A0A3Q0KCU1_SCHMA Loading...

Metallo phosphoesterase related

AlphaFold DB , UniProt , Accession A0A3Q0KCU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 403 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
1M42.9Very low55.4Low198 Ų198124.5 Ų124.598%0.97559%0.588SS**  0119.20-99.5175.3166.600109
2T38.1Very low57.5Low104 Ų104122.1 Ų122.164%0.63859%0.59SS**  trans-77.9150.8179.843.30000110.5K4 S5T2-K4 PolarHBondContact O-N 3.21Å; T2-S5 PolarHBondContact O-N 3.44Å; T2-S5 PolarHBondContact O-OG 3.31Å
3I49.9Very low59.6Low151 Ų151120.3 Ų120.377%0.77459%0.591SS**Hα-helixtrans-49.5-25.7178.2-68.1165.4000112.9S5 F6I3-S5 PolarHBondContact O-N 3.23Å; I3-F6 PolarHBondContact O-N 3.22Å
4K49.9Very low61.4Low165 Ų165116.4 Ų116.472%0.71757%0.574SS**Hα-helixtrans-61.9-35.7173.2-74.3-173177.6-178.80113.4T2 F6 R7T2-K4 PolarHBondContact O-N 3.21Å; K4-F6 VanDerWaalsContact C-N 3.29Å; K4-F6 PolarHBondContact O-N 3.15Å; K4-R7 WeakPolarHBondContact O-CB 3.24Å; K4-R7 PolarHBondContact O-N 2.87Å; K4-R7 VanDerWaalsContact O-N 3.15Å
5S51.9Low62.9Low36 Ų36109.9 Ų109.925%0.25254%0.541SS..Hα-helixtrans-67-31.6180680000112.3T2 I3 R7 Y8T2-S5 PolarHBondContact O-N 3.44Å; T2-S5 PolarHBondContact O-OG 3.31Å; I3-S5 PolarHBondContact O-N 3.23Å; S5-R7 PolarHBondContact O-N 3.45Å; S5-Y8 PolarHBondContact O-N 3.32Å
6F52.5Low64.4Low106 Ų106111 Ų11147%0.46554%0.542SS..Hα-helixtrans-68.5-19.4175.7-83.2-82.6000113.2I3 K4 Y8 F9 Q10I3-F6 PolarHBondContact O-N 3.22Å; K4-F6 VanDerWaalsContact C-N 3.29Å; K4-F6 PolarHBondContact O-N 3.15Å; F6-Y8 PolarHBondContact O-N 2.92Å; F6-F9 PolarHBondContact O-N 3.17Å; F6-Q10 WeakPolarHBondContact O-CG 3.08Å; F6-Q10 PolarHBondContact O-N 3.38Å
7R60.7Low65.9Low174 Ų174107.8 Ų107.866%0.65753%0.533SS*.THydrogen-bonded Turntrans-63.5-27.2176.4-70.1-169.5172179.9-3.1113.4K4 S5 Q10K4-R7 WeakPolarHBondContact O-CB 3.24Å; K4-R7 PolarHBondContact O-N 2.87Å; K4-R7 VanDerWaalsContact O-N 3.15Å; S5-R7 PolarHBondContact O-N 3.45Å; R7-Q10 WeakPolarHBondContact O-CB 3.48Å; R7-Q10 PolarHBondContact O-N 3.07Å
8Y59.3Low67.2Low180 Ų180103.9 Ų103.971%0.70652%0.516SS*.G310 helixtrans-70.8-41.6177.2-72.7-80.1000112.1S5 F6 Q10 C11 L14S5-Y8 PolarHBondContact O-N 3.32Å; F6-Y8 PolarHBondContact O-N 2.92Å; Y8-Q10 PolarHBondContact O-N 2.83Å; Y8-Q10 VanDerWaalsContact O-N 3.11Å; Y8-C11 WeakPolarHBondContact O-CB 3.35Å; Y8-C11 PolarHBondContact O-N 3.32Å; Y8-L14 VanDerWaalsContact O-CD2 3.3Å; Y8-L14 WeakPolarHBondContact O-CD2 3.45Å
9F61.1Low68.3Low102 Ų102102.1 Ų102.145%0.44751%0.507SS..G310 helixtrans-66-9.2173.7-75.6-78.4000113.8F6 L14 Q15F6-F9 PolarHBondContact O-N 3.17Å; F9-L14 HydrophobicContact CD1-CD2 4.39Å; F9-Q15 WeakPolarHBondContact O-CG 3.49Å; F9-Q15 PolarHBondContact O-NE2 3.43Å
10Q65.3Low69.5Low98 Ų98100.2 Ų100.246%0.45850%0.499SS..G310 helixtrans-83.5-13.7173.9-64.3166.6-6.400112.9F6 R7 Y8 P12F6-Q10 WeakPolarHBondContact O-CG 3.08Å; F6-Q10 PolarHBondContact O-N 3.38Å; R7-Q10 WeakPolarHBondContact O-CB 3.48Å; R7-Q10 PolarHBondContact O-N 3.07Å; Y8-Q10 PolarHBondContact O-N 2.83Å; Y8-Q10 VanDerWaalsContact O-N 3.11Å; Q10-P12 WeakPolarHBondContact O-CD 3.42Å
11C78Confident70.5Confident56 Ų56100.8 Ų100.838%0.37850%0.503SS..  trans-67.1115.1178.3-175.40000109.4Y8 V13 L14 Q15Y8-C11 WeakPolarHBondContact O-CB 3.35Å; Y8-C11 PolarHBondContact O-N 3.32Å; C11-V13 PolarHBondContact O-N 3.3Å; C11-V13 VanDerWaalsContact O-N 3.15Å; C11-L14 HydrophobicContact CB-CB 3.95Å; C11-L14 WeakPolarHBondContact O-CA 3.46Å; C11-L14 WeakPolarHBondContact O-CB 3.45Å; C11-L14 PolarHBondContact O-N 3.42Å; C11-Q15 PolarHBondContact O-N 3.14Å
12P79.7Confident72.8Confident95 Ų9592.8 Ų92.862%0.61747%0.466SS*.Hα-helixtrans-58-31.8-179.3-25.135.6000112.5Q10 Q15 F16Q10-P12 WeakPolarHBondContact O-CD 3.42Å; P12-Q15 PolarHBondContact O-N 3.38Å; P12-F16 VanDerWaalsContact O-CB 3.28Å; P12-F16 WeakPolarHBondContact O-CB 3.35Å; P12-F16 PolarHBondContact O-N 2.95Å
13V84.9Confident75.4Confident99 Ų9991.4 Ų91.460%0.645%0.454SS*.Hα-helixtrans-62.2-44.8173.6-177.50000110.6C11 F16 C17C11-V13 PolarHBondContact O-N 3.3Å; C11-V13 VanDerWaalsContact O-N 3.15Å; V13-F16 PolarHBondContact O-N 2.9Å; V13-C17 WeakPolarHBondContact O-CB 3.36Å; V13-C17 PolarHBondContact O-N 2.97Å; V13-C17 PolarHBondContact O-SG 2.92Å
14L84.7Confident77.5Confident66 Ų6687.8 Ų87.835%0.34644%0.435SS..Hα-helixtrans-65.3-43.6177.8-176.163.8000111.6Y8 F9 C11 F16 C17 V18Y8-L14 VanDerWaalsContact O-CD2 3.3Å; Y8-L14 WeakPolarHBondContact O-CD2 3.45Å; F9-L14 HydrophobicContact CD1-CD2 4.39Å; C11-L14 HydrophobicContact CB-CB 3.95Å; C11-L14 WeakPolarHBondContact O-CA 3.46Å; C11-L14 WeakPolarHBondContact O-CB 3.45Å; C11-L14 PolarHBondContact O-N 3.42Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.4Å; L14-C17 PolarHBondContact O-N 3.18Å; L14-V18 WeakPolarHBondContact O-CG2 3.39Å; L14-V18 PolarHBondContact O-N 2.94Å
15Q84.2Confident79.5Confident19 Ų1985.1 Ų85.19%0.08942%0.422CS..Hα-helixtrans-59.5-46.3176.2-63-179.1-10.600111.1F9 C11 P12 V18 I19 F354F9-Q15 WeakPolarHBondContact O-CG 3.49Å; F9-Q15 PolarHBondContact O-NE2 3.43Å; C11-Q15 PolarHBondContact O-N 3.14Å; P12-Q15 PolarHBondContact O-N 3.38Å; Q15-V18 PolarHBondContact O-N 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.28Å; Q15-I19 PolarHBondContact O-N 3.05Å; Q15-F354 HydrophobicContact CB-CD1 4.06Å; Q15-F354 HydrophobicContact CB-CE1 3.83Å; Q15-F354 HydrophobicContact CB-CZ 4.23Å; Q15-F354 HydrophobicContact CG-CD1 3.78Å; Q15-F354 HydrophobicContact CG-CE1 3.67Å
16F86.8Confident81.3Confident127 Ų12783.5 Ų83.556%0.55741%0.41SS*.Hα-helixtrans-60-46.3175.5-179.6-101.8000111.7P12 V13 L14 V18 I19 I20P12-F16 VanDerWaalsContact O-CB 3.28Å; P12-F16 WeakPolarHBondContact O-CB 3.35Å; P12-F16 PolarHBondContact O-N 2.95Å; V13-F16 PolarHBondContact O-N 2.9Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.4Å; F16-V18 VanDerWaalsContact C-N 3.32Å; F16-V18 PolarHBondContact O-N 3.36Å; F16-I19 PolarHBondContact O-N 3.15Å; F16-I20 HydrophobicContact CD1-CG1 4.14Å; F16-I20 HydrophobicContact CD2-CG1 4.43Å; F16-I20 HydrophobicContact CE1-CD1 4.34Å; F16-I20 HydrophobicContact CE1-CG1 3.73Å; F16-I20 HydrophobicContact CE2-CD1 4.09Å; F16-I20 HydrophobicContact CE2-CG1 4.05Å; F16-I20 HydrophobicContact CG-CG1 4.47Å; F16-I20 HydrophobicContact CZ-CD1 3.81Å; F16-I20 HydrophobicContact CZ-CG1 3.69Å; F16-I20 WeakPolarHBondContact O-CG1 3.28Å; F16-I20 PolarHBondContact O-N 3.25Å
17C90.6Very high83.2Confident56 Ų5682.1 Ų82.138%0.37841%0.405SS..Hα-helixtrans-58.5-43.2175.4-70.40000112.1V13 L14 I20 I21V13-C17 WeakPolarHBondContact O-CB 3.36Å; V13-C17 PolarHBondContact O-N 2.97Å; V13-C17 PolarHBondContact O-SG 2.92Å; L14-C17 PolarHBondContact O-N 3.18Å; C17-I20 PolarHBondContact O-N 3.29Å; C17-I21 WeakPolarHBondContact O-CB 3.49Å; C17-I21 WeakPolarHBondContact O-CD1 3.43Å; C17-I21 WeakPolarHBondContact O-CG1 3.33Å; C17-I21 PolarHBondContact O-N 3.36Å
18V88.7Confident84.8Confident39 Ų3978.3 Ų78.324%0.23640%0.397CS..Hα-helixtrans-61.8-46.4176.7171.60000110.7L14 Q15 F16 I20 I21 C22 L350 F354L14-V18 WeakPolarHBondContact O-CG2 3.39Å; L14-V18 PolarHBondContact O-N 2.94Å; Q15-V18 PolarHBondContact O-N 3.3Å; F16-V18 VanDerWaalsContact C-N 3.32Å; F16-V18 PolarHBondContact O-N 3.36Å; V18-I20 PolarHBondContact O-N 2.85Å; V18-I21 PolarHBondContact O-N 2.95Å; V18-C22 WeakPolarHBondContact O-CB 3.34Å; V18-C22 PolarHBondContact O-N 3.35Å; V18-C22 PolarHBondContact O-SG 2.91Å; V18-L350 HydrophobicContact CG1-CD2 4.21Å; V18-F354 HydrophobicContact CB-CZ 4.1Å; V18-F354 HydrophobicContact CG1-CE2 4.5Å; V18-F354 HydrophobicContact CG1-CZ 3.89Å
19I88.5Confident86.4Confident68 Ų6873.2 Ų73.235%0.34938%0.381SS..Hα-helixtrans-58.4-48.8176.8-67.3167.2000110.6Q15 F16 I21 C22 L23 F354Q15-I19 WeakPolarHBondContact O-CG1 3.28Å; Q15-I19 PolarHBondContact O-N 3.05Å; F16-I19 PolarHBondContact O-N 3.15Å; I19-I21 PolarHBondContact O-N 3Å; I19-C22 PolarHBondContact O-N 3.21Å; I19-L23 HydrophobicContact CG2-CD1 3.88Å; I19-L23 HydrophobicContact CG2-CG 4.29Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.37Å; I19-F354 HydrophobicContact CD1-CD2 3.86Å; I19-F354 HydrophobicContact CD1-CE2 3.85Å; I19-F354 HydrophobicContact CG1-CD2 3.93Å; I19-F354 HydrophobicContact CG1-CE2 3.43Å; I19-F354 VanDerWaalsContact CG1-CE2 3.43Å; I19-F354 HydrophobicContact CG1-CZ 4.34Å
20I91.5Very high87.8Confident65 Ų6570.8 Ų70.833%0.33337%0.371SS..Hα-helixtrans-61-43.9179.7-67.7-62.6000111.4F16 C17 V18 C22 L23 I24F16-I20 HydrophobicContact CD1-CG1 4.14Å; F16-I20 HydrophobicContact CD2-CG1 4.43Å; F16-I20 HydrophobicContact CE1-CD1 4.34Å; F16-I20 HydrophobicContact CE1-CG1 3.73Å; F16-I20 HydrophobicContact CE2-CD1 4.09Å; F16-I20 HydrophobicContact CE2-CG1 4.05Å; F16-I20 HydrophobicContact CG-CG1 4.47Å; F16-I20 HydrophobicContact CZ-CD1 3.81Å; F16-I20 HydrophobicContact CZ-CG1 3.69Å; F16-I20 WeakPolarHBondContact O-CG1 3.28Å; F16-I20 PolarHBondContact O-N 3.25Å; C17-I20 PolarHBondContact O-N 3.29Å; V18-I20 PolarHBondContact O-N 2.85Å; I20-C22 VanDerWaalsContact C-N 3.33Å; I20-C22 PolarHBondContact O-N 2.76Å; I20-L23 PolarHBondContact O-N 3.32Å; I20-I24 HydrophobicContact CG2-CD1 3.71Å; I20-I24 HydrophobicContact CG2-CG1 4.37Å; I20-I24 WeakPolarHBondContact O-CB 3.3Å; I20-I24 VanDerWaalsContact O-CG1 3.27Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 3.15Å
21I91.7Very high89.2Confident113 Ų11366.5 Ų66.558%0.57935%0.352SS*.Hα-helixtrans-61.2-43.6176.7-70.5164.8000110.6C17 V18 I19 I24 Y25C17-I21 WeakPolarHBondContact O-CB 3.49Å; C17-I21 WeakPolarHBondContact O-CD1 3.43Å; C17-I21 WeakPolarHBondContact O-CG1 3.33Å; C17-I21 PolarHBondContact O-N 3.36Å; V18-I21 PolarHBondContact O-N 2.95Å; I19-I21 PolarHBondContact O-N 3Å; I21-I24 PolarHBondContact O-N 2.73Å; I21-Y25 WeakPolarHBondContact O-CB 3.38Å; I21-Y25 PolarHBondContact O-N 3.38Å
22C90.9Very high90Very high30 Ų3069.2 Ų69.220%0.20336%0.355CS..Hα-helixtrans-66.7-37.8178.5-69.90000112.8V18 I19 I20 Y25 G26 Y347 L350V18-C22 WeakPolarHBondContact O-CB 3.34Å; V18-C22 PolarHBondContact O-N 3.35Å; V18-C22 PolarHBondContact O-SG 2.91Å; I19-C22 PolarHBondContact O-N 3.21Å; I20-C22 VanDerWaalsContact C-N 3.33Å; I20-C22 PolarHBondContact O-N 2.76Å; C22-Y25 PolarHBondContact O-N 3.42Å; C22-G26 PolarHBondContact O-N 3.25Å; C22-Y347 HydrophobicContact CB-CE1 4.33Å; C22-Y347 PolarHBondContact O-OH 2.83Å; C22-L350 HydrophobicContact CB-CD1 3.74Å; C22-L350 WeakPolarHBondContact SG-CD1 3.36Å
23L92.3Very high90.7Very high74 Ų7468.9 Ų68.939%0.38735%0.347SS..Hα-helixtrans-66.2-47.6173.9-70.7174.4000111.2I19 I20 Y25 G26 E27 Y347I19-L23 HydrophobicContact CG2-CD1 3.88Å; I19-L23 HydrophobicContact CG2-CG 4.29Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.37Å; I20-L23 PolarHBondContact O-N 3.32Å; L23-Y25 VanDerWaalsContact C-N 3.25Å; L23-Y25 PolarHBondContact O-N 2.89Å; L23-G26 PolarHBondContact O-N 3.39Å; L23-E27 VanDerWaalsContact O-CB 3.27Å; L23-E27 WeakPolarHBondContact O-CB 3.33Å; L23-E27 WeakPolarHBondContact O-CG 3.19Å; L23-E27 PolarHBondContact O-N 3.47Å; L23-Y347 HydrophobicContact CD2-CE1 4.41Å; L23-Y347 HydrophobicContact CD2-CE2 4.4Å
24I93.9Very high91Very high75 Ų7565.1 Ų65.139%0.38533%0.325SS..Hα-helixtrans-58.1-42.6175.4-69.2168.2000110.3I20 I21 I28 I29I20-I24 HydrophobicContact CG2-CD1 3.71Å; I20-I24 HydrophobicContact CG2-CG1 4.37Å; I20-I24 WeakPolarHBondContact O-CB 3.3Å; I20-I24 VanDerWaalsContact O-CG1 3.27Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 3.15Å; I21-I24 PolarHBondContact O-N 2.73Å; I24-I28 WeakPolarHBondContact O-CA 3.2Å; I24-I28 WeakPolarHBondContact O-CB 3.11Å; I24-I28 PolarHBondContact O-N 2.92Å; I24-I28 VanDerWaalsContact O-N 3.12Å; I24-I29 HydrophobicContact CG2-CD1 3.85Å; I24-I29 HydrophobicContact CG2-CG1 4.1Å; I24-I29 PolarHBondContact O-N 3.31Å
25Y91.7Very high91.5Very high110 Ų11063.3 Ų63.343%0.43132%0.316SS..Iπ-helixtrans-65.1-53.8179-176.8-96.7000112.2I21 C22 L23 I29 H30I21-Y25 WeakPolarHBondContact O-CB 3.38Å; I21-Y25 PolarHBondContact O-N 3.38Å; C22-Y25 PolarHBondContact O-N 3.42Å; L23-Y25 VanDerWaalsContact C-N 3.25Å; L23-Y25 PolarHBondContact O-N 2.89Å; Y25-I29 HydrophobicContact CD2-CB 4.22Å; Y25-I29 HydrophobicContact CD2-CG2 4.14Å; Y25-I29 HydrophobicContact CE2-CG2 4.3Å; Y25-I29 PolarHBondContact O-N 2.91Å; Y25-H30 HydrophobicContact CD1-CB 4.45Å; Y25-H30 HydrophobicContact CE1-CB 4.12Å; Y25-H30 VanDerWaalsContact O-CB 3.28Å; Y25-H30 WeakPolarHBondContact O-CB 3.38Å; Y25-H30 PolarHBondContact O-N 3.25Å
26G90.6Very high92Very high1 Ų168.9 Ų68.91%0.0135%0.346CS..Iπ-helixtrans-76.6-30.3-172.800000114.7C22 L23 P31 Y347C22-G26 PolarHBondContact O-N 3.25Å; L23-G26 PolarHBondContact O-N 3.39Å; G26-P31 VanDerWaalsContact O-CD 3.25Å; G26-P31 WeakPolarHBondContact O-CD 3.5Å; G26-P31 WeakPolarHBondContact O-CG 3.21Å; G26-Y347 VanDerWaalsContact CA-OH 3.3Å; G26-Y347 WeakPolarHBondContact CA-OH 3.28Å
27E92.8Very high92.3Very high77 Ų7765 Ų6536%0.3634%0.337SS..Iπ-helixtrans-96.6-22.2-177.7-57.1-52.8159.600114.1L23 R340 Y347L23-E27 VanDerWaalsContact O-CB 3.27Å; L23-E27 WeakPolarHBondContact O-CB 3.33Å; L23-E27 WeakPolarHBondContact O-CG 3.19Å; L23-E27 PolarHBondContact O-N 3.47Å; E27-R340 IonicContact OE1-CZ 3.87Å; E27-R340 IonicContact OE1-NH1 3.15Å; E27-R340 IonicContact OE1-NH2 3.39Å; E27-R340 PolarHBondContact OE1-NH2 2.9Å; E27-R340 IonicContact OE2-CZ 2.7Å; E27-R340 VanDerWaalsContact OE2-CZ 3.32Å; E27-R340 IonicContact OE2-NH1 3.39Å; E27-R340 PolarHBondContact OE2-NH1 3.03Å; E27-R340 IonicContact OE2-NH2 2.77Å; E27-R340 PolarHBondContact OE2-NH2 3.44Å; E27-Y347 VanDerWaalsContact OE1-CE2 3.27Å; E27-Y347 WeakPolarHBondContact OE1-CE2 3.39Å; E27-Y347 PolarHBondContact OE1-OH 3.45Å
28I93.2Very high92.6Very high95 Ų9563.2 Ų63.249%0.48732%0.322SS..Iπ-helixtrans-121.9-62.3-176.2-52.5176.7000110.6I24 Y32I24-I28 WeakPolarHBondContact O-CA 3.2Å; I24-I28 WeakPolarHBondContact O-CB 3.11Å; I24-I28 PolarHBondContact O-N 2.92Å; I24-I28 VanDerWaalsContact O-N 3.12Å; I28-Y32 WeakPolarHBondContact O-CB 3.25Å; I28-Y32 WeakPolarHBondContact O-CD2 3.18Å; I28-Y32 PolarHBondContact O-N 2.71Å
29I93.5Very high93Very high73 Ų7368.1 Ų68.137%0.37434%0.337SS..Iπ-helixtrans-65.2-51.4-169.4-62.7175000110.9I24 Y25 Y32 I33I24-I29 HydrophobicContact CG2-CD1 3.85Å; I24-I29 HydrophobicContact CG2-CG1 4.1Å; I24-I29 PolarHBondContact O-N 3.31Å; Y25-I29 HydrophobicContact CD2-CB 4.22Å; Y25-I29 HydrophobicContact CD2-CG2 4.14Å; Y25-I29 HydrophobicContact CE2-CG2 4.3Å; Y25-I29 PolarHBondContact O-N 2.91Å; I29-Y32 PolarHBondContact O-N 3.35Å; I29-I33 HydrophobicContact CG2-CD1 3.44Å; I29-I33 VanDerWaalsContact CG2-CD1 3.44Å; I29-I33 HydrophobicContact CG2-CG1 4.14Å; I29-I33 WeakPolarHBondContact O-CB 3.28Å; I29-I33 VanDerWaalsContact O-CG1 3.28Å; I29-I33 WeakPolarHBondContact O-CG1 3.48Å; I29-I33 PolarHBondContact O-N 3.04Å
30H90.7Very high93.3Very high50 Ų5068.8 Ų68.823%0.23134%0.34CS..Hα-helixtrans-67.6-45.4-173.1-169.6-125.6000113.4Y25 Y32 I33 S34 Y338Y25-H30 HydrophobicContact CD1-CB 4.45Å; Y25-H30 HydrophobicContact CE1-CB 4.12Å; Y25-H30 VanDerWaalsContact O-CB 3.28Å; Y25-H30 WeakPolarHBondContact O-CB 3.38Å; Y25-H30 PolarHBondContact O-N 3.25Å; H30-Y32 VanDerWaalsContact C-N 3.26Å; H30-Y32 PolarHBondContact O-N 2.79Å; H30-I33 PolarHBondContact O-N 3.4Å; H30-S34 PolarHBondContact O-N 3.42Å; H30-Y338 AromaticContact CE1-CD2 3.05Å; H30-Y338 WeakPolarHBondContact CE1-CD2 3.01Å; H30-Y338 AromaticContact CE1-CE2 3.28Å; H30-Y338 WeakPolarHBondContact CE1-CE2 3.39Å; H30-Y338 AromaticContact CE1-CG 3.92Å; H30-Y338 AromaticContact ND1-CD2 3.19Å; H30-Y338 WeakPolarHBondContact ND1-CD2 3.17Å; H30-Y338 AromaticContact ND1-CE2 3.06Å; H30-Y338 WeakPolarHBondContact ND1-CE2 3.41Å; H30-Y338 AromaticContact ND1-CG 3.86Å; H30-Y338 AromaticContact ND1-CZ 3.69Å
31P93.6Very high93.5Very high8 Ų866.8 Ų66.85%0.05233%0.332CS..Hα-helixtrans-61.6-30.6173.9-25.136.3000113.8G26 S34 L35 F84 Y338G26-P31 VanDerWaalsContact O-CD 3.25Å; G26-P31 WeakPolarHBondContact O-CD 3.5Å; G26-P31 WeakPolarHBondContact O-CG 3.21Å; P31-S34 PolarHBondContact O-OG 2.68Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-F84 HydrophobicContact CB-CD1 4.36Å; P31-F84 HydrophobicContact CB-CE1 3.79Å; P31-F84 HydrophobicContact CB-CZ 4.02Å; P31-Y338 HydrophobicContact CG-CE1 4.38Å
