623 WeakPolarHBondContact O-CG1 3.46Å; L619-I623 PolarHBondContact O-N 3.3Å
620T88.3Confident89.2Confident71 Ų7155 Ų5544%0.43632%0.324SS..Hα-helixtrans-55.2-43.1-177.5-57.80000111.6A616 T617 I623 L624A616-T620 PolarHBondContact O-N 3.42Å; T617-T620 WeakPolarHBondContact CA-OG1 3.27Å; T617-T620 PolarHBondContact O-N 3.42Å; T617-T620 PolarHBondContact O-OG1 3.47Å; T620-I623 PolarHBondContact O-N 3.3Å; T620-L624 HydrophobicContact CG2-CD1 4.04Å; T620-L624 HydrophobicContact CG2-CG 4.46Å; T620-L624 WeakPolarHBondContact O-CB 3.48Å; T620-L624 VanDerWaalsContact O-CG 3.25Å; T620-L624 WeakPolarHBondContact O-CG 3.4Å; T620-L624 PolarHBondContact O-N 2.94Å
621S85.3Confident88.5Confident93 Ų9360.2 Ų60.265%0.6535%0.346SS*.Hα-helixtrans-61.7-49.1178.6-176.60000111.9L619 L624 S625L619-S621 VanDerWaalsContact C-N 3.25Å; L619-S621 PolarHBondContact O-N 3.26Å; S621-L624 PolarHBondContact O-N 3.33Å; S621-S625 PolarHBondContact O-N 2.96Å
622D86.5Confident87.7Confident57 Ų5760.7 Ų60.731%0.30535%0.354SS..Hα-helixtrans-64.4-41179.8-56.9-88.2000112I468 L619 S625 Q626I468-D622 HydrophobicContact CD1-CB 3.75Å; L619-D622 PolarHBondContact O-N 2.89Å; D622-S625 PolarHBondContact O-N 3.01Å; D622-Q626 PolarHBondContact O-N 3.07Å
623I86.1Confident86.8Confident30 Ų3067.4 Ų67.415%0.15438%0.383CS..Hα-helixtrans-61.3-45.9175.4-68.4166.8000110.7I468 A616 L619 T620 Q626 L627I468-I623 HydrophobicContact CD1-CG1 4.16Å; I468-I623 HydrophobicContact CG1-CG1 4.05Å; I468-I623 HydrophobicContact CG2-CG1 3.92Å; A616-I623 HydrophobicContact CB-CD1 4.16Å; L619-I623 HydrophobicContact CB-CD1 4.25Å; L619-I623 HydrophobicContact CB-CG1 4.41Å; L619-I623 WeakPolarHBondContact O-CB 3.43Å; L619-I623 VanDerWaalsContact O-CG1 3.23Å; L619-I623 WeakPolarHBondContact O-CG1 3.46Å; L619-I623 PolarHBondContact O-N 3.3Å; T620-I623 PolarHBondContact O-N 3.3Å; I623-Q626 PolarHBondContact O-N 3.46Å; I623-L627 HydrophobicContact CG2-CD1 4.11Å; I623-L627 WeakPolarHBondContact O-CG 3.32Å; I623-L627 PolarHBondContact O-N 3.5Å
624L83.2Confident86Confident92 Ų9267.2 Ų67.248%0.48238%0.384SS..Hα-helixtrans-62.8-42.6177.5-72.3172.8000111.4T620 S621 Q626 L627 D628T620-L624 HydrophobicContact CG2-CD1 4.04Å; T620-L624 HydrophobicContact CG2-CG 4.46Å; T620-L624 WeakPolarHBondContact O-CB 3.48Å; T620-L624 VanDerWaalsContact O-CG 3.25Å; T620-L624 WeakPolarHBondContact O-CG 3.4Å; T620-L624 PolarHBondContact O-N 2.94Å; S621-L624 PolarHBondContact O-N 3.33Å; L624-Q626 PolarHBondContact O-N 3.35Å; L624-L627 WeakPolarHBondContact O-CB 3.38Å; L624-L627 PolarHBondContact O-N 3.19Å; L624-D628 PolarHBondContact O-N 3.16Å
625S83.3Confident85.2Confident76 Ų7669.2 Ų69.253%0.53140%0.398SS..Hα-helixtrans-60.4-43.8176.3-170.60000112.6S621 D622 L627 D628 A629S621-S625 PolarHBondContact O-N 2.96Å; D622-S625 PolarHBondContact O-N 3.01Å; S625-L627 VanDerWaalsContact C-N 3.34Å; S625-L627 PolarHBondContact O-N 3.45Å; S625-D628 PolarHBondContact O-N 3.17Å; S625-A629 WeakPolarHBondContact O-CB 3.23Å; S625-A629 PolarHBondContact O-N 3.24Å
626Q81.5Confident84.3Confident48 Ų4876.5 Ų76.522%0.22443%0.43CS..Hα-helixtrans-65.6-35.6175.8-74.5-172.95.200112.7D465 D622 I623 L624 T630D465-Q626 PolarHBondContact OD1-NE2 2.78Å; D622-Q626 PolarHBondContact O-N 3.07Å; I623-Q626 PolarHBondContact O-N 3.46Å; L624-Q626 PolarHBondContact O-N 3.35Å; Q626-T630 VanDerWaalsContact O-CB 3.32Å; Q626-T630 WeakPolarHBondContact O-CB 3.19Å; Q626-T630 PolarHBondContact O-N 3.39Å; Q626-T630 PolarHBondContact O-OG1 2.95Å
627L81.8Confident83.4Confident101 Ų10180.9 Ų80.953%0.52945%0.45SS..Hα-helixtrans-64.6-46.3174.6-75.2170.6000111.3I623 L624 S625 A629 T630 Q631I623-L627 HydrophobicContact CG2-CD1 4.11Å; I623-L627 WeakPolarHBondContact O-CG 3.32Å; I623-L627 PolarHBondContact O-N 3.5Å; L624-L627 WeakPolarHBondContact O-CB 3.38Å; L624-L627 PolarHBondContact O-N 3.19Å; S625-L627 VanDerWaalsContact C-N 3.34Å; S625-L627 PolarHBondContact O-N 3.45Å; L627-A629 PolarHBondContact O-N 3.23Å; L627-T630 PolarHBondContact O-N 3.16Å; L627-Q631 WeakPolarHBondContact O-CB 3.2Å; L627-Q631 PolarHBondContact O-N 3.04Å
628D84Confident82.5Confident97 Ų9783.9 Ų83.952%0.51946%0.456SS..Hα-helixtrans-61.8-43.3177.6-70.9-22.7000111.8L624 S625 T630 Q631 S632L624-D628 PolarHBondContact O-N 3.16Å; S625-D628 PolarHBondContact O-N 3.17Å; D628-T630 VanDerWaalsContact C-N 3.32Å; D628-T630 PolarHBondContact O-N 3.12Å; D628-Q631 PolarHBondContact O-N 2.87Å; D628-S632 WeakPolarHBondContact O-CB 3.42Å; D628-S632 PolarHBondContact O-N 3.14Å; D628-S632 PolarHBondContact O-OG 3.43Å
629A81.2Confident81.8Confident47 Ų4781.1 Ų81.139%0.38846%0.456SS..Hα-helixtrans-61.6-41.3175.300000111.5S625 L627 K633S625-A629 WeakPolarHBondContact O-CB 3.23Å; S625-A629 PolarHBondContact O-N 3.24Å; L627-A629 PolarHBondContact O-N 3.23Å; A629-K633 WeakPolarHBondContact O-CG 3.48Å; A629-K633 PolarHBondContact O-N 2.9Å
630T80.3Confident81.1Confident76 Ų7687.5 Ų87.547%0.46648%0.484SS..Hα-helixtrans-69.3-43.4178-600000111.5Q626 L627 D628 S632 K633 C634Q626-T630 VanDerWaalsContact O-CB 3.32Å; Q626-T630 WeakPolarHBondContact O-CB 3.19Å; Q626-T630 PolarHBondContact O-N 3.39Å; Q626-T630 PolarHBondContact O-OG1 2.95Å; L627-T630 PolarHBondContact O-N 3.16Å; D628-T630 VanDerWaalsContact C-N 3.32Å; D628-T630 PolarHBondContact O-N 3.12Å; T630-S632 VanDerWaalsContact C-N 3.3Å; T630-S632 PolarHBondContact O-N 3.37Å; T630-K633 PolarHBondContact O-N 3.42Å; T630-C634 WeakPolarHBondContact O-CB 3.28Å; T630-C634 PolarHBondContact O-N 2.78Å; T630-C634 PolarHBondContact O-SG 3.32Å; T630-C634 VanDerWaalsContact O-SG 3.36Å
631Q81Confident80.4Confident139 Ų13988.7 Ų88.765%0.6549%0.487SS*.Hα-helixtrans-61.2-40.7176.2-175.4170.4-4.900111.2L627 D628 C634 A635L627-Q631 WeakPolarHBondContact O-CB 3.2Å; L627-Q631 PolarHBondContact O-N 3.04Å; D628-Q631 PolarHBondContact O-N 2.87Å; Q631-C634 PolarHBondContact O-N 2.89Å; Q631-A635 WeakPolarHBondContact O-CB 3.33Å; Q631-A635 PolarHBondContact O-N 3.38Å
632S79.9Confident79.8Confident66 Ų6690.9 Ų90.946%0.46249%0.485SS..Hα-helixtrans-62.6-44174.2-63.70000112.4D628 T630 A635 K636D628-S632 WeakPolarHBondContact O-CB 3.42Å; D628-S632 PolarHBondContact O-N 3.14Å; D628-S632 PolarHBondContact O-OG 3.43Å; T630-S632 VanDerWaalsContact C-N 3.3Å; T630-S632 PolarHBondContact O-N 3.37Å; S632-A635 PolarHBondContact O-N 3.41Å; S632-K636 WeakPolarHBondContact O-CG 3.41Å; S632-K636 PolarHBondContact O-N 3.35Å
633K79.6Confident79.1Confident141 Ų14194.4 Ų94.461%0.61350%0.499SS*.Hα-helixtrans-62.2-46174.2-74.2174.3-176.6174.10111.3A629 T630 A635 K636 I637A629-K633 WeakPolarHBondContact O-CG 3.48Å; A629-K633 PolarHBondContact O-N 2.9Å; T630-K633 PolarHBondContact O-N 3.42Å; K633-A635 VanDerWaalsContact C-N 3.35Å; K633-A635 PolarHBondContact O-N 2.85Å; K633-K636 PolarHBondContact O-N 3.35Å; K633-I637 WeakPolarHBondContact O-CG1 3.35Å; K633-I637 PolarHBondContact O-N 3.38Å
634C77.9Confident78.2Confident61 Ų6198.3 Ų98.341%0.41252%0.515SS..Hα-helixtrans-61.5-40.8176.8-74.70000112.3T630 Q631 I637 K638T630-C634 WeakPolarHBondContact O-CB 3.28Å; T630-C634 PolarHBondContact O-N 2.78Å; T630-C634 PolarHBondContact O-SG 3.32Å; T630-C634 VanDerWaalsContact O-SG 3.36Å; Q631-C634 PolarHBondContact O-N 2.89Å; C634-I637 PolarHBondContact O-N 2.97Å; C634-K638 WeakPolarHBondContact O-CB 3.48Å; C634-K638 WeakPolarHBondContact O-CG 3.42Å; C634-K638 PolarHBondContact O-N 3Å
635A78.1Confident77.3Confident62 Ų6299 Ų9951%0.51252%0.516SS..Hα-helixtrans-63.4-43.4175.700000111.6Q631 S632 K633 K638 G639Q631-A635 WeakPolarHBondContact O-CB 3.33Å; Q631-A635 PolarHBondContact O-N 3.38Å; S632-A635 PolarHBondContact O-N 3.41Å; K633-A635 VanDerWaalsContact C-N 3.35Å; K633-A635 PolarHBondContact O-N 2.85Å; A635-K638 PolarHBondContact O-N 2.85Å; A635-G639 PolarHBondContact O-N 2.58Å
636K77.8Confident76.1Confident153 Ų153100.8 Ų100.867%0.66552%0.52SS*.Hα-helixtrans-61-45.1174.2-72.5175.5-177.9-179.60112.2S632 K633 G639 K640S632-K636 WeakPolarHBondContact O-CG 3.41Å; S632-K636 PolarHBondContact O-N 3.35Å; K633-K636 PolarHBondContact O-N 3.35Å; K636-G639 PolarHBondContact O-N 3.41Å; K636-K640 PolarHBondContact O-N 3.41Å
637I75.3Confident74.8Confident109 Ų109102 Ų10256%0.55953%0.531SS*.Hα-helixtrans-64.6-45.2177.8-67.3168.7000110.5K633 C634 G639 K640 L641K633-I637 WeakPolarHBondContact O-CG1 3.35Å; K633-I637 PolarHBondContact O-N 3.38Å; C634-I637 PolarHBondContact O-N 2.97Å; I637-G639 VanDerWaalsContact C-N 3.3Å; I637-G639 PolarHBondContact O-N 3.26Å; I637-K640 PolarHBondContact O-N 2.79Å; I637-L641 WeakPolarHBondContact O-CB 3.48Å; I637-L641 PolarHBondContact O-N 3.07Å
638K77.2Confident73.4Confident148 Ų148102.2 Ų102.264%0.64353%0.531SS*.Hα-helixtrans-61.1-38.4175-76.4179.9179-178.50112.1C634 A635 L641 K642C634-K638 WeakPolarHBondContact O-CB 3.48Å; C634-K638 WeakPolarHBondContact O-CG 3.42Å; C634-K638 PolarHBondContact O-N 3Å; A635-K638 PolarHBondContact O-N 2.85Å; K638-L641 PolarHBondContact O-N 3.05Å; K638-K642 WeakPolarHBondContact O-CG 3.43Å; K638-K642 PolarHBondContact O-N 3.31Å
639G77.8Confident71.7Confident36 Ų36101.7 Ų101.737%0.37153%0.531SS..Hα-helixtrans-60.5-51.8174.300000111.7A635 K636 I637 L641 K642 E643A635-G639 PolarHBondContact O-N 2.58Å; K636-G639 PolarHBondContact O-N 3.41Å; I637-G639 VanDerWaalsContact C-N 3.3Å; I637-G639 PolarHBondContact O-N 3.26Å; G639-L641 VanDerWaalsContact C-N 3.3Å; G639-L641 PolarHBondContact O-N 3.27Å; G639-K642 PolarHBondContact O-N 2.74Å; G639-E643 PolarHBondContact O-N 3.45Å
640K76.1Confident70Confident134 Ų134103.3 Ų103.358%0.58354%0.539SS*.Hα-helixtrans-57.9-43.3174-72-173.4175.8-1700111.9K636 I637 K642 E643 F644K636-K640 PolarHBondContact O-N 3.41Å; I637-K640 PolarHBondContact O-N 2.79Å; K640-K642 VanDerWaalsContact C-N 3.32Å; K640-K642 PolarHBondContact O-N 2.95Å; K640-E643 WeakPolarHBondContact O-CB 3.43Å; K640-E643 PolarHBondContact O-N 3.1Å; K640-F644 WeakPolarHBondContact O-CD2 3.33Å; K640-F644 PolarHBondContact O-N 3.26Å
641L74.2Confident68.3Low97 Ų97105.7 Ų105.751%0.50855%0.549SS..Hα-helixtrans-64.2-38.1-179.4-156.8124000111.9I637 K638 G639 Q645I637-L641 WeakPolarHBondContact O-CB 3.48Å; I637-L641 PolarHBondContact O-N 3.07Å; K638-L641 PolarHBondContact O-N 3.05Å; G639-L641 VanDerWaalsContact C-N 3.3Å; G639-L641 PolarHBondContact O-N 3.27Å; L641-Q645 WeakPolarHBondContact O-CB 3.22Å; L641-Q645 VanDerWaalsContact O-CG 3.32Å; L641-Q645 WeakPolarHBondContact O-CG 3.13Å; L641-Q645 PolarHBondContact O-N 3.16Å
642K73.5Confident66.3Low139 Ų139105.2 Ų105.260%0.60455%0.55SS*.Hα-helixtrans-66.5-42.7171.6-77.5-177.1176.6-172.40112.4K638 G639 K640 F644 Q645 N646K638-K642 WeakPolarHBondContact O-CG 3.43Å; K638-K642 PolarHBondContact O-N 3.31Å; G639-K642 PolarHBondContact O-N 2.74Å; K640-K642 VanDerWaalsContact C-N 3.32Å; K640-K642 PolarHBondContact O-N 2.95Å; K642-F644 VanDerWaalsContact C-N 3.34Å; K642-Q645 PolarHBondContact O-N 2.93Å; K642-N646 WeakPolarHBondContact O-CB 3.48Å; K642-N646 VanDerWaalsContact O-CG 3.25Å; K642-N646 PolarHBondContact O-N 2.89Å
643E71.5Confident64.3Low130 Ų130106.7 Ų106.761%0.60756%0.559SS**Hα-helixtrans-58.5-47.9175.8-168.1178.5-175.300110.4G639 K640 Q645 N646 T647G639-E643 PolarHBondContact O-N 3.45Å; K640-E643 WeakPolarHBondContact O-CB 3.43Å; K640-E643 PolarHBondContact O-N 3.1Å; E643-Q645 PolarHBondContact O-N 3.32Å; E643-N646 PolarHBondContact O-N 2.75Å; E643-T647 PolarHBondContact O-N 2.9Å; E643-T647 PolarHBondContact O-OG1 3.09Å
644F66.6Low61.9Low112 Ų112104 Ų10449%0.49156%0.557SS.*Hα-helixtrans-60.1-44.6173.8-84.9-69.2000113.1K640 K642 N646 T647 I648 I695K640-F644 WeakPolarHBondContact O-CD2 3.33Å; K640-F644 PolarHBondContact O-N 3.26Å; K642-F644 VanDerWaalsContact C-N 3.34Å; F644-N646 VanDerWaalsContact C-N 3.3Å; F644-N646 PolarHBondContact O-N 3.34Å; F644-T647 PolarHBondContact O-N 3.25Å; F644-I648 WeakPolarHBondContact O-CG1 3.3Å; F644-I648 PolarHBondContact O-N 3.19Å; F644-I648 VanDerWaalsContact O-N 3.07Å; F644-I695 HydrophobicContact CE2-CD1 4.16Å; F644-I695 HydrophobicContact CZ-CD1 3.76Å
645Q65.4Low59.7Low107 Ų107106 Ų10650%0.557%0.569SS.*Hα-helixtrans-60.4-41.2175.5-79.2176.5-22.500111.5L641 K642 E643 I648 V649L641-Q645 WeakPolarHBondContact O-CB 3.22Å; L641-Q645 VanDerWaalsContact O-CG 3.32Å; L641-Q645 WeakPolarHBondContact O-CG 3.13Å; L641-Q645 PolarHBondContact O-N 3.16Å; K642-Q645 PolarHBondContact O-N 2.93Å; E643-Q645 PolarHBondContact O-N 3.32Å; Q645-I648 PolarHBondContact O-N 2.93Å; Q645-V649 WeakPolarHBondContact O-CG2 3.37Å; Q645-V649 PolarHBondContact O-N 3.37Å