32Y95.8Very high93.4Very high114 Ų11468 Ų6845%0.44734%0.339SS..Hα-helixtrans-80-35.9175.8-86.2-98000112.5I28 I29 H30 S34 L35 F84 K88I28-Y32 WeakPolarHBondContact O-CB 3.25Å; I28-Y32 WeakPolarHBondContact O-CD2 3.18Å; I28-Y32 PolarHBondContact O-N 2.71Å; I29-Y32 PolarHBondContact O-N 3.35Å; H30-Y32 VanDerWaalsContact C-N 3.26Å; H30-Y32 PolarHBondContact O-N 2.79Å; Y32-S34 VanDerWaalsContact C-N 3.3Å; Y32-S34 PolarHBondContact O-N 2.82Å; Y32-L35 HydrophobicContact CD1-CD1 4.35Å; Y32-L35 WeakPolarHBondContact O-CB 3.47Å; Y32-L35 PolarHBondContact O-N 3.31Å; Y32-F84 HydrophobicContact CD2-CE2 4.02Å; Y32-F84 AromaticContact CD2-CZ 3.85Å; Y32-F84 HydrophobicContact CD2-CZ 3.85Å; Y32-F84 AromaticContact CE2-CE2 3.51Å; Y32-F84 HydrophobicContact CE2-CE2 3.51Å; Y32-F84 AromaticContact CE2-CZ 3.83Å; Y32-F84 HydrophobicContact CE2-CZ 3.83Å; Y32-F84 HydrophobicContact CG-CZ 4.33Å; Y32-F84 AromaticContact CZ-CE2 3.84Å; Y32-K88 PolarHBondContact OH-NZ 3.4Å
33I93.6Very high93.1Very high88 Ų8872.3 Ų72.345%0.45136%0.36SS..Hα-helixtrans-63-38.3173.8-73.1175.7000110.9I29 H30 L35 N36I29-I33 HydrophobicContact CG2-CD1 3.44Å; I29-I33 VanDerWaalsContact CG2-CD1 3.44Å; I29-I33 HydrophobicContact CG2-CG1 4.14Å; I29-I33 WeakPolarHBondContact O-CB 3.28Å; I29-I33 VanDerWaalsContact O-CG1 3.28Å; I29-I33 WeakPolarHBondContact O-CG1 3.48Å; I29-I33 PolarHBondContact O-N 3.04Å; H30-I33 PolarHBondContact O-N 3.4Å; I33-L35 PolarHBondContact O-N 3.4Å; I33-N36 VanDerWaalsContact O-CB 3.27Å; I33-N36 WeakPolarHBondContact O-CB 3.37Å; I33-N36 PolarHBondContact O-N 2.95Å; I33-N36 PolarHBondContact O-ND2 2.75Å
34S91.5Very high92.7Very high19 Ų1977.1 Ų77.113%0.13338%0.378CS..Hα-helixtrans-60.6-30.918072.10000112.4H30 P31 Y32 N36 A37 Y85H30-S34 PolarHBondContact O-N 3.42Å; P31-S34 PolarHBondContact O-OG 2.68Å; Y32-S34 VanDerWaalsContact C-N 3.3Å; Y32-S34 PolarHBondContact O-N 2.82Å; S34-N36 PolarHBondContact O-N 3.31Å; S34-A37 WeakPolarHBondContact O-CB 3.3Å; S34-A37 PolarHBondContact O-N 2.71Å; S34-A37 VanDerWaalsContact O-N 3.1Å; S34-Y85 PolarHBondContact OG-OH 3.27Å
35L95.8Very high92.4Very high29 Ų2975.7 Ų75.715%0.15237%0.374CS..G310 helixtrans-62.5-23.5176.1-55.9178000112.7P31 Y32 I33 A37 W38 F84 Y85 K88P31-L35 WeakPolarHBondContact O-CG 3.47Å; Y32-L35 HydrophobicContact CD1-CD1 4.35Å; Y32-L35 WeakPolarHBondContact O-CB 3.47Å; Y32-L35 PolarHBondContact O-N 3.31Å; I33-L35 PolarHBondContact O-N 3.4Å; L35-A37 PolarHBondContact O-N 3.3Å; L35-W38 HydrophobicContact CD2-CD2 4.02Å; L35-W38 HydrophobicContact CD2-CE3 4.03Å; L35-W38 HydrophobicContact CD2-CH2 3.62Å; L35-W38 HydrophobicContact CD2-CZ2 3.57Å; L35-W38 HydrophobicContact CD2-CZ3 3.83Å; L35-W38 WeakPolarHBondContact O-CB 3.42Å; L35-W38 PolarHBondContact O-N 3.29Å; L35-F84 HydrophobicContact CD1-CE1 4.31Å; L35-F84 HydrophobicContact CD1-CZ 4.02Å; L35-F84 HydrophobicContact CD2-CE1 4.25Å; L35-F84 HydrophobicContact CG-CE1 4.46Å; L35-Y85 HydrophobicContact CD2-CD1 3.83Å; L35-Y85 HydrophobicContact CD2-CE1 3.72Å; L35-K88 HydrophobicContact CD1-CB 4.31Å; L35-K88 HydrophobicContact CD1-CD 4.01Å; L35-K88 HydrophobicContact CD1-CG 3.89Å; L35-K88 HydrophobicContact CD2-CB 4.14Å; L35-K88 HydrophobicContact CD2-CG 4.38Å
36N94.8Very high92.3Very high135 Ų13572.7 Ų72.772%0.72237%0.369SS*.G310 helixtrans-66.7-17.5177.2-63.6-26.9000112.8I33 S34 W38I33-N36 VanDerWaalsContact O-CB 3.27Å; I33-N36 WeakPolarHBondContact O-CB 3.37Å; I33-N36 PolarHBondContact O-N 2.95Å; I33-N36 PolarHBondContact O-ND2 2.75Å; S34-N36 PolarHBondContact O-N 3.31Å; N36-W38 PolarHBondContact O-N 3.38Å
37A92.8Very high92.3Very high45 Ų4581.5 Ų81.537%0.37241%0.41SS..G310 helixtrans-75.1-13.4173.800000112.7S34 L35 S267 P336S34-A37 WeakPolarHBondContact O-CB 3.3Å; S34-A37 PolarHBondContact O-N 2.71Å; S34-A37 VanDerWaalsContact O-N 3.1Å; L35-A37 PolarHBondContact O-N 3.3Å; A37-S267 WeakPolarHBondContact O-CB 3.27Å; A37-S267 PolarHBondContact O-OG 2.79Å; A37-P336 HydrophobicContact CB-CG 3.86Å
38W96.9Very high92.3Very high20 Ų2080.5 Ų80.58%0.07641%0.407CS..  trans-73.9132.7-177-67.56.2000111.7L35 N36 L40 Y85 K88 A89 L335 P336 L337L35-W38 HydrophobicContact CD2-CD2 4.02Å; L35-W38 HydrophobicContact CD2-CE3 4.03Å; L35-W38 HydrophobicContact CD2-CH2 3.62Å; L35-W38 HydrophobicContact CD2-CZ2 3.57Å; L35-W38 HydrophobicContact CD2-CZ3 3.83Å; L35-W38 WeakPolarHBondContact O-CB 3.42Å; L35-W38 PolarHBondContact O-N 3.29Å; N36-W38 PolarHBondContact O-N 3.38Å; W38-L40 HydrophobicContact CB-CD2 4.22Å; W38-L40 HydrophobicContact CB-CG 4.21Å; W38-L40 HydrophobicContact CE3-CD2 4.02Å; W38-Y85 HydrophobicContact CH2-CD1 4.2Å; W38-Y85 AromaticContact CZ2-CD1 3.67Å; W38-Y85 HydrophobicContact CZ2-CD1 3.67Å; W38-Y85 HydrophobicContact CZ2-CE1 4.35Å; W38-K88 HydrophobicContact CH2-CB 3.79Å; W38-K88 HydrophobicContact CZ3-CB 3.79Å; W38-A89 HydrophobicContact CH2-CB 3.96Å; W38-A89 HydrophobicContact CZ3-CB 4.22Å; W38-L335 HydrophobicContact CB-CD2 4.1Å; W38-L335 HydrophobicContact CD2-CB 4.03Å; W38-L335 HydrophobicContact CD2-CD1 4.41Å; W38-L335 HydrophobicContact CD2-CD2 4.38Å; W38-L335 HydrophobicContact CE3-CD1 4.3Å; W38-L335 HydrophobicContact CG-CB 4.16Å; W38-L335 HydrophobicContact CG-CD2 4.14Å; W38-L335 HydrophobicContact CZ2-CB 4.15Å; W38-L335 HydrophobicContact CZ3-CD1 4.38Å; W38-P336 PolarHBondContact NE1-O 2.85Å; W38-L337 HydrophobicContact CZ2-CD2 3.96Å
39R96.1Very high92.5Very high141 Ų14176.1 Ų76.153%0.53239%0.385SS..  trans-98.692.9170.2-61.6-58.1-176.9153.3-2.8108S267 P269 T333R39-S267 WeakPolarHBondContact CB-O 3.4Å; R39-S267 WeakPolarHBondContact CG-O 3.4Å; R39-P269 HydrophobicContact CB-CG 4.34Å; R39-T333 HydrophobicContact CB-CG2 4.2Å
40L95.7Very high92.6Very high82 Ų8272.7 Ų72.743%0.42937%0.367SS..  trans-84.5146.8-177.9-63.1178000111.1W38 T93 L335W38-L40 HydrophobicContact CB-CD2 4.22Å; W38-L40 HydrophobicContact CB-CG 4.21Å; W38-L40 HydrophobicContact CE3-CD2 4.02Å; L40-T93 HydrophobicContact CD2-CG2 3.89Å; L40-L335 HydrophobicContact CD2-CD2 4.19Å
41P94.7Very high93Very high24 Ų2470.5 Ų70.516%0.15636%0.356CS..  trans-73.3174.6173.434.8-37.4000111L321P41-L321 HydrophobicContact CG-CD2 3.98Å
42D91Very high93.2Very high137 Ų13770.1 Ų70.173%0.73335%0.354SS*.  trans-57.8148172.1-71.7-35.5000111.6K44 R51D42-K44 VanDerWaalsContact C-N 3.25Å; D42-K44 PolarHBondContact O-N 3.31Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-R51 PolarHBondContact O-NH1 2.93Å; D42-R51 PolarHBondContact O-NH2 3.07Å
43N84.2Confident93.3Very high121 Ų12164.7 Ų64.765%0.64733%0.333SS*.SBendtrans-55.5-36.5-169.6-167.112.1000113.3N94N43-N94 PolarHBondContact O-ND2 3.31Å; N43-N94 PolarHBondContact OD1-ND2 3.45Å
44K84.8Confident93.5Very high176 Ų17660.5 Ų60.577%0.76531%0.311SS*.SBendtrans-108.4130.7178.1-69-175.1178.3-178.80111.2D42 R51D42-K44 VanDerWaalsContact C-N 3.25Å; D42-K44 PolarHBondContact O-N 3.31Å; D42-K44 VanDerWaalsContact O-N 3.08Å; K44-R51 PolarHBondContact O-NH2 3.11Å; K44-R51 VanDerWaalsContact O-NH2 3.16Å
45P86.7Confident93.9Very high44 Ų4459.7 Ų59.729%0.28631%0.305SS..  trans-62138.7167.226.2-31.3000109.8E49 R51P45-E49 VanDerWaalsContact CA-OE2 3.29Å; P45-E49 WeakPolarHBondContact CA-OE2 3.3Å; P45-E49 HydrophobicContact CB-CB 4.42Å; P45-R51 VanDerWaalsContact CA-NH2 3.35Å; P45-R51 HydrophobicContact CB-CG 4.31Å
46S90.4Very high94Very high47 Ų4758.3 Ų58.333%0.32930%0.298SS..  trans-67.1161.5170.261.60000110.4D48 E49S46-D48 WeakPolarHBondContact CB-OD1 3.33Å; S46-D48 PolarHBondContact O-N 3.15Å; S46-D48 PolarHBondContact OG-OD1 2.91Å; S46-E49 PolarHBondContact N-OE2 2.91Å; S46-E49 PolarHBondContact O-N 3.37Å; S46-E49 VanDerWaalsContact OG-CB 3.24Å; S46-E49 WeakPolarHBondContact OG-CB 3.19Å
47E89.2Confident94.1Very high186 Ų18651.9 Ų51.987%0.86926%0.264SS*.THydrogen-bonded Turntrans-61.4-33.3-177.3-66.4-169.7164.600112.3E49 K173E47-E49 VanDerWaalsContact C-N 3.32Å; E47-K173 PolarHBondContact O-NZ 3.43Å
48D93.4Very high94.3Very high57 Ų5749.8 Ų49.831%0.30525%0.247SC..THydrogen-bonded Turntrans-86.13.1177.871.2-40.1000113.8S46 F174 Y325 Q326S46-D48 WeakPolarHBondContact CB-OD1 3.33Å; S46-D48 PolarHBondContact O-N 3.15Å; S46-D48 PolarHBondContact OG-OD1 2.91Å; D48-F174 VanDerWaalsContact O-CE1 3.25Å; D48-F174 WeakPolarHBondContact O-CE1 3.14Å; D48-F174 WeakPolarHBondContact O-CZ 3.39Å; D48-Y325 CarbonylContact O-C 3.52Å; D48-Y325 VanDerWaalsContact O-CA 3.31Å; D48-Y325 WeakPolarHBondContact O-CA 3.31Å; D48-Q326 HydrophobicContact CB-CB 3.97Å; D48-Q326 PolarHBondContact O-N 3.24Å
49E96.3Very high94.2Very high3 Ų349.3 Ų49.31%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-102.2144.3178.4-173.5-177.7-173.300111.6P45 S46 E47 R51 K173 Q323 L324 Y325P45-E49 VanDerWaalsContact CA-OE2 3.29Å; P45-E49 WeakPolarHBondContact CA-OE2 3.3Å; P45-E49 HydrophobicContact CB-CB 4.42Å; S46-E49 PolarHBondContact N-OE2 2.91Å; S46-E49 PolarHBondContact O-N 3.37Å; S46-E49 VanDerWaalsContact OG-CB 3.24Å; S46-E49 WeakPolarHBondContact OG-CB 3.19Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E49-R51 HydrophobicContact CG-CG 3.97Å; E49-R51 VanDerWaalsContact OE1-CG 3.29Å; E49-R51 WeakPolarHBondContact OE1-CG 3.48Å; E49-R51 IonicContact OE1-CZ 3.53Å; E49-R51 IonicContact OE1-NE 2.73Å; E49-R51 PolarHBondContact OE1-NE 3.49Å; E49-R51 IonicContact OE1-NH2 3.51Å; E49-R51 IonicContact OE2-CZ 3.32Å; E49-R51 IonicContact OE2-NE 2.69Å; E49-R51 PolarHBondContact OE2-NE 2.91Å; E49-R51 VanDerWaalsContact OE2-NE 3.14Å; E49-R51 IonicContact OE2-NH2 3.45Å; E49-R51 PolarHBondContact OE2-NH2 3.3Å; E49-K173 PolarHBondContact O-NZ 3.42Å; E49-Q323 WeakPolarHBondContact OE1-CB 3.23Å; E49-Q323 WeakPolarHBondContact OE1-CG 3.46Å; E49-Q323 PolarHBondContact OE1-NE2 3.18Å; E49-L324 CarbonylContact C-O 3.48Å; E49-L324 WeakPolarHBondContact CA-O 3.2Å; E49-Y325 HydrophobicContact CB-CD1 4.03Å; E49-Y325 HydrophobicContact CB-CE1 3.8Å; E49-Y325 HydrophobicContact CG-CD1 4.3Å; E49-Y325 HydrophobicContact CG-CE1 3.83Å; E49-Y325 PolarHBondContact OE1-OH 3.25Å
50V97.3Very high94.3Very high0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-124.7120.5165.8178.10000108.1I52 N96 Y172 K173 F174 V175 L324V50-I52 HydrophobicContact CG1-CD1 3.92Å; V50-I52 HydrophobicContact CG1-CG1 3.79Å; V50-N96 WeakPolarHBondContact CA-OD1 3.46Å; V50-Y172 HydrophobicContact CG1-CD1 3.76Å; V50-Y172 HydrophobicContact CG1-CE1 3.98Å; V50-Y172 HydrophobicContact CG2-CD1 3.97Å; V50-Y172 HydrophobicContact CG2-CE1 4.06Å; V50-K173 HydrophobicContact CG2-CB 4.22Å; V50-K173 HydrophobicContact CG2-CD 3.83Å; V50-K173 HydrophobicContact CG2-CG 4.34Å; V50-F174 HydrophobicContact CB-CZ 4.46Å; V50-F174 HydrophobicContact CG2-CE1 3.86Å; V50-F174 HydrophobicContact CG2-CZ 3.82Å; V50-V175 HydrophobicContact CB-CG2 4.39Å; V50-V175 HydrophobicContact CG2-CG2 4.21Å; V50-L324 HydrophobicContact CB-CB 4.4Å; V50-L324 PolarHBondContact N-O 2.86Å; V50-L324 PolarHBondContact O-N 3.23Å
51R97.6Very high94.1Very high4 Ų439.2 Ų39.22%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-104.6130.1178.1-63.4-174-176.4165.93.5110.9D42 K44 P45 E49 T93 N96 G97 L322 Q323D42-R51 PolarHBondContact O-NH1 2.93Å; D42-R51 PolarHBondContact O-NH2 3.07Å; K44-R51 PolarHBondContact O-NH2 3.11Å; K44-R51 VanDerWaalsContact O-NH2 3.16Å; P45-R51 VanDerWaalsContact CA-NH2 3.35Å; P45-R51 HydrophobicContact CB-CG 4.31Å; E49-R51 HydrophobicContact CG-CG 3.97Å; E49-R51 VanDerWaalsContact OE1-CG 3.29Å; E49-R51 WeakPolarHBondContact OE1-CG 3.48Å; E49-R51 IonicContact OE1-CZ 3.53Å; E49-R51 IonicContact OE1-NE 2.73Å; E49-R51 PolarHBondContact OE1-NE 3.49Å; E49-R51 IonicContact OE1-NH2 3.51Å; E49-R51 IonicContact OE2-CZ 3.32Å; E49-R51 IonicContact OE2-NE 2.69Å; E49-R51 PolarHBondContact OE2-NE 2.91Å; E49-R51 VanDerWaalsContact OE2-NE 3.14Å; E49-R51 IonicContact OE2-NH2 3.45Å; E49-R51 PolarHBondContact OE2-NH2 3.3Å; R51-T93 WeakPolarHBondContact CD-O 3.13Å; R51-T93 PolarHBondContact NH1-O 2.88Å; R51-N96 PolarHBondContact N-OD1 3.04Å; R51-N96 PolarHBondContact O-N 3.23Å; R51-G97 PolarHBondContact O-N 3.26Å; R51-L322 CarbonylContact C-O 3.5Å; R51-L322 WeakPolarHBondContact CA-O 3.47Å; R51-Q323 HydrophobicContact CG-CG 4.27Å
52I98.1Very high93.8Very high0 Ų038.4 Ų38.40%020%0.197CC..EExtended strand (participates in β ladder)trans-135.9126.3-172.7-50178.3000109.2V50 L54 G97 L99 F134 F177 L322 L324V50-I52 HydrophobicContact CG1-CD1 3.92Å; V50-I52 HydrophobicContact CG1-CG1 3.79Å; I52-L54 HydrophobicContact CG2-CD2 4.02Å; I52-G97 WeakPolarHBondContact CA-O 3.48Å; I52-L99 HydrophobicContact CG2-CD1 4.09Å; I52-L99 HydrophobicContact CG2-CD2 4.37Å; I52-L99 HydrophobicContact CG2-CG 3.63Å; I52-F134 HydrophobicContact CD1-CZ 4.27Å; I52-F134 HydrophobicContact CG1-CZ 4.26Å; I52-F177 HydrophobicContact CD1-CE1 3.72Å; I52-F177 HydrophobicContact CD1-CZ 3.35Å; I52-L322 HydrophobicContact CB-CB 4.42Å; I52-L322 PolarHBondContact N-O 3.41Å; I52-L322 PolarHBondContact O-N 2.98Å; I52-L324 HydrophobicContact CD1-CD1 3.98Å
53L98.5Very high93.6Very high0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-80.6136.4168.1-64.4178.3000109.8F86 A89 V90 T93 G97 V98 L99 I319 G320 L321L53-F86 HydrophobicContact CD1-CE2 4.32Å; L53-A89 HydrophobicContact CD1-CB 3.93Å; L53-A89 HydrophobicContact CD2-CB 4.15Å; L53-V90 HydrophobicContact CD1-CB 4.43Å; L53-V90 HydrophobicContact CD1-CG2 3.62Å; L53-T93 HydrophobicContact CD2-CG2 4.18Å; L53-G97 PolarHBondContact N-O 3.15Å; L53-V98 HydrophobicContact CB-CB 4.34Å; L53-V98 HydrophobicContact CB-CG2 4.15Å; L53-V98 CarbonylContact O-C 3.57Å; L53-V98 VanDerWaalsContact O-CA 3.28Å; L53-V98 WeakPolarHBondContact O-CA 3.2Å; L53-L99 PolarHBondContact O-N 3.06Å; L53-I319 HydrophobicContact CB-CG2 4.4Å; L53-I319 HydrophobicContact CD2-CG2 3.97Å; L53-G320 CarbonylContact C-O 3.54Å; L53-G320 WeakPolarHBondContact CA-O 3.22Å; L53-L321 HydrophobicContact CD2-CD1 4.18Å
54L98.7Very high93.6Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-112.5117177.5-49.9-179.2000107.9I52 L99 L101 I229 V304 G320 L322 Y332I52-L54 HydrophobicContact CG2-CD2 4.02Å; L54-L99 HydrophobicContact CD2-CB 3.91Å; L54-L99 HydrophobicContact CD2-CD1 3.65Å; L54-L99 HydrophobicContact CD2-CG 3.96Å; L54-L101 HydrophobicContact CB-CD1 4.19Å; L54-I229 HydrophobicContact CD1-CD1 4.34Å; L54-I229 HydrophobicContact CD1-CG2 3.8Å; L54-I229 HydrophobicContact CD2-CD1 4.17Å; L54-I229 HydrophobicContact CD2-CG2 4.28Å; L54-V304 HydrophobicContact CB-CG1 3.98Å; L54-V304 HydrophobicContact CB-CG2 3.94Å; L54-V304 HydrophobicContact CD1-CG2 3.77Å; L54-G320 PolarHBondContact N-O 2.91Å; L54-G320 PolarHBondContact O-N 2.86Å; L54-L322 HydrophobicContact CD1-CB 4.05Å; L54-L322 HydrophobicContact CD2-CB 4.45Å; L54-L322 HydrophobicContact CG-CB 4.26Å; L54-Y332 HydrophobicContact CD1-CD2 4.27Å; L54-Y332 HydrophobicContact CD1-CE2 3.92Å
55I98.3Very high93.6Very high2 Ų229.1 Ų29.11%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-117.5110.2-177.9-50.9-64.2000107.3F86 V98 L99 F100 L101 F127 C307 I319I55-F86 HydrophobicContact CD1-CD2 4.24Å; I55-V98 HydrophobicContact CG1-CG2 3.63Å; I55-L99 PolarHBondContact N-O 3Å; I55-F100 HydrophobicContact CB-CD1 3.64Å; I55-F100 HydrophobicContact CB-CE1 3.67Å; I55-F100 HydrophobicContact CG1-CD1 4.27Å; I55-F100 HydrophobicContact CG1-CE1 3.84Å; I55-F100 HydrophobicContact CG1-CZ 4.33Å; I55-F100 HydrophobicContact CG2-CD1 3.8Å; I55-F100 HydrophobicContact CG2-CE1 3.72Å; I55-F100 CarbonylContact O-C 3.49Å; I55-F100 VanDerWaalsContact O-CA 3.31Å; I55-F100 WeakPolarHBondContact O-CA 3.08Å; I55-L101 PolarHBondContact O-N 2.79Å; I55-F127 HydrophobicContact CG2-CE1 4.18Å; I55-F127 HydrophobicContact CG2-CZ 4.32Å; I55-C307 HydrophobicContact CG2-CB 4.09Å; I55-C307 WeakPolarHBondContact CG2-SG 3.34Å; I55-I319 HydrophobicContact CD1-CB 4.21Å; I55-I319 HydrophobicContact CD1-CD1 3.97Å; I55-I319 HydrophobicContact CD1-CG1 3.72Å; I55-I319 HydrophobicContact CD1-CG2 3.63Å
56A98Very high93.4Very high0 Ų034.1 Ų34.10%018%0.177CC..BIsolated β-bridgetrans-109.8147.4174.500000110S58 L101 V304 S306 C307A56-S58 PolarHBondContact O-N 2.73Å; A56-L101 HydrophobicContact CB-CB 3.99Å; A56-L101 HydrophobicContact CB-CD1 4.2Å; A56-V304 HydrophobicContact CB-CB 3.97Å; A56-V304 HydrophobicContact CB-CG1 3.95Å; A56-S306 WeakPolarHBondContact O-CA 3.12Å; A56-C307 PolarHBondContact O-N 2.66Å
57D97.6Very high93Very high0 Ų035.4 Ų35.40%018%0.18CC..  trans49.859.1165.4-35.2-54.4000111.3H59 G102 D103 H205 H232 H234 S306 T308D57-H59 PolarHBondContact O-CD2 3.39Å; D57-H59 PolarHBondContact O-N 2.89Å; D57-G102 PolarHBondContact N-O 2.63Å; D57-D103 CarbonylContact C-O 3.5Å; D57-D103 WeakPolarHBondContact CA-O 3.4Å; D57-D103 HydrophobicContact CB-CB 4.3Å; D57-H205 IonicContact OD1-CE1 3.71Å; D57-H205 PolarHBondContact OD1-CE1 3.02Å; D57-H232 PolarHBondContact OD1-N 3.28Å; D57-H234 IonicContact OD2-ND1 3.19Å; D57-S306 VanDerWaalsContact CB-OG 3.32Å; D57-S306 WeakPolarHBondContact CB-OG 3.09Å; D57-S306 PolarHBondContact OD2-OG 2.84Å; D57-T308 WeakPolarHBondContact O-CG2 3.48Å
58S97.1Very high92.8Very high2 Ų234.3 Ų34.31%0.01417%0.168CC..  trans-72.1-22.2177.858.20000112.6A56 I60 D103 V104 C307 T308A56-S58 PolarHBondContact O-N 2.73Å; S58-I60 VanDerWaalsContact C-N 3.35Å; S58-I60 PolarHBondContact O-N 2.64Å; S58-D103 PolarHBondContact N-O 2.73Å; S58-V104 WeakPolarHBondContact OG-CA 3.21Å; S58-V104 PolarHBondContact OG-O 2.67Å; S58-C307 WeakPolarHBondContact CA-SG 3.48Å; S58-C307 VanDerWaalsContact CB-SG 3.58Å; S58-T308 WeakPolarHBondContact O-CB 3.25Å; S58-T308 WeakPolarHBondContact O-CG2 3.32Å
59H95.5Very high92.5Very high9 Ų936.8 Ų36.84%0.04218%0.181CC..  trans37.662.7-179.7-66.5-94.2000111.9D57 E61 D103 D106 N142 H234 T308D57-H59 PolarHBondContact O-CD2 3.39Å; D57-H59 PolarHBondContact O-N 2.89Å; H59-E61 PolarHBondContact O-N 2.67Å; H59-D103 IonicContact CE1-OD2 3.55Å; H59-D103 PolarHBondContact N-O 2.83Å; H59-D103 IonicContact NE2-OD2 3.5Å; H59-D106 HydrophobicContact CB-CB 4.05Å; H59-D106 IonicContact CE1-OD1 3.6Å; H59-D106 IonicContact CG-OD1 3.57Å; H59-D106 IonicContact ND1-OD1 3.5Å; H59-D106 PolarHBondContact ND1-OD1 3.2Å; H59-N142 PolarHBondContact CE1-ND2 3.19Å; H59-N142 VanDerWaalsContact CE1-ND2 3.34Å; H59-H234 AromaticContact NE2-CE1 3.52Å; H59-T308 HydrophobicContact CB-CG2 4.07Å
60I96.9Very high92.1Very high1 Ų142 Ų421%0.00520%0.203CC..BIsolated β-bridgetrans-57.6118.9172.4-63.9-57.7000107.6S58 G62 L82 V104 L105 D106 A119 R122 F123 I126 F127S58-I60 VanDerWaalsContact C-N 3.35Å; S58-I60 PolarHBondContact O-N 2.64Å; I60-G62 PolarHBondContact O-N 2.71Å; I60-L82 HydrophobicContact CD1-CD1 3.57Å; I60-V104 WeakPolarHBondContact CG1-O 3.36Å; I60-V104 PolarHBondContact N-O 3.37Å; I60-L105 HydrophobicContact CB-CD2 4.08Å; I60-D106 PolarHBondContact O-N 3.36Å; I60-D106 VanDerWaalsContact O-N 3.16Å; I60-A119 HydrophobicContact CG2-CB 4.24Å; I60-R122 HydrophobicContact CG2-CB 4.23Å; I60-F123 HydrophobicContact CG1-CB 4.01Å; I60-F123 HydrophobicContact CG1-CD2 3.93Å; I60-F123 HydrophobicContact CG1-CG 4.48Å; I60-I126 HydrophobicContact CD1-CD1 3.53Å; I60-F127 HydrophobicContact CD1-CE2 4.22Å
61E92.6Very high91.6Very high11 Ų1142.1 Ų42.15%0.05120%0.204CC..  trans-59.5131-170.1-65.7-153.8126.200111.8H59 L74 Q75 R122 R310H59-E61 PolarHBondContact O-N 2.67Å; E61-L74 WeakPolarHBondContact OE2-CB 3.17Å; E61-Q75 HydrophobicContact CB-CG 4.07Å; E61-Q75 PolarHBondContact OE2-N 3.46Å; E61-R122 PolarHBondContact O-NH1 2.78Å; E61-R310 VanDerWaalsContact CD-CD 3.44Å; E61-R310 WeakPolarHBondContact OE1-CD 3.44Å; E61-R310 IonicContact OE1-CZ 2.9Å; E61-R310 VanDerWaalsContact OE1-CZ 3.31Å; E61-R310 IonicContact OE1-NE 3.94Å; E61-R310 PolarHBondContact OE1-NE 2.83Å; E61-R310 IonicContact OE1-NH1 3.25Å; E61-R310 PolarHBondContact OE1-NH1 3.32Å; E61-R310 IonicContact OE2-CZ 3.68Å; E61-R310 IonicContact OE2-NE 3.72Å; E61-R310 IonicContact OE2-NH1 3.26Å; E61-R310 PolarHBondContact OE2-NH1 3.15Å
62G88.1Confident91.2Very high6 Ų648 Ų486%0.06224%0.236CC..  trans-74.1-174.3172.500000113I60 Q75I60-G62 PolarHBondContact O-N 2.71Å; G62-Q75 PolarHBondContact O-NE2 3.04Å
63Y87.3Confident90.9Very high118 Ų11853.6 Ų53.646%0.46326%0.264SS..  trans-85.3125170.5-179.6-89.3000109.7W68 N71Y63-W68 VanDerWaalsContact OH-CB 3.29Å; Y63-W68 WeakPolarHBondContact OH-CB 3.32Å; Y63-N71 HydrophobicContact CD2-CB 4.44Å; Y63-N71 WeakPolarHBondContact CD2-ND2 3.46Å; Y63-N71 WeakPolarHBondContact CE2-ND2 3.18Å
64H82.9Confident90.4Very high41 Ų4155.5 Ų55.519%0.1927%0.274CS..  trans-99.5114.8174.1-57.2-76.2000110D66 L67 W68 N71H64-D66 VanDerWaalsContact C-N 3.31Å; H64-D66 PolarHBondContact O-N 2.91Å; H64-L67 HydrophobicContact CB-CB 4.13Å; H64-L67 CarbonylContact O-C 3.55Å; H64-L67 PolarHBondContact O-N 3.4Å; H64-W68 WeakPolarHBondContact O-CA 3.45Å; H64-W68 PolarHBondContact O-N 3.39Å; H64-W68 VanDerWaalsContact O-N 3.17Å; H64-N71 WeakPolarHBondContact CB-OD1 3.35Å; H64-N71 PolarHBondContact CD2-OD1 3.5Å; H64-N71 PolarHBondContact N-ND2 2.92Å; H64-N71 PolarHBondContact N-OD1 3.35Å; H64-N71 PolarHBondContact O-ND2 2.98Å
65S84.1Confident90.2Very high80 Ų8056 Ų5656%0.55928%0.277SS*.SBendtrans-62-39.4178.852.70000112.7L67 W68S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 2.91Å; S65-W68 PolarHBondContact O-N 3.37Å
66D82.9Confident90Very high149 Ų14958.1 Ų58.180%0.79729%0.294SS*.THydrogen-bonded Turntrans-76.8-19.6-173.7-59.5-10.5000111.8H64H64-D66 VanDerWaalsContact C-N 3.31Å; H64-D66 PolarHBondContact O-N 2.91Å
67L82.7Confident89.8Confident75 Ų7559.6 Ų59.639%0.39330%0.302SS..THydrogen-bonded Turntrans-118.630.4179.2-59.6177.1000111.6H64 S65 I69 F70 N71 L74H64-L67 HydrophobicContact CB-CB 4.13Å; H64-L67 CarbonylContact O-C 3.55Å; H64-L67 PolarHBondContact O-N 3.4Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 2.91Å; L67-I69 PolarHBondContact O-N 3.25Å; L67-F70 HydrophobicContact CD2-CD2 4.47Å; L67-F70 WeakPolarHBondContact O-CA 3.35Å; L67-F70 PolarHBondContact O-N 2.99Å; L67-N71 PolarHBondContact O-N 3.48Å; L67-L74 HydrophobicContact CD1-CD1 4.28Å
68W84.6Confident89.6Confident162 Ų16259.6 Ų59.661%0.61430%0.302SS*.G310 helixtrans-53.5-35.6-17070.6-90.2000114.7Y63 H64 S65 F70 N71Y63-W68 VanDerWaalsContact OH-CB 3.29Å; Y63-W68 WeakPolarHBondContact OH-CB 3.32Å; H64-W68 WeakPolarHBondContact O-CA 3.45Å; H64-W68 PolarHBondContact O-N 3.39Å; H64-W68 VanDerWaalsContact O-N 3.17Å; S65-W68 PolarHBondContact O-N 3.37Å; W68-F70 PolarHBondContact O-N 2.89Å; W68-N71 WeakPolarHBondContact CA-ND2 3.06Å
69I87.9Confident89.7Confident110 Ų11060.4 Ų60.456%0.56431%0.306SS*.G310 helixtrans-65.9-25.4179.4-55.7176.9000111.7L67L67-I69 PolarHBondContact O-N 3.25Å
70F86.7Confident89.7Confident112 Ų11265.2 Ų65.249%0.49133%0.332SS..G310 helixtrans-104.3-7.9-174.3-59.4-64.9000113.8L67 W68 D72 I73 L74L67-F70 HydrophobicContact CD2-CD2 4.47Å; L67-F70 WeakPolarHBondContact O-CA 3.35Å; L67-F70 PolarHBondContact O-N 2.99Å; W68-F70 PolarHBondContact O-N 2.89Å; F70-D72 VanDerWaalsContact C-N 3.33Å; F70-D72 PolarHBondContact O-N 2.96Å; F70-I73 PolarHBondContact O-N 3.26Å; F70-L74 HydrophobicContact CB-CD1 4.01Å; F70-L74 HydrophobicContact CB-CG 4.2Å; F70-L74 WeakPolarHBondContact O-CG 3.28Å; F70-L74 PolarHBondContact O-N 2.85Å
71N87.1Confident89.7Confident2 Ų265.6 Ų65.61%0.01133%0.334CS..Hα-helixtrans-50.9-50.7-175.5-84.7-37.8000112.2Y63 H64 L67 W68 I73 L74 Q75Y63-N71 HydrophobicContact CD2-CB 4.44Å; Y63-N71 WeakPolarHBondContact CD2-ND2 3.46Å; Y63-N71 WeakPolarHBondContact CE2-ND2 3.18Å; H64-N71 WeakPolarHBondContact CB-OD1 3.35Å; H64-N71 PolarHBondContact CD2-OD1 3.5Å; H64-N71 PolarHBondContact N-ND2 2.92Å; H64-N71 PolarHBondContact N-OD1 3.35Å; H64-N71 PolarHBondContact O-ND2 2.98Å; L67-N71 PolarHBondContact O-N 3.48Å; W68-N71 WeakPolarHBondContact CA-ND2 3.06Å; N71-I73 VanDerWaalsContact C-N 3.26Å; N71-I73 PolarHBondContact O-N 3.27Å; N71-L74 PolarHBondContact O-N 3.43Å; N71-Q75 WeakPolarHBondContact O-CB 3.35Å; N71-Q75 WeakPolarHBondContact O-CG 3.44Å; N71-Q75 PolarHBondContact O-N 3.43Å
72D90.6Very high90Very high128 Ų12865.3 Ų65.368%0.68433%0.332SS*.Hα-helixtrans-58.1-38.8-178.4-67.6-14.6000112.7F70 A76F70-D72 VanDerWaalsContact C-N 3.33Å; F70-D72 PolarHBondContact O-N 2.96Å; D72-A76 WeakPolarHBondContact O-CB 3.34Å; D72-A76 PolarHBondContact O-N 2.83Å
73I90.3Very high90.4Very high117 Ų11769.1 Ų69.160%0.635%0.345SS*.Hα-helixtrans-73.6-45.2-179.2-60178.2000110.4F70 N71 A76 D77F70-I73 PolarHBondContact O-N 3.26Å; N71-I73 VanDerWaalsContact C-N 3.26Å; N71-I73 PolarHBondContact O-N 3.27Å; I73-A76 PolarHBondContact O-N 2.91Å; I73-D77 WeakPolarHBondContact O-CB 3.44Å; I73-D77 PolarHBondContact O-N 3.17Å
74L89Confident90.9Very high40 Ų4065.8 Ų65.821%0.20933%0.333CS..Hα-helixtrans-61.8-48.1179.4-68.5174.4000110.7E61 L67 F70 N71 D77 S78 R310E61-L74 WeakPolarHBondContact OE2-CB 3.17Å; L67-L74 HydrophobicContact CD1-CD1 4.28Å; F70-L74 HydrophobicContact CB-CD1 4.01Å; F70-L74 HydrophobicContact CB-CG 4.2Å; F70-L74 WeakPolarHBondContact O-CG 3.28Å; F70-L74 PolarHBondContact O-N 2.85Å; N71-L74 PolarHBondContact O-N 3.43Å; L74-D77 PolarHBondContact O-N 3.48Å; L74-S78 PolarHBondContact O-N 3.4Å; L74-S78 VanDerWaalsContact O-N 3.07Å; L74-R310 PolarHBondContact O-NH2 3.3Å; L74-R310 VanDerWaalsContact O-NH2 3.13Å
75Q93.6Very high91.6Very high12 Ų1263.9 Ų63.96%0.05632%0.324CS..Hα-helixtrans-63-46.3178.3-72.4-178.49.200111.9E61 G62 N71 D77 S78 D79 R122E61-Q75 HydrophobicContact CB-CG 4.07Å; E61-Q75 PolarHBondContact OE2-N 3.46Å; G62-Q75 PolarHBondContact O-NE2 3.04Å; N71-Q75 WeakPolarHBondContact O-CB 3.35Å; N71-Q75 WeakPolarHBondContact O-CG 3.44Å; N71-Q75 PolarHBondContact O-N 3.43Å; Q75-D77 PolarHBondContact O-N 3.39Å; Q75-S78 PolarHBondContact O-N 2.66Å; Q75-D79 VanDerWaalsContact O-CB 3.28Å; Q75-D79 WeakPolarHBondContact O-CB 3.49Å; Q75-D79 PolarHBondContact O-N 3.17Å; Q75-R122 VanDerWaalsContact CB-CZ 3.41Å; Q75-R122 PolarHBondContact O-NH2 3.26Å
76A94.2Very high92.3Very high45 Ų4560.1 Ų60.137%0.37230%0.298SS..Hα-helixtrans-62.6-42.2177.500000112.2D72 I73 D79 D80D72-A76 WeakPolarHBondContact O-CB 3.34Å; D72-A76 PolarHBondContact O-N 2.83Å; I73-A76 PolarHBondContact O-N 2.91Å; A76-D79 PolarHBondContact O-N 3.34Å; A76-D80 VanDerWaalsContact O-CB 3.32Å; A76-D80 WeakPolarHBondContact O-CB 3.04Å; A76-D80 PolarHBondContact O-N 3.31Å
77D94Very high92.9Very high31 Ų3154.6 Ų54.617%0.16627%0.268CS..Hα-helixtrans-62.8-43.7178.4-179.391.9000112.3I73 L74 Q75 Y81 Y309 R310 R340I73-D77 WeakPolarHBondContact O-CB 3.44Å; I73-D77 PolarHBondContact O-N 3.17Å; L74-D77 PolarHBondContact O-N 3.48Å; Q75-D77 PolarHBondContact O-N 3.39Å; D77-Y81 WeakPolarHBondContact O-CB 3.47Å; D77-Y81 PolarHBondContact O-N 2.73Å; D77-Y81 VanDerWaalsContact O-N 3.16Å; D77-Y309 PolarHBondContact OD2-OH 3.03Å; D77-R310 IonicContact OD2-NH2 3.41Å; D77-R310 PolarHBondContact OD2-NH2 3.3Å; D77-R340 VanDerWaalsContact CG-NE 3.33Å; D77-R340 IonicContact OD1-CZ 3.71Å; D77-R340 IonicContact OD1-NE 2.58Å; D77-R340 PolarHBondContact OD1-NE 3.49Å; D77-R340 IonicContact OD1-NH2 3.71Å; D77-R340 PolarHBondContact OD1-NH2 3.31Å; D77-R340 IonicContact OD2-NE 3.31Å; D77-R340 PolarHBondContact OD2-NE 3.26Å
78S94.4Very high93.6Very high0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-65.2-45.6175.4-168.10000111.8L74 Q75 Y81 L82L74-S78 PolarHBondContact O-N 3.4Å; L74-S78 VanDerWaalsContact O-N 3.07Å; Q75-S78 PolarHBondContact O-N 2.66Å; S78-Y81 WeakPolarHBondContact O-CB 3.29Å; S78-Y81 PolarHBondContact O-N 3.36Å; S78-L82 WeakPolarHBondContact O-CG 3.42Å; S78-L82 PolarHBondContact O-N 3.3Å
79D97.5Very high94.2Very high20 Ų2045.6 Ų45.611%0.10723%0.23CC..Hα-helixtrans-63.7-45-178.8-76.57.2000112.4Q75 A76 Y81 L82 R83 R122 I126Q75-D79 VanDerWaalsContact O-CB 3.28Å; Q75-D79 WeakPolarHBondContact O-CB 3.49Å; Q75-D79 PolarHBondContact O-N 3.17Å; A76-D79 PolarHBondContact O-N 3.34Å; D79-Y81 VanDerWaalsContact C-N 3.34Å; D79-L82 PolarHBondContact O-N 3.41Å; D79-R83 WeakPolarHBondContact O-CB 3.19Å; D79-R83 PolarHBondContact O-N 3.45Å; D79-R122 IonicContact OD1-CZ 2.9Å; D79-R122 IonicContact OD1-NE 3.7Å; D79-R122 PolarHBondContact OD1-NE 2.9Å; D79-R122 IonicContact OD1-NH2 3.94Å; D79-R122 PolarHBondContact OD1-NH2 2.88Å; D79-R122 IonicContact OD2-CZ 2.74Å; D79-R122 IonicContact OD2-NE 2.94Å; D79-R122 PolarHBondContact OD2-NE 2.87Å; D79-R122 IonicContact OD2-NH2 3.64Å; D79-I126 HydrophobicContact CB-CD1 3.81Å; D79-I126 HydrophobicContact CB-CG1 4.29Å; D79-I126 WeakPolarHBondContact OD1-CD1 3.14Å
80D96.2Very high94.6Very high109 Ų10941.2 Ų41.258%0.58321%0.208SC*.Hα-helixtrans-67.1-38179.8-76.9-19.2000111A76 F84A76-D80 VanDerWaalsContact O-CB 3.32Å; A76-D80 WeakPolarHBondContact O-CB 3.04Å; A76-D80 PolarHBondContact O-N 3.31Å; D80-F84 VanDerWaalsContact O-CB 3.25Å; D80-F84 WeakPolarHBondContact O-CB 3.15Å; D80-F84 PolarHBondContact O-N 2.93Å
81Y97Very high94.9Very high9 Ų941.6 Ų41.64%0.03521%0.212CC..Hα-helixtrans-58.3-54.1171.6175.2-86.1000111.4D77 S78 D79 R83 F84 Y85 Y309 L337 Y338 R340D77-Y81 WeakPolarHBondContact O-CB 3.47Å; D77-Y81 PolarHBondContact O-N 2.73Å; D77-Y81 VanDerWaalsContact O-N 3.16Å; S78-Y81 WeakPolarHBondContact O-CB 3.29Å; S78-Y81 PolarHBondContact O-N 3.36Å; D79-Y81 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 2.66Å; Y81-F84 PolarHBondContact O-N 2.64Å; Y81-Y85 HydrophobicContact CD1-CD2 4.19Å; Y81-Y85 HydrophobicContact CD2-CD2 4.06Å; Y81-Y85 AromaticContact CD2-CE2 3.72Å; Y81-Y85 HydrophobicContact CD2-CE2 3.72Å; Y81-Y85 AromaticContact CE1-CD2 3.97Å; Y81-Y85 HydrophobicContact CE1-CD2 3.97Å; Y81-Y85 HydrophobicContact CE1-CE2 4.3Å; Y81-Y85 AromaticContact CE2-CD2 3.9Å; Y81-Y85 HydrophobicContact CE2-CD2 3.9Å; Y81-Y85 AromaticContact CE2-CE2 3.4Å; Y81-Y85 HydrophobicContact CE2-CE2 3.4Å; Y81-Y85 HydrophobicContact CG-CD2 4.24Å; Y81-Y85 HydrophobicContact CG-CE2 4.35Å; Y81-Y85 AromaticContact CZ-CD2 3.85Å; Y81-Y85 AromaticContact CZ-CE2 3.72Å; Y81-Y85 VanDerWaalsContact O-CD2 3.32Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.39Å; Y81-Y85 PolarHBondContact O-N 3.39Å; Y81-Y309 AromaticContact CD1-CD1 3.82Å; Y81-Y309 HydrophobicContact CD1-CD1 3.82Å; Y81-Y309 HydrophobicContact CD1-CE1 4.16Å; Y81-Y309 AromaticContact CD2-CD1 3.86Å; Y81-Y309 HydrophobicContact CD2-CD1 3.86Å; Y81-Y309 HydrophobicContact CD2-CE1 4.02Å; Y81-Y309 AromaticContact CE1-CD1 3.83Å; Y81-Y309 HydrophobicContact CE1-CD1 3.83Å; Y81-Y309 AromaticContact CE2-CD1 3.79Å; Y81-Y309 HydrophobicContact CE2-CD1 3.79Å; Y81-Y309 HydrophobicContact CE2-CE1 4.41Å; Y81-Y309 AromaticContact CG-CD1 3.84Å; Y81-Y309 HydrophobicContact CG-CD1 3.84Å; Y81-Y309 AromaticContact CG-CE1 3.85Å; Y81-Y309 HydrophobicContact CG-CE1 3.85Å; Y81-Y309 AromaticContact CZ-CD1 3.79Å; Y81-L337 HydrophobicContact CE1-CD1 4.1Å; Y81-L337 WeakPolarHBondContact OH-CB 3.17Å; Y81-Y338 HydrophobicContact CD2-CD1 4.45Å; Y81-Y338 HydrophobicContact CD2-CE1 4.37Å; Y81-Y338 AromaticContact CE2-CD1 3.81Å; Y81-Y338 HydrophobicContact CE2-CD1 3.81Å; Y81-Y338 HydrophobicContact CE2-CE1 4.09Å; Y81-Y338 VanDerWaalsContact CE2-O 3.27Å; Y81-Y338 WeakPolarHBondContact CE2-O 3.2Å; Y81-Y338 PolarHBondContact OH-O 2.98Å; Y81-R340 HydrophobicContact CD2-CB 4.15Å; Y81-R340 HydrophobicContact CE2-CB 4.09Å
82L98.2Very high95.3Very high5 Ų542.6 Ų42.63%0.02622%0.223CC..Hα-helixtrans-61.7-45.5-178.5-73.2172.9000111.4I60 S78 D79 F84 Y85 F86 I126 F127 C307I60-L82 HydrophobicContact CD1-CD1 3.57Å; S78-L82 WeakPolarHBondContact O-CG 3.42Å; S78-L82 PolarHBondContact O-N 3.3Å; D79-L82 PolarHBondContact O-N 3.41Å; L82-F84 PolarHBondContact O-N 2.91Å; L82-Y85 PolarHBondContact O-N 3.09Å; L82-F86 WeakPolarHBondContact O-CB 3.44Å; L82-F86 PolarHBondContact O-N 3.45Å; L82-I126 HydrophobicContact CB-CG2 3.95Å; L82-F127 HydrophobicContact CB-CZ 4.08Å; L82-F127 HydrophobicContact CD1-CE2 4.45Å; L82-F127 HydrophobicContact CD1-CZ 4.39Å; L82-F127 HydrophobicContact CD2-CZ 4.26Å; L82-F127 HydrophobicContact CG-CZ 4.5Å; L82-C307 VanDerWaalsContact CD2-O 3.29Å; L82-C307 WeakPolarHBondContact CD2-O 3.45Å