646N58.5Low57.4Low113 Ų113111.3 Ų111.360%0.60458%0.581SS**Hα-helixtrans-68.1-35.2177.4-70.4-10.8000112.5K642 E643 F644 V649 C650K642-N646 WeakPolarHBondContact O-CB 3.48Å; K642-N646 VanDerWaalsContact O-CG 3.25Å; K642-N646 PolarHBondContact O-N 2.89Å; E643-N646 PolarHBondContact O-N 2.75Å; F644-N646 VanDerWaalsContact C-N 3.3Å; F644-N646 PolarHBondContact O-N 3.34Å; N646-V649 PolarHBondContact O-N 3Å; N646-C650 WeakPolarHBondContact O-CB 3.4Å; N646-C650 PolarHBondContact O-N 2.97Å
647T54.2Low55.2Low75 Ų75112.8 Ų112.846%0.4659%0.588SS.*Hα-helixtrans-62.6-44.6173.6-43.50000110.9E643 F644 V649 C650 D651E643-T647 PolarHBondContact O-N 2.9Å; E643-T647 PolarHBondContact O-OG1 3.09Å; F644-T647 PolarHBondContact O-N 3.25Å; T647-V649 VanDerWaalsContact C-N 3.33Å; T647-V649 PolarHBondContact O-N 3.31Å; T647-C650 PolarHBondContact O-N 3.03Å; T647-D651 PolarHBondContact O-N 3.47Å
648I52.3Low53.1Low104 Ų104116.8 Ų116.853%0.53360%0.603SS.*Hα-helixtrans-62.6-40.7177.6-64.4166.2000110.9F644 Q645 L652F644-I648 WeakPolarHBondContact O-CG1 3.3Å; F644-I648 PolarHBondContact O-N 3.19Å; F644-I648 VanDerWaalsContact O-N 3.07Å; Q645-I648 PolarHBondContact O-N 2.93Å; I648-L652 HydrophobicContact CG2-CD1 3.82Å; I648-L652 WeakPolarHBondContact O-CD1 3.15Å; I648-L652 PolarHBondContact O-N 3.17Å
649V48.1Very low50.8Low87 Ų87113.9 Ų113.953%0.52760%0.602SS.*Hα-helixtrans-70.2-35179.71760000112.1Q645 N646 T647 L652 C653Q645-V649 WeakPolarHBondContact O-CG2 3.37Å; Q645-V649 PolarHBondContact O-N 3.37Å; N646-V649 PolarHBondContact O-N 3Å; T647-V649 VanDerWaalsContact C-N 3.33Å; T647-V649 PolarHBondContact O-N 3.31Å; V649-L652 PolarHBondContact O-N 2.87Å; V649-C653 WeakPolarHBondContact O-CB 3.37Å; V649-C653 PolarHBondContact O-N 3.4Å
650C45.5Very low48.4Very low80 Ų80118.5 Ų118.554%0.54162%0.623SS.*Hα-helixtrans-67.1-41.1178.7-159.40000112N646 T647 L652 C653 C654N646-C650 WeakPolarHBondContact O-CB 3.4Å; N646-C650 PolarHBondContact O-N 2.97Å; T647-C650 PolarHBondContact O-N 3.03Å; C650-L652 VanDerWaalsContact C-N 3.32Å; C650-L652 PolarHBondContact O-N 3.32Å; C650-C653 PolarHBondContact O-N 2.91Å; C650-C654 PolarHBondContact O-N 3.24Å
651D43Very low46.1Very low126 Ų126119.1 Ų119.167%0.67463%0.633SS**Hα-helixtrans-70.9-28.2179.7-71.4-16.4000112.5T647T647-D651 PolarHBondContact O-N 3.47Å
652L39.7Very low43.9Very low129 Ų129124 Ų12468%0.67565%0.653SS**Hα-helixtrans-82.7-28.7175.1-89.2131000113.7I648 V649 C650I648-L652 HydrophobicContact CG2-CD1 3.82Å; I648-L652 WeakPolarHBondContact O-CD1 3.15Å; I648-L652 PolarHBondContact O-N 3.17Å; V649-L652 PolarHBondContact O-N 2.87Å; C650-L652 VanDerWaalsContact C-N 3.32Å; C650-L652 PolarHBondContact O-N 3.32Å
653C37.1Very low41.7Very low97 Ų97125.7 Ų125.766%0.65566%0.663SS**Hα-helixtrans-88.7-1.7-179.1-80.10000115V649 C650V649-C653 WeakPolarHBondContact O-CB 3.37Å; V649-C653 PolarHBondContact O-N 3.4Å; C650-C653 PolarHBondContact O-N 2.91Å
654C29.4Very low39.6Very low85 Ų85126 Ų12657%0.57467%0.674SS**  trans-128.671.5173.3-78.80000113C650 F656C650-C654 PolarHBondContact O-N 3.24Å; C654-F656 PolarHBondContact O-N 2.99Å
655P31.4Very low37.6Very low103 Ų103132 Ų13267%0.66969%0.694SS**  trans-72.2-6.1171-11.827.8000113.9
656F31.8Very low35.8Very low174 Ų174134.4 Ų134.476%0.76371%0.706SS**  trans-125.776.5-170.9-75.1-87.8000112.6C654C654-F656 PolarHBondContact O-N 2.99Å
657K31Very low34.2Very low184 Ų184137.1 Ų137.180%0.871%0.712SS**SBendtrans-13439.9154.2-83.3-164.8178.3179.30111.7
658H31.1Very low33Very low192 Ų192142.4 Ų142.489%0.88973%0.731SS**  trans-144.853.3164.7-72.3-62.1000110.2
659S28.3Very low31.6Very low87 Ų87142.6 Ų142.661%0.60874%0.742SS**  trans-104.8100.4156.757.60000107.2D661S659-D661 VanDerWaalsContact C-N 3.29Å; S659-D661 PolarHBondContact O-N 3.21Å
660T28.5Very low30.5Very low133 Ų133143.7 Ų143.782%0.81675%0.749SS**  trans-58.189.1163.646.10000108.9
661D27.6Very low29.6Very low147 Ų147151.2 Ų151.279%0.78677%0.768SS**  trans-133.395.2160.5-87.7-37.8000108S659 Q663S659-D661 VanDerWaalsContact C-N 3.29Å; S659-D661 PolarHBondContact O-N 3.21Å; D661-Q663 PolarHBondContact O-N 3.42Å
662E27.7Very low28.7Very low199 Ų199151 Ų15193%0.9377%0.771SS**  trans-69.827.1178.4-76-174.5140.500113.7
663Q27.9Very low28.1Very low175 Ų175151.9 Ų151.982%0.81878%0.777SS**  trans-139.748.4-170.2-67.6-166.41.300115.9D661D661-Q663 PolarHBondContact O-N 3.42Å
664V27.4Very low27.7Very low137 Ų137154.5 Ų154.583%0.8378%0.784SS**  trans-148.870.2149.7-164.60000110.3E666V664-E666 PolarHBondContact O-N 3.38Å
665Y23.7Very low27.7Very low237 Ų237157.6 Ų157.693%0.92980%0.8SS**  trans-84.198.4157.1-114.3-91000106.7
666E27.1Very low27.5Very low159 Ų159161.9 Ų161.974%0.74381%0.808SS**  trans174.4139147.3-102.2175.7-165.300111.1V664V664-E666 PolarHBondContact O-N 3.38Å
667K26.3Very low27.3Very low170 Ų170160 Ų16074%0.73981%0.81SS**  trans75.387.3169.2-58.5172.1-176.1173.90116.2
668H27.5Very low27.3Very low185 Ų185159.4 Ų159.486%0.85682%0.815SS**  -166.379.8109.6-89.2-50.4000110.2T670H668-T670 PolarHBondContact O-N 3.48Å
669S23.1Very low27.2Very low108 Ų108156.5 Ų156.576%0.75581%0.806SS**  trans-67114.1151.855.30000108.4
670T26.4Very low27.3Very low110 Ų110156.4 Ų156.468%0.67581%0.806SS**  trans165.288.1147.939.60000107.3H668H668-T670 PolarHBondContact O-N 3.48Å
671Y25.5Very low27.5Very low239 Ų239157.9 Ų157.994%0.93781%0.809SS**  trans-174.754.5146.2-92.8-66.7000107.5
672T24.5Very low27.6Very low122 Ų122157.4 Ų157.475%0.74881%0.811SS**  trans-99.9109.2162.146.20000106.2
673N27.6Very low27.8Very low147 Ų147156.4 Ų156.479%0.78681%0.806SS**  trans177.7133.4143.8-87.5-19.6000108.9
674N27.5Very low27.9Very low152 Ų152157.4 Ų157.481%0.81381%0.808SS**  trans88.576.3165.5-46.7-26.5000117.1
675V29.4Very low28Very low149 Ų149158.4 Ų158.490%0.90381%0.806SS**  -148.3134.4119.1178.40000108.3
676K28.6Very low28.3Very low194 Ų194152.3 Ų152.384%0.84380%0.796SS**  trans-61143-170.4-70.1166.6170.7176.30113.6L678K676-L678 PolarHBondContact O-N 2.9Å
677V27Very low28.4Very low134 Ų134151 Ų15181%0.81280%0.799SS**  trans-45114.9161.9-1790000110.1
678L30.5Very low28.6Very low171 Ų171149.8 Ų149.890%0.89581%0.806SS**  trans-111.2119.4160.6-107.4146.3000106.4K676K676-L678 PolarHBondContact O-N 2.9Å
679D29.8Very low28.8Very low131 Ų131146.8 Ų146.870%0.70180%0.801SS**  trans-62.1132.2-168.7-107.3-47.2000114N681D679-N681 PolarHBondContact O-N 3.44Å
680S29.4Very low29.3Very low86 Ų86150.6 Ų150.660%0.60181%0.807SS**  trans2780.6134.354.80000118.8
681N32.5Very low29.8Very low164 Ų164152.9 Ų152.988%0.87781%0.813SS**  trans-150.172144.5-89.2-35.9000108.9D679 E683D679-N681 PolarHBondContact O-N 3.44Å; N681-E683 VanDerWaalsContact C-N 3.31Å; N681-E683 PolarHBondContact O-N 3.33Å; N681-E683 VanDerWaalsContact O-N 3.07Å
682V29.7Very low30.1Very low137 Ų137149.2 Ų149.283%0.8381%0.809SS**  trans-8083.7173.3-177.90000107.8K684V682-K684 PolarHBondContact O-N 3.15Å
683E31.6Very low30.7Very low178 Ų178148 Ų14883%0.83281%0.805SS**  trans-62.9121.4156.8-84-171.7153.600107.9N681 I685N681-E683 VanDerWaalsContact C-N 3.31Å; N681-E683 PolarHBondContact O-N 3.33Å; N681-E683 VanDerWaalsContact O-N 3.07Å; E683-I685 PolarHBondContact O-N 2.79Å
684K30.2Very low30.8Very low196 Ų196146.1 Ų146.185%0.85280%0.8SS**  trans-51.5106.2-179.5-70.1174.4176.6176.60110.1V682 P686V682-K684 PolarHBondContact O-N 3.15Å; K684-P686 VanDerWaalsContact O-CD 3.29Å; K684-P686 WeakPolarHBondContact O-CD 3.47Å
685I30.4Very low31.1Very low157 Ų157144.3 Ų144.381%0.80579%0.789SS**PPolyproline II helixtrans-65.6117.2168.4-60.1171.4000106.9E683E683-I685 PolarHBondContact O-N 2.79Å
686P30.6Very low31.3Very low110 Ų110143.2 Ų143.271%0.71478%0.782SS**PPolyproline II helixtrans-66.8138-178.624.8-30.1000110.7K684K684-P686 VanDerWaalsContact O-CD 3.29Å; K684-P686 WeakPolarHBondContact O-CD 3.47Å
687T29.1Very low31.7Very low130 Ų130139.1 Ų139.180%0.79877%0.768SS**PPolyproline II helixtrans-49.1132.1-178.237.20000113.2T689T687-T689 VanDerWaalsContact C-N 3.28Å; T687-T689 PolarHBondContact O-N 3.01Å
688T30.3Very low32.3Very low145 Ų145136.6 Ų136.689%0.8975%0.75SS**SBendtrans-64.959.2-169.4-42.60000115.2
689T31.2Very low33.1Very low122 Ų122136.2 Ų136.275%0.74874%0.744SS**  trans-133.412.8178.3-260000115.1T687T687-T689 VanDerWaalsContact C-N 3.28Å; T687-T689 PolarHBondContact O-N 3.01Å
690Q33.2Very low33.9Very low188 Ų188132.3 Ų132.388%0.87974%0.735SS**SBendtrans-12816.2-177.7-75.6-167.8-10.500117.6
691I36.6Very low34.7Very low159 Ų159134 Ų13482%0.81574%0.737SS**  trans-126.145.6172.2-40.3179.9000111.9S693I691-S693 PolarHBondContact O-N 3.19Å
692L32.4Very low35.1Very low162 Ų162130.9 Ų130.985%0.84872%0.72SS**  trans-92.652.1159.3-88.4158.4000109.7T694L692-T694 VanDerWaalsContact C-N 3.27Å; L692-T694 PolarHBondContact O-N 3.31Å
693S36.2Very low35.9Very low95 Ų95134.7 Ų134.766%0.66472%0.72SS**  trans-86.180.2161.962.10000107.7I691 I695I691-S693 PolarHBondContact O-N 3.19Å; S693-I695 PolarHBondContact O-N 2.86Å
694T29.7Very low36.7Very low109 Ų109134.4 Ų134.467%0.66972%0.718SS**  trans-49.6111.4170.2-450000108.5L692 T696L692-T694 VanDerWaalsContact C-N 3.27Å; L692-T694 PolarHBondContact O-N 3.31Å; T694-T696 VanDerWaalsContact C-N 3.28Å; T694-T696 PolarHBondContact O-N 3.21Å
695I35.1Very low37.5Very low114 Ų114130.4 Ų130.459%0.58571%0.705SS**  trans-71.494.5170.3-61.1177.3000106.2F644 S693 I697F644-I695 HydrophobicContact CE2-CD1 4.16Å; F644-I695 HydrophobicContact CZ-CD1 3.76Å; S693-I695 PolarHBondContact O-N 2.86Å; I695-I697 HydrophobicContact CG2-CG1 3.92Å; I695-I697 PolarHBondContact O-N 3.35Å; I695-I697 VanDerWaalsContact O-N 3.11Å
696T33.3Very low38.7Very low126 Ų126129.5 Ų129.577%0.77370%0.702SS**  trans-73.298166.2-7.70000106.8T694 N698T694-T696 VanDerWaalsContact C-N 3.28Å; T694-T696 PolarHBondContact O-N 3.21Å; T696-N698 PolarHBondContact O-N 3.18Å; T696-N698 VanDerWaalsContact O-N 3.14Å
697I36.1Very low40Very low107 Ų107127.8 Ų127.855%0.54969%0.687SS.*  trans-72.7106.5165.7-54.3177.1000105.4I695 Q699 L702I695-I697 HydrophobicContact CG2-CG1 3.92Å; I695-I697 PolarHBondContact O-N 3.35Å; I695-I697 VanDerWaalsContact O-N 3.11Å; I697-Q699 PolarHBondContact O-N 3.46Å; I697-L702 HydrophobicContact CG2-CD1 4.37Å; I697-L702 HydrophobicContact CG2-CD2 3.78Å; I697-L702 HydrophobicContact CG2-CG 3.84Å
698N41.4Very low41.5Very low81 Ų81125.4 Ų125.443%0.43367%0.674SS.*  trans-53.1118.7171.3-176.6-14.1000107.7T696 G700 N701T696-N698 PolarHBondContact O-N 3.18Å; T696-N698 VanDerWaalsContact O-N 3.14Å; N698-G700 PolarHBondContact O-N 2.75Å; N698-G700 PolarHBondContact OD1-N 3.05Å; N698-N701 WeakPolarHBondContact O-CB 3.05Å; N698-N701 PolarHBondContact O-N 3.27Å
699Q45.2Very low43Very low163 Ų163119.6 Ų119.676%0.76264%0.638SS**G310 helixtrans-58.3-23.6-179.8-71.6-147.9-6.100112I697 N701 L702I697-Q699 PolarHBondContact O-N 3.46Å; Q699-N701 PolarHBondContact O-N 3.5Å; Q699-L702 HydrophobicContact CG-CD1 4.26Å; Q699-L702 WeakPolarHBondContact O-CB 3.35Å; Q699-L702 PolarHBondContact O-N 3.46Å
700G47.7Very low44.5Very low50 Ų50117.4 Ų117.452%0.51562%0.621SS.*G310 helixtrans-65.3-19171.600000115.2N698N698-G700 PolarHBondContact O-N 2.75Å; N698-G700 PolarHBondContact OD1-N 3.05Å
701N45.5Very low46.1Very low121 Ų121110.5 Ų110.565%0.64760%0.601SS**G310 helixtrans-94.8-8.6175.5-70.9-9.8000112.9N698 Q699 R703N698-N701 WeakPolarHBondContact O-CB 3.05Å; N698-N701 PolarHBondContact O-N 3.27Å; Q699-N701 PolarHBondContact O-N 3.5Å; N701-R703 PolarHBondContact O-N 3.02Å
702L40.7Very low47.4Very low98 Ų98103.5 Ų103.551%0.51357%0.565SS.*SBendtrans-74.3116.7172.3-69.9170.3000107.8I697 Q699 E704I697-L702 HydrophobicContact CG2-CD1 4.37Å; I697-L702 HydrophobicContact CG2-CD2 3.78Å; I697-L702 HydrophobicContact CG2-CG 3.84Å; Q699-L702 HydrophobicContact CG-CD1 4.26Å; Q699-L702 WeakPolarHBondContact O-CB 3.35Å; Q699-L702 PolarHBondContact O-N 3.46Å; L702-E704 PolarHBondContact O-N 3.02Å; L702-E704 VanDerWaalsContact O-N 3.08Å
703R47.2Very low48.8Very low217 Ų21798.4 Ų98.482%0.81954%0.537SS*.  trans-61.6113.3174.4-73.9178.2175.1171.2-1.4108.5N701 I705N701-R703 PolarHBondContact O-N 3.02Å; R703-I705 PolarHBondContact O-N 2.88Å
704E48.1Very low50.1Low172 Ų17297 Ų9780%0.80453%0.525SS*.  trans-58108.5160.5-91.2-175.6156.700107.9L702 N706L702-E704 PolarHBondContact O-N 3.02Å; L702-E704 VanDerWaalsContact O-N 3.08Å; E704-N706 PolarHBondContact O-N 3.29Å; E704-N706 VanDerWaalsContact O-N 3.08Å