83R97.8Very high95.6Very high87 Ų8736.5 Ų36.533%0.32819%0.19SC..Hα-helixtrans-61.3-45.2179-177.4-177.8172.397.23.7111.5D79 Y81 L87 K125 I126D79-R83 WeakPolarHBondContact O-CB 3.19Å; D79-R83 PolarHBondContact O-N 3.45Å; Y81-R83 PolarHBondContact O-N 2.66Å; R83-L87 HydrophobicContact CG-CD1 3.85Å; R83-L87 HydrophobicContact CG-CG 4.35Å; R83-L87 WeakPolarHBondContact O-CB 3.41Å; R83-L87 VanDerWaalsContact O-CG 3.25Å; R83-L87 WeakPolarHBondContact O-CG 3.25Å; R83-L87 PolarHBondContact O-N 2.87Å; R83-K125 PolarHBondContact NH1-O 3.26Å; R83-I126 HydrophobicContact CB-CG1 4.49Å; R83-I126 HydrophobicContact CB-CG2 4.07Å
84F97.4Very high95.8Very high47 Ų4733.8 Ų33.821%0.20618%0.176CC..Hα-helixtrans-56.8-55.2178.7173.6-96000110.8P31 Y32 L35 D80 Y81 L82 L87 K88P31-F84 HydrophobicContact CB-CD1 4.36Å; P31-F84 HydrophobicContact CB-CE1 3.79Å; P31-F84 HydrophobicContact CB-CZ 4.02Å; Y32-F84 HydrophobicContact CD2-CE2 4.02Å; Y32-F84 AromaticContact CD2-CZ 3.85Å; Y32-F84 HydrophobicContact CD2-CZ 3.85Å; Y32-F84 AromaticContact CE2-CE2 3.51Å; Y32-F84 HydrophobicContact CE2-CE2 3.51Å; Y32-F84 AromaticContact CE2-CZ 3.83Å; Y32-F84 HydrophobicContact CE2-CZ 3.83Å; Y32-F84 HydrophobicContact CG-CZ 4.33Å; Y32-F84 AromaticContact CZ-CE2 3.84Å; L35-F84 HydrophobicContact CD1-CE1 4.31Å; L35-F84 HydrophobicContact CD1-CZ 4.02Å; L35-F84 HydrophobicContact CD2-CE1 4.25Å; L35-F84 HydrophobicContact CG-CE1 4.46Å; D80-F84 VanDerWaalsContact O-CB 3.25Å; D80-F84 WeakPolarHBondContact O-CB 3.15Å; D80-F84 PolarHBondContact O-N 2.93Å; Y81-F84 PolarHBondContact O-N 2.64Å; L82-F84 PolarHBondContact O-N 2.91Å; F84-L87 PolarHBondContact O-N 3.21Å; F84-K88 HydrophobicContact CE1-CG 4.26Å; F84-K88 HydrophobicContact CE2-CG 4.23Å; F84-K88 HydrophobicContact CZ-CG 4.1Å; F84-K88 VanDerWaalsContact O-CG 3.25Å; F84-K88 WeakPolarHBondContact O-CG 3.44Å; F84-K88 PolarHBondContact O-N 3.38Å
85Y98Very high96Very high2 Ų232.4 Ų32.41%0.00817%0.17CC..Hα-helixtrans-69.6-38-175.8-77-68.1000112.9S34 L35 W38 Y81 L82 K88 A89 L337 Y338S34-Y85 PolarHBondContact OG-OH 3.27Å; L35-Y85 HydrophobicContact CD2-CD1 3.83Å; L35-Y85 HydrophobicContact CD2-CE1 3.72Å; W38-Y85 HydrophobicContact CH2-CD1 4.2Å; W38-Y85 AromaticContact CZ2-CD1 3.67Å; W38-Y85 HydrophobicContact CZ2-CD1 3.67Å; W38-Y85 HydrophobicContact CZ2-CE1 4.35Å; Y81-Y85 HydrophobicContact CD1-CD2 4.19Å; Y81-Y85 HydrophobicContact CD2-CD2 4.06Å; Y81-Y85 AromaticContact CD2-CE2 3.72Å; Y81-Y85 HydrophobicContact CD2-CE2 3.72Å; Y81-Y85 AromaticContact CE1-CD2 3.97Å; Y81-Y85 HydrophobicContact CE1-CD2 3.97Å; Y81-Y85 HydrophobicContact CE1-CE2 4.3Å; Y81-Y85 AromaticContact CE2-CD2 3.9Å; Y81-Y85 HydrophobicContact CE2-CD2 3.9Å; Y81-Y85 AromaticContact CE2-CE2 3.4Å; Y81-Y85 HydrophobicContact CE2-CE2 3.4Å; Y81-Y85 HydrophobicContact CG-CD2 4.24Å; Y81-Y85 HydrophobicContact CG-CE2 4.35Å; Y81-Y85 AromaticContact CZ-CD2 3.85Å; Y81-Y85 AromaticContact CZ-CE2 3.72Å; Y81-Y85 VanDerWaalsContact O-CD2 3.32Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.39Å; Y81-Y85 PolarHBondContact O-N 3.39Å; L82-Y85 PolarHBondContact O-N 3.09Å; Y85-K88 PolarHBondContact O-N 3.45Å; Y85-A89 WeakPolarHBondContact O-CB 3.49Å; Y85-A89 PolarHBondContact O-N 2.97Å; Y85-L337 HydrophobicContact CD1-CD2 3.63Å; Y85-L337 HydrophobicContact CD2-CB 4.49Å; Y85-L337 HydrophobicContact CD2-CD2 4.36Å; Y85-L337 HydrophobicContact CE1-CD2 4.27Å; Y85-L337 HydrophobicContact CG-CD2 3.66Å; Y85-L337 HydrophobicContact CG-CG 4.47Å; Y85-Y338 HydrophobicContact CE2-CD1 4.28Å; Y85-Y338 VanDerWaalsContact OH-CD1 3.28Å; Y85-Y338 WeakPolarHBondContact OH-CD1 3.2Å
86F98.1Very high96.1Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-60.1-49.9175.2176.9-110.5000111.8L53 I55 L82 K88 A89 V90 V98 I126 F127 E130 L133L53-F86 HydrophobicContact CD1-CE2 4.32Å; I55-F86 HydrophobicContact CD1-CD2 4.24Å; L82-F86 WeakPolarHBondContact O-CB 3.44Å; L82-F86 PolarHBondContact O-N 3.45Å; F86-K88 VanDerWaalsContact C-N 3.31Å; F86-K88 PolarHBondContact O-N 3.44Å; F86-A89 PolarHBondContact O-N 3.38Å; F86-A89 VanDerWaalsContact O-N 3.12Å; F86-V90 HydrophobicContact CD1-CG2 4.46Å; F86-V90 HydrophobicContact CD2-CG2 4.26Å; F86-V90 HydrophobicContact CE1-CG2 4.02Å; F86-V90 HydrophobicContact CE2-CG2 3.8Å; F86-V90 HydrophobicContact CZ-CG2 3.67Å; F86-V90 WeakPolarHBondContact O-CG2 3.34Å; F86-V90 PolarHBondContact O-N 3.31Å; F86-V98 HydrophobicContact CE2-CG2 4.27Å; F86-I126 WeakPolarHBondContact CD1-O 3.07Å; F86-F127 HydrophobicContact CB-CD1 4.02Å; F86-F127 HydrophobicContact CB-CE1 3.82Å; F86-F127 AromaticContact CD1-CD1 3.87Å; F86-F127 HydrophobicContact CD1-CD1 3.87Å; F86-F127 AromaticContact CD2-CD1 3.6Å; F86-F127 HydrophobicContact CD2-CD1 3.6Å; F86-F127 AromaticContact CD2-CE1 3.91Å; F86-F127 HydrophobicContact CD2-CE1 3.91Å; F86-F127 HydrophobicContact CE1-CD1 4.23Å; F86-F127 WeakPolarHBondContact CE1-O 3.1Å; F86-F127 AromaticContact CE2-CD1 3.98Å; F86-F127 HydrophobicContact CE2-CD1 3.98Å; F86-F127 AromaticContact CG-CD1 3.53Å; F86-F127 HydrophobicContact CG-CD1 3.53Å; F86-F127 AromaticContact CG-CE1 3.83Å; F86-F127 HydrophobicContact CG-CE1 3.83Å; F86-F127 HydrophobicContact CZ-CD1 4.27Å; F86-F127 WeakPolarHBondContact CZ-O 3.43Å; F86-E130 HydrophobicContact CE1-CG 4.3Å; F86-L133 HydrophobicContact CZ-CD1 4.3Å
87L96.4Very high96.1Very high34 Ų3431 Ų3118%0.17816%0.157CC..Hα-helixtrans-62.7-39.4179.3-69.4176.8000111.9R83 F84 A89 V90 Q91 E130R83-L87 HydrophobicContact CG-CD1 3.85Å; R83-L87 HydrophobicContact CG-CG 4.35Å; R83-L87 WeakPolarHBondContact O-CB 3.41Å; R83-L87 VanDerWaalsContact O-CG 3.25Å; R83-L87 WeakPolarHBondContact O-CG 3.25Å; R83-L87 PolarHBondContact O-N 2.87Å; F84-L87 PolarHBondContact O-N 3.21Å; L87-A89 VanDerWaalsContact C-N 3.35Å; L87-V90 PolarHBondContact O-N 3.39Å; L87-Q91 WeakPolarHBondContact O-CB 3.33Å; L87-Q91 VanDerWaalsContact O-CG 3.23Å; L87-Q91 WeakPolarHBondContact O-CG 3.34Å; L87-Q91 PolarHBondContact O-N 2.91Å; L87-E130 HydrophobicContact CD2-CG 4.3Å; L87-E130 WeakPolarHBondContact CD2-OE1 3.27Å
88K97.1Very high96.3Very high48 Ų4829.6 Ų29.621%0.20915%0.149CC..Hα-helixtrans-64.9-38.8174.5-66.9-61.6-179.3-171.70111.9Y32 L35 W38 F84 Y85 F86 G92Y32-K88 PolarHBondContact OH-NZ 3.4Å; L35-K88 HydrophobicContact CD1-CB 4.31Å; L35-K88 HydrophobicContact CD1-CD 4.01Å; L35-K88 HydrophobicContact CD1-CG 3.89Å; L35-K88 HydrophobicContact CD2-CB 4.14Å; L35-K88 HydrophobicContact CD2-CG 4.38Å; W38-K88 HydrophobicContact CH2-CB 3.79Å; W38-K88 HydrophobicContact CZ3-CB 3.79Å; F84-K88 HydrophobicContact CE1-CG 4.26Å; F84-K88 HydrophobicContact CE2-CG 4.23Å; F84-K88 HydrophobicContact CZ-CG 4.1Å; F84-K88 VanDerWaalsContact O-CG 3.25Å; F84-K88 WeakPolarHBondContact O-CG 3.44Å; F84-K88 PolarHBondContact O-N 3.38Å; Y85-K88 PolarHBondContact O-N 3.45Å; F86-K88 VanDerWaalsContact C-N 3.31Å; F86-K88 PolarHBondContact O-N 3.44Å; K88-G92 PolarHBondContact O-N 3.46Å
89A97.1Very high96.4Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-66.5-44.2177.600000111.3W38 L53 Y85 F86 L87 G92 T93 I319 L335W38-A89 HydrophobicContact CH2-CB 3.96Å; W38-A89 HydrophobicContact CZ3-CB 4.22Å; L53-A89 HydrophobicContact CD1-CB 3.93Å; L53-A89 HydrophobicContact CD2-CB 4.15Å; Y85-A89 WeakPolarHBondContact O-CB 3.49Å; Y85-A89 PolarHBondContact O-N 2.97Å; F86-A89 PolarHBondContact O-N 3.38Å; F86-A89 VanDerWaalsContact O-N 3.12Å; L87-A89 VanDerWaalsContact C-N 3.35Å; A89-G92 PolarHBondContact O-N 2.9Å; A89-T93 WeakPolarHBondContact O-CB 3.24Å; A89-T93 VanDerWaalsContact O-CG2 3.26Å; A89-T93 WeakPolarHBondContact O-CG2 3.45Å; A89-T93 PolarHBondContact O-N 3.22Å; A89-T93 PolarHBondContact O-OG1 2.93Å; A89-I319 HydrophobicContact CB-CD1 3.89Å; A89-I319 HydrophobicContact CB-CG2 4.28Å; A89-L335 HydrophobicContact CB-CD1 4.03Å
90V96Very high96.4Very high17 Ų1728.7 Ų28.710%0.10315%0.145CC..Hα-helixtrans-59.2-51175.6173.40000110.6L53 F86 L87 N94 E130 L133L53-V90 HydrophobicContact CD1-CB 4.43Å; L53-V90 HydrophobicContact CD1-CG2 3.62Å; F86-V90 HydrophobicContact CD1-CG2 4.46Å; F86-V90 HydrophobicContact CD2-CG2 4.26Å; F86-V90 HydrophobicContact CE1-CG2 4.02Å; F86-V90 HydrophobicContact CE2-CG2 3.8Å; F86-V90 HydrophobicContact CZ-CG2 3.67Å; F86-V90 WeakPolarHBondContact O-CG2 3.34Å; F86-V90 PolarHBondContact O-N 3.31Å; L87-V90 PolarHBondContact O-N 3.39Å; V90-N94 PolarHBondContact O-N 2.93Å; V90-E130 HydrophobicContact CG1-CG 4.46Å; V90-L133 HydrophobicContact CG1-CD1 4.12Å; V90-L133 HydrophobicContact CG2-CD1 3.84Å
91Q93.8Very high96.4Very high121 Ų12123.5 Ų23.557%0.56512%0.117SC*.Hα-helixtrans-65-40.2-179.5-70.7171.64.300113L87L87-Q91 WeakPolarHBondContact O-CB 3.33Å; L87-Q91 VanDerWaalsContact O-CG 3.23Å; L87-Q91 WeakPolarHBondContact O-CG 3.34Å; L87-Q91 PolarHBondContact O-N 2.91Å
92G95.1Very high96.3Very high23 Ų2323.1 Ų23.124%0.23712%0.116CC..Hα-helixtrans-78-25.1-175.300000113.9K88 A89K88-G92 PolarHBondContact O-N 3.46Å; A89-G92 PolarHBondContact O-N 2.9Å
93T95.7Very high96.2Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-104.6-18.3-175.8650000113.7L40 R51 L53 A89 S95 L321 L335L40-T93 HydrophobicContact CD2-CG2 3.89Å; R51-T93 WeakPolarHBondContact CD-O 3.13Å; R51-T93 PolarHBondContact NH1-O 2.88Å; L53-T93 HydrophobicContact CD2-CG2 4.18Å; A89-T93 WeakPolarHBondContact O-CB 3.24Å; A89-T93 VanDerWaalsContact O-CG2 3.26Å; A89-T93 WeakPolarHBondContact O-CG2 3.45Å; A89-T93 PolarHBondContact O-N 3.22Å; A89-T93 PolarHBondContact O-OG1 2.93Å; T93-S95 PolarHBondContact O-N 2.93Å; T93-S95 PolarHBondContact OG1-N 2.91Å; T93-L321 HydrophobicContact CG2-CD1 3.94Å; T93-L321 HydrophobicContact CG2-CD2 3.79Å; T93-L321 HydrophobicContact CG2-CG 4.35Å; T93-L335 HydrophobicContact CG2-CD1 3.96Å
94N94.7Very high96.2Very high59 Ų5918.9 Ų18.932%0.31610%0.1SC..THydrogen-bonded Turntrans49.947.1-169.9-66.5-54.7000111.7N43 V90N43-N94 PolarHBondContact O-ND2 3.31Å; N43-N94 PolarHBondContact OD1-ND2 3.45Å; V90-N94 PolarHBondContact O-N 2.93Å
95S94.7Very high96.1Very high11 Ų1116.8 Ų16.88%0.0779%0.09CC..  trans-58.9143.6179.758.20000112.1T93 L133T93-S95 PolarHBondContact O-N 2.93Å; T93-S95 PolarHBondContact OG1-N 2.91Å; S95-L133 WeakPolarHBondContact O-CD2 3.45Å
96N94.7Very high95.8Very high29 Ų2917.7 Ų17.716%0.15510%0.095CC..SBendtrans-83.3-23.8173-54.5113.7000112.5V50 R51 F134 Y172V50-N96 WeakPolarHBondContact CA-OD1 3.46Å; R51-N96 PolarHBondContact N-OD1 3.04Å; R51-N96 PolarHBondContact O-N 3.23Å; N96-F134 HydrophobicContact CB-CE1 4.11Å; N96-F134 WeakPolarHBondContact O-CD1 3.45Å; N96-F134 PolarHBondContact O-N 2.94Å; N96-Y172 HydrophobicContact CB-CE1 3.83Å
97G95.4Very high95.4Very high0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-165.1179.1179.700000113.5R51 I52 L53 F134R51-G97 PolarHBondContact O-N 3.26Å; I52-G97 WeakPolarHBondContact CA-O 3.48Å; L53-G97 PolarHBondContact N-O 3.15Å; G97-F134 CarbonylContact C-O 3.58Å; G97-F134 WeakPolarHBondContact CA-O 3.21Å
98V96.8Very high95.3Very high0 Ų018.1 Ų18.10%010%0.1CC..EExtended strand (participates in β ladder)trans-136.5136.7-179.157.70000110.9L53 I55 F86 F100 F134 V135 I136L53-V98 HydrophobicContact CB-CB 4.34Å; L53-V98 HydrophobicContact CB-CG2 4.15Å; L53-V98 CarbonylContact O-C 3.57Å; L53-V98 VanDerWaalsContact O-CA 3.28Å; L53-V98 WeakPolarHBondContact O-CA 3.2Å; I55-V98 HydrophobicContact CG1-CG2 3.63Å; F86-V98 HydrophobicContact CE2-CG2 4.27Å; V98-F100 HydrophobicContact CB-CE2 4.29Å; V98-F100 HydrophobicContact CG1-CD2 4.44Å; V98-F100 HydrophobicContact CG1-CE2 3.62Å; V98-F100 HydrophobicContact CG1-CZ 4.17Å; V98-F100 HydrophobicContact CG2-CD2 4.23Å; V98-F100 HydrophobicContact CG2-CE1 4.32Å; V98-F100 HydrophobicContact CG2-CE2 3.66Å; V98-F100 HydrophobicContact CG2-CZ 3.66Å; V98-F134 PolarHBondContact N-O 3.22Å; V98-V135 HydrophobicContact CG1-CB 4.26Å; V98-V135 HydrophobicContact CG1-CG1 4.18Å; V98-V135 HydrophobicContact CG1-CG2 3.74Å; V98-I136 PolarHBondContact O-N 2.84Å
99L96.7Very high95.2Very high0 Ų017 Ų170%010%0.096CC..EExtended strand (participates in β ladder)trans-108.2122.7170.6-53.5-178.2000109.1I52 L53 L54 I55 L101 I136 F177 V203 I229I52-L99 HydrophobicContact CG2-CD1 4.09Å; I52-L99 HydrophobicContact CG2-CD2 4.37Å; I52-L99 HydrophobicContact CG2-CG 3.63Å; L53-L99 PolarHBondContact O-N 3.06Å; L54-L99 HydrophobicContact CD2-CB 3.91Å; L54-L99 HydrophobicContact CD2-CD1 3.65Å; L54-L99 HydrophobicContact CD2-CG 3.96Å; I55-L99 PolarHBondContact N-O 3Å; L99-L101 HydrophobicContact CB-CD2 4.24Å; L99-I136 WeakPolarHBondContact CA-O 3.37Å; L99-I136 HydrophobicContact CD2-CB 3.52Å; L99-I136 HydrophobicContact CD2-CD1 3.53Å; L99-I136 HydrophobicContact CD2-CG1 3.69Å; L99-I136 HydrophobicContact CD2-CG2 4.37Å; L99-F177 HydrophobicContact CD1-CD1 4.09Å; L99-F177 HydrophobicContact CD1-CE1 3.95Å; L99-F177 HydrophobicContact CD2-CD1 4.16Å; L99-F177 HydrophobicContact CD2-CE1 4.26Å; L99-V203 HydrophobicContact CD1-CG2 4.03Å; L99-I229 HydrophobicContact CD1-CD1 4.08Å
100F96.8Very high95Very high2 Ų222.1 Ų22.11%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-95.8123169.1-67.8-81.3000109.2I55 V98 F123 F127 L128 V135 I136 L137 T138I55-F100 HydrophobicContact CB-CD1 3.64Å; I55-F100 HydrophobicContact CB-CE1 3.67Å; I55-F100 HydrophobicContact CG1-CD1 4.27Å; I55-F100 HydrophobicContact CG1-CE1 3.84Å; I55-F100 HydrophobicContact CG1-CZ 4.33Å; I55-F100 HydrophobicContact CG2-CD1 3.8Å; I55-F100 HydrophobicContact CG2-CE1 3.72Å; I55-F100 CarbonylContact O-C 3.49Å; I55-F100 VanDerWaalsContact O-CA 3.31Å; I55-F100 WeakPolarHBondContact O-CA 3.08Å; V98-F100 HydrophobicContact CB-CE2 4.29Å; V98-F100 HydrophobicContact CG1-CD2 4.44Å; V98-F100 HydrophobicContact CG1-CE2 3.62Å; V98-F100 HydrophobicContact CG1-CZ 4.17Å; V98-F100 HydrophobicContact CG2-CD2 4.23Å; V98-F100 HydrophobicContact CG2-CE1 4.32Å; V98-F100 HydrophobicContact CG2-CE2 3.66Å; V98-F100 HydrophobicContact CG2-CZ 3.66Å; F100-F123 AromaticContact CD1-CE2 3.86Å; F100-F123 HydrophobicContact CD1-CE2 3.86Å; F100-F123 AromaticContact CD1-CZ 3.56Å; F100-F123 HydrophobicContact CD1-CZ 3.56Å; F100-F123 HydrophobicContact CD2-CZ 4.14Å; F100-F123 AromaticContact CE1-CE2 3.85Å; F100-F123 HydrophobicContact CE1-CE2 3.85Å; F100-F123 AromaticContact CE1-CZ 3.61Å; F100-F123 HydrophobicContact CE1-CZ 3.61Å; F100-F123 HydrophobicContact CE2-CZ 4.18Å; F100-F123 AromaticContact CG-CZ 3.87Å; F100-F123 HydrophobicContact CG-CZ 3.87Å; F100-F123 AromaticContact CZ-CZ 3.97Å; F100-F123 HydrophobicContact CZ-CZ 3.97Å; F100-F127 HydrophobicContact CE1-CB 3.95Å; F100-F127 AromaticContact CE1-CD1 3.69Å; F100-F127 HydrophobicContact CE1-CD1 3.69Å; F100-F127 HydrophobicContact CE1-CD2 4.16Å; F100-F127 HydrophobicContact CE1-CE1 4.19Å; F100-F127 AromaticContact CE1-CG 3.66Å; F100-F127 HydrophobicContact CE1-CG 3.66Å; F100-F127 HydrophobicContact CE2-CB 4.47Å; F100-F127 HydrophobicContact CZ-CB 3.55Å; F100-F127 AromaticContact CZ-CD1 3.84Å; F100-F127 HydrophobicContact CZ-CD1 3.84Å; F100-F127 AromaticContact CZ-CG 3.77Å; F100-F127 HydrophobicContact CZ-CG 3.77Å; F100-L128 HydrophobicContact CE2-CD2 4.14Å; F100-V135 HydrophobicContact CD2-CG1 3.77Å; F100-V135 HydrophobicContact CE2-CG1 3.73Å; F100-I136 PolarHBondContact N-O 3.38Å; F100-L137 HydrophobicContact CB-CB 4.17Å; F100-L137 HydrophobicContact CB-CD1 4.07Å; F100-L137 HydrophobicContact CB-CG 3.71Å; F100-L137 HydrophobicContact CD2-CD1 4.33Å; F100-L137 HydrophobicContact CG-CD1 4.31Å; F100-L137 HydrophobicContact CG-CG 4.44Å; F100-T138 PolarHBondContact O-N 3.24Å
101L96.8Very high94.8Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-101.329.2-165.7-58.8174.8000113.5L54 I55 A56 L99 V203 H205 I229 V304L54-L101 HydrophobicContact CB-CD1 4.19Å; I55-L101 PolarHBondContact O-N 2.79Å; A56-L101 HydrophobicContact CB-CB 3.99Å; A56-L101 HydrophobicContact CB-CD1 4.2Å; L99-L101 HydrophobicContact CB-CD2 4.24Å; L101-V203 HydrophobicContact CD2-CG1 3.53Å; L101-H205 WeakPolarHBondContact O-CA 3.33Å; L101-H205 PolarHBondContact O-ND1 3.02Å; L101-I229 HydrophobicContact CD1-CG2 3.67Å; L101-I229 HydrophobicContact CD2-CG2 3.93Å; L101-I229 HydrophobicContact CG-CG2 4.48Å; L101-V304 HydrophobicContact CD1-CB 3.62Å; L101-V304 HydrophobicContact CD1-CG1 4.12Å; L101-V304 HydrophobicContact CD1-CG2 3.39Å