705I48Very low51.8Low113 Ų11393.2 Ų93.258%0.57950%0.502SS*.  trans-76.995.9171-59.5178.8000105.4R703 D707 L710R703-I705 PolarHBondContact O-N 2.88Å; I705-D707 HydrophobicContact CG2-CB 3.73Å; I705-D707 PolarHBondContact O-N 2.64Å; I705-L710 WeakPolarHBondContact O-CD2 3.45Å
706N54.4Low53Low138 Ų13888.3 Ų88.374%0.73848%0.477SS*.  trans-71.266.8167.4-76.1-12.1000109.5E704E704-N706 PolarHBondContact O-N 3.29Å; E704-N706 VanDerWaalsContact O-N 3.08Å
707D58.9Low54.4Low74 Ų7488.2 Ų88.240%0.39647%0.467SS..  trans-95.8123.2165.9-169.9-32.9000106.6I705 V709 L710I705-D707 HydrophobicContact CG2-CB 3.73Å; I705-D707 PolarHBondContact O-N 2.64Å; D707-V709 PolarHBondContact O-N 3.31Å; D707-V709 VanDerWaalsContact O-N 3.08Å; D707-V709 WeakPolarHBondContact OD1-CB 3.35Å; D707-V709 VanDerWaalsContact OD1-CG2 3.27Å; D707-V709 WeakPolarHBondContact OD1-CG2 3.49Å; D707-V709 PolarHBondContact OD1-N 2.89Å; D707-L710 HydrophobicContact CB-CB 4.35Å; D707-L710 WeakPolarHBondContact O-CB 3.4Å; D707-L710 PolarHBondContact O-N 2.85Å
708P59.8Low55.6Low80 Ų8088.9 Ų88.952%0.51947%0.466SS..Hα-helixtrans-55.4-25175.622.3-32.5000112.6L710 I768P708-L710 VanDerWaalsContact C-N 3.3Å; P708-L710 PolarHBondContact O-N 2.98Å; P708-I768 HydrophobicContact CB-CD1 4.38Å; P708-I768 HydrophobicContact CB-CG2 4.3Å
709V62.1Low56.3Low22 Ų2285.8 Ų85.813%0.13345%0.449CS..Hα-helixtrans-68.5-27.3173.3-177.60000112.1D707 G711 M712 I713 L764 I768D707-V709 PolarHBondContact O-N 3.31Å; D707-V709 VanDerWaalsContact O-N 3.08Å; D707-V709 WeakPolarHBondContact OD1-CB 3.35Å; D707-V709 VanDerWaalsContact OD1-CG2 3.27Å; D707-V709 WeakPolarHBondContact OD1-CG2 3.49Å; D707-V709 PolarHBondContact OD1-N 2.89Å; V709-G711 VanDerWaalsContact C-N 3.28Å; V709-G711 PolarHBondContact O-N 3.17Å; V709-M712 WeakPolarHBondContact O-CB 3.49Å; V709-M712 PolarHBondContact O-N 3.22Å; V709-M712 VanDerWaalsContact O-N 3.09Å; V709-I713 HydrophobicContact CG1-CD1 3.9Å; V709-I713 HydrophobicContact CG1-CG1 4.08Å; V709-I713 WeakPolarHBondContact O-CG1 3.35Å; V709-I713 PolarHBondContact O-N 2.7Å; V709-L764 HydrophobicContact CG1-CD1 3.81Å; V709-L764 HydrophobicContact CG1-CD2 4.27Å; V709-L764 HydrophobicContact CG1-CG 4.49Å; V709-I768 HydrophobicContact CB-CD1 4.31Å; V709-I768 HydrophobicContact CG2-CD1 3.74Å
710L63.6Low57Low76 Ų7678.3 Ų78.340%0.39842%0.416SS..Hα-helixtrans-63.6-35.8-179.6-165.273.3000111.8I705 D707 P708 M712 I713 T714I705-L710 WeakPolarHBondContact O-CD2 3.45Å; D707-L710 HydrophobicContact CB-CB 4.35Å; D707-L710 WeakPolarHBondContact O-CB 3.4Å; D707-L710 PolarHBondContact O-N 2.85Å; P708-L710 VanDerWaalsContact C-N 3.3Å; P708-L710 PolarHBondContact O-N 2.98Å; L710-M712 VanDerWaalsContact C-N 3.31Å; L710-M712 PolarHBondContact O-N 3.24Å; L710-I713 PolarHBondContact O-N 3.24Å; L710-T714 WeakPolarHBondContact O-CB 3.47Å; L710-T714 PolarHBondContact O-N 3.35Å; L710-T714 PolarHBondContact O-OG1 2.85Å
711G65.2Low57.5Low44 Ų4482.2 Ų82.245%0.45442%0.416SS..Hα-helixtrans-58.7-44.6172.900000111.4V709 T714 V715V709-G711 VanDerWaalsContact C-N 3.28Å; V709-G711 PolarHBondContact O-N 3.17Å; G711-T714 WeakPolarHBondContact O-CB 3.43Å; G711-T714 PolarHBondContact O-N 3.31Å; G711-V715 WeakPolarHBondContact O-CG2 3.44Å; G711-V715 PolarHBondContact O-N 3.4Å
712M64.8Low57.8Low12 Ų1277.7 Ų77.76%0.05939%0.392CS..Hα-helixtrans-66.4-45174.2-79-151.884.400113.2V709 L710 T714 V715 M716 L764 L767 I768 M818V709-M712 WeakPolarHBondContact O-CB 3.49Å; V709-M712 PolarHBondContact O-N 3.22Å; V709-M712 VanDerWaalsContact O-N 3.09Å; L710-M712 VanDerWaalsContact C-N 3.31Å; L710-M712 PolarHBondContact O-N 3.24Å; M712-T714 PolarHBondContact O-N 2.97Å; M712-V715 CarbonylContact O-C 3.5Å; M712-V715 WeakPolarHBondContact O-CB 3.43Å; M712-V715 PolarHBondContact O-N 2.98Å; M712-V715 VanDerWaalsContact O-N 3.11Å; M712-M716 WeakPolarHBondContact O-CB 3.41Å; M712-M716 VanDerWaalsContact O-CG 3.3Å; M712-M716 WeakPolarHBondContact O-CG 3.42Å; M712-M716 PolarHBondContact O-N 2.98Å; M712-L764 HydrophobicContact SD-CD2 3.96Å; M712-L767 HydrophobicContact CE-CB 3.5Å; M712-L767 HydrophobicContact CE-CD1 3.56Å; M712-L767 HydrophobicContact CE-CD2 3.89Å; M712-L767 HydrophobicContact CE-CG 3.85Å; M712-L767 HydrophobicContact SD-CB 3.36Å; M712-L767 WeakPolarHBondContact SD-CB 3.32Å; M712-L767 HydrophobicContact SD-CD1 3.96Å; M712-L767 HydrophobicContact SD-CG 4.23Å; M712-I768 HydrophobicContact CG-CD1 4.4Å; M712-I768 HydrophobicContact CG-CG1 3.64Å; M712-I768 HydrophobicContact SD-CD1 4.37Å; M712-I768 HydrophobicContact SD-CG1 3.59Å; M712-I768 VanDerWaalsContact SD-CG1 3.59Å; M712-M818 HydrophobicContact CE-CE 4.37Å; M712-M818 HydrophobicContact CE-SD 3.75Å
713I62Low58.3Low54 Ų5473.5 Ų73.528%0.27737%0.37SS..Hα-helixtrans-58.1-38.7176.6-68.1169000109.9V709 L710 M716 H717V709-I713 HydrophobicContact CG1-CD1 3.9Å; V709-I713 HydrophobicContact CG1-CG1 4.08Å; V709-I713 WeakPolarHBondContact O-CG1 3.35Å; V709-I713 PolarHBondContact O-N 2.7Å; L710-I713 PolarHBondContact O-N 3.24Å; I713-M716 PolarHBondContact O-N 3.42Å; I713-H717 VanDerWaalsContact O-CB 3.31Å; I713-H717 WeakPolarHBondContact O-CB 3.47Å; I713-H717 PolarHBondContact O-N 2.87Å
714T63.7Low58.8Low66 Ų6670.3 Ų70.341%0.40537%0.365SS..Hα-helixtrans-64.2-46.2175.9-54.50000111.4L710 G711 M712 H717 K718L710-T714 WeakPolarHBondContact O-CB 3.47Å; L710-T714 PolarHBondContact O-N 3.35Å; L710-T714 PolarHBondContact O-OG1 2.85Å; G711-T714 WeakPolarHBondContact O-CB 3.43Å; G711-T714 PolarHBondContact O-N 3.31Å; M712-T714 PolarHBondContact O-N 2.97Å; T714-H717 PolarHBondContact O-N 3.18Å; T714-K718 WeakPolarHBondContact O-CG 3.27Å; T714-K718 PolarHBondContact O-N 3.03Å
715V64Low58.9Low29 Ų2966.2 Ų66.218%0.17635%0.346CS..Hα-helixtrans-59.6-46.2174.2165.30000110.9G711 M712 H717 K718 L719 I821 L825G711-V715 WeakPolarHBondContact O-CG2 3.44Å; G711-V715 PolarHBondContact O-N 3.4Å; M712-V715 CarbonylContact O-C 3.5Å; M712-V715 WeakPolarHBondContact O-CB 3.43Å; M712-V715 PolarHBondContact O-N 2.98Å; M712-V715 VanDerWaalsContact O-N 3.11Å; V715-H717 PolarHBondContact O-N 3.31Å; V715-K718 PolarHBondContact O-N 2.87Å; V715-L719 HydrophobicContact CG1-CD1 4.14Å; V715-L719 WeakPolarHBondContact O-CB 3.29Å; V715-L719 WeakPolarHBondContact O-CG 3.35Å; V715-L719 PolarHBondContact O-N 2.98Å; V715-I821 HydrophobicContact CG1-CG2 3.5Å; V715-I821 VanDerWaalsContact CG1-CG2 3.5Å; V715-L825 HydrophobicContact CG1-CD1 4.06Å; V715-L825 HydrophobicContact CG2-CD1 4.39Å
716M62.2Low58.9Low12 Ų1262.1 Ų62.16%0.05933%0.327CS..Hα-helixtrans-65.2-37.7177.9-70.4-175.677.300112.7M712 I713 G720 Q747 L750 F751M712-M716 WeakPolarHBondContact O-CB 3.41Å; M712-M716 VanDerWaalsContact O-CG 3.3Å; M712-M716 WeakPolarHBondContact O-CG 3.42Å; M712-M716 PolarHBondContact O-N 2.98Å; I713-M716 PolarHBondContact O-N 3.42Å; M716-G720 PolarHBondContact O-N 2.6Å; M716-Q747 HydrophobicContact CE-CB 3.88Å; M716-Q747 HydrophobicContact CE-CG 3.91Å; M716-L750 HydrophobicContact CE-CB 4.32Å; M716-L750 HydrophobicContact CE-CD2 3.63Å; M716-L750 HydrophobicContact SD-CD2 3.61Å; M716-F751 HydrophobicContact CE-CD2 4.36Å; M716-F751 HydrophobicContact CE-CE2 3.53Å; M716-F751 HydrophobicContact CE-CZ 4.21Å; M716-F751 HydrophobicContact SD-CE2 4.16Å; M716-F751 HydrophobicContact SD-CZ 4.28Å
717H62.8Low58.3Low124 Ų12460.5 Ų60.557%0.57433%0.327SS*.Hα-helixtrans-66.8-43174.1-84.2-166.9000111.5I713 T714 V715 G720 Y721I713-H717 VanDerWaalsContact O-CB 3.31Å; I713-H717 WeakPolarHBondContact O-CB 3.47Å; I713-H717 PolarHBondContact O-N 2.87Å; T714-H717 PolarHBondContact O-N 3.18Å; V715-H717 PolarHBondContact O-N 3.31Å; H717-G720 PolarHBondContact O-N 3.43Å; H717-Y721 WeakPolarHBondContact O-CB 3.38Å; H717-Y721 PolarHBondContact O-N 3.21Å
718K59.8Low57.7Low121 Ų12164.5 Ų64.553%0.52634%0.341SS..Hα-helixtrans-58.6-49174-75.5177.9177.7-173.60110.7T714 V715 G720 Y721 L722 L825T714-K718 WeakPolarHBondContact O-CG 3.27Å; T714-K718 PolarHBondContact O-N 3.03Å; V715-K718 PolarHBondContact O-N 2.87Å; K718-G720 PolarHBondContact O-N 2.98Å; K718-Y721 PolarHBondContact O-N 3.1Å; K718-L722 WeakPolarHBondContact O-CB 3.34Å; K718-L722 WeakPolarHBondContact O-CD1 3.42Å; K718-L722 WeakPolarHBondContact O-CG 3.37Å; K718-L722 PolarHBondContact O-N 3.42Å; K718-L825 HydrophobicContact CB-CD2 4.06Å
719L57.2Low57Low15 Ų1565.9 Ų65.98%0.07934%0.344CS..Hα-helixtrans-60.9-43.9176-75174.8000112.8V715 L722 S723 V743 I821 L825V715-L719 HydrophobicContact CG1-CD1 4.14Å; V715-L719 WeakPolarHBondContact O-CB 3.29Å; V715-L719 WeakPolarHBondContact O-CG 3.35Å; V715-L719 PolarHBondContact O-N 2.98Å; L719-L722 PolarHBondContact O-N 3.35Å; L719-S723 WeakPolarHBondContact O-CB 3.39Å; L719-S723 PolarHBondContact O-N 2.98Å; L719-V743 HydrophobicContact CB-CG1 3.79Å; L719-V743 HydrophobicContact CD1-CG1 3.87Å; L719-V743 HydrophobicContact CD1-CG2 4.26Å; L719-V743 HydrophobicContact CG-CG1 4.31Å; L719-I821 HydrophobicContact CD1-CD1 4.43Å; L719-I821 HydrophobicContact CD1-CG1 4.11Å; L719-I821 HydrophobicContact CD1-CG2 3.78Å; L719-L825 HydrophobicContact CD2-CD2 4.18Å; L719-L825 HydrophobicContact CD2-CG 4.35Å; L719-L825 HydrophobicContact CG-CD2 4.43Å
720G60.1Low56.4Low6 Ų673 Ų736%0.06238%0.381CS..Hα-helixtrans-61.9-43.9177.700000112.1M716 H717 K718 S723 Q724M716-G720 PolarHBondContact O-N 2.6Å; H717-G720 PolarHBondContact O-N 3.43Å; K718-G720 PolarHBondContact O-N 2.98Å; G720-S723 PolarHBondContact O-N 3.06Å; G720-S723 PolarHBondContact O-OG 2.92Å; G720-Q724 PolarHBondContact O-N 3.3Å
721Y57.4Low55.7Low133 Ų13377 Ų7752%0.52240%0.403SS..Hα-helixtrans-61.2-50.1174-176.8-89000111.5H717 K718 S723 Q724 E725H717-Y721 WeakPolarHBondContact O-CB 3.38Å; H717-Y721 PolarHBondContact O-N 3.21Å; K718-Y721 PolarHBondContact O-N 3.1Å; Y721-S723 PolarHBondContact O-N 2.98Å; Y721-Q724 PolarHBondContact O-N 3Å; Y721-E725 HydrophobicContact CE1-CG 4.09Å; Y721-E725 PolarHBondContact O-N 2.79Å; Y721-E725 VanDerWaalsContact OH-CD 3.3Å; Y721-E725 PolarHBondContact OH-OE1 3.22Å; Y721-E725 PolarHBondContact OH-OE2 3.18Å
722L51.9Low55Low25 Ų2578.2 Ų78.213%0.13140%0.398CS..Hα-helixtrans-57.6-34.1176.3-70167.4000112K718 L719 Q724 Y736 L825 C828 F832K718-L722 WeakPolarHBondContact O-CB 3.34Å; K718-L722 WeakPolarHBondContact O-CD1 3.42Å; K718-L722 WeakPolarHBondContact O-CG 3.37Å; K718-L722 PolarHBondContact O-N 3.42Å; L719-L722 PolarHBondContact O-N 3.35Å; L722-Q724 VanDerWaalsContact C-N 3.27Å; L722-Q724 PolarHBondContact O-N 3.44Å; L722-Y736 PolarHBondContact O-OH 3.46Å; L722-L825 HydrophobicContact CD1-CD2 3.96Å; L722-C828 HydrophobicContact CD1-CB 3.8Å; L722-C828 HydrophobicContact CD2-CB 3.93Å; L722-F832 HydrophobicContact CD2-CD2 3.94Å; L722-F832 HydrophobicContact CD2-CE2 3.43Å; L722-F832 VanDerWaalsContact CD2-CE2 3.43Å; L722-F832 HydrophobicContact CD2-CZ 4.28Å
723S52.2Low54.6Low10 Ų1079.9 Ų79.97%0.0741%0.411CS..Hα-helixtrans-74-11.9178.484.70000115.4L719 G720 Y721 K744L719-S723 WeakPolarHBondContact O-CB 3.39Å; L719-S723 PolarHBondContact O-N 2.98Å; G720-S723 PolarHBondContact O-N 3.06Å; G720-S723 PolarHBondContact O-OG 2.92Å; Y721-S723 PolarHBondContact O-N 2.98Å; S723-K744 PolarHBondContact O-NZ 3.28Å; S723-K744 WeakPolarHBondContact OG-CE 3.42Å
724Q56.5Low54.1Low150 Ų15083.6 Ų83.670%0.70143%0.431SS*.Hα-helixtrans-98.7-32.6178-70.8-178.82.700111.9G720 Y721 L722G720-Q724 PolarHBondContact O-N 3.3Å; Y721-Q724 PolarHBondContact O-N 3Å; L722-Q724 VanDerWaalsContact C-N 3.27Å; L722-Q724 PolarHBondContact O-N 3.44Å
725E49.9Very low53.3Low86 Ų8683.1 Ų83.140%0.40242%0.424SS..Hα-helixtrans-86-8.9-177.9-75.9-144.4143.200115.2Y721 S727 F728Y721-E725 HydrophobicContact CE1-CG 4.09Å; Y721-E725 PolarHBondContact O-N 2.79Å; Y721-E725 VanDerWaalsContact OH-CD 3.3Å; Y721-E725 PolarHBondContact OH-OE1 3.22Å; Y721-E725 PolarHBondContact OH-OE2 3.18Å; E725-S727 PolarHBondContact O-N 3.39Å; E725-F728 WeakPolarHBondContact O-CD2 3.4Å
726S48.5Very low52.9Low28 Ų2884.1 Ų84.120%0.19643%0.425CS..THydrogen-bonded Turntrans-74.425.1-178.6710000115F728 I732 Q740S726-F728 PolarHBondContact O-N 2.97Å; S726-I732 WeakPolarHBondContact O-CD1 3.44Å; S726-Q740 PolarHBondContact OG-NE2 3.43Å
727S42.5Very low52.7Low103 Ų10388.9 Ų88.972%0.7245%0.447SS*.THydrogen-bonded Turntrans-76.33169.8-49.50000112.3E725E725-S727 PolarHBondContact O-N 3.39Å
728F44.9Very low52.2Low159 Ų15984 Ų8470%0.69743%0.428SS*.SBendtrans-113.497.7-173.1-69.6-79.3000111.1E725 S726E725-F728 WeakPolarHBondContact O-CD2 3.4Å; S726-F728 PolarHBondContact O-N 2.97Å
729N45.3Very low51.9Low109 Ų10979 Ų7958%0.58341%0.407SS*.  trans116.7121.6163.2-63.1-16.1000114.1D731 I732N729-D731 PolarHBondContact O-N 3.28Å; N729-I732 WeakPolarHBondContact O-CG1 3.35Å
730N49.1Very low52.1Low172 Ų17279.8 Ų79.892%0.9241%0.411SS*.SBendtrans-71.26.7-170-72.4-22.1000115.7
731D49.2Very low52.1Low160 Ų16086.3 Ų86.386%0.85643%0.434SS*.  trans-11144.3178.5-71.4-34.7000111.2N729 S733N729-D731 PolarHBondContact O-N 3.28Å; D731-S733 PolarHBondContact O-N 2.82Å; D731-S733 VanDerWaalsContact O-N 3.16Å
732I51.2Low52.1Low69 Ų6981.1 Ų81.135%0.35442%0.415SS..  trans-68.6112.8171.8-59.3177.3000107.1S726 N729 L734 Y736 E737S726-I732 WeakPolarHBondContact O-CD1 3.44Å; N729-I732 WeakPolarHBondContact O-CG1 3.35Å; I732-L734 PolarHBondContact O-N 3.2Å; I732-Y736 HydrophobicContact CG2-CD1 3.51Å; I732-Y736 HydrophobicContact CG2-CE1 4.49Å; I732-Y736 HydrophobicContact CG2-CG 4.08Å; I732-E737 HydrophobicContact CG2-CG 4.03Å
733S55.8Low52.6Low47 Ų4780.9 Ų80.933%0.32942%0.415SS..  trans-59.2140.3174.682.30000109D731 E735 Y736 E737D731-S733 PolarHBondContact O-N 2.82Å; D731-S733 VanDerWaalsContact O-N 3.16Å; S733-E735 WeakPolarHBondContact CB-OE2 3.36Å; S733-E735 PolarHBondContact O-N 3.28Å; S733-E735 WeakPolarHBondContact OG-CB 3.32Å; S733-E735 PolarHBondContact OG-N 3.24Å; S733-E735 PolarHBondContact OG-OE2 3.45Å; S733-Y736 WeakPolarHBondContact O-CB 3.25Å; S733-Y736 PolarHBondContact O-N 3.29Å; S733-E737 PolarHBondContact O-N 2.73Å
734L51.4Low53.1Low132 Ų13284.8 Ų84.869%0.69143%0.431SS*.Hα-helixtrans-48.8-25.7173.3-90.4153.6000112.2I732 A738I732-L734 PolarHBondContact O-N 3.2Å; L734-A738 PolarHBondContact O-N 2.92Å; L734-A738 VanDerWaalsContact O-N 3.14Å
735E48.5Very low53.4Low55 Ų5578.8 Ų78.826%0.25740%0.403SS..Hα-helixtrans-62.9-44.4174.9-53119-140.200112.5S733 A738 I739 I794 F798S733-E735 WeakPolarHBondContact CB-OE2 3.36Å; S733-E735 PolarHBondContact O-N 3.28Å; S733-E735 WeakPolarHBondContact OG-CB 3.32Å; S733-E735 PolarHBondContact OG-N 3.24Å; S733-E735 PolarHBondContact OG-OE2 3.45Å; E735-A738 PolarHBondContact O-N 2.63Å; E735-I739 WeakPolarHBondContact O-CB 3.25Å; E735-I739 VanDerWaalsContact O-CG1 3.28Å; E735-I739 WeakPolarHBondContact O-CG1 3.35Å; E735-I739 PolarHBondContact O-N 2.85Å; E735-I794 HydrophobicContact CB-CD1 4.12Å; E735-I794 HydrophobicContact CB-CG1 3.89Å; E735-I794 HydrophobicContact CB-CG2 4.27Å; E735-I794 HydrophobicContact CG-CD1 4.46Å; E735-I794 HydrophobicContact CG-CG1 3.74Å; E735-I794 HydrophobicContact CG-CG2 4.45Å; E735-F798 HydrophobicContact CB-CE2 4.18Å; E735-F798 HydrophobicContact CG-CE2 4.03Å
736Y55.3Low54Low51 Ų5175.3 Ų75.320%0.239%0.386CS..Hα-helixtrans-67.1-40-179.4-173.6-98.5000111.4L722 I732 S733 I739 Q740L722-Y736 PolarHBondContact O-OH 3.46Å; I732-Y736 HydrophobicContact CG2-CD1 3.51Å; I732-Y736 HydrophobicContact CG2-CE1 4.49Å; I732-Y736 HydrophobicContact CG2-CG 4.08Å; S733-Y736 WeakPolarHBondContact O-CB 3.25Å; S733-Y736 PolarHBondContact O-N 3.29Å; Y736-I739 PolarHBondContact O-N 2.64Å; Y736-Q740 HydrophobicContact CD1-CG 3.96Å; Y736-Q740 HydrophobicContact CE1-CG 3.73Å; Y736-Q740 VanDerWaalsContact CZ-NE2 3.33Å; Y736-Q740 WeakPolarHBondContact O-CB 3.4Å; Y736-Q740 WeakPolarHBondContact O-CG 3.38Å; Y736-Q740 PolarHBondContact O-N 3.46Å; Y736-Q740 PolarHBondContact OH-NE2 3.03Å; Y736-Q740 VanDerWaalsContact OH-NE2 3.17Å
737E57Low54.7Low111 Ų11176.4 Ų76.452%0.51939%0.388SS..Hα-helixtrans-62.7-47.3174.9-77.9-164.8151.200112.6I732 S733 I739 Q740 Y741I732-E737 HydrophobicContact CG2-CG 4.03Å; S733-E737 PolarHBondContact O-N 2.73Å; E737-I739 PolarHBondContact O-N 3.17Å; E737-Q740 PolarHBondContact O-N 3.39Å; E737-Y741 VanDerWaalsContact O-CB 3.32Å; E737-Y741 WeakPolarHBondContact O-CB 3.28Å; E737-Y741 PolarHBondContact O-N 3.23Å
738A53.5Low55.8Low22 Ų2278.7 Ų78.718%0.18238%0.381CS..Hα-helixtrans-59.9-37.8-179.200000111.6L734 E735 Y741 I742 T790 I794L734-A738 PolarHBondContact O-N 2.92Å; L734-A738 VanDerWaalsContact O-N 3.14Å; E735-A738 PolarHBondContact O-N 2.63Å; A738-Y741 WeakPolarHBondContact O-CB 3.16Å; A738-I742 WeakPolarHBondContact O-CG1 3.41Å; A738-I742 PolarHBondContact O-N 3.05Å; A738-I742 VanDerWaalsContact O-N 3.15Å; A738-T790 HydrophobicContact CB-CG2 3.85Å; A738-I794 HydrophobicContact CB-CD1 3.61Å
739I53.4Low56.8Low17 Ų1774.4 Ų74.49%0.08736%0.361CS..Hα-helixtrans-75.7-44.3178.6-72.8177.2000111.8E735 Y736 E737 Y741 I742 V743 I794 L824E735-I739 WeakPolarHBondContact O-CB 3.25Å; E735-I739 VanDerWaalsContact O-CG1 3.28Å; E735-I739 WeakPolarHBondContact O-CG1 3.35Å; E735-I739 PolarHBondContact O-N 2.85Å; Y736-I739 PolarHBondContact O-N 2.64Å; E737-I739 PolarHBondContact O-N 3.17Å; I739-Y741 PolarHBondContact O-N 3.26Å; I739-I742 PolarHBondContact O-N 3.36Å; I739-I742 VanDerWaalsContact O-N 3.07Å; I739-V743 HydrophobicContact CG2-CG2 4.4Å; I739-V743 WeakPolarHBondContact O-CG2 3.21Å; I739-V743 PolarHBondContact O-N 3.37Å; I739-I794 HydrophobicContact CD1-CG2 4.07Å; I739-L824 HydrophobicContact CB-CD1 4.32Å; I739-L824 HydrophobicContact CB-CD2 4.21Å; I739-L824 HydrophobicContact CD1-CD1 4.27Å; I739-L824 HydrophobicContact CD1-CD2 3.64Å; I739-L824 HydrophobicContact CD1-CG 4.15Å; I739-L824 HydrophobicContact CG1-CD2 4.49Å; I739-L824 HydrophobicContact CG2-CD1 3Å; I739-L824 HydrophobicContact CG2-CD2 3.47Å; I739-L824 VanDerWaalsContact CG2-CD2 3.47Å; I739-L824 HydrophobicContact CG2-CG 3.72Å
740Q60.1Low57.7Low31 Ų3169.4 Ų69.415%0.14533%0.334CS..Hα-helixtrans-54.8-39.8172.4-82.3-159.6-15.500110.7S726 Y736 E737 V743 K744S726-Q740 PolarHBondContact OG-NE2 3.43Å; Y736-Q740 HydrophobicContact CD1-CG 3.96Å; Y736-Q740 HydrophobicContact CE1-CG 3.73Å; Y736-Q740 VanDerWaalsContact CZ-NE2 3.33Å; Y736-Q740 WeakPolarHBondContact O-CB 3.4Å; Y736-Q740 WeakPolarHBondContact O-CG 3.38Å; Y736-Q740 PolarHBondContact O-N 3.46Å; Y736-Q740 PolarHBondContact OH-NE2 3.03Å; Y736-Q740 VanDerWaalsContact OH-NE2 3.17Å; E737-Q740 PolarHBondContact O-N 3.39Å; Q740-V743 PolarHBondContact O-N 3.45Å; Q740-K744 VanDerWaalsContact O-CB 3.24Å; Q740-K744 WeakPolarHBondContact O-CB 3.44Å; Q740-K744 PolarHBondContact O-N 3.33Å
741Y60.6Low58.4Low143 Ų14366.8 Ų66.856%0.56131%0.314SS*.Hα-helixtrans-60.7-46.1176-177.1-94.6000111.8E737 A738 I739 N745E737-Y741 VanDerWaalsContact O-CB 3.32Å; E737-Y741 WeakPolarHBondContact O-CB 3.28Å; E737-Y741 PolarHBondContact O-N 3.23Å; A738-Y741 WeakPolarHBondContact O-CB 3.16Å; I739-Y741 PolarHBondContact O-N 3.26Å; Y741-N745 WeakPolarHBondContact CE1-ND2 3.24Å; Y741-N745 VanDerWaalsContact O-CB 3.29Å; Y741-N745 WeakPolarHBondContact O-CB 3.34Å; Y741-N745 PolarHBondContact O-N 2.81Å; Y741-N745 PolarHBondContact O-ND2 3.31Å; Y741-N745 PolarHBondContact OH-ND2 3.21Å
742I56.5Low59.2Low24 Ų2461.3 Ų61.312%0.12329%0.287CS..Hα-helixtrans-62-50.2176.7-70.5163.1000111A738 I739 N745 Y746 L780 L791 L817A738-I742 WeakPolarHBondContact O-CG1 3.41Å; A738-I742 PolarHBondContact O-N 3.05Å; A738-I742 VanDerWaalsContact O-N 3.15Å; I739-I742 PolarHBondContact O-N 3.36Å; I739-I742 VanDerWaalsContact O-N 3.07Å; I742-N745 PolarHBondContact O-N 3.15Å; I742-Y746 VanDerWaalsContact O-CB 3.3Å; I742-Y746 WeakPolarHBondContact O-CB 3.44Å; I742-Y746 PolarHBondContact O-N 3.43Å; I742-L780 HydrophobicContact CG2-CD2 3.81Å; I742-L791 HydrophobicContact CD1-CD1 3.32Å; I742-L791 HydrophobicContact CD1-CD2 4.32Å; I742-L791 HydrophobicContact CD1-CG 4.35Å; I742-L817 HydrophobicContact CG2-CD1 4.05Å
743V62.3Low59.3Low20 Ų2063.2 Ų63.212%0.12131%0.313CS..Hα-helixtrans-64.4-46.3-177.21700000111.3L719 I739 Q740 N745 Y746 Q747L719-V743 HydrophobicContact CB-CG1 3.79Å; L719-V743 HydrophobicContact CD1-CG1 3.87Å; L719-V743 HydrophobicContact CD1-CG2 4.26Å; L719-V743 HydrophobicContact CG-CG1 4.31Å; I739-V743 HydrophobicContact CG2-CG2 4.4Å; I739-V743 WeakPolarHBondContact O-CG2 3.21Å; I739-V743 PolarHBondContact O-N 3.37Å; Q740-V743 PolarHBondContact O-N 3.45Å; V743-N745 PolarHBondContact O-N 3.07Å; V743-Y746 PolarHBondContact O-N 3.02Å; V743-Q747 WeakPolarHBondContact O-CB 3.28Å; V743-Q747 PolarHBondContact O-N 3.3Å
744K64Low59.9Low92 Ų9265.4 Ų65.440%0.433%0.328SS..Hα-helixtrans-62.4-42.8176.8-87.1177.9171.1155.80111.4S723 Q740 R748S723-K744 PolarHBondContact O-NZ 3.28Å; S723-K744 WeakPolarHBondContact OG-CE 3.42Å; Q740-K744 VanDerWaalsContact O-CB 3.24Å; Q740-K744 WeakPolarHBondContact O-CB 3.44Å; Q740-K744 PolarHBondContact O-N 3.33Å; K744-R748 WeakPolarHBondContact O-CB 3.29Å; K744-R748 PolarHBondContact O-N 2.97Å
745N63.2Low60.7Low23 Ų2360.5 Ų60.512%0.12330%0.302CS..Hα-helixtrans-64.9-44.3176.8-88.1-37.3000111.8Y741 I742 V743 R748 R749Y741-N745 WeakPolarHBondContact CE1-ND2 3.24Å; Y741-N745 VanDerWaalsContact O-CB 3.29Å; Y741-N745 WeakPolarHBondContact O-CB 3.34Å; Y741-N745 PolarHBondContact O-N 2.81Å; Y741-N745 PolarHBondContact O-ND2 3.31Å; Y741-N745 PolarHBondContact OH-ND2 3.21Å; I742-N745 PolarHBondContact O-N 3.15Å; V743-N745 PolarHBondContact O-N 3.07Å; N745-R748 PolarHBondContact O-N 2.87Å; N745-R748 PolarHBondContact OD1-NH2 3.22Å; N745-R749 WeakPolarHBondContact O-CB 3.49Å; N745-R749 VanDerWaalsContact O-CG 3.26Å; N745-R749 WeakPolarHBondContact O-CG 3.48Å; N745-R749 PolarHBondContact O-N 3.28Å
746Y61Low61.8Low13 Ų1365 Ų655%0.05132%0.321CS..Hα-helixtrans-61.5-49178.2-163.9-89.8000111.4I742 V743 R749 L750 L767 V775 F779 L780 L817I742-Y746 VanDerWaalsContact O-CB 3.3Å; I742-Y746 WeakPolarHBondContact O-CB 3.44Å; I742-Y746 PolarHBondContact O-N 3.43Å; V743-Y746 PolarHBondContact O-N 3.02Å; Y746-R749 PolarHBondContact O-N 3.5Å; Y746-L750 HydrophobicContact CE1-CD1 3.99Å; Y746-L750 WeakPolarHBondContact O-CB 3.5Å; Y746-L750 PolarHBondContact O-N 3.17Å; Y746-L767 HydrophobicContact CE1-CD1 3.65Å; Y746-L767 WeakPolarHBondContact OH-CD1 3.19Å; Y746-V775 HydrophobicContact CE2-CG1 4.21Å; Y746-F779 HydrophobicContact CD2-CB 3.94Å; Y746-F779 HydrophobicContact CE2-CB 3.61Å; Y746-F779 HydrophobicContact CE2-CD1 4.32Å; Y746-F779 HydrophobicContact CE2-CG 4.25Å; Y746-L780 HydrophobicContact CD2-CD2 4.14Å; Y746-L780 HydrophobicContact CD2-CG 4.43Å; Y746-L817 HydrophobicContact CD2-CD2 4.24Å; Y746-L817 HydrophobicContact CE2-CD2 4.06Å
747Q63.4Low62.3Low51 Ų5167.9 Ų67.924%0.23835%0.346CS..Hα-helixtrans-60.5-49.3177.3-17918016.600111.8M716 V743 R749 L750 F751M716-Q747 HydrophobicContact CE-CB 3.88Å; M716-Q747 HydrophobicContact CE-CG 3.91Å; V743-Q747 WeakPolarHBondContact O-CB 3.28Å; V743-Q747 PolarHBondContact O-N 3.3Å; Q747-R749 VanDerWaalsContact C-N 3.28Å; Q747-R749 PolarHBondContact O-N 2.94Å; Q747-L750 PolarHBondContact O-N 3.46Å; Q747-F751 HydrophobicContact CG-CD2 4.04Å; Q747-F751 HydrophobicContact CG-CE2 4.17Å; Q747-F751 VanDerWaalsContact O-CD2 3.27Å; Q747-F751 WeakPolarHBondContact O-CD2 3.5Å; Q747-F751 PolarHBondContact O-N 2.98Å
748R65.4Low63Low152 Ų15267.8 Ų67.857%0.57435%0.348SS*.Hα-helixtrans-55.3-48179.2-176.6175.866.1161.1-2110K744 N745 F751 T752K744-R748 WeakPolarHBondContact O-CB 3.29Å; K744-R748 PolarHBondContact O-N 2.97Å; N745-R748 PolarHBondContact O-N 2.87Å; N745-R748 PolarHBondContact OD1-NH2 3.22Å; R748-F751 CarbonylContact O-C 3.59Å; R748-F751 PolarHBondContact O-N 3.29Å; R748-T752 PolarHBondContact O-N 2.94Å; R748-T752 PolarHBondContact O-OG1 3.34Å
749R66.9Low63.9Low69 Ų6969 Ų6926%0.2635%0.351SS..Hα-helixtrans-68.3-44.5-178.4-68.4-64.5-169.1178.26.9112.4N745 Y746 Q747 F751 T752 I755 F779 E781N745-R749 WeakPolarHBondContact O-CB 3.49Å; N745-R749 VanDerWaalsContact O-CG 3.26Å; N745-R749 WeakPolarHBondContact O-CG 3.48Å; N745-R749 PolarHBondContact O-N 3.28Å; Y746-R749 PolarHBondContact O-N 3.5Å; Q747-R749 VanDerWaalsContact C-N 3.28Å; Q747-R749 PolarHBondContact O-N 2.94Å; R749-F751 PolarHBondContact O-N 2.79Å; R749-F751 VanDerWaalsContact O-N 3.12Å; R749-T752 WeakPolarHBondContact CA-OG1 3.43Å; R749-T752 PolarHBondContact O-N 3.33Å; R749-I755 HydrophobicContact CB-CD1 4.24Å; R749-I755 WeakPolarHBondContact O-CD1 3.38Å; R749-F779 HydrophobicContact CB-CD1 4.18Å; R749-E781 IonicContact CZ-OE2 3.45Å; R749-E781 IonicContact NH2-OE1 2.78Å; R749-E781 IonicContact NH2-OE2 2.74Å; R749-E781 PolarHBondContact NH2-OE2 3.48Å