102G95.4Very high94.8Very high1 Ų122.1 Ų22.11%0.0113%0.127CC..SBendtrans86.9176.9-17700000113.4D57 V104 T138 H205D57-G102 PolarHBondContact N-O 2.63Å; G102-V104 PolarHBondContact O-N 3.42Å; G102-T138 WeakPolarHBondContact CA-O 3.44Å; G102-T138 PolarHBondContact N-O 3.4Å; G102-H205 WeakPolarHBondContact CA-ND1 3.33Å
103D96.1Very high94.7Very high2 Ų225.6 Ų25.61%0.01114%0.14CC..  trans47.251.7-171.9-75.69000111.7D57 S58 H59 L105 G140 D141 N142 D143 H205D57-D103 CarbonylContact C-O 3.5Å; D57-D103 WeakPolarHBondContact CA-O 3.4Å; D57-D103 HydrophobicContact CB-CB 4.3Å; S58-D103 PolarHBondContact N-O 2.73Å; H59-D103 IonicContact CE1-OD2 3.55Å; H59-D103 PolarHBondContact N-O 2.83Å; H59-D103 IonicContact NE2-OD2 3.5Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-G140 VanDerWaalsContact OD1-C 3.3Å; D103-G140 VanDerWaalsContact OD1-CA 3.29Å; D103-G140 WeakPolarHBondContact OD1-CA 3.44Å; D103-D141 PolarHBondContact OD1-N 3.22Å; D103-D141 VanDerWaalsContact OD1-N 3.12Å; D103-N142 WeakPolarHBondContact OD1-CB 3.1Å; D103-N142 PolarHBondContact OD1-N 3.24Å; D103-N142 PolarHBondContact OD2-ND2 2.78Å; D103-D143 PolarHBondContact N-OD2 3.03Å; D103-H205 IonicContact OD1-CE1 2.83Å; D103-H205 IonicContact OD1-NE2 2.78Å; D103-H205 PolarHBondContact OD1-NE2 2.99Å; D103-H205 IonicContact OD2-CE1 3.05Å; D103-H205 IonicContact OD2-NE2 2.8Å
104V96.7Very high94.6Very high1 Ų133.4 Ų33.41%0.00618%0.177CC..  trans-65.3-43.6174.31680000109.2S58 I60 G102 F123 L137 D143 L163S58-V104 WeakPolarHBondContact OG-CA 3.21Å; S58-V104 PolarHBondContact OG-O 2.67Å; I60-V104 WeakPolarHBondContact CG1-O 3.36Å; I60-V104 PolarHBondContact N-O 3.37Å; G102-V104 PolarHBondContact O-N 3.42Å; V104-F123 HydrophobicContact CB-CD2 4.43Å; V104-F123 HydrophobicContact CB-CE2 4.23Å; V104-F123 HydrophobicContact CG1-CB 4.26Å; V104-F123 HydrophobicContact CG1-CD1 4.05Å; V104-F123 HydrophobicContact CG1-CD2 3.2Å; V104-F123 HydrophobicContact CG1-CE1 4.18Å; V104-F123 HydrophobicContact CG1-CE2 3.34Å; V104-F123 HydrophobicContact CG1-CG 3.56Å; V104-F123 HydrophobicContact CG1-CZ 3.84Å; V104-F123 HydrophobicContact CG2-CE2 4.07Å; V104-F123 HydrophobicContact CG2-CZ 4.17Å; V104-L137 HydrophobicContact CG2-CD1 4.09Å; V104-L137 HydrophobicContact CG2-CD2 4.34Å; V104-L137 HydrophobicContact CG2-CG 4.32Å; V104-D143 WeakPolarHBondContact CA-OD1 3.44Å; V104-D143 WeakPolarHBondContact CB-OD1 3.41Å; V104-D143 PolarHBondContact N-OD1 3.36Å; V104-D143 PolarHBondContact N-OD2 3.07Å; V104-D143 VanDerWaalsContact N-OD2 3.15Å; V104-L163 HydrophobicContact CG1-CD1 4.17Å
105L96.3Very high94.6Very high2 Ų233.1 Ų33.11%0.0118%0.175CC..BIsolated β-bridgetrans-112.2147-179-49.9178.4000110I60 D103 F116 A119 T120 N142 D143I60-L105 HydrophobicContact CB-CD2 4.08Å; D103-L105 VanDerWaalsContact C-N 3.31Å; L105-F116 HydrophobicContact CD1-CD2 3.73Å; L105-F116 HydrophobicContact CD1-CE2 3.37Å; L105-F116 HydrophobicContact CD1-CG 4.45Å; L105-F116 HydrophobicContact CD1-CZ 3.81Å; L105-A119 HydrophobicContact CD2-CB 3.94Å; L105-T120 HydrophobicContact CD1-CG2 3.72Å; L105-T120 HydrophobicContact CD2-CG2 4.13Å; L105-T120 HydrophobicContact CG-CG2 4.45Å; L105-N142 VanDerWaalsContact O-CB 3.3Å; L105-N142 WeakPolarHBondContact O-CB 3.32Å; L105-D143 PolarHBondContact N-OD1 2.8Å
106D91.4Very high94.6Very high22 Ų2232.7 Ų32.712%0.11817%0.172CC..SBendtrans-76.4-43.5-179.2-169.648.7000113.5H59 I60 N142H59-D106 HydrophobicContact CB-CB 4.05Å; H59-D106 IonicContact CE1-OD1 3.6Å; H59-D106 IonicContact CG-OD1 3.57Å; H59-D106 IonicContact ND1-OD1 3.5Å; H59-D106 PolarHBondContact ND1-OD1 3.2Å; I60-D106 PolarHBondContact O-N 3.36Å; I60-D106 VanDerWaalsContact O-N 3.16Å; D106-N142 WeakPolarHBondContact O-CB 3.13Å
107T90.8Very high94.7Very high41 Ų4134.3 Ų34.325%0.25218%0.183SC..SBendtrans-122.231.2-178.865.70000111.2D109 I110 A111T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 3.05Å; T107-I110 PolarHBondContact O-N 3.41Å; T107-A111 WeakPolarHBondContact O-CB 3.18Å; T107-A111 PolarHBondContact O-N 3.3Å
108G94Very high94.7Very high2 Ų239 Ų392%0.02120%0.204CC..THydrogen-bonded Turntrans-62.7-28.5-171.600000114F116 N142 D143 R158G108-F116 WeakPolarHBondContact O-CD2 3.12Å; G108-F116 VanDerWaalsContact O-CE2 3.24Å; G108-F116 WeakPolarHBondContact O-CE2 3.14Å; G108-N142 CarbonylContact C-O 3.51Å; G108-N142 VanDerWaalsContact C-O 3.27Å; G108-N142 WeakPolarHBondContact CA-O 3.42Å; G108-N142 PolarHBondContact N-O 3.21Å; G108-D143 CarbonylContact C-O 3.5Å; G108-R158 PolarHBondContact O-NE 3.06Å; G108-R158 PolarHBondContact O-NH2 2.89Å
109D93.8Very high94.7Very high23 Ų2339.3 Ų39.312%0.12321%0.207CC..THydrogen-bonded Turntrans-78.1-33.5-179.272.7-35.1000113.1T107 N142 N149 R158T107-D109 VanDerWaalsContact C-N 3.26Å; T107-D109 PolarHBondContact O-N 3.05Å; D109-N142 PolarHBondContact N-O 2.48Å; D109-N149 WeakPolarHBondContact OD2-CB 3.06Å; D109-N149 PolarHBondContact OD2-ND2 2.83Å; D109-R158 PolarHBondContact O-NH2 2.8Å
110I93.2Very high94.7Very high109 Ų10939.3 Ų39.356%0.55921%0.207SC*.THydrogen-bonded Turntrans-102.7-1818060.8174.1000114.5T107 N149T107-I110 PolarHBondContact O-N 3.41Å; I110-N149 WeakPolarHBondContact CG2-ND2 3.12Å
111A92.7Very high94.7Very high14 Ų1441.8 Ų41.812%0.11622%0.224CC..SBendtrans-56.7147.1-176.300000113.4T107 D115 F116 R158T107-A111 WeakPolarHBondContact O-CB 3.18Å; T107-A111 PolarHBondContact O-N 3.3Å; A111-D115 HydrophobicContact CB-CB 4.27Å; A111-F116 HydrophobicContact CB-CB 4.28Å; A111-R158 PolarHBondContact O-NH1 3.28Å
112L93.2Very high94.7Very high124 Ų12442.7 Ų42.765%0.64923%0.228SC*.  trans-62.6156.7165.8-62.4176.9000109.9E114 D115 F116L112-E114 PolarHBondContact O-N 2.86Å; L112-D115 PolarHBondContact O-N 2.89Å; L112-F116 VanDerWaalsContact O-CB 3.32Å; L112-F116 WeakPolarHBondContact O-CB 3.03Å; L112-F116 PolarHBondContact O-N 2.89Å
113N93.7Very high94.8Very high95 Ų9542.6 Ų42.651%0.50823%0.227SC..Hα-helixtrans-60.8-35.2-175.2-71.9-15.4000112.5T117N113-T117 WeakPolarHBondContact O-CB 3.45Å; N113-T117 PolarHBondContact O-N 2.88Å; N113-T117 PolarHBondContact O-OG1 3.39Å
114E93.3Very high94.8Very high165 Ų16546.7 Ų46.777%0.77124%0.242SC*.Hα-helixtrans-66.6-49.9179.1-67.8170.5-163.200111.1L112 F116 T117 H118L112-E114 PolarHBondContact O-N 2.86Å; E114-F116 VanDerWaalsContact C-N 3.33Å; E114-F116 PolarHBondContact O-N 3.46Å; E114-T117 PolarHBondContact O-N 3.32Å; E114-H118 WeakPolarHBondContact O-CB 3.35Å; E114-H118 PolarHBondContact O-N 3.33Å
115D93.7Very high94.7Very high53 Ų5353.7 Ų53.728%0.28327%0.273SS..Hα-helixtrans-61.8-41.4176.4-59.3-41.1000111.6A111 L112 H118 A119A111-D115 HydrophobicContact CB-CB 4.27Å; L112-D115 PolarHBondContact O-N 2.89Å; D115-H118 PolarHBondContact O-N 3.45Å; D115-A119 WeakPolarHBondContact O-CB 3.24Å; D115-A119 PolarHBondContact O-N 3.45Å
116F96Very high94.7Very high2 Ų253.8 Ų53.81%0.00927%0.273CS..Hα-helixtrans-61.3-47.2176.3-173.8-84.4000111.8L105 G108 A111 L112 E114 H118 A119 T120 R158 F159 N162L105-F116 HydrophobicContact CD1-CD2 3.73Å; L105-F116 HydrophobicContact CD1-CE2 3.37Å; L105-F116 HydrophobicContact CD1-CG 4.45Å; L105-F116 HydrophobicContact CD1-CZ 3.81Å; G108-F116 WeakPolarHBondContact O-CD2 3.12Å; G108-F116 VanDerWaalsContact O-CE2 3.24Å; G108-F116 WeakPolarHBondContact O-CE2 3.14Å; A111-F116 HydrophobicContact CB-CB 4.28Å; L112-F116 VanDerWaalsContact O-CB 3.32Å; L112-F116 WeakPolarHBondContact O-CB 3.03Å; L112-F116 PolarHBondContact O-N 2.89Å; E114-F116 VanDerWaalsContact C-N 3.33Å; E114-F116 PolarHBondContact O-N 3.46Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 3.37Å; F116-A119 PolarHBondContact O-N 3.36Å; F116-T120 HydrophobicContact CD1-CG2 4.05Å; F116-T120 HydrophobicContact CE1-CG2 3.66Å; F116-T120 HydrophobicContact CZ-CG2 4.04Å; F116-T120 WeakPolarHBondContact O-CB 2.94Å; F116-T120 WeakPolarHBondContact O-CG2 3.26Å; F116-T120 PolarHBondContact O-N 2.58Å; F116-T120 PolarHBondContact O-OG1 3.39Å; F116-R158 HydrophobicContact CD1-CB 4.39Å; F116-R158 HydrophobicContact CD1-CG 4.17Å; F116-R158 HydrophobicContact CD2-CG 4.49Å; F116-R158 HydrophobicContact CE1-CB 4.09Å; F116-R158 HydrophobicContact CE1-CG 3.78Å; F116-R158 HydrophobicContact CE2-CG 4.12Å; F116-R158 HydrophobicContact CZ-CG 3.76Å; F116-F159 HydrophobicContact CZ-CB 4.17Å; F116-F159 HydrophobicContact CZ-CD2 4.03Å; F116-N162 HydrophobicContact CE1-CB 4.07Å
117T96.1Very high95Very high62 Ų6252.9 Ų52.938%0.3827%0.269SS..Hα-helixtrans-65.6-35.8176.9-71.80000111.3N113 E114 T120 S121 N162N113-T117 WeakPolarHBondContact O-CB 3.45Å; N113-T117 PolarHBondContact O-N 2.88Å; N113-T117 PolarHBondContact O-OG1 3.39Å; E114-T117 PolarHBondContact O-N 3.32Å; T117-T120 WeakPolarHBondContact CA-OG1 3.26Å; T117-T120 PolarHBondContact O-OG1 3.07Å; T117-T120 VanDerWaalsContact O-OG1 3.07Å; T117-S121 VanDerWaalsContact O-CB 3.3Å; T117-S121 WeakPolarHBondContact O-CB 3.3Å; T117-S121 PolarHBondContact O-N 3.38Å; T117-N162 PolarHBondContact OG1-OD1 3.37Å
118H95.5Very high95.1Very high99 Ų9953.1 Ų53.146%0.45827%0.268SS..Hα-helixtrans-64.6-51.1174.7-174.273.5000112E114 D115 F116 T120 S121 R122E114-H118 WeakPolarHBondContact O-CB 3.35Å; E114-H118 PolarHBondContact O-N 3.33Å; D115-H118 PolarHBondContact O-N 3.45Å; F116-H118 VanDerWaalsContact C-N 3.3Å; F116-H118 PolarHBondContact O-N 3.37Å; H118-T120 PolarHBondContact O-N 3.13Å; H118-S121 VanDerWaalsContact O-CB 3.3Å; H118-S121 WeakPolarHBondContact O-CB 3.18Å; H118-S121 PolarHBondContact O-N 3.49Å; H118-S121 VanDerWaalsContact O-N 3.12Å; H118-R122 WeakPolarHBondContact NE2-CD 3.33Å; H118-R122 PolarHBondContact O-N 3.49Å
119A96.3Very high94.7Very high7 Ų755.3 Ų55.36%0.05828%0.283CS..Hα-helixtrans-62.3-44.5179.200000112.2I60 L105 D115 F116 S121 R122 F123I60-A119 HydrophobicContact CG2-CB 4.24Å; L105-A119 HydrophobicContact CD2-CB 3.94Å; D115-A119 WeakPolarHBondContact O-CB 3.24Å; D115-A119 PolarHBondContact O-N 3.45Å; F116-A119 PolarHBondContact O-N 3.36Å; A119-S121 VanDerWaalsContact C-N 3.29Å; A119-S121 PolarHBondContact O-N 2.97Å; A119-R122 WeakPolarHBondContact O-CB 3.3Å; A119-R122 PolarHBondContact O-N 2.74Å; A119-F123 PolarHBondContact O-N 2.77Å
120T97Very high94.3Very high0 Ų057.8 Ų57.80%029%0.294CS..Hα-helixtrans-64-33.3173.851.30000112.6L105 F116 T117 H118 F123 R124 N162 L163L105-T120 HydrophobicContact CD1-CG2 3.72Å; L105-T120 HydrophobicContact CD2-CG2 4.13Å; L105-T120 HydrophobicContact CG-CG2 4.45Å; F116-T120 HydrophobicContact CD1-CG2 4.05Å; F116-T120 HydrophobicContact CE1-CG2 3.66Å; F116-T120 HydrophobicContact CZ-CG2 4.04Å; F116-T120 WeakPolarHBondContact O-CB 2.94Å; F116-T120 WeakPolarHBondContact O-CG2 3.26Å; F116-T120 PolarHBondContact O-N 2.58Å; F116-T120 PolarHBondContact O-OG1 3.39Å; T117-T120 WeakPolarHBondContact CA-OG1 3.26Å; T117-T120 PolarHBondContact O-OG1 3.07Å; T117-T120 VanDerWaalsContact O-OG1 3.07Å; H118-T120 PolarHBondContact O-N 3.13Å; T120-F123 WeakPolarHBondContact O-CB 3.27Å; T120-F123 PolarHBondContact O-N 2.96Å; T120-R124 VanDerWaalsContact O-CG 3.27Å; T120-R124 WeakPolarHBondContact O-CG 3.47Å; T120-R124 PolarHBondContact O-N 2.9Å; T120-N162 HydrophobicContact CG2-CB 3.97Å; T120-N162 WeakPolarHBondContact OG1-CB 3Å; T120-L163 HydrophobicContact CG2-CD1 4.32Å; T120-L163 HydrophobicContact CG2-CD2 4.28Å; T120-L163 HydrophobicContact CG2-CG 4.09Å
121S96.5Very high93.4Very high53 Ų5362 Ų6237%0.37131%0.308SS..Hα-helixtrans-62.3-43.4172.9-163.60000112.1T117 H118 A119 R124 K125T117-S121 VanDerWaalsContact O-CB 3.3Å; T117-S121 WeakPolarHBondContact O-CB 3.3Å; T117-S121 PolarHBondContact O-N 3.38Å; H118-S121 VanDerWaalsContact O-CB 3.3Å; H118-S121 WeakPolarHBondContact O-CB 3.18Å; H118-S121 PolarHBondContact O-N 3.49Å; H118-S121 VanDerWaalsContact O-N 3.12Å; A119-S121 VanDerWaalsContact C-N 3.29Å; A119-S121 PolarHBondContact O-N 2.97Å; S121-R124 PolarHBondContact O-N 3.44Å; S121-K125 PolarHBondContact O-N 2.7Å; S121-K125 VanDerWaalsContact O-N 3.1Å
122R96.9Very high93.1Very high19 Ų1969 Ų697%0.07234%0.344CS..Hα-helixtrans-62.4-47.4174.4-73169.151.2-143.4-11.1111.7I60 E61 Q75 D79 H118 A119 R124 K125 I126I60-R122 HydrophobicContact CG2-CB 4.23Å; E61-R122 PolarHBondContact O-NH1 2.78Å; Q75-R122 VanDerWaalsContact CB-CZ 3.41Å; Q75-R122 PolarHBondContact O-NH2 3.26Å; D79-R122 IonicContact OD1-CZ 2.9Å; D79-R122 IonicContact OD1-NE 3.7Å; D79-R122 PolarHBondContact OD1-NE 2.9Å; D79-R122 IonicContact OD1-NH2 3.94Å; D79-R122 PolarHBondContact OD1-NH2 2.88Å; D79-R122 IonicContact OD2-CZ 2.74Å; D79-R122 IonicContact OD2-NE 2.94Å; D79-R122 PolarHBondContact OD2-NE 2.87Å; D79-R122 IonicContact OD2-NH2 3.64Å; H118-R122 WeakPolarHBondContact NE2-CD 3.33Å; H118-R122 PolarHBondContact O-N 3.49Å; A119-R122 WeakPolarHBondContact O-CB 3.3Å; A119-R122 PolarHBondContact O-N 2.74Å; R122-R124 VanDerWaalsContact C-N 3.31Å; R122-R124 PolarHBondContact O-N 3.31Å; R122-K125 WeakPolarHBondContact O-CB 3.48Å; R122-K125 PolarHBondContact O-N 2.84Å; R122-I126 WeakPolarHBondContact O-CG1 3.35Å; R122-I126 PolarHBondContact O-N 2.87Å
123F97.5Very high93.1Very high0 Ų064.3 Ų64.30%032%0.319CS..Hα-helixtrans-50.9-49.6173.2178.9-96.2000112.2I60 F100 V104 A119 T120 K125 I126 F127 L128 L137 L163I60-F123 HydrophobicContact CG1-CB 4.01Å; I60-F123 HydrophobicContact CG1-CD2 3.93Å; I60-F123 HydrophobicContact CG1-CG 4.48Å; F100-F123 AromaticContact CD1-CE2 3.86Å; F100-F123 HydrophobicContact CD1-CE2 3.86Å; F100-F123 AromaticContact CD1-CZ 3.56Å; F100-F123 HydrophobicContact CD1-CZ 3.56Å; F100-F123 HydrophobicContact CD2-CZ 4.14Å; F100-F123 AromaticContact CE1-CE2 3.85Å; F100-F123 HydrophobicContact CE1-CE2 3.85Å; F100-F123 AromaticContact CE1-CZ 3.61Å; F100-F123 HydrophobicContact CE1-CZ 3.61Å; F100-F123 HydrophobicContact CE2-CZ 4.18Å; F100-F123 AromaticContact CG-CZ 3.87Å; F100-F123 HydrophobicContact CG-CZ 3.87Å; F100-F123 AromaticContact CZ-CZ 3.97Å; F100-F123 HydrophobicContact CZ-CZ 3.97Å; V104-F123 HydrophobicContact CB-CD2 4.43Å; V104-F123 HydrophobicContact CB-CE2 4.23Å; V104-F123 HydrophobicContact CG1-CB 4.26Å; V104-F123 HydrophobicContact CG1-CD1 4.05Å; V104-F123 HydrophobicContact CG1-CD2 3.2Å; V104-F123 HydrophobicContact CG1-CE1 4.18Å; V104-F123 HydrophobicContact CG1-CE2 3.34Å; V104-F123 HydrophobicContact CG1-CG 3.56Å; V104-F123 HydrophobicContact CG1-CZ 3.84Å; V104-F123 HydrophobicContact CG2-CE2 4.07Å; V104-F123 HydrophobicContact CG2-CZ 4.17Å; A119-F123 PolarHBondContact O-N 2.77Å; T120-F123 WeakPolarHBondContact O-CB 3.27Å; T120-F123 PolarHBondContact O-N 2.96Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 2.9Å; F123-I126 PolarHBondContact O-N 3.49Å; F123-F127 AromaticContact CD2-CD2 3.36Å; F123-F127 HydrophobicContact CD2-CD2 3.36Å; F123-F127 AromaticContact CD2-CE2 3.82Å; F123-F127 HydrophobicContact CD2-CE2 3.82Å; F123-F127 HydrophobicContact CD2-CG 4.4Å; F123-F127 HydrophobicContact CE1-CB 4.41Å; F123-F127 HydrophobicContact CE2-CB 4.32Å; F123-F127 AromaticContact CE2-CD2 3.3Å; F123-F127 HydrophobicContact CE2-CD2 3.3Å; F123-F127 AromaticContact CE2-CE2 3.8Å; F123-F127 HydrophobicContact CE2-CE2 3.8Å; F123-F127 HydrophobicContact CE2-CG 4.03Å; F123-F127 HydrophobicContact CG-CD2 4.14Å; F123-F127 HydrophobicContact CZ-CB 4.18Å; F123-F127 HydrophobicContact CZ-CD2 4.01Å; F123-F127 HydrophobicContact CZ-CG 4.34Å; F123-F127 PolarHBondContact O-N 2.82Å; F123-L128 HydrophobicContact CE1-CD1 4.35Å; F123-L128 HydrophobicContact CE1-CD2 4.28Å; F123-L128 HydrophobicContact CE1-CG 4.19Å; F123-L137 HydrophobicContact CE1-CD1 3.96Å; F123-L137 HydrophobicContact CZ-CD1 4.02Å; F123-L163 HydrophobicContact CD1-CD1 4.46Å; F123-L163 HydrophobicContact CD1-CD2 3.54Å; F123-L163 HydrophobicContact CE1-CD2 4.09Å; F123-L163 HydrophobicContact CG-CD2 4.44Å
124R96.2Very high93.1Very high87 Ų8760.3 Ų60.333%0.32830%0.297SS..Hα-helixtrans-60.7-40179.4-67.5-177.9-60.5-167.36.1112.1T120 S121 R122 I126 L128 N162 L163T120-R124 VanDerWaalsContact O-CG 3.27Å; T120-R124 WeakPolarHBondContact O-CG 3.47Å; T120-R124 PolarHBondContact O-N 2.9Å; S121-R124 PolarHBondContact O-N 3.44Å; R122-R124 VanDerWaalsContact C-N 3.31Å; R122-R124 PolarHBondContact O-N 3.31Å; R124-I126 VanDerWaalsContact C-N 3.3Å; R124-I126 PolarHBondContact O-N 3.28Å; R124-L128 HydrophobicContact CB-CB 4.46Å; R124-L128 HydrophobicContact CB-CD1 4.42Å; R124-L128 HydrophobicContact CG-CD1 3.89Å; R124-L128 CarbonylContact O-C 3.55Å; R124-L128 WeakPolarHBondContact O-CA 3.27Å; R124-L128 WeakPolarHBondContact O-CB 3.47Å; R124-L128 PolarHBondContact O-N 3.25Å; R124-N162 PolarHBondContact NH1-O 3.18Å; R124-N162 VanDerWaalsContact NH1-O 3.14Å; R124-L163 HydrophobicContact CG-CD2 3.85Å
125K95.7Very high93.1Very high148 Ų14853.4 Ų53.464%0.64327%0.266SS*.Hα-helixtrans-65.4-33178.7-172.7-172.9173.8-167.90112.4R83 S121 R122 F123R83-K125 PolarHBondContact NH1-O 3.26Å; S121-K125 PolarHBondContact O-N 2.7Å; S121-K125 VanDerWaalsContact O-N 3.1Å; R122-K125 WeakPolarHBondContact O-CB 3.48Å; R122-K125 PolarHBondContact O-N 2.84Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 2.9Å
126I96.4Very high93.1Very high4 Ų451 Ų512%0.02125%0.253CS..Hα-helixtrans-78.6-51.1-179.6-64.6162.1000110.6I60 D79 L82 R83 F86 R122 F123 R124I60-I126 HydrophobicContact CD1-CD1 3.53Å; D79-I126 HydrophobicContact CB-CD1 3.81Å; D79-I126 HydrophobicContact CB-CG1 4.29Å; D79-I126 WeakPolarHBondContact OD1-CD1 3.14Å; L82-I126 HydrophobicContact CB-CG2 3.95Å; R83-I126 HydrophobicContact CB-CG1 4.49Å; R83-I126 HydrophobicContact CB-CG2 4.07Å; F86-I126 WeakPolarHBondContact CD1-O 3.07Å; R122-I126 WeakPolarHBondContact O-CG1 3.35Å; R122-I126 PolarHBondContact O-N 2.87Å; F123-I126 PolarHBondContact O-N 3.49Å; R124-I126 VanDerWaalsContact C-N 3.3Å; R124-I126 PolarHBondContact O-N 3.28Å
127F96.1Very high93Very high4 Ų450.9 Ų50.92%0.01825%0.253CS..Hα-helixtrans-109.5-24.8-162-71.1-65.7000114.8I55 I60 L82 F86 F100 F123I55-F127 HydrophobicContact CG2-CE1 4.18Å; I55-F127 HydrophobicContact CG2-CZ 4.32Å; I60-F127 HydrophobicContact CD1-CE2 4.22Å; L82-F127 HydrophobicContact CB-CZ 4.08Å; L82-F127 HydrophobicContact CD1-CE2 4.45Å; L82-F127 HydrophobicContact CD1-CZ 4.39Å; L82-F127 HydrophobicContact CD2-CZ 4.26Å; L82-F127 HydrophobicContact CG-CZ 4.5Å; F86-F127 HydrophobicContact CB-CD1 4.02Å; F86-F127 HydrophobicContact CB-CE1 3.82Å; F86-F127 AromaticContact CD1-CD1 3.87Å; F86-F127 HydrophobicContact CD1-CD1 3.87Å; F86-F127 AromaticContact CD2-CD1 3.6Å; F86-F127 HydrophobicContact CD2-CD1 3.6Å; F86-F127 AromaticContact CD2-CE1 3.91Å; F86-F127 HydrophobicContact CD2-CE1 3.91Å; F86-F127 HydrophobicContact CE1-CD1 4.23Å; F86-F127 WeakPolarHBondContact CE1-O 3.1Å; F86-F127 AromaticContact CE2-CD1 3.98Å; F86-F127 HydrophobicContact CE2-CD1 3.98Å; F86-F127 AromaticContact CG-CD1 3.53Å; F86-F127 HydrophobicContact CG-CD1 3.53Å; F86-F127 AromaticContact CG-CE1 3.83Å; F86-F127 HydrophobicContact CG-CE1 3.83Å; F86-F127 HydrophobicContact CZ-CD1 4.27Å; F86-F127 WeakPolarHBondContact CZ-O 3.43Å; F100-F127 HydrophobicContact CE1-CB 3.95Å; F100-F127 AromaticContact CE1-CD1 3.69Å; F100-F127 HydrophobicContact CE1-CD1 3.69Å; F100-F127 HydrophobicContact CE1-CD2 4.16Å; F100-F127 HydrophobicContact CE1-CE1 4.19Å; F100-F127 AromaticContact CE1-CG 3.66Å; F100-F127 HydrophobicContact CE1-CG 3.66Å; F100-F127 HydrophobicContact CE2-CB 4.47Å; F100-F127 HydrophobicContact CZ-CB 3.55Å; F100-F127 AromaticContact CZ-CD1 3.84Å; F100-F127 HydrophobicContact CZ-CD1 3.84Å; F100-F127 AromaticContact CZ-CG 3.77Å; F100-F127 HydrophobicContact CZ-CG 3.77Å; F123-F127 AromaticContact CD2-CD2 3.36Å; F123-F127 HydrophobicContact CD2-CD2 3.36Å; F123-F127 AromaticContact CD2-CE2 3.82Å; F123-F127 HydrophobicContact CD2-CE2 3.82Å; F123-F127 HydrophobicContact CD2-CG 4.4Å; F123-F127 HydrophobicContact CE1-CB 4.41Å; F123-F127 HydrophobicContact CE2-CB 4.32Å; F123-F127 AromaticContact CE2-CD2 3.3Å; F123-F127 HydrophobicContact CE2-CD2 3.3Å; F123-F127 AromaticContact CE2-CE2 3.8Å; F123-F127 HydrophobicContact CE2-CE2 3.8Å; F123-F127 HydrophobicContact CE2-CG 4.03Å; F123-F127 HydrophobicContact CG-CD2 4.14Å; F123-F127 HydrophobicContact CZ-CB 4.18Å; F123-F127 HydrophobicContact CZ-CD2 4.01Å; F123-F127 HydrophobicContact CZ-CG 4.34Å; F123-F127 PolarHBondContact O-N 2.82Å
128L93.3Very high92.8Very high45 Ų4548 Ų4824%0.23624%0.235CC..SBendtrans-108.118.4-173.6-50.5-169.2000112.9F100 F123 R124 V135 V165F100-L128 HydrophobicContact CE2-CD2 4.14Å; F123-L128 HydrophobicContact CE1-CD1 4.35Å; F123-L128 HydrophobicContact CE1-CD2 4.28Å; F123-L128 HydrophobicContact CE1-CG 4.19Å; R124-L128 HydrophobicContact CB-CB 4.46Å; R124-L128 HydrophobicContact CB-CD1 4.42Å; R124-L128 HydrophobicContact CG-CD1 3.89Å; R124-L128 CarbonylContact O-C 3.55Å; R124-L128 WeakPolarHBondContact O-CA 3.27Å; R124-L128 WeakPolarHBondContact O-CB 3.47Å; R124-L128 PolarHBondContact O-N 3.25Å; L128-V135 HydrophobicContact CD2-CG1 3.9Å; L128-V135 HydrophobicContact CD2-CG2 4.06Å; L128-V165 HydrophobicContact CD1-CG1 3.54Å; L128-V165 HydrophobicContact CD2-CG1 4.25Å
129S86.3Confident92.7Very high48 Ų4843.2 Ų43.234%0.33621%0.213SC..  trans-75.7-25.1174.658.10000113.2K131S129-K131 PolarHBondContact O-N 3.24Å
130E84.1Confident92.6Very high75 Ų7542.9 Ų42.935%0.3521%0.21SC..  trans-82.5112.8-177.8-59.5-52.3124.100110.9F86 L87 V90 L133F86-E130 HydrophobicContact CE1-CG 4.3Å; L87-E130 HydrophobicContact CD2-CG 4.3Å; L87-E130 WeakPolarHBondContact CD2-OE1 3.27Å; V90-E130 HydrophobicContact CG1-CG 4.46Å; E130-L133 HydrophobicContact CB-CD1 3.9Å; E130-L133 HydrophobicContact CB-CG 4.18Å; E130-L133 HydrophobicContact CG-CD1 4.46Å
131K75Confident92.5Very high197 Ų19743.5 Ų43.586%0.85721%0.213SC*.THydrogen-bonded Turntrans-81-21.2-169.5-65.5-176.4-179.11780114.8S129S129-K131 PolarHBondContact O-N 3.24Å
132D86.9Confident92.4Very high163 Ų16343 Ų4387%0.87221%0.206SC*.THydrogen-bonded Turntrans-91.8-5.4-172.2-62-30.9000113.3
133L92.6Very high92.4Very high24 Ų2442 Ų4213%0.12620%0.203CC..SBendtrans-86.7132.6177.4-60-179.5000110.6F86 V90 S95 E130F86-L133 HydrophobicContact CZ-CD1 4.3Å; V90-L133 HydrophobicContact CG1-CD1 4.12Å; V90-L133 HydrophobicContact CG2-CD1 3.84Å; S95-L133 WeakPolarHBondContact O-CD2 3.45Å; E130-L133 HydrophobicContact CB-CD1 3.9Å; E130-L133 HydrophobicContact CB-CG 4.18Å; E130-L133 HydrophobicContact CG-CD1 4.46Å
134F93.4Very high92.2Very high12 Ų1242 Ų425%0.05320%0.203CC..EExtended strand (participates in β ladder)trans-72.3139.1159.774.6-98.1000109.2I52 N96 G97 V98 I136 Y170 Y172 F177I52-F134 HydrophobicContact CD1-CZ 4.27Å; I52-F134 HydrophobicContact CG1-CZ 4.26Å; N96-F134 HydrophobicContact CB-CE1 4.11Å; N96-F134 WeakPolarHBondContact O-CD1 3.45Å; N96-F134 PolarHBondContact O-N 2.94Å; G97-F134 CarbonylContact C-O 3.58Å; G97-F134 WeakPolarHBondContact CA-O 3.21Å; V98-F134 PolarHBondContact N-O 3.22Å; F134-I136 HydrophobicContact CD2-CG1 4.16Å; F134-I136 HydrophobicContact CE2-CD1 4.29Å; F134-I136 HydrophobicContact CE2-CG1 4.3Å; F134-Y170 HydrophobicContact CB-CE1 3.94Å; F134-Y170 HydrophobicContact CD1-CE1 4.39Å; F134-Y170 HydrophobicContact CD2-CD1 4.08Å; F134-Y170 AromaticContact CD2-CE1 3.56Å; F134-Y170 HydrophobicContact CD2-CE1 3.56Å; F134-Y170 HydrophobicContact CE2-CD1 4.44Å; F134-Y170 HydrophobicContact CE2-CE1 4.15Å; F134-Y170 AromaticContact CG-CE1 3.71Å; F134-Y170 HydrophobicContact CG-CE1 3.71Å; F134-Y172 HydrophobicContact CD1-CD1 4.35Å; F134-Y172 AromaticContact CD1-CD2 3.61Å; F134-Y172 HydrophobicContact CD1-CD2 3.61Å; F134-Y172 AromaticContact CD1-CE2 3.82Å; F134-Y172 HydrophobicContact CD1-CE2 3.82Å; F134-Y172 AromaticContact CD1-CG 3.89Å; F134-Y172 HydrophobicContact CD1-CG 3.89Å; F134-Y172 AromaticContact CE1-CD1 3.71Å; F134-Y172 HydrophobicContact CE1-CD1 3.71Å; F134-Y172 AromaticContact CE1-CD2 3.83Å; F134-Y172 HydrophobicContact CE1-CD2 3.83Å; F134-Y172 HydrophobicContact CE1-CE1 4.02Å; F134-Y172 HydrophobicContact CE1-CE2 4.13Å; F134-Y172 AromaticContact CE1-CG 3.61Å; F134-Y172 HydrophobicContact CE1-CG 3.61Å; F134-Y172 HydrophobicContact CG-CD2 4.43Å; F134-Y172 HydrophobicContact CZ-CD1 4.42Å; F134-Y172 HydrophobicContact CZ-CG 4.28Å; F134-F177 HydrophobicContact CE2-CE2 4.17Å; F134-F177 HydrophobicContact CE2-CZ 4.46Å; F134-F177 HydrophobicContact CZ-CE2 4.21Å; F134-F177 HydrophobicContact CZ-CZ 4.33Å
135V94Very high92Very high20 Ų2038 Ų3812%0.12119%0.188CC..EExtended strand (participates in β ladder)trans-120.2126.8-179.2-178.30000109V98 F100 L128 V165 K166V98-V135 HydrophobicContact CG1-CB 4.26Å; V98-V135 HydrophobicContact CG1-CG1 4.18Å; V98-V135 HydrophobicContact CG1-CG2 3.74Å; F100-V135 HydrophobicContact CD2-CG1 3.77Å; F100-V135 HydrophobicContact CE2-CG1 3.73Å; L128-V135 HydrophobicContact CD2-CG1 3.9Å; L128-V135 HydrophobicContact CD2-CG2 4.06Å; V135-V165 HydrophobicContact CB-CB 4.41Å; V135-V165 HydrophobicContact CB-CG1 4.32Å; V135-V165 HydrophobicContact CG1-CB 4.06Å; V135-V165 HydrophobicContact CG1-CG1 3.92Å; V135-V165 HydrophobicContact CG1-CG2 4.47Å; V135-K166 WeakPolarHBondContact O-CB 3.38Å; V135-K166 PolarHBondContact O-N 2.98Å
136I93Very high91.6Very high2 Ų233 Ų331%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-117.5138.8165.9-47.4-178.9000107.5V98 L99 F100 F134 Y170 F177V98-I136 PolarHBondContact O-N 2.84Å; L99-I136 WeakPolarHBondContact CA-O 3.37Å; L99-I136 HydrophobicContact CD2-CB 3.52Å; L99-I136 HydrophobicContact CD2-CD1 3.53Å; L99-I136 HydrophobicContact CD2-CG1 3.69Å; L99-I136 HydrophobicContact CD2-CG2 4.37Å; F100-I136 PolarHBondContact N-O 3.38Å; F134-I136 HydrophobicContact CD2-CG1 4.16Å; F134-I136 HydrophobicContact CE2-CD1 4.29Å; F134-I136 HydrophobicContact CE2-CG1 4.3Å; I136-Y170 HydrophobicContact CD1-CD1 3.76Å; I136-Y170 HydrophobicContact CD1-CG 4.27Å; I136-Y170 HydrophobicContact CG1-CD1 4.15Å; I136-F177 HydrophobicContact CD1-CB 3.42Å; I136-F177 VanDerWaalsContact CD1-CB 3.42Å; I136-F177 HydrophobicContact CD1-CD1 4Å; I136-F177 HydrophobicContact CD1-CD2 3.46Å; I136-F177 VanDerWaalsContact CD1-CD2 3.46Å; I136-F177 HydrophobicContact CD1-CE2 4.25Å; I136-F177 HydrophobicContact CD1-CG 3.32Å
137L93.4Very high90.9Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-133132.2-179.2-168.2154.2000109.2F100 V104 F123 F159 L163 V165 K166 Y167F100-L137 HydrophobicContact CB-CB 4.17Å; F100-L137 HydrophobicContact CB-CD1 4.07Å; F100-L137 HydrophobicContact CB-CG 3.71Å; F100-L137 HydrophobicContact CD2-CD1 4.33Å; F100-L137 HydrophobicContact CG-CD1 4.31Å; F100-L137 HydrophobicContact CG-CG 4.44Å; V104-L137 HydrophobicContact CG2-CD1 4.09Å; V104-L137 HydrophobicContact CG2-CD2 4.34Å; V104-L137 HydrophobicContact CG2-CG 4.32Å; F123-L137 HydrophobicContact CE1-CD1 3.96Å; F123-L137 HydrophobicContact CZ-CD1 4.02Å; L137-F159 HydrophobicContact CD2-CE1 3.29Å; L137-F159 HydrophobicContact CD2-CE2 4.48Å; L137-F159 HydrophobicContact CD2-CZ 3.23Å; L137-L163 HydrophobicContact CD1-CD1 4.02Å; L137-V165 HydrophobicContact CB-CG2 3.43Å; L137-V165 VanDerWaalsContact CB-CG2 3.43Å; L137-V165 HydrophobicContact CD1-CG2 3.95Å; L137-V165 HydrophobicContact CG-CG2 4.25Å; L137-K166 PolarHBondContact N-O 3.17Å; L137-Y167 HydrophobicContact CB-CE1 4.02Å; L137-Y167 HydrophobicContact CD2-CE1 3.65Å; L137-Y167 HydrophobicContact CG-CE1 4.41Å; L137-Y167 WeakPolarHBondContact O-CD1 3.5Å; L137-Y167 WeakPolarHBondContact O-CE1 3.32Å
138T92.5Very high90.4Very high0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-109.3140.9162.9-164.80000108.4F100 G102 S179 V203 H205F100-T138 PolarHBondContact O-N 3.24Å; G102-T138 WeakPolarHBondContact CA-O 3.44Å; G102-T138 PolarHBondContact N-O 3.4Å; T138-S179 PolarHBondContact OG1-OG 2.8Å; T138-V203 HydrophobicContact CG2-CG1 4.36Å; T138-H205 HydrophobicContact CG2-CB 4.38Å
139P94Very high90.3Very high0 Ų043.4 Ų43.40%025%0.251CS..  trans-74151.8169.228.6-31.2000111.3D143 I144 F159 Y181 H205P139-D143 WeakPolarHBondContact CA-OD2 3.13Å; P139-D143 HydrophobicContact CB-CB 4.07Å; P139-I144 HydrophobicContact CB-CB 4.48Å; P139-I144 HydrophobicContact CB-CD1 3.66Å; P139-I144 HydrophobicContact CB-CG1 3.85Å; P139-I144 HydrophobicContact CB-CG2 3.85Å; P139-I144 HydrophobicContact CG-CD1 3.47Å; P139-I144 VanDerWaalsContact CG-CD1 3.47Å; P139-I144 HydrophobicContact CG-CG1 4.24Å; P139-F159 HydrophobicContact CB-CD1 4.03Å; P139-F159 HydrophobicContact CB-CE1 3.51Å; P139-F159 HydrophobicContact CB-CE2 4.31Å; P139-F159 HydrophobicContact CB-CZ 3.65Å; P139-F159 HydrophobicContact CG-CD1 4.48Å; P139-F159 HydrophobicContact CG-CE1 4.1Å; P139-Y181 HydrophobicContact CG-CD1 4.19Å; P139-Y181 HydrophobicContact CG-CD2 3.44Å; P139-Y181 VanDerWaalsContact CG-CD2 3.44Å; P139-Y181 HydrophobicContact CG-CE2 3.95Å; P139-Y181 HydrophobicContact CG-CG 3.55Å; P139-H205 WeakPolarHBondContact O-CB 3.45Å
140G94.5Very high90.5Very high0 Ų045.8 Ų45.80%027%0.266CS..  trans-105.4-174.3165.600000112.9D103 D143 I144 H205D103-G140 VanDerWaalsContact OD1-C 3.3Å; D103-G140 VanDerWaalsContact OD1-CA 3.29Å; D103-G140 WeakPolarHBondContact OD1-CA 3.44Å; G140-D143 PolarHBondContact N-OD2 2.94Å; G140-D143 WeakPolarHBondContact O-CB 3.1Å; G140-D143 PolarHBondContact O-N 2.83Å; G140-I144 WeakPolarHBondContact O-CG1 3.28Å; G140-I144 PolarHBondContact O-N 3.44Å; G140-H205 WeakPolarHBondContact CA-CD2 3.28Å
141D94.4Very high90.9Very high12 Ų1245 Ų456%0.06427%0.265CS..Hα-helixtrans-70.4-32.9-177.649.9-66.1000113.2D103 D143 G145 E147 H205 F206 H232D103-D141 PolarHBondContact OD1-N 3.22Å; D103-D141 VanDerWaalsContact OD1-N 3.12Å; D141-D143 PolarHBondContact O-N 2.65Å; D141-G145 WeakPolarHBondContact CA-O 3.45Å; D141-G145 CarbonylContact O-C 3.56Å; D141-G145 WeakPolarHBondContact O-CA 3.03Å; D141-G145 PolarHBondContact O-N 3.32Å; D141-E147 HydrophobicContact CB-CB 3.91Å; D141-E147 WeakPolarHBondContact OD2-CB 3.47Å; D141-H205 IonicContact OD1-CD2 3.14Å; D141-H205 PolarHBondContact OD1-CD2 2.76Å; D141-H205 VanDerWaalsContact OD1-CD2 3.25Å; D141-H205 IonicContact OD1-NE2 3.63Å; D141-H205 PolarHBondContact OD1-NE2 2.94Å; D141-F206 HydrophobicContact CB-CZ 3.99Å; D141-H232 IonicContact OD1-CE1 3.66Å; D141-H232 IonicContact OD1-ND1 2.93Å; D141-H232 PolarHBondContact OD1-ND1 3.46Å
142N95Very high91.6Very high42 Ų4238.2 Ų38.223%0.22524%0.241CC..Hα-helixtrans-72.8-14.5174.6-70.5-41.3000112.8H59 D103 L105 D106 G108 D109H59-N142 PolarHBondContact CE1-ND2 3.19Å; H59-N142 VanDerWaalsContact CE1-ND2 3.34Å; D103-N142 WeakPolarHBondContact OD1-CB 3.1Å; D103-N142 PolarHBondContact OD1-N 3.24Å; D103-N142 PolarHBondContact OD2-ND2 2.78Å; L105-N142 VanDerWaalsContact O-CB 3.3Å; L105-N142 WeakPolarHBondContact O-CB 3.32Å; D106-N142 WeakPolarHBondContact O-CB 3.13Å; G108-N142 CarbonylContact C-O 3.51Å; G108-N142 VanDerWaalsContact C-O 3.27Å; G108-N142 WeakPolarHBondContact CA-O 3.42Å; G108-N142 PolarHBondContact N-O 3.21Å; D109-N142 PolarHBondContact N-O 2.48Å
143D95.6Very high91.8Very high0 Ų038.9 Ų38.90%024%0.236CC..Hα-helixtrans-85.6-45.1177.2-65.8-45.6000112.8D103 V104 L105 G108 P139 G140 D141 F159D103-D143 PolarHBondContact N-OD2 3.03Å; V104-D143 WeakPolarHBondContact CA-OD1 3.44Å; V104-D143 WeakPolarHBondContact CB-OD1 3.41Å; V104-D143 PolarHBondContact N-OD1 3.36Å; V104-D143 PolarHBondContact N-OD2 3.07Å; V104-D143 VanDerWaalsContact N-OD2 3.15Å; L105-D143 PolarHBondContact N-OD1 2.8Å; G108-D143 CarbonylContact C-O 3.5Å; P139-D143 WeakPolarHBondContact CA-OD2 3.13Å; P139-D143 HydrophobicContact CB-CB 4.07Å; G140-D143 PolarHBondContact N-OD2 2.94Å; G140-D143 WeakPolarHBondContact O-CB 3.1Å; G140-D143 PolarHBondContact O-N 2.83Å; D141-D143 PolarHBondContact O-N 2.65Å; D143-F159 HydrophobicContact CB-CD2 3.84Å; D143-F159 HydrophobicContact CB-CE2 3.47Å; D143-F159 VanDerWaalsContact CB-CE2 3.47Å; D143-F159 HydrophobicContact CB-CZ 4.13Å