750L64.5Low64.7Low4 Ų469.2 Ų69.22%0.02135%0.353CS..Hα-helixtrans-53-36.1177.8-160.389.3000112.8M716 Y746 Q747 V760 E763 L764 F779M716-L750 HydrophobicContact CE-CB 4.32Å; M716-L750 HydrophobicContact CE-CD2 3.63Å; M716-L750 HydrophobicContact SD-CD2 3.61Å; Y746-L750 HydrophobicContact CE1-CD1 3.99Å; Y746-L750 WeakPolarHBondContact O-CB 3.5Å; Y746-L750 PolarHBondContact O-N 3.17Å; Q747-L750 PolarHBondContact O-N 3.46Å; L750-V760 HydrophobicContact CD1-CG1 4.22Å; L750-V760 HydrophobicContact CG-CG1 4.03Å; L750-E763 HydrophobicContact CD1-CB 4.38Å; L750-L764 HydrophobicContact CD1-CD2 4.36Å; L750-L764 HydrophobicContact CD1-CG 4.24Å; L750-L764 HydrophobicContact CD2-CD1 4.44Å; L750-L764 HydrophobicContact CD2-CD2 3.81Å; L750-L764 HydrophobicContact CD2-CG 4.23Å; L750-F779 HydrophobicContact CD1-CD1 4.36Å; L750-F779 HydrophobicContact CD1-CE1 3.98Å
751F63.1Low65Low117 Ų11773.6 Ų73.651%0.51337%0.372SS..THydrogen-bonded Turntrans-106.512.6-179.8-57.4-66.1000113.9M716 Q747 R748 R749M716-F751 HydrophobicContact CE-CD2 4.36Å; M716-F751 HydrophobicContact CE-CE2 3.53Å; M716-F751 HydrophobicContact CE-CZ 4.21Å; M716-F751 HydrophobicContact SD-CE2 4.16Å; M716-F751 HydrophobicContact SD-CZ 4.28Å; Q747-F751 HydrophobicContact CG-CD2 4.04Å; Q747-F751 HydrophobicContact CG-CE2 4.17Å; Q747-F751 VanDerWaalsContact O-CD2 3.27Å; Q747-F751 WeakPolarHBondContact O-CD2 3.5Å; Q747-F751 PolarHBondContact O-N 2.98Å; R748-F751 CarbonylContact O-C 3.59Å; R748-F751 PolarHBondContact O-N 3.29Å; R749-F751 PolarHBondContact O-N 2.79Å; R749-F751 VanDerWaalsContact O-N 3.12Å
752T65.5Low65.8Low44 Ų4471.6 Ų71.627%0.2737%0.367SS..  trans-77.5130.4175-53.90000110.2R748 R749 S754 I755R748-T752 PolarHBondContact O-N 2.94Å; R748-T752 PolarHBondContact O-OG1 3.34Å; R749-T752 WeakPolarHBondContact CA-OG1 3.43Å; R749-T752 PolarHBondContact O-N 3.33Å; T752-S754 VanDerWaalsContact CG2-OG 3.25Å; T752-S754 WeakPolarHBondContact CG2-OG 3.23Å; T752-S754 PolarHBondContact O-N 3.07Å; T752-I755 PolarHBondContact O-N 3.24Å; T752-I755 VanDerWaalsContact O-N 3.15Å
753A54.9Low66.6Low109 Ų10970.8 Ų70.890%0.90136%0.363SS*.THydrogen-bonded Turntrans-59.4-15.5-179.300000115.2I755A753-I755 VanDerWaalsContact C-N 3.31Å
754S67.3Low67Low94 Ų9470.6 Ų70.666%0.65736%0.361SS*.THydrogen-bonded Turntrans-78.2-11.1178.956.90000114.1T752T752-S754 VanDerWaalsContact CG2-OG 3.25Å; T752-S754 WeakPolarHBondContact CG2-OG 3.23Å; T752-S754 PolarHBondContact O-N 3.07Å
755I67.7Low67.4Low28 Ų2871.2 Ų71.214%0.14436%0.364CS..SBendtrans-94.7129.2178.7-51.9-167.8000109.8R749 T752 A753 L759 V760 F779R749-I755 HydrophobicContact CB-CD1 4.24Å; R749-I755 WeakPolarHBondContact O-CD1 3.38Å; T752-I755 PolarHBondContact O-N 3.24Å; T752-I755 VanDerWaalsContact O-N 3.15Å; A753-I755 VanDerWaalsContact C-N 3.31Å; I755-L759 HydrophobicContact CG2-CB 3.93Å; I755-L759 HydrophobicContact CG2-CD1 4.45Å; I755-V760 HydrophobicContact CB-CG2 4.09Å; I755-V760 HydrophobicContact CG2-CG2 3.71Å; I755-F779 HydrophobicContact CD1-CD1 4.38Å; I755-F779 HydrophobicContact CD1-CE1 3.67Å; I755-F779 HydrophobicContact CD1-CE2 4.37Å; I755-F779 HydrophobicContact CD1-CZ 3.67Å; I755-F779 HydrophobicContact CG2-CZ 3.91Å
756K72.1Confident68Low151 Ų15173.3 Ų73.366%0.65737%0.372SS*.  trans-59.2134.1177.1-67.5-176177.8-179.70109.7I758 L759 V760K756-I758 HydrophobicContact CB-CG2 4.33Å; K756-I758 PolarHBondContact O-N 3Å; K756-L759 HydrophobicContact CB-CD1 4.24Å; K756-L759 WeakPolarHBondContact O-CB 3.38Å; K756-L759 PolarHBondContact O-N 3.08Å; K756-V760 PolarHBondContact O-N 3.32Å
757P65.7Low68.5Low110 Ų11072.8 Ų72.871%0.71437%0.37SS*.Hα-helixtrans-54.4-30.1-179.2-28.534.5000114.4V760 K761P757-V760 PolarHBondContact O-N 2.67Å; P757-K761 WeakPolarHBondContact O-CB 3.3Å; P757-K761 PolarHBondContact O-N 2.67Å
758I72.6Confident68.7Low109 Ų10972.5 Ų72.556%0.55937%0.37SS*.Hα-helixtrans-63-40.4177-148.983000111.9K756 K761 E762K756-I758 HydrophobicContact CB-CG2 4.33Å; K756-I758 PolarHBondContact O-N 3Å; I758-K761 PolarHBondContact O-N 2.81Å; I758-E762 WeakPolarHBondContact O-CG 3.38Å; I758-E762 PolarHBondContact O-N 3.01Å
759L72.3Confident69.2Low48 Ų4868.9 Ų68.925%0.25137%0.368SS..Hα-helixtrans-70.3-42.1178.6-76.3162.3000110.5I755 K756 K761 E762 E763I755-L759 HydrophobicContact CG2-CB 3.93Å; I755-L759 HydrophobicContact CG2-CD1 4.45Å; K756-L759 HydrophobicContact CB-CD1 4.24Å; K756-L759 WeakPolarHBondContact O-CB 3.38Å; K756-L759 PolarHBondContact O-N 3.08Å; L759-K761 VanDerWaalsContact C-N 3.27Å; L759-K761 PolarHBondContact O-N 3.09Å; L759-E762 PolarHBondContact O-N 3.44Å; L759-E763 WeakPolarHBondContact O-CG 3.44Å; L759-E763 PolarHBondContact O-N 3.3Å
760V69Low69.4Low22 Ų2271.5 Ų71.513%0.13338%0.379CS..Hα-helixtrans-58.5-43.2175177.50000110.8L750 I755 K756 P757 E763 L764L750-V760 HydrophobicContact CD1-CG1 4.22Å; L750-V760 HydrophobicContact CG-CG1 4.03Å; I755-V760 HydrophobicContact CB-CG2 4.09Å; I755-V760 HydrophobicContact CG2-CG2 3.71Å; K756-V760 PolarHBondContact O-N 3.32Å; P757-V760 PolarHBondContact O-N 2.67Å; V760-E763 PolarHBondContact O-N 2.81Å; V760-L764 HydrophobicContact CG1-CD1 4Å; V760-L764 WeakPolarHBondContact O-CB 3.2Å; V760-L764 WeakPolarHBondContact O-CG 3.35Å; V760-L764 PolarHBondContact O-N 3.15Å
761K67.9Low69.9Low123 Ų12372.7 Ų72.754%0.53539%0.387SS..Hα-helixtrans-62.2-48.1175.9-176.4-179.8177.7-171.50111.2P757 I758 L759 E763 L764 F765P757-K761 WeakPolarHBondContact O-CB 3.3Å; P757-K761 PolarHBondContact O-N 2.67Å; I758-K761 PolarHBondContact O-N 2.81Å; L759-K761 VanDerWaalsContact C-N 3.27Å; L759-K761 PolarHBondContact O-N 3.09Å; K761-E763 PolarHBondContact O-N 3.31Å; K761-L764 PolarHBondContact O-N 3.13Å; K761-F765 HydrophobicContact CD-CE2 4.29Å; K761-F765 VanDerWaalsContact CE-CE2 3.48Å; K761-F765 HydrophobicContact CG-CD2 3.75Å; K761-F765 HydrophobicContact CG-CE2 3.77Å; K761-F765 VanDerWaalsContact O-CD2 3.29Å; K761-F765 WeakPolarHBondContact O-CD2 3.48Å; K761-F765 PolarHBondContact O-N 3.5Å
762E75.6Confident70.3Confident100 Ų10071.8 Ų71.847%0.46740%0.395SS..Hα-helixtrans-58.8-45.1177.8-74.9170.8176.300112.1I758 L759 F765 K766I758-E762 WeakPolarHBondContact O-CG 3.38Å; I758-E762 PolarHBondContact O-N 3.01Å; L759-E762 PolarHBondContact O-N 3.44Å; E762-F765 PolarHBondContact O-N 2.89Å; E762-K766 WeakPolarHBondContact O-CG 3.33Å; E762-K766 PolarHBondContact O-N 3.22Å
763E74.5Confident70.8Confident7 Ų773.1 Ų73.13%0.03340%0.4CS..Hα-helixtrans-59.4-48.2175.3-72-57.313600112.5L750 L759 V760 K761 F765 K766 L767 N776 F779 Y814L750-E763 HydrophobicContact CD1-CB 4.38Å; L759-E763 WeakPolarHBondContact O-CG 3.44Å; L759-E763 PolarHBondContact O-N 3.3Å; V760-E763 PolarHBondContact O-N 2.81Å; K761-E763 PolarHBondContact O-N 3.31Å; E763-F765 VanDerWaalsContact C-N 3.3Å; E763-F765 PolarHBondContact O-N 3.18Å; E763-K766 PolarHBondContact O-N 3.23Å; E763-K766 VanDerWaalsContact O-N 3.17Å; E763-L767 WeakPolarHBondContact O-CG 3.27Å; E763-L767 PolarHBondContact O-N 2.94Å; E763-N776 WeakPolarHBondContact OE1-CB 3.47Å; E763-N776 PolarHBondContact OE1-ND2 2.83Å; E763-F779 HydrophobicContact CB-CZ 4.33Å; E763-F779 HydrophobicContact CG-CD1 4.33Å; E763-F779 HydrophobicContact CG-CD2 3.68Å; E763-F779 HydrophobicContact CG-CE1 3.93Å; E763-F779 HydrophobicContact CG-CE2 3.22Å; E763-F779 HydrophobicContact CG-CG 4.21Å; E763-F779 HydrophobicContact CG-CZ 3.36Å; E763-Y814 PolarHBondContact OE1-OH 3.34Å; E763-Y814 VanDerWaalsContact OE1-OH 3.13Å; E763-Y814 WeakPolarHBondContact OE2-CE1 3.38Å; E763-Y814 VanDerWaalsContact OE2-CZ 3.26Å; E763-Y814 PolarHBondContact OE2-OH 2.77Å
764L70.1Confident71.7Confident17 Ų1771.4 Ų71.49%0.08938%0.381CS..Hα-helixtrans-60.5-41.6178.4-78.1169.2000111.3V709 M712 L750 V760 K761 L767 I768V709-L764 HydrophobicContact CG1-CD1 3.81Å; V709-L764 HydrophobicContact CG1-CD2 4.27Å; V709-L764 HydrophobicContact CG1-CG 4.49Å; M712-L764 HydrophobicContact SD-CD2 3.96Å; L750-L764 HydrophobicContact CD1-CD2 4.36Å; L750-L764 HydrophobicContact CD1-CG 4.24Å; L750-L764 HydrophobicContact CD2-CD1 4.44Å; L750-L764 HydrophobicContact CD2-CD2 3.81Å; L750-L764 HydrophobicContact CD2-CG 4.23Å; V760-L764 HydrophobicContact CG1-CD1 4Å; V760-L764 WeakPolarHBondContact O-CB 3.2Å; V760-L764 WeakPolarHBondContact O-CG 3.35Å; V760-L764 PolarHBondContact O-N 3.15Å; K761-L764 PolarHBondContact O-N 3.13Å; L764-L767 HydrophobicContact CD2-CD1 4.49Å; L764-L767 PolarHBondContact O-N 3.38Å; L764-I768 WeakPolarHBondContact O-CB 3.29Å; L764-I768 VanDerWaalsContact O-CD1 3.3Å; L764-I768 WeakPolarHBondContact O-CD1 3.45Å; L764-I768 WeakPolarHBondContact O-CG1 3.18Å; L764-I768 PolarHBondContact O-N 3.33Å
765F71.7Confident71.8Confident104 Ų10467.2 Ų67.246%0.45635%0.352SS..Hα-helixtrans-63.2-42.7175.1-92.1-76.3000112.1K761 E762 E763 I768 S769K761-F765 HydrophobicContact CD-CE2 4.29Å; K761-F765 VanDerWaalsContact CE-CE2 3.48Å; K761-F765 HydrophobicContact CG-CD2 3.75Å; K761-F765 HydrophobicContact CG-CE2 3.77Å; K761-F765 VanDerWaalsContact O-CD2 3.29Å; K761-F765 WeakPolarHBondContact O-CD2 3.48Å; K761-F765 PolarHBondContact O-N 3.5Å; E762-F765 PolarHBondContact O-N 2.89Å; E763-F765 VanDerWaalsContact C-N 3.3Å; E763-F765 PolarHBondContact O-N 3.18Å; F765-I768 PolarHBondContact O-N 3.47Å; F765-S769 WeakPolarHBondContact O-CB 3.44Å; F765-S769 PolarHBondContact O-N 3.22Å; F765-S769 PolarHBondContact O-OG 2.97Å; F765-S769 VanDerWaalsContact O-OG 3.12Å
766K77.7Confident71.9Confident68 Ų6868.1 Ų68.130%0.29636%0.357SS..Hα-helixtrans-63.9-42.5178.5-72.9-174-178-144.80112.3E762 E763 S769 Y770 C771 D773 Y814E762-K766 WeakPolarHBondContact O-CG 3.33Å; E762-K766 PolarHBondContact O-N 3.22Å; E763-K766 PolarHBondContact O-N 3.23Å; E763-K766 VanDerWaalsContact O-N 3.17Å; K766-S769 WeakPolarHBondContact CA-OG 3.32Å; K766-S769 PolarHBondContact O-N 3.28Å; K766-S769 PolarHBondContact O-OG 3.39Å; K766-Y770 PolarHBondContact O-N 3.43Å; K766-C771 HydrophobicContact CB-CB 4.41Å; K766-C771 PolarHBondContact O-N 3.46Å; K766-D773 IonicContact NZ-OD2 2.77Å; K766-D773 PolarHBondContact NZ-OD2 3.47Å; K766-Y814 HydrophobicContact CB-CD1 4.21Å; K766-Y814 HydrophobicContact CB-CD2 3.92Å; K766-Y814 HydrophobicContact CB-CE1 4.05Å; K766-Y814 HydrophobicContact CB-CE2 3.79Å; K766-Y814 HydrophobicContact CB-CG 4.13Å; K766-Y814 HydrophobicContact CD-CD2 4.39Å; K766-Y814 HydrophobicContact CD-CE2 3.62Å; K766-Y814 HydrophobicContact CG-CE2 4.33Å
767L70.6Confident71.5Confident1 Ų166.1 Ų66.11%0.00535%0.353CS..Hα-helixtrans-59.3-51.9172.7-79.6155.2000112.4M712 Y746 E763 L764 S769 Y770 Y814 L817 M818M712-L767 HydrophobicContact CE-CB 3.5Å; M712-L767 HydrophobicContact CE-CD1 3.56Å; M712-L767 HydrophobicContact CE-CD2 3.89Å; M712-L767 HydrophobicContact CE-CG 3.85Å; M712-L767 HydrophobicContact SD-CB 3.36Å; M712-L767 WeakPolarHBondContact SD-CB 3.32Å; M712-L767 HydrophobicContact SD-CD1 3.96Å; M712-L767 HydrophobicContact SD-CG 4.23Å; Y746-L767 HydrophobicContact CE1-CD1 3.65Å; Y746-L767 WeakPolarHBondContact OH-CD1 3.19Å; E763-L767 WeakPolarHBondContact O-CG 3.27Å; E763-L767 PolarHBondContact O-N 2.94Å; L764-L767 HydrophobicContact CD2-CD1 4.49Å; L764-L767 PolarHBondContact O-N 3.38Å; L767-S769 PolarHBondContact O-N 3.41Å; L767-Y770 PolarHBondContact O-N 2.97Å; L767-Y814 HydrophobicContact CD2-CD1 3.93Å; L767-Y814 HydrophobicContact CG-CD1 3.76Å; L767-Y814 HydrophobicContact CG-CE1 4.24Å; L767-L817 HydrophobicContact CD2-CD2 4.04Å; L767-M818 HydrophobicContact CB-SD 4.49Å; L767-M818 HydrophobicContact CD2-CG 4.02Å; L767-M818 HydrophobicContact CD2-SD 3.7Å
768I68.7Low71.6Confident46 Ų4667.9 Ų67.924%0.23635%0.35CS..Hα-helixtrans-59.8-35179.7-68.3161.4000110.9P708 V709 M712 L764 F765 Y770P708-I768 HydrophobicContact CB-CD1 4.38Å; P708-I768 HydrophobicContact CB-CG2 4.3Å; V709-I768 HydrophobicContact CB-CD1 4.31Å; V709-I768 HydrophobicContact CG2-CD1 3.74Å; M712-I768 HydrophobicContact CG-CD1 4.4Å; M712-I768 HydrophobicContact CG-CG1 3.64Å; M712-I768 HydrophobicContact SD-CD1 4.37Å; M712-I768 HydrophobicContact SD-CG1 3.59Å; M712-I768 VanDerWaalsContact SD-CG1 3.59Å; L764-I768 WeakPolarHBondContact O-CB 3.29Å; L764-I768 VanDerWaalsContact O-CD1 3.3Å; L764-I768 WeakPolarHBondContact O-CD1 3.45Å; L764-I768 WeakPolarHBondContact O-CG1 3.18Å; L764-I768 PolarHBondContact O-N 3.33Å; F765-I768 PolarHBondContact O-N 3.47Å; I768-Y770 VanDerWaalsContact C-N 3.26Å; I768-Y770 WeakPolarHBondContact O-CD2 3.18Å; I768-Y770 PolarHBondContact O-N 2.75Å