144I94.4Very high91.7Very high0 Ų043.9 Ų43.90%026%0.257CS..Hα-helixtrans-132.5-1.5-167.163.6167.5000115P139 G140 V151 T155 L156 F159 Y181P139-I144 HydrophobicContact CB-CB 4.48Å; P139-I144 HydrophobicContact CB-CD1 3.66Å; P139-I144 HydrophobicContact CB-CG1 3.85Å; P139-I144 HydrophobicContact CB-CG2 3.85Å; P139-I144 HydrophobicContact CG-CD1 3.47Å; P139-I144 VanDerWaalsContact CG-CD1 3.47Å; P139-I144 HydrophobicContact CG-CG1 4.24Å; G140-I144 WeakPolarHBondContact O-CG1 3.28Å; G140-I144 PolarHBondContact O-N 3.44Å; I144-V151 HydrophobicContact CD1-CG1 4.11Å; I144-V151 HydrophobicContact CD1-CG2 4.29Å; I144-V151 HydrophobicContact CG1-CG2 4.36Å; I144-V151 WeakPolarHBondContact O-CA 3.19Å; I144-T155 VanDerWaalsContact O-CB 3.3Å; I144-T155 WeakPolarHBondContact O-CB 3.45Å; I144-T155 PolarHBondContact O-OG1 3.39Å; I144-L156 HydrophobicContact CB-CD2 4.5Å; I144-L156 HydrophobicContact CD1-CD2 3.55Å; I144-L156 HydrophobicContact CD1-CG 4.46Å; I144-L156 HydrophobicContact CG2-CD2 4.4Å; I144-F159 HydrophobicContact CG2-CB 3.72Å; I144-F159 HydrophobicContact CG2-CD1 4.32Å; I144-F159 HydrophobicContact CG2-CD2 4.09Å; I144-F159 HydrophobicContact CG2-CG 3.81Å; I144-Y181 HydrophobicContact CD1-CD1 3.87Å; I144-Y181 HydrophobicContact CD1-CE1 3.42Å; I144-Y181 VanDerWaalsContact CD1-CE1 3.42Å; I144-Y181 HydrophobicContact CD1-CE2 4.11Å; I144-Y181 HydrophobicContact CD1-CG 4.39Å
145G91.6Very high91.7Very high1 Ų143.8 Ų43.81%0.0126%0.257CS..  trans87.4174.5-16500000112D141 N149 V151D141-G145 WeakPolarHBondContact CA-O 3.45Å; D141-G145 CarbonylContact O-C 3.56Å; D141-G145 WeakPolarHBondContact O-CA 3.03Å; D141-G145 PolarHBondContact O-N 3.32Å; G145-N149 CarbonylContact C-O 3.47Å; G145-N149 WeakPolarHBondContact CA-O 3.28Å; G145-V151 WeakPolarHBondContact O-CG2 3.48Å
146G86.3Confident91.5Very high44 Ų4444.7 Ų44.745%0.45426%0.261SS..SBendtrans142.7-33-177.200000111.7N149G146-N149 PolarHBondContact N-O 2.71Å
147E83.2Confident91.5Very high113 Ų11348.5 Ų48.553%0.52829%0.285SS..SBendtrans-124.5125.5172.3-172165.1172.400109.2D141 N149 H232D141-E147 HydrophobicContact CB-CB 3.91Å; D141-E147 WeakPolarHBondContact OD2-CB 3.47Å; E147-N149 PolarHBondContact O-N 3.12Å; E147-H232 IonicContact OE2-CE1 3.44Å; E147-H232 PolarHBondContact OE2-CE1 2.96Å; E147-H232 VanDerWaalsContact OE2-CE1 3.22Å; E147-H232 IonicContact OE2-NE2 3.44Å
148G85.8Confident91.4Very high85 Ų8549.5 Ų49.588%0.87629%0.288SS*.SBendtrans71.7-54-174.600000114.6
149N90.3Very high91.5Very high73 Ų7349.5 Ų49.539%0.3929%0.288SS..SBendtrans-101.3136179-68.1-49.2000111.7D109 I110 G145 G146 E147D109-N149 WeakPolarHBondContact OD2-CB 3.06Å; D109-N149 PolarHBondContact OD2-ND2 2.83Å; I110-N149 WeakPolarHBondContact CG2-ND2 3.12Å; G145-N149 CarbonylContact C-O 3.47Å; G145-N149 WeakPolarHBondContact CA-O 3.28Å; G146-N149 PolarHBondContact N-O 2.71Å; E147-N149 PolarHBondContact O-N 3.12Å
150P90.9Very high91.3Very high99 Ų9950.4 Ų50.464%0.64329%0.292SS*.PPolyproline II helixtrans-72.4143.1179.529.3-34.4000111.7T152P150-T152 WeakPolarHBondContact O-CG2 2.83Å; P150-T152 PolarHBondContact O-N 2.81Å
151V91.1Very high91.2Very high57 Ų5753.7 Ų53.735%0.34532%0.32SS..PPolyproline II helixtrans-63.9122.5168-178.40000109.5I144 G145 L156I144-V151 HydrophobicContact CD1-CG1 4.11Å; I144-V151 HydrophobicContact CD1-CG2 4.29Å; I144-V151 HydrophobicContact CG1-CG2 4.36Å; I144-V151 WeakPolarHBondContact O-CA 3.19Å; G145-V151 WeakPolarHBondContact O-CG2 3.48Å; V151-L156 HydrophobicContact CG1-CD1 3.64Å; V151-L156 HydrophobicContact CG1-CD2 4.13Å; V151-L156 HydrophobicContact CG1-CG 3.68Å
152T91.4Very high91.2Very high55 Ų5554.4 Ų54.434%0.33732%0.323SS..  trans-114.5160.7179.570.70000111.6P150 K154 T155 L156P150-T152 WeakPolarHBondContact O-CG2 2.83Å; P150-T152 PolarHBondContact O-N 2.81Å; T152-K154 PolarHBondContact O-N 3.16Å; T152-K154 PolarHBondContact OG1-N 3.26Å; T152-T155 PolarHBondContact N-OG1 3.16Å; T152-T155 PolarHBondContact O-N 2.7Å; T152-T155 PolarHBondContact O-OG1 3.3Å; T152-T155 WeakPolarHBondContact OG1-CG2 3.25Å; T152-T155 PolarHBondContact OG1-N 2.89Å; T152-T155 VanDerWaalsContact OG1-N 3.11Å; T152-T155 PolarHBondContact OG1-OG1 2.98Å; T152-L156 PolarHBondContact O-N 3.01Å; T152-L156 VanDerWaalsContact O-N 3.13Å
153K89.9Confident91Very high177 Ų17752.4 Ų52.477%0.7731%0.312SS*.Hα-helixtrans-57.1-37.3170.6-172.5177.3179.7-1790111.3T157K153-T157 VanDerWaalsContact O-CB 3.26Å; K153-T157 WeakPolarHBondContact O-CB 3.45Å; K153-T157 PolarHBondContact O-N 3.37Å; K153-T157 PolarHBondContact O-OG1 3.42Å
154K91.8Very high90.3Very high129 Ų12957.2 Ų57.256%0.56134%0.344SS*.Hα-helixtrans-60.9-51.8178.1179.8-170.6172.6-168.70111.2T152 T157 R158T152-K154 PolarHBondContact O-N 3.16Å; T152-K154 PolarHBondContact OG1-N 3.26Å; K154-T157 PolarHBondContact O-N 2.69Å; K154-R158 WeakPolarHBondContact O-CG 3.34Å; K154-R158 PolarHBondContact O-N 3.42Å
155T92.5Very high89.7Confident10 Ų1058.6 Ų58.66%0.06135%0.352CS..Hα-helixtrans-63.6-45.7-176.357.10000111.1I144 T152 R158 F159I144-T155 VanDerWaalsContact O-CB 3.3Å; I144-T155 WeakPolarHBondContact O-CB 3.45Å; I144-T155 PolarHBondContact O-OG1 3.39Å; T152-T155 PolarHBondContact N-OG1 3.16Å; T152-T155 PolarHBondContact O-N 2.7Å; T152-T155 PolarHBondContact O-OG1 3.3Å; T152-T155 WeakPolarHBondContact OG1-CG2 3.25Å; T152-T155 PolarHBondContact OG1-N 2.89Å; T152-T155 VanDerWaalsContact OG1-N 3.11Å; T152-T155 PolarHBondContact OG1-OG1 2.98Å; T155-R158 VanDerWaalsContact O-CG 3.23Å; T155-R158 WeakPolarHBondContact O-CG 3.49Å; T155-F159 VanDerWaalsContact O-CB 3.32Å; T155-F159 WeakPolarHBondContact O-CB 3.33Å; T155-F159 PolarHBondContact O-N 2.61Å; T155-F159 VanDerWaalsContact O-N 3.07Å
156L90.9Very high89.2Confident39 Ų3962.6 Ų62.620%0.20437%0.369CS..Hα-helixtrans-61-47.2173.9-74.1169.5000113.1I144 V151 T152 F159 F160 Y181I144-L156 HydrophobicContact CB-CD2 4.5Å; I144-L156 HydrophobicContact CD1-CD2 3.55Å; I144-L156 HydrophobicContact CD1-CG 4.46Å; I144-L156 HydrophobicContact CG2-CD2 4.4Å; V151-L156 HydrophobicContact CG1-CD1 3.64Å; V151-L156 HydrophobicContact CG1-CD2 4.13Å; V151-L156 HydrophobicContact CG1-CG 3.68Å; T152-L156 PolarHBondContact O-N 3.01Å; T152-L156 VanDerWaalsContact O-N 3.13Å; L156-F159 PolarHBondContact O-N 3.07Å; L156-F160 HydrophobicContact CB-CD2 4.46Å; L156-F160 HydrophobicContact CB-CE2 4.19Å; L156-F160 HydrophobicContact CD2-CE2 3.86Å; L156-F160 HydrophobicContact CD2-CZ 4.05Å; L156-F160 WeakPolarHBondContact O-CD2 3.06Å; L156-F160 WeakPolarHBondContact O-CG 3.43Å; L156-F160 PolarHBondContact O-N 3.45Å; L156-Y181 HydrophobicContact CD2-CD1 4.11Å; L156-Y181 HydrophobicContact CD2-CE1 4.48Å
157T91.2Very high88.8Confident83 Ų8361.9 Ų61.951%0.50935%0.353SS..Hα-helixtrans-63.2-45.8-178.7-65.60000111.4K153 K154 F159 A161K153-T157 VanDerWaalsContact O-CB 3.26Å; K153-T157 WeakPolarHBondContact O-CB 3.45Å; K153-T157 PolarHBondContact O-N 3.37Å; K153-T157 PolarHBondContact O-OG1 3.42Å; K154-T157 PolarHBondContact O-N 2.69Å; T157-F159 VanDerWaalsContact C-N 3.32Å; T157-F159 PolarHBondContact O-N 2.94Å; T157-A161 WeakPolarHBondContact O-CB 3.28Å; T157-A161 PolarHBondContact O-N 2.73Å
158R92.9Very high88.6Confident20 Ų2056.7 Ų56.78%0.07533%0.33CS..Hα-helixtrans-65.1-37.9178.670.4172.5176-157.4-9.5112G108 D109 A111 F116 K154 T155 A161 N162G108-R158 PolarHBondContact O-NE 3.06Å; G108-R158 PolarHBondContact O-NH2 2.89Å; D109-R158 PolarHBondContact O-NH2 2.8Å; A111-R158 PolarHBondContact O-NH1 3.28Å; F116-R158 HydrophobicContact CD1-CB 4.39Å; F116-R158 HydrophobicContact CD1-CG 4.17Å; F116-R158 HydrophobicContact CD2-CG 4.49Å; F116-R158 HydrophobicContact CE1-CB 4.09Å; F116-R158 HydrophobicContact CE1-CG 3.78Å; F116-R158 HydrophobicContact CE2-CG 4.12Å; F116-R158 HydrophobicContact CZ-CG 3.76Å; K154-R158 WeakPolarHBondContact O-CG 3.34Å; K154-R158 PolarHBondContact O-N 3.42Å; T155-R158 VanDerWaalsContact O-CG 3.23Å; T155-R158 WeakPolarHBondContact O-CG 3.49Å; R158-A161 PolarHBondContact O-N 3.38Å; R158-N162 PolarHBondContact O-N 2.95Å; R158-N162 PolarHBondContact O-ND2 3.06Å
159F93.4Very high88.6Confident0 Ų056.3 Ų56.30%031%0.308CS..Hα-helixtrans-62.5-54.7179.4-172.6-98.7000111.4F116 L137 P139 D143 I144 T155 L156 T157 A161 N162 L163 Y167F116-F159 HydrophobicContact CZ-CB 4.17Å; F116-F159 HydrophobicContact CZ-CD2 4.03Å; L137-F159 HydrophobicContact CD2-CE1 3.29Å; L137-F159 HydrophobicContact CD2-CE2 4.48Å; L137-F159 HydrophobicContact CD2-CZ 3.23Å; P139-F159 HydrophobicContact CB-CD1 4.03Å; P139-F159 HydrophobicContact CB-CE1 3.51Å; P139-F159 HydrophobicContact CB-CE2 4.31Å; P139-F159 HydrophobicContact CB-CZ 3.65Å; P139-F159 HydrophobicContact CG-CD1 4.48Å; P139-F159 HydrophobicContact CG-CE1 4.1Å; D143-F159 HydrophobicContact CB-CD2 3.84Å; D143-F159 HydrophobicContact CB-CE2 3.47Å; D143-F159 VanDerWaalsContact CB-CE2 3.47Å; D143-F159 HydrophobicContact CB-CZ 4.13Å; I144-F159 HydrophobicContact CG2-CB 3.72Å; I144-F159 HydrophobicContact CG2-CD1 4.32Å; I144-F159 HydrophobicContact CG2-CD2 4.09Å; I144-F159 HydrophobicContact CG2-CG 3.81Å; T155-F159 VanDerWaalsContact O-CB 3.32Å; T155-F159 WeakPolarHBondContact O-CB 3.33Å; T155-F159 PolarHBondContact O-N 2.61Å; T155-F159 VanDerWaalsContact O-N 3.07Å; L156-F159 PolarHBondContact O-N 3.07Å; T157-F159 VanDerWaalsContact C-N 3.32Å; T157-F159 PolarHBondContact O-N 2.94Å; F159-A161 VanDerWaalsContact C-N 3.25Å; F159-A161 PolarHBondContact O-N 3.5Å; F159-N162 PolarHBondContact O-N 3.47Å; F159-L163 HydrophobicContact CD2-CD1 4.27Å; F159-L163 HydrophobicContact CE2-CD1 3.76Å; F159-L163 HydrophobicContact CZ-CD1 3.94Å; F159-L163 PolarHBondContact O-N 3.48Å; F159-L163 VanDerWaalsContact O-N 3.1Å; F159-Y167 HydrophobicContact CD1-CE1 4.37Å; F159-Y167 AromaticContact CE1-CE1 3.9Å; F159-Y167 HydrophobicContact CE1-CE1 3.9Å
160F91.1Very high88.6Confident20 Ų2055.5 Ų55.59%0.08830%0.3CS..Hα-helixtrans-66.9-24.2178.6-61.8-42.1000113.9L156 Y167 K183L156-F160 HydrophobicContact CB-CD2 4.46Å; L156-F160 HydrophobicContact CB-CE2 4.19Å; L156-F160 HydrophobicContact CD2-CE2 3.86Å; L156-F160 HydrophobicContact CD2-CZ 4.05Å; L156-F160 WeakPolarHBondContact O-CD2 3.06Å; L156-F160 WeakPolarHBondContact O-CG 3.43Å; L156-F160 PolarHBondContact O-N 3.45Å; F160-Y167 AromaticContact CD1-CD1 3.78Å; F160-Y167 HydrophobicContact CD1-CD1 3.78Å; F160-Y167 AromaticContact CD1-CD2 3.86Å; F160-Y167 HydrophobicContact CD1-CD2 3.86Å; F160-Y167 AromaticContact CD1-CE1 3.58Å; F160-Y167 HydrophobicContact CD1-CE1 3.58Å; F160-Y167 AromaticContact CD1-CE2 3.66Å; F160-Y167 HydrophobicContact CD1-CE2 3.66Å; F160-Y167 AromaticContact CD1-CG 3.91Å; F160-Y167 HydrophobicContact CD1-CG 3.91Å; F160-Y167 AromaticContact CD1-CZ 3.51Å; F160-Y167 AromaticContact CE1-CD1 3.43Å; F160-Y167 HydrophobicContact CE1-CD1 3.43Å; F160-Y167 VanDerWaalsContact CE1-CD1 3.43Å; F160-Y167 HydrophobicContact CE1-CD2 4.25Å; F160-Y167 AromaticContact CE1-CE1 3.53Å; F160-Y167 HydrophobicContact CE1-CE1 3.53Å; F160-Y167 HydrophobicContact CE1-CE2 4.33Å; F160-Y167 AromaticContact CE1-CG 3.81Å; F160-Y167 HydrophobicContact CE1-CG 3.81Å; F160-Y167 AromaticContact CE1-CZ 3.99Å; F160-K183 HydrophobicContact CD2-CG 4.35Å
161A91.7Very high88.7Confident69 Ų6955.7 Ų55.757%0.5729%0.291SS*.Hα-helixtrans-76.7-37.1176.500000112.7T157 R158 F159T157-A161 WeakPolarHBondContact O-CB 3.28Å; T157-A161 PolarHBondContact O-N 2.73Å; R158-A161 PolarHBondContact O-N 3.38Å; F159-A161 VanDerWaalsContact C-N 3.25Å; F159-A161 PolarHBondContact O-N 3.5Å
162N94Very high88.8Confident26 Ų2655.9 Ų55.914%0.13929%0.285CS..Hα-helixtrans-87.9-23.9-176.2-75.2-87.7000113.3F116 T117 T120 R124 R158 F159 P164F116-N162 HydrophobicContact CE1-CB 4.07Å; T117-N162 PolarHBondContact OG1-OD1 3.37Å; T120-N162 HydrophobicContact CG2-CB 3.97Å; T120-N162 WeakPolarHBondContact OG1-CB 3Å; R124-N162 PolarHBondContact NH1-O 3.18Å; R124-N162 VanDerWaalsContact NH1-O 3.14Å; R158-N162 PolarHBondContact O-N 2.95Å; R158-N162 PolarHBondContact O-ND2 3.06Å; F159-N162 PolarHBondContact O-N 3.47Å; N162-P164 VanDerWaalsContact O-CD 3.3Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å
163L91.4Very high88.8Confident0 Ų057.7 Ų57.70%029%0.289CS..  trans-115.980.4177.8-63.4177.2000110.2V104 T120 F123 R124 L137 F159 V165 Y167V104-L163 HydrophobicContact CG1-CD1 4.17Å; T120-L163 HydrophobicContact CG2-CD1 4.32Å; T120-L163 HydrophobicContact CG2-CD2 4.28Å; T120-L163 HydrophobicContact CG2-CG 4.09Å; F123-L163 HydrophobicContact CD1-CD1 4.46Å; F123-L163 HydrophobicContact CD1-CD2 3.54Å; F123-L163 HydrophobicContact CE1-CD2 4.09Å; F123-L163 HydrophobicContact CG-CD2 4.44Å; R124-L163 HydrophobicContact CG-CD2 3.85Å; L137-L163 HydrophobicContact CD1-CD1 4.02Å; F159-L163 HydrophobicContact CD2-CD1 4.27Å; F159-L163 HydrophobicContact CE2-CD1 3.76Å; F159-L163 HydrophobicContact CZ-CD1 3.94Å; F159-L163 PolarHBondContact O-N 3.48Å; F159-L163 VanDerWaalsContact O-N 3.1Å; L163-V165 PolarHBondContact O-N 3.12Å; L163-Y167 VanDerWaalsContact CB-OH 3.29Å; L163-Y167 WeakPolarHBondContact CB-OH 3.33Å; L163-Y167 WeakPolarHBondContact O-CE2 3.37Å; L163-Y167 PolarHBondContact O-OH 2.92Å
164P79.8Confident89.1Confident101 Ų10150.1 Ų50.166%0.65626%0.256SS*.  trans-78.859.1-174.533.9-37.8000112.7N162N162-P164 VanDerWaalsContact O-CD 3.3Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å
165V81.7Confident89.2Confident29 Ų2944 Ų4418%0.17623%0.229CC..SBendtrans-103179.6177.7-61.60000111.5L128 V135 L137 L163 Y167L128-V165 HydrophobicContact CD1-CG1 3.54Å; L128-V165 HydrophobicContact CD2-CG1 4.25Å; V135-V165 HydrophobicContact CB-CB 4.41Å; V135-V165 HydrophobicContact CB-CG1 4.32Å; V135-V165 HydrophobicContact CG1-CB 4.06Å; V135-V165 HydrophobicContact CG1-CG1 3.92Å; V135-V165 HydrophobicContact CG1-CG2 4.47Å; L137-V165 HydrophobicContact CB-CG2 3.43Å; L137-V165 VanDerWaalsContact CB-CG2 3.43Å; L137-V165 HydrophobicContact CD1-CG2 3.95Å; L137-V165 HydrophobicContact CG-CG2 4.25Å; L163-V165 PolarHBondContact O-N 3.12Å; V165-Y167 HydrophobicContact CG2-CE1 4.22Å; V165-Y167 HydrophobicContact CG2-CE2 3.86Å; V165-Y167 WeakPolarHBondContact O-CD2 3.46Å; V165-Y167 WeakPolarHBondContact O-CE2 3.45Å
166K82Confident89.3Confident86 Ų8644.1 Ų44.137%0.37423%0.229SC..BIsolated β-bridgetrans-74.3134.2177.5-60.8171.2177.4159.20109.7V135 L137 Y170V135-K166 WeakPolarHBondContact O-CB 3.38Å; V135-K166 PolarHBondContact O-N 2.98Å; L137-K166 PolarHBondContact N-O 3.17Å; K166-Y170 HydrophobicContact CD-CD1 4.45Å; K166-Y170 HydrophobicContact CD-CD2 3.58Å; K166-Y170 HydrophobicContact CD-CE1 4.41Å; K166-Y170 HydrophobicContact CD-CE2 3.6Å; K166-Y170 HydrophobicContact CD-CG 4.04Å; K166-Y170 PolarHBondContact NZ-OH 2.95Å
167Y78.3Confident89.5Confident28 Ų2842.3 Ų42.311%0.1122%0.22CC..  trans-127.1149.4177.1-64.6-79.8000109.8L137 F159 F160 L163 V165L137-Y167 HydrophobicContact CB-CE1 4.02Å; L137-Y167 HydrophobicContact CD2-CE1 3.65Å; L137-Y167 HydrophobicContact CG-CE1 4.41Å; L137-Y167 WeakPolarHBondContact O-CD1 3.5Å; L137-Y167 WeakPolarHBondContact O-CE1 3.32Å; F159-Y167 HydrophobicContact CD1-CE1 4.37Å; F159-Y167 AromaticContact CE1-CE1 3.9Å; F159-Y167 HydrophobicContact CE1-CE1 3.9Å; F160-Y167 AromaticContact CD1-CD1 3.78Å; F160-Y167 HydrophobicContact CD1-CD1 3.78Å; F160-Y167 AromaticContact CD1-CD2 3.86Å; F160-Y167 HydrophobicContact CD1-CD2 3.86Å; F160-Y167 AromaticContact CD1-CE1 3.58Å; F160-Y167 HydrophobicContact CD1-CE1 3.58Å; F160-Y167 AromaticContact CD1-CE2 3.66Å; F160-Y167 HydrophobicContact CD1-CE2 3.66Å; F160-Y167 AromaticContact CD1-CG 3.91Å; F160-Y167 HydrophobicContact CD1-CG 3.91Å; F160-Y167 AromaticContact CD1-CZ 3.51Å; F160-Y167 AromaticContact CE1-CD1 3.43Å; F160-Y167 HydrophobicContact CE1-CD1 3.43Å; F160-Y167 VanDerWaalsContact CE1-CD1 3.43Å; F160-Y167 HydrophobicContact CE1-CD2 4.25Å; F160-Y167 AromaticContact CE1-CE1 3.53Å; F160-Y167 HydrophobicContact CE1-CE1 3.53Å; F160-Y167 HydrophobicContact CE1-CE2 4.33Å; F160-Y167 AromaticContact CE1-CG 3.81Å; F160-Y167 HydrophobicContact CE1-CG 3.81Å; F160-Y167 AromaticContact CE1-CZ 3.99Å; L163-Y167 VanDerWaalsContact CB-OH 3.29Å; L163-Y167 WeakPolarHBondContact CB-OH 3.33Å; L163-Y167 WeakPolarHBondContact O-CE2 3.37Å; L163-Y167 PolarHBondContact O-OH 2.92Å; V165-Y167 HydrophobicContact CG2-CE1 4.22Å; V165-Y167 HydrophobicContact CG2-CE2 3.86Å; V165-Y167 WeakPolarHBondContact O-CD2 3.46Å; V165-Y167 WeakPolarHBondContact O-CE2 3.45Å