769S74.3Confident71.1Confident76 Ų7662.9 Ų62.953%0.53132%0.324SS..THydrogen-bonded Turntrans-79-3-179.568.40000114.5F765 K766 L767 C771F765-S769 WeakPolarHBondContact O-CB 3.44Å; F765-S769 PolarHBondContact O-N 3.22Å; F765-S769 PolarHBondContact O-OG 2.97Å; F765-S769 VanDerWaalsContact O-OG 3.12Å; K766-S769 WeakPolarHBondContact CA-OG 3.32Å; K766-S769 PolarHBondContact O-N 3.28Å; K766-S769 PolarHBondContact O-OG 3.39Å; L767-S769 PolarHBondContact O-N 3.41Å; S769-C771 PolarHBondContact O-N 2.91Å
770Y71.7Confident70.4Confident124 Ų12461.2 Ų61.249%0.48632%0.315SS..THydrogen-bonded Turntrans50.443-172.5-67.3-104000111.6K766 L767 I768 M818K766-Y770 PolarHBondContact O-N 3.43Å; L767-Y770 PolarHBondContact O-N 2.97Å; I768-Y770 VanDerWaalsContact C-N 3.26Å; I768-Y770 WeakPolarHBondContact O-CD2 3.18Å; I768-Y770 PolarHBondContact O-N 2.75Å; Y770-M818 HydrophobicContact CD1-CB 3.85Å; Y770-M818 HydrophobicContact CD1-CG 4.4Å; Y770-M818 HydrophobicContact CE1-CB 3.6Å; Y770-M818 HydrophobicContact CE1-CG 4.27Å
771C74.1Confident69.7Low29 Ų2966 Ų6620%0.19634%0.336CS..  trans-64.8141.8-173.4-164.20000111.5K766 S769 D773 Y814 A815K766-C771 HydrophobicContact CB-CB 4.41Å; K766-C771 PolarHBondContact O-N 3.46Å; S769-C771 PolarHBondContact O-N 2.91Å; C771-D773 HydrophobicContact CB-CB 4.33Å; C771-D773 PolarHBondContact O-N 3.37Å; C771-D773 VanDerWaalsContact SG-CB 3.58Å; C771-D773 PolarHBondContact SG-N 3.15Å; C771-Y814 HydrophobicContact CB-CD2 4.31Å; C771-Y814 WeakPolarHBondContact O-CB 3.15Å; C771-Y814 PolarHBondContact O-N 2.72Å; C771-A815 PolarHBondContact O-N 3.21Å; C771-A815 VanDerWaalsContact O-N 3.16Å
772S72Confident68.9Low97 Ų9761.6 Ų61.668%0.67832%0.318SS*.  trans-77.1-1.4171.944.10000113.4N813S772-N813 VanDerWaalsContact O-CB 3.32Å; S772-N813 WeakPolarHBondContact O-CB 3.31Å
773D76.9Confident67.6Low72 Ų7263.3 Ų63.339%0.38533%0.33SS..SBendtrans-57.9144.8171.8-79-2000111.8K766 C771 V775 N813 Y814K766-D773 IonicContact NZ-OD2 2.77Å; K766-D773 PolarHBondContact NZ-OD2 3.47Å; C771-D773 HydrophobicContact CB-CB 4.33Å; C771-D773 PolarHBondContact O-N 3.37Å; C771-D773 VanDerWaalsContact SG-CB 3.58Å; C771-D773 PolarHBondContact SG-N 3.15Å; D773-V775 PolarHBondContact O-N 3.22Å; D773-N813 WeakPolarHBondContact O-CA 3.42Å; D773-N813 WeakPolarHBondContact O-CB 3.15Å; D773-Y814 HydrophobicContact CB-CD2 4.08Å; D773-Y814 HydrophobicContact CB-CE2 4.04Å; D773-Y814 WeakPolarHBondContact O-CD2 3.48Å; D773-Y814 PolarHBondContact O-N 2.79Å
774C73.7Confident66.2Low74 Ų7467.9 Ų67.950%0.536%0.355SS..BIsolated β-bridgetrans-61136.1171.2-67.30000110.5N776 Y814C774-N776 PolarHBondContact O-N 3.47Å; C774-Y814 WeakPolarHBondContact O-CE2 3.28Å
775V68.5Low65.1Low5 Ų576.1 Ų76.13%0.0339%0.39CS..PPolyproline II helixtrans-65.4135.4175.4-178.10000109Y746 D773 N777 L780 I812 Y814 L817Y746-V775 HydrophobicContact CE2-CG1 4.21Å; D773-V775 PolarHBondContact O-N 3.22Å; V775-N777 PolarHBondContact O-N 3.02Å; V775-L780 HydrophobicContact CB-CD1 3.51Å; V775-L780 HydrophobicContact CB-CG 4.36Å; V775-L780 HydrophobicContact CG1-CD1 3.41Å; V775-L780 VanDerWaalsContact CG1-CD1 3.41Å; V775-L780 HydrophobicContact CG1-CG 3.72Å; V775-L780 HydrophobicContact CG2-CD1 3.98Å; V775-I812 HydrophobicContact CG2-CG2 4.25Å; V775-I812 WeakPolarHBondContact CG2-O 3.27Å; V775-I812 PolarHBondContact N-O 2.95Å; V775-Y814 HydrophobicContact CB-CE1 4.22Å; V775-Y814 HydrophobicContact CG1-CD1 4.49Å; V775-Y814 HydrophobicContact CG1-CE1 3.92Å; V775-Y814 HydrophobicContact CG2-CD1 3.79Å; V775-Y814 HydrophobicContact CG2-CD2 4.25Å; V775-Y814 HydrophobicContact CG2-CE1 3.97Å; V775-Y814 HydrophobicContact CG2-CE2 4.36Å; V775-Y814 HydrophobicContact CG2-CG 3.95Å; V775-L817 HydrophobicContact CG2-CB 4.47Å; V775-L817 HydrophobicContact CG2-CD2 4.16Å
776N69.5Low64Low48 Ų4878 Ų7826%0.25740%0.4SS..PPolyproline II helixtrans-58.7121.7179.9-176.7-18.7000111.4E763 C774 K778 F779 Y814E763-N776 WeakPolarHBondContact OE1-CB 3.47Å; E763-N776 PolarHBondContact OE1-ND2 2.83Å; C774-N776 PolarHBondContact O-N 3.47Å; N776-K778 PolarHBondContact O-N 3.31Å; N776-K778 WeakPolarHBondContact OD1-CB 3.3Å; N776-K778 PolarHBondContact OD1-N 3.09Å; N776-K778 VanDerWaalsContact OD1-N 3.11Å; N776-F779 HydrophobicContact CB-CD2 3.88Å; N776-F779 HydrophobicContact CB-CE2 4.49Å; N776-F779 PolarHBondContact O-N 3.46Å; N776-Y814 PolarHBondContact N-OH 3.15Å
777N65.1Low62.7Low108 Ų10876.7 Ų76.758%0.57840%0.4SS*.Hα-helixtrans-54.8-25.8-177.5-71.2-17000113.4V775 F779 E781V775-N777 PolarHBondContact O-N 3.02Å; N777-F779 PolarHBondContact O-N 3.4Å; N777-E781 PolarHBondContact O-N 3.17Å
778K66.5Low61.9Low148 Ų14879.4 Ų79.464%0.64341%0.414SS*.Hα-helixtrans-64.1-22.5174.9-71-174.7177179.10113.8N776N776-K778 PolarHBondContact O-N 3.31Å; N776-K778 WeakPolarHBondContact OD1-CB 3.3Å; N776-K778 PolarHBondContact OD1-N 3.09Å; N776-K778 VanDerWaalsContact OD1-N 3.11Å
779F62.3Low61.3Low3 Ų379.8 Ų79.81%0.01342%0.421CS..Hα-helixtrans-97.3-29.8-178.1-72.7-92.8000113.3Y746 R749 L750 I755 E763 N776 N777Y746-F779 HydrophobicContact CD2-CB 3.94Å; Y746-F779 HydrophobicContact CE2-CB 3.61Å; Y746-F779 HydrophobicContact CE2-CD1 4.32Å; Y746-F779 HydrophobicContact CE2-CG 4.25Å; R749-F779 HydrophobicContact CB-CD1 4.18Å; L750-F779 HydrophobicContact CD1-CD1 4.36Å; L750-F779 HydrophobicContact CD1-CE1 3.98Å; I755-F779 HydrophobicContact CD1-CD1 4.38Å; I755-F779 HydrophobicContact CD1-CE1 3.67Å; I755-F779 HydrophobicContact CD1-CE2 4.37Å; I755-F779 HydrophobicContact CD1-CZ 3.67Å; I755-F779 HydrophobicContact CG2-CZ 3.91Å; E763-F779 HydrophobicContact CB-CZ 4.33Å; E763-F779 HydrophobicContact CG-CD1 4.33Å; E763-F779 HydrophobicContact CG-CD2 3.68Å; E763-F779 HydrophobicContact CG-CE1 3.93Å; E763-F779 HydrophobicContact CG-CE2 3.22Å; E763-F779 HydrophobicContact CG-CG 4.21Å; E763-F779 HydrophobicContact CG-CZ 3.36Å; N776-F779 HydrophobicContact CB-CD2 3.88Å; N776-F779 HydrophobicContact CB-CE2 4.49Å; N776-F779 PolarHBondContact O-N 3.46Å; N777-F779 PolarHBondContact O-N 3.4Å
780L58.9Low60.5Low14 Ų1478.7 Ų78.77%0.07341%0.411CS..Hα-helixtrans-101.3-31.3-178.5-78.9176.8000114.2I742 Y746 V775 I782 I812 L817I742-L780 HydrophobicContact CG2-CD2 3.81Å; Y746-L780 HydrophobicContact CD2-CD2 4.14Å; Y746-L780 HydrophobicContact CD2-CG 4.43Å; V775-L780 HydrophobicContact CB-CD1 3.51Å; V775-L780 HydrophobicContact CB-CG 4.36Å; V775-L780 HydrophobicContact CG1-CD1 3.41Å; V775-L780 VanDerWaalsContact CG1-CD1 3.41Å; V775-L780 HydrophobicContact CG1-CG 3.72Å; V775-L780 HydrophobicContact CG2-CD1 3.98Å; L780-I782 HydrophobicContact CB-CD1 3.89Å; L780-I782 HydrophobicContact CB-CG1 4.01Å; L780-I782 HydrophobicContact CD1-CD1 4.09Å; L780-I782 HydrophobicContact CD2-CD1 4.12Å; L780-I782 HydrophobicContact CG-CD1 4.26Å; L780-I782 WeakPolarHBondContact O-CG1 3.36Å; L780-I782 PolarHBondContact O-N 3.27Å; L780-I812 HydrophobicContact CD1-CB 4.25Å; L780-I812 HydrophobicContact CD1-CD1 4.33Å; L780-I812 HydrophobicContact CD1-CG2 4.12Å; L780-L817 HydrophobicContact CD2-CD1 4.32Å
781E54.2Low59.9Low122 Ų12273 Ų7357%0.5739%0.389SS*.  trans45.331.6-179.8-124.9171.3-170.600114.4R749 N777 N783R749-E781 IonicContact CZ-OE2 3.45Å; R749-E781 IonicContact NH2-OE1 2.78Å; R749-E781 IonicContact NH2-OE2 2.74Å; R749-E781 PolarHBondContact NH2-OE2 3.48Å; N777-E781 PolarHBondContact O-N 3.17Å; E781-N783 PolarHBondContact O-N 2.89Å
782I51.2Low59.3Low30 Ų3073.1 Ų73.115%0.15439%0.388CS..  trans-80.862.6177.6-55165.1000108.6L780 N788 I812L780-I782 HydrophobicContact CB-CD1 3.89Å; L780-I782 HydrophobicContact CB-CG1 4.01Å; L780-I782 HydrophobicContact CD1-CD1 4.09Å; L780-I782 HydrophobicContact CD2-CD1 4.12Å; L780-I782 HydrophobicContact CG-CD1 4.26Å; L780-I782 WeakPolarHBondContact O-CG1 3.36Å; L780-I782 PolarHBondContact O-N 3.27Å; I782-N788 HydrophobicContact CG2-CB 4.29Å; I782-N788 VanDerWaalsContact CG2-OD1 3.25Å; I782-N788 WeakPolarHBondContact CG2-OD1 3.28Å; I782-I812 HydrophobicContact CD1-CD1 3.27Å
783N47.2Very low58.9Low136 Ų13672.9 Ų72.973%0.72738%0.379SS*.  trans-94.2-6.8173.1-84.5-16.5000112.7E781 K785E781-N783 PolarHBondContact O-N 2.89Å; N783-K785 PolarHBondContact O-N 3.45Å
784N45.7Very low57.9Low104 Ų10469.8 Ų69.856%0.55636%0.362SS*.  trans-80114.4170-74.6-5.2000108.4E786 S787 N788N784-E786 PolarHBondContact O-N 3.23Å; N784-S787 WeakPolarHBondContact O-CB 3.45Å; N784-S787 PolarHBondContact O-N 2.72Å; N784-N788 PolarHBondContact O-N 2.75Å
785K47.3Very low57.2Low190 Ų19066.2 Ų66.283%0.82634%0.338SS*.Hα-helixtrans-49.3-31.4171.6-77.1-175.4174.5-179.10112.1N783 S789N783-K785 PolarHBondContact O-N 3.45Å; K785-S789 PolarHBondContact O-N 2.94Å; K785-S789 VanDerWaalsContact O-N 3.07Å
786E47.6Very low57Low143 Ų14370.7 Ų70.767%0.66836%0.357SS*.Hα-helixtrans-57.9-50.6172.2-75.5-179.5153.300112.2N784 N788 S789 T790N784-E786 PolarHBondContact O-N 3.23Å; E786-N788 PolarHBondContact O-N 2.98Å; E786-S789 WeakPolarHBondContact O-CA 3.48Å; E786-S789 WeakPolarHBondContact O-CB 3.3Å; E786-S789 PolarHBondContact O-N 2.9Å; E786-S789 PolarHBondContact O-OG 2.69Å; E786-T790 PolarHBondContact O-N 3.41Å; E786-T790 PolarHBondContact O-OG1 3.42Å
787S50.6Low56.6Low40 Ų4074.8 Ų74.828%0.2838%0.375SS..Hα-helixtrans-63.3-38.8-176.9-51.50000112.9N784 T790 L791N784-S787 WeakPolarHBondContact O-CB 3.45Å; N784-S787 PolarHBondContact O-N 2.72Å; S787-T790 PolarHBondContact O-N 2.96Å; S787-L791 WeakPolarHBondContact O-CB 3.42Å; S787-L791 PolarHBondContact O-N 2.79Å
788N53.5Low56.1Low58 Ų5873.3 Ų73.331%0.3136%0.364SS..Hα-helixtrans-66-38.8172.8-95.1-22.7000111.6I782 N784 E786 L791 L792I782-N788 HydrophobicContact CG2-CB 4.29Å; I782-N788 VanDerWaalsContact CG2-OD1 3.25Å; I782-N788 WeakPolarHBondContact CG2-OD1 3.28Å; N784-N788 PolarHBondContact O-N 2.75Å; E786-N788 PolarHBondContact O-N 2.98Å; N788-L791 PolarHBondContact O-N 3.36Å; N788-L792 WeakPolarHBondContact O-CB 3.45Å; N788-L792 PolarHBondContact O-N 2.89Å
789S56.6Low55.9Low55 Ų5567.2 Ų67.239%0.38534%0.339SS..Hα-helixtrans-66-41.1176.574.30000112K785 E786 L792 N793K785-S789 PolarHBondContact O-N 2.94Å; K785-S789 VanDerWaalsContact O-N 3.07Å; E786-S789 WeakPolarHBondContact O-CA 3.48Å; E786-S789 WeakPolarHBondContact O-CB 3.3Å; E786-S789 PolarHBondContact O-N 2.9Å; E786-S789 PolarHBondContact O-OG 2.69Å; S789-L792 PolarHBondContact O-N 3.16Å; S789-N793 WeakPolarHBondContact O-CB 3.5Å; S789-N793 PolarHBondContact O-N 2.84Å; S789-N793 PolarHBondContact O-ND2 3.17Å
790T57.5Low56Low52 Ų5270.9 Ų70.932%0.31936%0.363SS..Hα-helixtrans-63.3-49175.7-47.90000110.2A738 E786 S787 L792 N793 I794A738-T790 HydrophobicContact CB-CG2 3.85Å; E786-T790 PolarHBondContact O-N 3.41Å; E786-T790 PolarHBondContact O-OG1 3.42Å; S787-T790 PolarHBondContact O-N 2.96Å; T790-L792 PolarHBondContact O-N 3.44Å; T790-N793 PolarHBondContact O-N 2.94Å; T790-I794 HydrophobicContact CG2-CD1 3.94Å; T790-I794 WeakPolarHBondContact O-CD1 3.46Å; T790-I794 WeakPolarHBondContact O-CG1 3.37Å; T790-I794 PolarHBondContact O-N 3.48Å
791L58.4Low56.4Low4 Ų476.7 Ų76.72%0.02140%0.395CS..Hα-helixtrans-62.4-42.2178.7-164.873.4000112.5I742 S787 N788 N793 I794 L795 I812 L820I742-L791 HydrophobicContact CD1-CD1 3.32Å; I742-L791 HydrophobicContact CD1-CD2 4.32Å; I742-L791 HydrophobicContact CD1-CG 4.35Å; S787-L791 WeakPolarHBondContact O-CB 3.42Å; S787-L791 PolarHBondContact O-N 2.79Å; N788-L791 PolarHBondContact O-N 3.36Å; L791-N793 VanDerWaalsContact C-N 3.34Å; L791-I794 PolarHBondContact O-N 3.49Å; L791-L795 HydrophobicContact CD2-CD1 4.5Å; L791-L795 HydrophobicContact CG-CD1 4.21Å; L791-L795 WeakPolarHBondContact O-CB 3.49Å; L791-L795 WeakPolarHBondContact O-CG 3.17Å; L791-L795 PolarHBondContact O-N 3.34Å; L791-I812 HydrophobicContact CD2-CD1 3.22Å; L791-I812 HydrophobicContact CD2-CG1 3.96Å; L791-L820 HydrophobicContact CD1-CD1 4.27Å; L791-L820 HydrophobicContact CD2-CD1 4.45Å
792L61.6Low56.8Low32 Ų3271.7 Ų71.717%0.16837%0.372CS..Hα-helixtrans-65-39.6178.1-169.579.4000111.2N788 S789 T790 L795 K796 L806 N807N788-L792 WeakPolarHBondContact O-CB 3.45Å; N788-L792 PolarHBondContact O-N 2.89Å; S789-L792 PolarHBondContact O-N 3.16Å; T790-L792 PolarHBondContact O-N 3.44Å; L792-L795 PolarHBondContact O-N 3.27Å; L792-K796 VanDerWaalsContact O-CG 3.32Å; L792-K796 WeakPolarHBondContact O-CG 3.49Å; L792-K796 PolarHBondContact O-N 3.15Å; L792-L806 HydrophobicContact CD1-CB 3.85Å; L792-N807 WeakPolarHBondContact CD2-OD1 3.38Å
793N63.3Low57.3Low92 Ų9270.4 Ų70.449%0.49237%0.365SS..Hα-helixtrans-65.2-45.7176.1-71.8-16.9000111.3S789 T790 L791 L795 K796 E797S789-N793 WeakPolarHBondContact O-CB 3.5Å; S789-N793 PolarHBondContact O-N 2.84Å; S789-N793 PolarHBondContact O-ND2 3.17Å; T790-N793 PolarHBondContact O-N 2.94Å; L791-N793 VanDerWaalsContact C-N 3.34Å; N793-L795 VanDerWaalsContact C-N 3.31Å; N793-L795 PolarHBondContact O-N 3.46Å; N793-K796 WeakPolarHBondContact O-CB 3.25Å; N793-K796 PolarHBondContact O-N 2.96Å; N793-E797 PolarHBondContact O-N 3.07Å
794I57.1Low58.1Low7 Ų767.5 Ų67.54%0.03635%0.352CS..Hα-helixtrans-56.6-48174.1-67.2165000110.1E735 A738 I739 T790 L791 K796 E797 F798E735-I794 HydrophobicContact CB-CD1 4.12Å; E735-I794 HydrophobicContact CB-CG1 3.89Å; E735-I794 HydrophobicContact CB-CG2 4.27Å; E735-I794 HydrophobicContact CG-CD1 4.46Å; E735-I794 HydrophobicContact CG-CG1 3.74Å; E735-I794 HydrophobicContact CG-CG2 4.45Å; A738-I794 HydrophobicContact CB-CD1 3.61Å; I739-I794 HydrophobicContact CD1-CG2 4.07Å; T790-I794 HydrophobicContact CG2-CD1 3.94Å; T790-I794 WeakPolarHBondContact O-CD1 3.46Å; T790-I794 WeakPolarHBondContact O-CG1 3.37Å; T790-I794 PolarHBondContact O-N 3.48Å; L791-I794 PolarHBondContact O-N 3.49Å; I794-K796 VanDerWaalsContact C-N 3.34Å; I794-K796 PolarHBondContact O-N 3.47Å; I794-E797 WeakPolarHBondContact O-CB 3.49Å; I794-E797 PolarHBondContact O-N 3.23Å; I794-E797 VanDerWaalsContact O-N 3.09Å; I794-F798 HydrophobicContact CG2-CD2 3.65Å; I794-F798 HydrophobicContact CG2-CE2 3.95Å; I794-F798 VanDerWaalsContact O-CD2 3.25Å; I794-F798 WeakPolarHBondContact O-CD2 3.37Å; I794-F798 PolarHBondContact O-N 2.71Å
795L58Low58.8Low0 Ų066.7 Ų66.70%035%0.345CS..Hα-helixtrans-65.1-36.1-179.7-78.9172.4000113.1L791 L792 N793 E797 F798 S799 L802 A803 L806 I816 L820L791-L795 HydrophobicContact CD2-CD1 4.5Å; L791-L795 HydrophobicContact CG-CD1 4.21Å; L791-L795 WeakPolarHBondContact O-CB 3.49Å; L791-L795 WeakPolarHBondContact O-CG 3.17Å; L791-L795 PolarHBondContact O-N 3.34Å; L792-L795 PolarHBondContact O-N 3.27Å; N793-L795 VanDerWaalsContact C-N 3.31Å; N793-L795 PolarHBondContact O-N 3.46Å; L795-E797 PolarHBondContact O-N 2.93Å; L795-F798 PolarHBondContact O-N 3.16Å; L795-S799 CarbonylContact O-C 2.99Å; L795-S799 WeakPolarHBondContact O-CA 3.45Å; L795-S799 PolarHBondContact O-N 2.85Å; L795-L802 HydrophobicContact CD1-CD2 4.48Å; L795-L802 HydrophobicContact CD2-CB 4.34Å; L795-L802 HydrophobicContact CD2-CD2 3.51Å; L795-L802 HydrophobicContact CD2-CG 4.42Å; L795-A803 HydrophobicContact CB-CB 4.07Å; L795-L806 HydrophobicContact CD1-CD1 3.07Å; L795-L806 HydrophobicContact CD1-CG 4.5Å; L795-I816 HydrophobicContact CD1-CG2 4.49Å; L795-L820 HydrophobicContact CD1-CD1 4.36Å; L795-L820 HydrophobicContact CD2-CD1 4.29Å; L795-L820 HydrophobicContact CD2-CD2 3.33Å; L795-L820 HydrophobicContact CD2-CG 3.91Å; L795-L820 HydrophobicContact CG-CD2 4.08Å
796K65.2Low59.4Low99 Ų9958.1 Ų58.143%0.4331%0.309SS..Hα-helixtrans-60.2-30.6174.6-77.3174.4-177170.90111.8L792 N793 I794 A803L792-K796 VanDerWaalsContact O-CG 3.32Å; L792-K796 WeakPolarHBondContact O-CG 3.49Å; L792-K796 PolarHBondContact O-N 3.15Å; N793-K796 WeakPolarHBondContact O-CB 3.25Å; N793-K796 PolarHBondContact O-N 2.96Å; I794-K796 VanDerWaalsContact C-N 3.34Å; I794-K796 PolarHBondContact O-N 3.47Å; K796-A803 HydrophobicContact CB-CB 4.16Å; K796-A803 HydrophobicContact CG-CB 3.46Å; K796-A803 VanDerWaalsContact CG-CB 3.46Å
797E60.8Low59.9Low134 Ų13456 Ų5663%0.62630%0.302SS*.Hα-helixtrans-82.4-44.8-178.5-158.2166.8-160.300112.1N793 I794 L795N793-E797 PolarHBondContact O-N 3.07Å; I794-E797 WeakPolarHBondContact O-CB 3.49Å; I794-E797 PolarHBondContact O-N 3.23Å; I794-E797 VanDerWaalsContact O-N 3.09Å; L795-E797 PolarHBondContact O-N 2.93Å
798F54.5Low60.4Low77 Ų7763.8 Ų63.834%0.33833%0.325SS..Hα-helixtrans-88.4-29.8-176-71.5-70.6000114.9E735 I794 L795E735-F798 HydrophobicContact CB-CE2 4.18Å; E735-F798 HydrophobicContact CG-CE2 4.03Å; I794-F798 HydrophobicContact CG2-CD2 3.65Å; I794-F798 HydrophobicContact CG2-CE2 3.95Å; I794-F798 VanDerWaalsContact O-CD2 3.25Å; I794-F798 WeakPolarHBondContact O-CD2 3.37Å; I794-F798 PolarHBondContact O-N 2.71Å; L795-F798 PolarHBondContact O-N 3.16Å
799S63.4Low60.6Low19 Ų1965.4 Ų65.413%0.13333%0.334CS..  trans-154.384.8179.7-171.50000110.1L795 D801 L802 A803L795-S799 CarbonylContact O-C 2.99Å; L795-S799 WeakPolarHBondContact O-CA 3.45Å; L795-S799 PolarHBondContact O-N 2.85Å; S799-D801 PolarHBondContact O-N 3.25Å; S799-D801 VanDerWaalsContact O-N 3.08Å; S799-L802 PolarHBondContact O-N 3.36Å; S799-A803 PolarHBondContact O-N 3.09Å; S799-A803 VanDerWaalsContact O-N 3.09Å
800P64.3Low60.7Low80 Ų8065 Ų6552%0.51934%0.338SS..Hα-helixtrans-51.2-37.1-179.9-24.430.9000112.4A803 V804P800-A803 PolarHBondContact O-N 2.88Å; P800-V804 WeakPolarHBondContact O-CG2 3.31Å; P800-V804 PolarHBondContact O-N 3.08Å
801D65.6Low61.1Low136 Ų13669.7 Ų69.773%0.72735%0.351SS*.Hα-helixtrans-61.8-43.7177.9-61.3-33.4000112.2S799 V804 E805S799-D801 PolarHBondContact O-N 3.25Å; S799-D801 VanDerWaalsContact O-N 3.08Å; D801-V804 WeakPolarHBondContact O-CB 3.45Å; D801-V804 PolarHBondContact O-N 3.05Å; D801-E805 PolarHBondContact O-N 3.49Å
802L63.3Low61.4Low18 Ų1870.1 Ų70.19%0.09435%0.353CS..Hα-helixtrans-69.9-35.1178.6-149.977.9000111.6L795 S799 V804 E805 L806 I816L795-L802 HydrophobicContact CD1-CD2 4.48Å; L795-L802 HydrophobicContact CD2-CB 4.34Å; L795-L802 HydrophobicContact CD2-CD2 3.51Å; L795-L802 HydrophobicContact CD2-CG 4.42Å; S799-L802 PolarHBondContact O-N 3.36Å; L802-V804 VanDerWaalsContact C-N 3.31Å; L802-V804 PolarHBondContact O-N 3.3Å; L802-E805 WeakPolarHBondContact O-CB 3.47Å; L802-E805 PolarHBondContact O-N 3.32Å; L802-L806 PolarHBondContact O-N 3.46Å; L802-I816 HydrophobicContact CD1-CG1 3.95Å; L802-I816 HydrophobicContact CD2-CB 4.33Å; L802-I816 HydrophobicContact CD2-CG1 4.32Å; L802-I816 HydrophobicContact CD2-CG2 3.79Å; L802-I816 HydrophobicContact CG-CG1 4.03Å; L802-I816 HydrophobicContact CG-CG2 4.27Å
803A62.6Low62.1Low2 Ų269.2 Ų69.22%0.01735%0.348CS..Hα-helixtrans-65-34.9174.300000112.7L795 K796 S799 P800 E805 N807L795-A803 HydrophobicContact CB-CB 4.07Å; K796-A803 HydrophobicContact CB-CB 4.16Å; K796-A803 HydrophobicContact CG-CB 3.46Å; K796-A803 VanDerWaalsContact CG-CB 3.46Å; S799-A803 PolarHBondContact O-N 3.09Å; S799-A803 VanDerWaalsContact O-N 3.09Å; P800-A803 PolarHBondContact O-N 2.88Å; A803-E805 VanDerWaalsContact C-N 3.32Å; A803-N807 WeakPolarHBondContact O-CB 3.44Å; A803-N807 PolarHBondContact O-N 2.77Å
804V62.7Low62.5Low75 Ų7565 Ų6546%0.45533%0.325SS..Hα-helixtrans-64-40.6172173.10000110.6P800 D801 L802 N807 R808P800-V804 WeakPolarHBondContact O-CG2 3.31Å; P800-V804 PolarHBondContact O-N 3.08Å; D801-V804 WeakPolarHBondContact O-CB 3.45Å; D801-V804 PolarHBondContact O-N 3.05Å; L802-V804 VanDerWaalsContact C-N 3.31Å; L802-V804 PolarHBondContact O-N 3.3Å; V804-N807 PolarHBondContact O-N 3.22Å; V804-R808 WeakPolarHBondContact O-CG 3.36Å; V804-R808 PolarHBondContact O-N 3.29Å; V804-R808 VanDerWaalsContact O-N 3.12Å
805E60.8Low63.2Low88 Ų8866.2 Ų66.241%0.41134%0.337SS..Hα-helixtrans-64.7-42.5178.5-151.2174.2-15800112D801 L802 A803 R808 N809D801-E805 PolarHBondContact O-N 3.49Å; L802-E805 WeakPolarHBondContact O-CB 3.47Å; L802-E805 PolarHBondContact O-N 3.32Å; A803-E805 VanDerWaalsContact C-N 3.32Å; E805-R808 PolarHBondContact O-N 3.06Å; E805-N809 PolarHBondContact O-N 3.2Å
806L60.7Low63.8Low10 Ų1066.2 Ų66.25%0.05234%0.337CS..Hα-helixtrans-66.5-39.9173.9-114153.2000112.9L792 L795 L802 R808 N809 G810 I812 I816L792-L806 HydrophobicContact CD1-CB 3.85Å; L795-L806 HydrophobicContact CD1-CD1 3.07Å; L795-L806 HydrophobicContact CD1-CG 4.5Å; L802-L806 PolarHBondContact O-N 3.46Å; L806-R808 PolarHBondContact O-N 3.41Å; L806-N809 PolarHBondContact O-N 3.02Å; L806-G810 WeakPolarHBondContact O-CA 3.46Å; L806-G810 PolarHBondContact O-N 3.23Å; L806-I812 HydrophobicContact CD2-CG1 4.01Å; L806-I816 HydrophobicContact CD1-CD1 4.3Å; L806-I816 HydrophobicContact CD1-CG2 3.82Å; L806-I816 HydrophobicContact CG-CD1 4.09Å
807N57.6Low64.1Low98 Ų9861.8 Ų61.852%0.52432%0.318SS..Hα-helixtrans-59.4-34.6174-92.3-22.1000112.6L792 A803 V804L792-N807 WeakPolarHBondContact CD2-OD1 3.38Å; A803-N807 WeakPolarHBondContact O-CB 3.44Å; A803-N807 PolarHBondContact O-N 2.77Å; V804-N807 PolarHBondContact O-N 3.22Å
808R59.9Low64.6Low204 Ų20455.8 Ų55.877%0.7729%0.29SS*.Hα-helixtrans-72.7-42.6178.6-75.5-179178.8-178.51.5112.5V804 E805 L806V804-R808 WeakPolarHBondContact O-CG 3.36Å; V804-R808 PolarHBondContact O-N 3.29Å; V804-R808 VanDerWaalsContact O-N 3.12Å; E805-R808 PolarHBondContact O-N 3.06Å; L806-R808 PolarHBondContact O-N 3.41Å
809N58.1Low65.4Low92 Ų9255.9 Ų55.949%0.49229%0.291SS..Hα-helixtrans-98.4-20-169.2-66.7-16.9000113.6E805 L806 Y811E805-N809 PolarHBondContact O-N 3.2Å; L806-N809 PolarHBondContact O-N 3.02Å; N809-Y811 WeakPolarHBondContact O-CD2 3.37Å; N809-Y811 PolarHBondContact O-N 3.41Å
810G59.7Low65.6Low45 Ų4555.6 Ų55.646%0.46429%0.288SS..SBendtrans66.5-2.3-179.800000115.4L806L806-G810 WeakPolarHBondContact O-CA 3.46Å; L806-G810 PolarHBondContact O-N 3.23Å
811Y64.6Low65.8Low151 Ų15152.6 Ų52.659%0.59227%0.267SS*.SBendtrans-130.6146.9-177.6-58.8-75.1000110.8N809N809-Y811 WeakPolarHBondContact O-CD2 3.37Å; N809-Y811 PolarHBondContact O-N 3.41Å
812I66.1Low66Low14 Ų1448.9 Ų48.97%0.07225%0.248CC..  trans-82.3125.7173.7-59.9169.6000108.5V775 L780 I782 L791 L806 I816 L817V775-I812 HydrophobicContact CG2-CG2 4.25Å; V775-I812 WeakPolarHBondContact CG2-O 3.27Å; V775-I812 PolarHBondContact N-O 2.95Å; L780-I812 HydrophobicContact CD1-CB 4.25Å; L780-I812 HydrophobicContact CD1-CD1 4.33Å; L780-I812 HydrophobicContact CD1-CG2 4.12Å; I782-I812 HydrophobicContact CD1-CD1 3.27Å; L791-I812 HydrophobicContact CD2-CD1 3.22Å; L791-I812 HydrophobicContact CD2-CG1 3.96Å; L806-I812 HydrophobicContact CD2-CG1 4.01Å; I812-I816 HydrophobicContact CG2-CG2 4.3Å; I812-L817 HydrophobicContact CG2-CB 4.26Å
813N75.1Confident66Low13 Ų1350.5 Ų50.57%0.0726%0.256CS..BIsolated β-bridgetrans-100.6168.3171.267.923.6000111.4S772 D773 A815 I816 L817S772-N813 VanDerWaalsContact O-CB 3.32Å; S772-N813 WeakPolarHBondContact O-CB 3.31Å; D773-N813 WeakPolarHBondContact O-CA 3.42Å; D773-N813 WeakPolarHBondContact O-CB 3.15Å; N813-A815 VanDerWaalsContact C-N 3.29Å; N813-A815 PolarHBondContact O-N 3.1Å; N813-A815 PolarHBondContact OD1-N 2.86Å; N813-I816 PolarHBondContact O-N 3.25Å; N813-I816 VanDerWaalsContact OD1-CB 3.29Å; N813-I816 WeakPolarHBondContact OD1-CB 3.36Å; N813-I816 WeakPolarHBondContact OD1-CD1 3.43Å; N813-I816 WeakPolarHBondContact OD1-CG1 3.25Å; N813-I816 PolarHBondContact OD1-N 3.4Å; N813-L817 PolarHBondContact O-N 2.84Å; N813-L817 VanDerWaalsContact O-N 3.08Å
814Y72.8Confident65.8Low2 Ų251 Ų511%0.00826%0.258CS..Hα-helixtrans-65.9-32.3-176.7-62.5-85.6000112.8E763 K766 L767 C771 D773 C774 V775 N776 L817 M818E763-Y814 PolarHBondContact OE1-OH 3.34Å; E763-Y814 VanDerWaalsContact OE1-OH 3.13Å; E763-Y814 WeakPolarHBondContact OE2-CE1 3.38Å; E763-Y814 VanDerWaalsContact OE2-CZ 3.26Å; E763-Y814 PolarHBondContact OE2-OH 2.77Å; K766-Y814 HydrophobicContact CB-CD1 4.21Å; K766-Y814 HydrophobicContact CB-CD2 3.92Å; K766-Y814 HydrophobicContact CB-CE1 4.05Å; K766-Y814 HydrophobicContact CB-CE2 3.79Å; K766-Y814 HydrophobicContact CB-CG 4.13Å; K766-Y814 HydrophobicContact CD-CD2 4.39Å; K766-Y814 HydrophobicContact CD-CE2 3.62Å; K766-Y814 HydrophobicContact CG-CE2 4.33Å; L767-Y814 HydrophobicContact CD2-CD1 3.93Å; L767-Y814 HydrophobicContact CG-CD1 3.76Å; L767-Y814 HydrophobicContact CG-CE1 4.24Å; C771-Y814 HydrophobicContact CB-CD2 4.31Å; C771-Y814 WeakPolarHBondContact O-CB 3.15Å; C771-Y814 PolarHBondContact O-N 2.72Å; D773-Y814 HydrophobicContact CB-CD2 4.08Å; D773-Y814 HydrophobicContact CB-CE2 4.04Å; D773-Y814 WeakPolarHBondContact O-CD2 3.48Å; D773-Y814 PolarHBondContact O-N 2.79Å; C774-Y814 WeakPolarHBondContact O-CE2 3.28Å; V775-Y814 HydrophobicContact CB-CE1 4.22Å; V775-Y814 HydrophobicContact CG1-CD1 4.49Å; V775-Y814 HydrophobicContact CG1-CE1 3.92Å; V775-Y814 HydrophobicContact CG2-CD1 3.79Å; V775-Y814 HydrophobicContact CG2-CD2 4.25Å; V775-Y814 HydrophobicContact CG2-CE1 3.97Å; V775-Y814 HydrophobicContact CG2-CE2 4.36Å; V775-Y814 HydrophobicContact CG2-CG 3.95Å; N776-Y814 PolarHBondContact N-OH 3.15Å; Y814-L817 PolarHBondContact O-N 3.19Å; Y814-M818 WeakPolarHBondContact O-CB 3.32Å; Y814-M818 WeakPolarHBondContact O-CG 3.34Å; Y814-M818 PolarHBondContact O-N 2.74Å
815A71.6Confident65.8Low33 Ų3348.8 Ų48.827%0.27324%0.244SC..Hα-helixtrans-60.9-48.2175.300000112C771 N813 M818 H819C771-A815 PolarHBondContact O-N 3.21Å; C771-A815 VanDerWaalsContact O-N 3.16Å; N813-A815 VanDerWaalsContact C-N 3.29Å; N813-A815 PolarHBondContact O-N 3.1Å; N813-A815 PolarHBondContact OD1-N 2.86Å; A815-M818 PolarHBondContact O-N 3.35Å; A815-H819 WeakPolarHBondContact O-CB 3.32Å; A815-H819 PolarHBondContact O-N 2.78Å
816I71.2Confident65.9Low0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-61.7-45.4176.3-70.5168.5000110.4L795 L802 L806 I812 N813 M818 H819 L820L795-I816 HydrophobicContact CD1-CG2 4.49Å; L802-I816 HydrophobicContact CD1-CG1 3.95Å; L802-I816 HydrophobicContact CD2-CB 4.33Å; L802-I816 HydrophobicContact CD2-CG1 4.32Å; L802-I816 HydrophobicContact CD2-CG2 3.79Å; L802-I816 HydrophobicContact CG-CG1 4.03Å; L802-I816 HydrophobicContact CG-CG2 4.27Å; L806-I816 HydrophobicContact CD1-CD1 4.3Å; L806-I816 HydrophobicContact CD1-CG2 3.82Å; L806-I816 HydrophobicContact CG-CD1 4.09Å; I812-I816 HydrophobicContact CG2-CG2 4.3Å; N813-I816 PolarHBondContact O-N 3.25Å; N813-I816 VanDerWaalsContact OD1-CB 3.29Å; N813-I816 WeakPolarHBondContact OD1-CB 3.36Å; N813-I816 WeakPolarHBondContact OD1-CD1 3.43Å; N813-I816 WeakPolarHBondContact OD1-CG1 3.25Å; N813-I816 PolarHBondContact OD1-N 3.4Å; I816-M818 PolarHBondContact O-N 3.36Å; I816-H819 PolarHBondContact O-N 3.46Å; I816-L820 HydrophobicContact CG2-CD1 4.13Å; I816-L820 WeakPolarHBondContact O-CB 3.29Å; I816-L820 WeakPolarHBondContact O-CG 3.4Å; I816-L820 PolarHBondContact O-N 3.25Å
817L70.6Confident65.6Low7 Ų755.5 Ų55.54%0.03727%0.273CS..Hα-helixtrans-62-43.3179.9-174.267.8000112.2I742 Y746 L767 V775 L780 I812 N813 Y814 L820 I821I742-L817 HydrophobicContact CG2-CD1 4.05Å; Y746-L817 HydrophobicContact CD2-CD2 4.24Å; Y746-L817 HydrophobicContact CE2-CD2 4.06Å; L767-L817 HydrophobicContact CD2-CD2 4.04Å; V775-L817 HydrophobicContact CG2-CB 4.47Å; V775-L817 HydrophobicContact CG2-CD2 4.16Å; L780-L817 HydrophobicContact CD2-CD1 4.32Å; I812-L817 HydrophobicContact CG2-CB 4.26Å; N813-L817 PolarHBondContact O-N 2.84Å; N813-L817 VanDerWaalsContact O-N 3.08Å; Y814-L817 PolarHBondContact O-N 3.19Å; L817-L820 WeakPolarHBondContact O-CB 3.47Å; L817-L820 PolarHBondContact O-N 3.19Å; L817-I821 HydrophobicContact CG-CD1 4.41Å; L817-I821 WeakPolarHBondContact O-CG1 3.49Å; L817-I821 PolarHBondContact O-N 2.98Å
818M72.5Confident65.2Low7 Ų751.5 Ų51.53%0.03425%0.252CS..Hα-helixtrans-69.4-37.7177.5-75.1-58.1-59.700112.3M712 L767 Y770 Y814 A815 I816 L820 I821 D822M712-M818 HydrophobicContact CE-CE 4.37Å; M712-M818 HydrophobicContact CE-SD 3.75Å; L767-M818 HydrophobicContact CB-SD 4.49Å; L767-M818 HydrophobicContact CD2-CG 4.02Å; L767-M818 HydrophobicContact CD2-SD 3.7Å; Y770-M818 HydrophobicContact CD1-CB 3.85Å; Y770-M818 HydrophobicContact CD1-CG 4.4Å; Y770-M818 HydrophobicContact CE1-CB 3.6Å; Y770-M818 HydrophobicContact CE1-CG 4.27Å; Y814-M818 WeakPolarHBondContact O-CB 3.32Å; Y814-M818 WeakPolarHBondContact O-CG 3.34Å; Y814-M818 PolarHBondContact O-N 2.74Å; A815-M818 PolarHBondContact O-N 3.35Å; I816-M818 PolarHBondContact O-N 3.36Å; M818-L820 VanDerWaalsContact C-N 3.33Å; M818-L820 PolarHBondContact O-N 3.35Å; M818-I821 WeakPolarHBondContact O-CB 3.38Å; M818-I821 PolarHBondContact O-N 3.34Å; M818-I821 HydrophobicContact SD-CD1 4.05Å; M818-D822 PolarHBondContact O-N 3.02Å
819H71.2Confident64.8Low80 Ų8046.1 Ų46.137%0.3724%0.242SC..Hα-helixtrans-63.7-41.1175.8-164.371.7000111.9A815 I816 D822 L823A815-H819 WeakPolarHBondContact O-CB 3.32Å; A815-H819 PolarHBondContact O-N 2.78Å; I816-H819 PolarHBondContact O-N 3.46Å; H819-D822 PolarHBondContact O-N 3.28Å; H819-L823 WeakPolarHBondContact O-CG 2.97Å; H819-L823 PolarHBondContact O-N 2.89Å
820L67.5Low64.4Low13 Ų1345.4 Ų45.47%0.06824%0.244CC..Hα-helixtrans-57.8-47.8171.5-83.2168.7000111.8L791 L795 I816 L817 M818 D822 L823 L824L791-L820 HydrophobicContact CD1-CD1 4.27Å; L791-L820 HydrophobicContact CD2-CD1 4.45Å; L795-L820 HydrophobicContact CD1-CD1 4.36Å; L795-L820 HydrophobicContact CD2-CD1 4.29Å; L795-L820 HydrophobicContact CD2-CD2 3.33Å; L795-L820 HydrophobicContact CD2-CG 3.91Å; L795-L820 HydrophobicContact CG-CD2 4.08Å; I816-L820 HydrophobicContact CG2-CD1 4.13Å; I816-L820 WeakPolarHBondContact O-CB 3.29Å; I816-L820 WeakPolarHBondContact O-CG 3.4Å; I816-L820 PolarHBondContact O-N 3.25Å; L817-L820 WeakPolarHBondContact O-CB 3.47Å; L817-L820 PolarHBondContact O-N 3.19Å; M818-L820 VanDerWaalsContact C-N 3.33Å; M818-L820 PolarHBondContact O-N 3.35Å; L820-D822 VanDerWaalsContact C-N 3.32Å; L820-D822 PolarHBondContact O-N 3.04Å; L820-L823 PolarHBondContact O-N 2.88Å; L820-L824 WeakPolarHBondContact O-CD1 2.99Å; L820-L824 VanDerWaalsContact O-CG 3.29Å; L820-L824 WeakPolarHBondContact O-CG 3.46Å; L820-L824 PolarHBondContact O-N 3.37Å; L820-L824 VanDerWaalsContact O-N 3.11Å
821I67.8Low63.6Low16 Ų1651.2 Ų51.28%0.08225%0.253CS..Hα-helixtrans-56.3-45.1175.9-74.6167.3000111.7V715 L719 L817 M818 L824 L825V715-I821 HydrophobicContact CG1-CG2 3.5Å; V715-I821 VanDerWaalsContact CG1-CG2 3.5Å; L719-I821 HydrophobicContact CD1-CD1 4.43Å; L719-I821 HydrophobicContact CD1-CG1 4.11Å; L719-I821 HydrophobicContact CD1-CG2 3.78Å; L817-I821 HydrophobicContact CG-CD1 4.41Å; L817-I821 WeakPolarHBondContact O-CG1 3.49Å; L817-I821 PolarHBondContact O-N 2.98Å; M818-I821 WeakPolarHBondContact O-CB 3.38Å; M818-I821 PolarHBondContact O-N 3.34Å; M818-I821 HydrophobicContact SD-CD1 4.05Å; I821-L824 PolarHBondContact O-N 3.38Å; I821-L825 HydrophobicContact CG2-CD1 4.34Å; I821-L825 WeakPolarHBondContact O-CG 3.37Å; I821-L825 PolarHBondContact O-N 3.04Å; I821-L825 VanDerWaalsContact O-N 3.09Å
822D68.9Low62.4Low59 Ų5950.2 Ų50.232%0.31625%0.252SS..Hα-helixtrans-68.1-40.3-180-84.9-12.7000112.7M818 H819 L820 L824 L825 K826M818-D822 PolarHBondContact O-N 3.02Å; H819-D822 PolarHBondContact O-N 3.28Å; L820-D822 VanDerWaalsContact C-N 3.32Å; L820-D822 PolarHBondContact O-N 3.04Å; D822-L824 VanDerWaalsContact C-N 3.27Å; D822-L824 PolarHBondContact O-N 3.23Å; D822-L825 PolarHBondContact O-N 2.92Å; D822-K826 PolarHBondContact O-N 3.3Å
823L65.2Low61Low51 Ų5156.3 Ų56.327%0.26730%0.296SS..Hα-helixtrans-59.2-40.5175.2-78.6168.4000111.5H819 L820 K826 Q827H819-L823 WeakPolarHBondContact O-CG 2.97Å; H819-L823 PolarHBondContact O-N 2.89Å; L820-L823 PolarHBondContact O-N 2.88Å; L823-K826 WeakPolarHBondContact O-CB 3.32Å; L823-K826 PolarHBondContact O-N 2.98Å; L823-Q827 PolarHBondContact O-N 2.95Å
824L58.3Low60.3Low13 Ų1358.5 Ų58.57%0.06831%0.307CS..Hα-helixtrans-67.7-44178.1-71.4152.8000113.4I739 L820 I821 D822 K826 Q827 C828I739-L824 HydrophobicContact CB-CD1 4.32Å; I739-L824 HydrophobicContact CB-CD2 4.21Å; I739-L824 HydrophobicContact CD1-CD1 4.27Å; I739-L824 HydrophobicContact CD1-CD2 3.64Å; I739-L824 HydrophobicContact CD1-CG 4.15Å; I739-L824 HydrophobicContact CG1-CD2 4.49Å; I739-L824 HydrophobicContact CG2-CD1 3Å; I739-L824 HydrophobicContact CG2-CD2 3.47Å; I739-L824 VanDerWaalsContact CG2-CD2 3.47Å; I739-L824 HydrophobicContact CG2-CG 3.72Å; L820-L824 WeakPolarHBondContact O-CD1 2.99Å; L820-L824 VanDerWaalsContact O-CG 3.29Å; L820-L824 WeakPolarHBondContact O-CG 3.46Å; L820-L824 PolarHBondContact O-N 3.37Å; L820-L824 VanDerWaalsContact O-N 3.11Å; I821-L824 PolarHBondContact O-N 3.38Å; D822-L824 VanDerWaalsContact C-N 3.27Å; D822-L824 PolarHBondContact O-N 3.23Å; L824-K826 PolarHBondContact O-N 2.88Å; L824-Q827 PolarHBondContact O-N 3.03Å; L824-C828 WeakPolarHBondContact O-CB 3.38Å; L824-C828 PolarHBondContact O-N 3.23Å; L824-C828 PolarHBondContact O-SG 3.07Å
825L61.6Low59.6Low29 Ų2961.4 Ų61.415%0.15232%0.323CS..Hα-helixtrans-58.6-40.6176.1-76.5174.7000110V715 K718 L719 L722 I821 D822 C828 T829V715-L825 HydrophobicContact CG1-CD1 4.06Å; V715-L825 HydrophobicContact CG2-CD1 4.39Å; K718-L825 HydrophobicContact CB-CD2 4.06Å; L719-L825 HydrophobicContact CD2-CD2 4.18Å; L719-L825 HydrophobicContact CD2-CG 4.35Å; L719-L825 HydrophobicContact CG-CD2 4.43Å; L722-L825 HydrophobicContact CD1-CD2 3.96Å; I821-L825 HydrophobicContact CG2-CD1 4.34Å; I821-L825 WeakPolarHBondContact O-CG 3.37Å; I821-L825 PolarHBondContact O-N 3.04Å; I821-L825 VanDerWaalsContact O-N 3.09Å; D822-L825 PolarHBondContact O-N 2.92Å; L825-C828 PolarHBondContact O-N 3.14Å; L825-T829 PolarHBondContact O-N 3.03Å; L825-T829 PolarHBondContact O-OG1 2.98Å
826K63.5Low59Low147 Ų14763 Ų6364%0.63933%0.326SS*.Hα-helixtrans-62-48.3175.6-76.8-179.9179.9176.50112.7D822 L823 L824 T829 S830D822-K826 PolarHBondContact O-N 3.3Å; L823-K826 WeakPolarHBondContact O-CB 3.32Å; L823-K826 PolarHBondContact O-N 2.98Å; L824-K826 PolarHBondContact O-N 2.88Å; K826-T829 VanDerWaalsContact CA-OG1 3.29Å; K826-T829 WeakPolarHBondContact CA-OG1 3.47Å; K826-T829 PolarHBondContact O-N 3.5Å; K826-T829 PolarHBondContact O-OG1 3.33Å; K826-S830 PolarHBondContact O-N 3.48Å
827Q54Low58.3Low92 Ų9266.7 Ų66.743%0.4335%0.345SS..Hα-helixtrans-64.1-41.7177.6-91.6-168.2-27.700112.7L823 L824 T829 S830 Y831L823-Q827 PolarHBondContact O-N 2.95Å; L824-Q827 PolarHBondContact O-N 3.03Å; Q827-T829 VanDerWaalsContact C-N 3.34Å; Q827-T829 PolarHBondContact O-N 3Å; Q827-S830 WeakPolarHBondContact CA-OG 3.31Å; Q827-S830 PolarHBondContact O-N 3.12Å; Q827-S830 PolarHBondContact O-OG 2.68Å; Q827-Y831 WeakPolarHBondContact O-CB 3.04Å; Q827-Y831 PolarHBondContact O-N 3.17Å
828C49.4Very low57.5Low13 Ų1370.4 Ų70.49%0.08836%0.364CS..Hα-helixtrans-63.3-43.8175.9-66.40000110.2L722 L824 L825 S830 Y831 F832L722-C828 HydrophobicContact CD1-CB 3.8Å; L722-C828 HydrophobicContact CD2-CB 3.93Å; L824-C828 WeakPolarHBondContact O-CB 3.38Å; L824-C828 PolarHBondContact O-N 3.23Å; L824-C828 PolarHBondContact O-SG 3.07Å; L825-C828 PolarHBondContact O-N 3.14Å; C828-S830 VanDerWaalsContact C-N 3.29Å; C828-S830 PolarHBondContact O-N 3.2Å; C828-Y831 WeakPolarHBondContact O-CB 2.87Å; C828-Y831 PolarHBondContact O-N 3.26Å; C828-F832 HydrophobicContact CB-CD2 4.47Å; C828-F832 WeakPolarHBondContact O-CD2 3.45Å; C828-F832 PolarHBondContact O-N 3.28Å
829T51.2Low56.5Low92 Ų9274.7 Ų74.756%0.56439%0.386SS*.Hα-helixtrans-60.7-36.8174.740.40000112.8L825 K826 Q827 Y831 F832 S833L825-T829 PolarHBondContact O-N 3.03Å; L825-T829 PolarHBondContact O-OG1 2.98Å; K826-T829 VanDerWaalsContact CA-OG1 3.29Å; K826-T829 WeakPolarHBondContact CA-OG1 3.47Å; K826-T829 PolarHBondContact O-N 3.5Å; K826-T829 PolarHBondContact O-OG1 3.33Å; Q827-T829 VanDerWaalsContact C-N 3.34Å; Q827-T829 PolarHBondContact O-N 3Å; T829-Y831 VanDerWaalsContact C-N 3.27Å; T829-Y831 PolarHBondContact O-N 3.05Å; T829-F832 PolarHBondContact O-N 3.06Å; T829-S833 WeakPolarHBondContact O-CB 3.33Å; T829-S833 PolarHBondContact O-N 2.96Å; T829-S833 PolarHBondContact O-OG 3.49Å; T829-S833 VanDerWaalsContact O-OG 3.07Å
830S49.1Very low55.4Low76 Ų7674.3 Ų74.353%0.53139%0.387SS..Hα-helixtrans-71.2-22.517462.90000113.7K826 Q827 C828 S833K826-S830 PolarHBondContact O-N 3.48Å; Q827-S830 WeakPolarHBondContact CA-OG 3.31Å; Q827-S830 PolarHBondContact O-N 3.12Å; Q827-S830 PolarHBondContact O-OG 2.68Å; C828-S830 VanDerWaalsContact C-N 3.29Å; C828-S830 PolarHBondContact O-N 3.2Å; S830-S833 WeakPolarHBondContact CA-OG 3.44Å; S830-S833 PolarHBondContact O-OG 2.99Å
831Y42.8Very low54.5Low168 Ų16879 Ų7966%0.65941%0.412SS*.Hα-helixtrans-82.8-28.4178-151.8-89.3000112.2Q827 C828 T829Q827-Y831 WeakPolarHBondContact O-CB 3.04Å; Q827-Y831 PolarHBondContact O-N 3.17Å; C828-Y831 WeakPolarHBondContact O-CB 2.87Å; C828-Y831 PolarHBondContact O-N 3.26Å; T829-Y831 VanDerWaalsContact C-N 3.27Å; T829-Y831 PolarHBondContact O-N 3.05Å
832F39.9Very low53.4Low130 Ų13084.3 Ų84.357%0.5744%0.439SS*.Hα-helixtrans-99.6-13.5178.3-71.2-72.7000114.3L722 C828 T829L722-F832 HydrophobicContact CD2-CD2 3.94Å; L722-F832 HydrophobicContact CD2-CE2 3.43Å; L722-F832 VanDerWaalsContact CD2-CE2 3.43Å; L722-F832 HydrophobicContact CD2-CZ 4.28Å; C828-F832 HydrophobicContact CB-CD2 4.47Å; C828-F832 WeakPolarHBondContact O-CD2 3.45Å; C828-F832 PolarHBondContact O-N 3.28Å; T829-F832 PolarHBondContact O-N 3.06Å
833S37.1Very low52Low141 Ų14186.5 Ų86.599%0.98645%0.45SS*.  trans-79.6016767.20000110.4T829 S830T829-S833 WeakPolarHBondContact O-CB 3.33Å; T829-S833 PolarHBondContact O-N 2.96Å; T829-S833 PolarHBondContact O-OG 3.49Å; T829-S833 VanDerWaalsContact O-OG 3.07Å; S830-S833 WeakPolarHBondContact CA-OG 3.44Å; S830-S833 PolarHBondContact O-OG 2.99Å

Retrieved 833 of 833 residues in 704.8 ms (Link to these results)

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