168G78.4Confident89.5Confident4 Ų439.9 Ų39.94%0.04120%0.202CC..SBendtrans77.8-125.2177.500000112.9S179G168-S179 PolarHBondContact O-N 3.04Å
169N86.1Confident89.1Confident78 Ų7839.1 Ų39.142%0.41720%0.199SC..  trans-90.3130.3-170.3-63.53.8000111.5F177 Y178N169-F177 VanDerWaalsContact CA-O 3.27Å; N169-F177 WeakPolarHBondContact CA-O 3.48Å; N169-Y178 WeakPolarHBondContact OD1-CD1 3.3Å
170Y90Very high88.3Confident55 Ų5541.8 Ų41.822%0.21621%0.214CC..EExtended strand (participates in β ladder)trans-146.2139.5177.2-178.2-113.8000111.3F134 I136 K166 F177F134-Y170 HydrophobicContact CB-CE1 3.94Å; F134-Y170 HydrophobicContact CD1-CE1 4.39Å; F134-Y170 HydrophobicContact CD2-CD1 4.08Å; F134-Y170 AromaticContact CD2-CE1 3.56Å; F134-Y170 HydrophobicContact CD2-CE1 3.56Å; F134-Y170 HydrophobicContact CE2-CD1 4.44Å; F134-Y170 HydrophobicContact CE2-CE1 4.15Å; F134-Y170 AromaticContact CG-CE1 3.71Å; F134-Y170 HydrophobicContact CG-CE1 3.71Å; I136-Y170 HydrophobicContact CD1-CD1 3.76Å; I136-Y170 HydrophobicContact CD1-CG 4.27Å; I136-Y170 HydrophobicContact CG1-CD1 4.15Å; K166-Y170 HydrophobicContact CD-CD1 4.45Å; K166-Y170 HydrophobicContact CD-CD2 3.58Å; K166-Y170 HydrophobicContact CD-CE1 4.41Å; K166-Y170 HydrophobicContact CD-CE2 3.6Å; K166-Y170 HydrophobicContact CD-CG 4.04Å; K166-Y170 PolarHBondContact NZ-OH 2.95Å; Y170-F177 HydrophobicContact CD1-CD2 4.07Å; Y170-F177 PolarHBondContact N-O 3.15Å; Y170-F177 WeakPolarHBondContact O-CD2 3.36Å; Y170-F177 PolarHBondContact O-N 2.75Å
171K92.3Very high87.4Confident104 Ų10443.1 Ų43.145%0.45222%0.218SC..EExtended strand (participates in β ladder)trans-113.4133.5175.8-178.3171.4-171.2163.90110.4K173 V175 N176 E198K171-K173 VanDerWaalsContact CE-O 3.23Å; K171-K173 WeakPolarHBondContact CE-O 3.24Å; K171-V175 WeakPolarHBondContact CA-O 3.49Å; K171-N176 VanDerWaalsContact CD-OD1 3.28Å; K171-N176 WeakPolarHBondContact CD-OD1 3.35Å; K171-N176 VanDerWaalsContact CG-OD1 3.25Å; K171-N176 WeakPolarHBondContact CG-OD1 3.32Å; K171-E198 IonicContact NZ-OE1 2.61Å; K171-E198 PolarHBondContact NZ-OE1 3.27Å; K171-E198 IonicContact NZ-OE2 3.35Å; K171-E198 PolarHBondContact NZ-OE2 2.88Å
172Y93Very high85.9Confident60 Ų6043.9 Ų43.924%0.23521%0.206CC..EExtended strand (participates in β ladder)trans-136.1117171.4-173.4-95.1000109.7V50 N96 F134 F174 V175V50-Y172 HydrophobicContact CG1-CD1 3.76Å; V50-Y172 HydrophobicContact CG1-CE1 3.98Å; V50-Y172 HydrophobicContact CG2-CD1 3.97Å; V50-Y172 HydrophobicContact CG2-CE1 4.06Å; N96-Y172 HydrophobicContact CB-CE1 3.83Å; F134-Y172 HydrophobicContact CD1-CD1 4.35Å; F134-Y172 AromaticContact CD1-CD2 3.61Å; F134-Y172 HydrophobicContact CD1-CD2 3.61Å; F134-Y172 AromaticContact CD1-CE2 3.82Å; F134-Y172 HydrophobicContact CD1-CE2 3.82Å; F134-Y172 AromaticContact CD1-CG 3.89Å; F134-Y172 HydrophobicContact CD1-CG 3.89Å; F134-Y172 AromaticContact CE1-CD1 3.71Å; F134-Y172 HydrophobicContact CE1-CD1 3.71Å; F134-Y172 AromaticContact CE1-CD2 3.83Å; F134-Y172 HydrophobicContact CE1-CD2 3.83Å; F134-Y172 HydrophobicContact CE1-CE1 4.02Å; F134-Y172 HydrophobicContact CE1-CE2 4.13Å; F134-Y172 AromaticContact CE1-CG 3.61Å; F134-Y172 HydrophobicContact CE1-CG 3.61Å; F134-Y172 HydrophobicContact CG-CD2 4.43Å; F134-Y172 HydrophobicContact CZ-CD1 4.42Å; F134-Y172 HydrophobicContact CZ-CG 4.28Å; Y172-F174 PolarHBondContact O-N 2.99Å; Y172-V175 PolarHBondContact N-O 3.25Å; Y172-V175 PolarHBondContact O-N 3.22Å
173K93.1Very high83.9Confident94 Ų9447.1 Ų47.141%0.40922%0.219SC..THydrogen-bonded Turntrans48.6-120-169.7-59-170.7-174176.20111.3E47 E49 V50 K171E47-K173 PolarHBondContact O-NZ 3.43Å; E49-K173 PolarHBondContact O-NZ 3.42Å; V50-K173 HydrophobicContact CG2-CB 4.22Å; V50-K173 HydrophobicContact CG2-CD 3.83Å; V50-K173 HydrophobicContact CG2-CG 4.34Å; K171-K173 VanDerWaalsContact CE-O 3.23Å; K171-K173 WeakPolarHBondContact CE-O 3.24Å
174F94.5Very high81.7Confident17 Ų1753 Ų538%0.07526%0.257CS..THydrogen-bonded Turntrans-91.88.8179.957.6-92.9000113.5D48 V50 Y172 E198 I199 L324 Y325 Q326D48-F174 VanDerWaalsContact O-CE1 3.25Å; D48-F174 WeakPolarHBondContact O-CE1 3.14Å; D48-F174 WeakPolarHBondContact O-CZ 3.39Å; V50-F174 HydrophobicContact CB-CZ 4.46Å; V50-F174 HydrophobicContact CG2-CE1 3.86Å; V50-F174 HydrophobicContact CG2-CZ 3.82Å; Y172-F174 PolarHBondContact O-N 2.99Å; F174-E198 CarbonylContact O-C 3.59Å; F174-E198 VanDerWaalsContact O-CA 3.31Å; F174-E198 WeakPolarHBondContact O-CA 3.23Å; F174-I199 HydrophobicContact CD2-CD1 4.07Å; F174-I199 HydrophobicContact CD2-CG1 4.31Å; F174-I199 HydrophobicContact CE2-CD1 3.87Å; F174-I199 PolarHBondContact O-N 2.78Å; F174-L324 HydrophobicContact CE2-CB 4.35Å; F174-L324 WeakPolarHBondContact CZ-O 3.22Å; F174-Y325 VanDerWaalsContact CE2-C 3.45Å; F174-Y325 VanDerWaalsContact CZ-C 3.48Å; F174-Q326 HydrophobicContact CB-CG 4.49Å; F174-Q326 HydrophobicContact CD1-CB 3.93Å; F174-Q326 HydrophobicContact CD1-CG 4.02Å; F174-Q326 HydrophobicContact CD2-CB 4.47Å; F174-Q326 HydrophobicContact CE1-CB 3.86Å; F174-Q326 HydrophobicContact CE1-CG 4.46Å; F174-Q326 HydrophobicContact CE2-CB 4.4Å; F174-Q326 HydrophobicContact CG-CB 4.26Å; F174-Q326 HydrophobicContact CG-CG 4.13Å; F174-Q326 HydrophobicContact CZ-CB 4.11Å; F174-Q326 VanDerWaalsContact CZ-N 3.26Å
175V95.7Very high80Confident0 Ų056.8 Ų56.80%027%0.266CS..EExtended strand (participates in β ladder)trans-112.6126.6-177.5-168.90000110.6V50 K171 Y172 F177 I199 V201 L324V50-V175 HydrophobicContact CB-CG2 4.39Å; V50-V175 HydrophobicContact CG2-CG2 4.21Å; K171-V175 WeakPolarHBondContact CA-O 3.49Å; Y172-V175 PolarHBondContact N-O 3.25Å; Y172-V175 PolarHBondContact O-N 3.22Å; V175-F177 HydrophobicContact CB-CE2 4.11Å; V175-F177 HydrophobicContact CB-CZ 4.05Å; V175-F177 HydrophobicContact CG1-CD2 4.45Å; V175-F177 HydrophobicContact CG1-CE1 3.8Å; V175-F177 HydrophobicContact CG1-CE2 3.75Å; V175-F177 HydrophobicContact CG1-CZ 3.36Å; V175-I199 WeakPolarHBondContact CA-O 3.1Å; V175-V201 HydrophobicContact CG1-CG2 3.62Å; V175-L324 HydrophobicContact CB-CD1 4.37Å; V175-L324 HydrophobicContact CG1-CD1 3.7Å; V175-L324 HydrophobicContact CG2-CB 4.3Å; V175-L324 HydrophobicContact CG2-CD1 3.75Å
176N94.7Very high78.2Confident13 Ų1360.5 Ų60.57%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-109.3123.5174.4-57.5-59.4000109.7K171 Y178 E198 I199 N200 V201K171-N176 VanDerWaalsContact CD-OD1 3.28Å; K171-N176 WeakPolarHBondContact CD-OD1 3.35Å; K171-N176 VanDerWaalsContact CG-OD1 3.25Å; K171-N176 WeakPolarHBondContact CG-OD1 3.32Å; N176-Y178 HydrophobicContact CB-CD2 4.44Å; N176-Y178 HydrophobicContact CB-CE2 3.55Å; N176-E198 PolarHBondContact ND2-OE2 3.35Å; N176-I199 PolarHBondContact N-O 2.8Å; N176-N200 WeakPolarHBondContact CB-OD1 3.36Å; N176-N200 PolarHBondContact ND2-OD1 3.28Å; N176-N200 WeakPolarHBondContact O-CA 3.34Å; N176-V201 PolarHBondContact O-N 2.98Å
177F93.7Very high76.2Confident1 Ų167.6 Ų67.60%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-100.1137.6175.2-56.1-84.2000110.3I52 L99 F134 I136 N169 Y170 V175 V201 V203I52-F177 HydrophobicContact CD1-CE1 3.72Å; I52-F177 HydrophobicContact CD1-CZ 3.35Å; L99-F177 HydrophobicContact CD1-CD1 4.09Å; L99-F177 HydrophobicContact CD1-CE1 3.95Å; L99-F177 HydrophobicContact CD2-CD1 4.16Å; L99-F177 HydrophobicContact CD2-CE1 4.26Å; F134-F177 HydrophobicContact CE2-CE2 4.17Å; F134-F177 HydrophobicContact CE2-CZ 4.46Å; F134-F177 HydrophobicContact CZ-CE2 4.21Å; F134-F177 HydrophobicContact CZ-CZ 4.33Å; I136-F177 HydrophobicContact CD1-CB 3.42Å; I136-F177 VanDerWaalsContact CD1-CB 3.42Å; I136-F177 HydrophobicContact CD1-CD1 4Å; I136-F177 HydrophobicContact CD1-CD2 3.46Å; I136-F177 VanDerWaalsContact CD1-CD2 3.46Å; I136-F177 HydrophobicContact CD1-CE2 4.25Å; I136-F177 HydrophobicContact CD1-CG 3.32Å; N169-F177 VanDerWaalsContact CA-O 3.27Å; N169-F177 WeakPolarHBondContact CA-O 3.48Å; Y170-F177 HydrophobicContact CD1-CD2 4.07Å; Y170-F177 PolarHBondContact N-O 3.15Å; Y170-F177 WeakPolarHBondContact O-CD2 3.36Å; Y170-F177 PolarHBondContact O-N 2.75Å; V175-F177 HydrophobicContact CB-CE2 4.11Å; V175-F177 HydrophobicContact CB-CZ 4.05Å; V175-F177 HydrophobicContact CG1-CD2 4.45Å; V175-F177 HydrophobicContact CG1-CE1 3.8Å; V175-F177 HydrophobicContact CG1-CE2 3.75Å; V175-F177 HydrophobicContact CG1-CZ 3.36Å; F177-V201 CarbonylContact C-O 3.37Å; F177-V201 WeakPolarHBondContact CA-O 3.05Å; F177-V201 HydrophobicContact CD1-CB 3.85Å; F177-V201 HydrophobicContact CD1-CG1 4.06Å; F177-V201 HydrophobicContact CD1-CG2 4.4Å; F177-V201 HydrophobicContact CE1-CB 4.11Å; F177-V201 HydrophobicContact CE1-CG1 4.26Å; F177-V201 HydrophobicContact CE1-CG2 4.2Å; F177-V203 HydrophobicContact CD1-CG2 4.16Å
178Y90.7Very high74.7Confident33 Ų3368.7 Ų68.713%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-130.5117.3176.9-58.9-91.6000108.9N169 N176 N200 V201 Y202 V203 A223N169-Y178 WeakPolarHBondContact OD1-CD1 3.3Å; N176-Y178 HydrophobicContact CB-CD2 4.44Å; N176-Y178 HydrophobicContact CB-CE2 3.55Å; Y178-N200 HydrophobicContact CD2-CB 4.47Å; Y178-N200 HydrophobicContact CE2-CB 3.9Å; Y178-V201 PolarHBondContact N-O 3.12Å; Y178-Y202 CarbonylContact O-C 3.48Å; Y178-Y202 WeakPolarHBondContact O-CA 3.45Å; Y178-Y202 WeakPolarHBondContact O-CD2 3.45Å; Y178-V203 PolarHBondContact O-N 3.33Å; Y178-A223 HydrophobicContact CD1-CB 3.93Å; Y178-A223 HydrophobicContact CD2-CB 3.56Å; Y178-A223 HydrophobicContact CE1-CB 4.3Å; Y178-A223 HydrophobicContact CE2-CB 3.95Å; Y178-A223 HydrophobicContact CG-CB 3.54Å
179S85.7Confident73.1Confident3 Ų378.6 Ų78.62%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-103.3148.8176.41750000112.4T138 G168 V203T138-S179 PolarHBondContact OG1-OG 2.8Å; G168-S179 PolarHBondContact O-N 3.04Å; S179-V203 VanDerWaalsContact CA-O 3.3Å; S179-V203 WeakPolarHBondContact CA-O 3.28Å
180D75.9Confident71.2Confident57 Ų5778.5 Ų78.531%0.30536%0.36SS..SBendtrans-68.2-38.6-178.5-148.829.7000113R182 Y202 N219D180-R182 PolarHBondContact O-N 3.26Å; D180-Y202 WeakPolarHBondContact CB-OH 3.3Å; D180-Y202 PolarHBondContact OD1-OH 3.32Å; D180-N219 PolarHBondContact OD1-ND2 3.34Å
181Y73.4Confident69.1Low47 Ų4779.6 Ų79.618%0.18438%0.375CS..  trans-85.7103.4177.6-69.7-78.2000110.6P139 I144 L156P139-Y181 HydrophobicContact CG-CD1 4.19Å; P139-Y181 HydrophobicContact CG-CD2 3.44Å; P139-Y181 VanDerWaalsContact CG-CD2 3.44Å; P139-Y181 HydrophobicContact CG-CE2 3.95Å; P139-Y181 HydrophobicContact CG-CG 3.55Å; I144-Y181 HydrophobicContact CD1-CD1 3.87Å; I144-Y181 HydrophobicContact CD1-CE1 3.42Å; I144-Y181 VanDerWaalsContact CD1-CE1 3.42Å; I144-Y181 HydrophobicContact CD1-CE2 4.11Å; I144-Y181 HydrophobicContact CD1-CG 4.39Å; L156-Y181 HydrophobicContact CD2-CD1 4.11Å; L156-Y181 HydrophobicContact CD2-CE1 4.48Å
182R59.3Low66.9Low85 Ų8581.8 Ų81.832%0.32139%0.392SS..  trans-96.3145169.4-69.2175.4-71.8-172.9-3.2109.3D180 N219D180-R182 PolarHBondContact O-N 3.26Å; R182-N219 PolarHBondContact NH2-ND2 2.73Å; R182-N219 PolarHBondContact NH2-OD1 2.97Å
183K53.2Low64.8Low95 Ų9587.3 Ų87.341%0.41342%0.42SS..  trans-52.2130.9159.7-75.5-173.8177-178.40107.2F160 E185 I186F160-K183 HydrophobicContact CD2-CG 4.35Å; K183-E185 PolarHBondContact O-N 2.9Å; K183-I186 HydrophobicContact CB-CD1 4.33Å; K183-I186 HydrophobicContact CB-CG1 4.45Å; K183-I186 PolarHBondContact O-N 3.25Å; K183-I186 VanDerWaalsContact O-N 3.14Å
184P44.6Very low63Low122 Ų12285.1 Ų85.179%0.79241%0.413SS*.THydrogen-bonded Turntrans-55.9-17-172.616.2-29.2000114.1
185E44.3Very low61.4Low181 Ų18187.1 Ų87.185%0.84643%0.429SS*.THydrogen-bonded Turntrans-90.4-10.1-174.2-63.1175.4-175.900114.8K183K183-E185 PolarHBondContact O-N 2.9Å
186I43.3Very low60.1Low108 Ų10891.6 Ų91.655%0.55446%0.46SS*.  trans-101.399.4-173.6-53.9177.3000110.9K183K183-I186 HydrophobicContact CB-CD1 4.33Å; K183-I186 HydrophobicContact CB-CG1 4.45Å; K183-I186 PolarHBondContact O-N 3.25Å; K183-I186 VanDerWaalsContact O-N 3.14Å
187R40.6Very low59.3Low234 Ų23495.1 Ų95.188%0.88348%0.479SS*.  trans-72.9134163.2-67.7-176.1-176.4172.82.1109.2K189R187-K189 PolarHBondContact O-N 3.38Å
188P45.7Very low59.2Low52 Ų5296.6 Ų96.634%0.33849%0.486SS..  trans-74.5132.3-175.432.1-35.6000110.9I190P188-I190 HydrophobicContact CB-CG1 4.04Å; P188-I190 HydrophobicContact CG-CD1 4.25Å; P188-I190 HydrophobicContact CG-CG1 4.31Å; P188-I190 PolarHBondContact O-N 3.49Å
189K44.5Very low59.4Low211 Ų21195 Ų9592%0.91748%0.48SS*.  trans-80.393.5150.3-83.9-177175.7179.60106.2R187 S191R187-K189 PolarHBondContact O-N 3.38Å; K189-S191 PolarHBondContact O-N 2.79Å
190I46.3Very low59.9Low76 Ų7695.4 Ų95.439%0.3948%0.482SS..  trans-77.1109.4166.5-65.3160.7000105.4P188 N192 K222P188-I190 HydrophobicContact CB-CG1 4.04Å; P188-I190 HydrophobicContact CG-CD1 4.25Å; P188-I190 HydrophobicContact CG-CG1 4.31Å; P188-I190 PolarHBondContact O-N 3.49Å; I190-N192 PolarHBondContact O-N 2.67Å; I190-K222 HydrophobicContact CD1-CB 4.41Å
191S45.9Very low60.8Low78 Ų7892.7 Ų92.755%0.54547%0.467SS..  trans-69.1110.5159.346.50000106.5K189 E193K189-S191 PolarHBondContact O-N 2.79Å; S191-E193 PolarHBondContact O-N 2.78Å
192N46.2Very low61.9Low151 Ų15190.5 Ų90.581%0.80746%0.458SS*.SBendtrans-66.40.5173.8-83.5-13.1000113I190 N194I190-N192 PolarHBondContact O-N 2.67Å; N192-N194 PolarHBondContact O-N 3.31Å
193E49.9Very low63.6Low176 Ų17686.5 Ų86.582%0.82244%0.443SS*.  trans-100.261.7177.5-63.2179.3-170.600109.9S191 S195S191-E193 PolarHBondContact O-N 2.78Å; E193-S195 PolarHBondContact O-N 3.31Å
194N54.5Low65.5Low48 Ų4882.2 Ų82.226%0.25743%0.425SS..  trans-72.5121.6161.4-72.6-15.4000106.7N192 N200N192-N194 PolarHBondContact O-N 3.31Å; N194-N200 PolarHBondContact ND2-ND2 3.29Å
195S60.7Low67.9Low59 Ų5976.5 Ų76.541%0.41339%0.388SS..  trans-60153.5171.666.40000109.3E193 D197 E198E193-S195 PolarHBondContact O-N 3.31Å; S195-D197 PolarHBondContact O-N 3.29Å; S195-E198 PolarHBondContact O-N 2.98Å; S195-E198 WeakPolarHBondContact OG-CG 3.44Å
196S69.1Low70.3Confident94 Ų9471 Ų7166%0.65736%0.362SS*.THydrogen-bonded Turntrans-56.9-15.5177.451.80000113.5K328S196-K328 WeakPolarHBondContact O-CE 3.07Å; S196-K328 PolarHBondContact O-NZ 2.83Å
197D78.9Confident72.8Confident86 Ų8666.2 Ų66.246%0.4634%0.337SS..THydrogen-bonded Turntrans-101.6-6.2-168.4-53.8-15.2000112.2S195S195-D197 PolarHBondContact O-N 3.29Å
198E90.8Very high75.2Confident32 Ų3255.3 Ų55.315%0.1530%0.297CS..  trans-81.4147.5177.9-77174.7-162.400112.9K171 F174 N176 S195K171-E198 IonicContact NZ-OE1 2.61Å; K171-E198 PolarHBondContact NZ-OE1 3.27Å; K171-E198 IonicContact NZ-OE2 3.35Å; K171-E198 PolarHBondContact NZ-OE2 2.88Å; F174-E198 CarbonylContact O-C 3.59Å; F174-E198 VanDerWaalsContact O-CA 3.31Å; F174-E198 WeakPolarHBondContact O-CA 3.23Å; N176-E198 PolarHBondContact ND2-OE2 3.35Å; S195-E198 PolarHBondContact O-N 2.98Å; S195-E198 WeakPolarHBondContact OG-CG 3.44Å
199I95Very high77.4Confident0 Ų052.9 Ų52.90%028%0.281CS..EExtended strand (participates in β ladder)trans-106.3119.2175-58.5176.7000108.5F174 V175 N176 V201 L274 L324 K328F174-I199 HydrophobicContact CD2-CD1 4.07Å; F174-I199 HydrophobicContact CD2-CG1 4.31Å; F174-I199 HydrophobicContact CE2-CD1 3.87Å; F174-I199 PolarHBondContact O-N 2.78Å; V175-I199 WeakPolarHBondContact CA-O 3.1Å; N176-I199 PolarHBondContact N-O 2.8Å; I199-V201 HydrophobicContact CG2-CG2 3.88Å; I199-L274 HydrophobicContact CG1-CD1 4.47Å; I199-L274 HydrophobicContact CG2-CD1 3.65Å; I199-L324 HydrophobicContact CD1-CB 4.37Å; I199-L324 HydrophobicContact CD1-CD2 4.46Å; I199-K328 HydrophobicContact CD1-CG 4.43Å; I199-K328 HydrophobicContact CG1-CG 4.12Å
200N94.9Very high79.3Confident11 Ų1143.2 Ų43.26%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-99113.1176.4-63.4-25.1000109.5N176 Y178 N194 A223 N224 A225 S226 L227N176-N200 WeakPolarHBondContact CB-OD1 3.36Å; N176-N200 PolarHBondContact ND2-OD1 3.28Å; N176-N200 WeakPolarHBondContact O-CA 3.34Å; Y178-N200 HydrophobicContact CD2-CB 4.47Å; Y178-N200 HydrophobicContact CE2-CB 3.9Å; N194-N200 PolarHBondContact ND2-ND2 3.29Å; N200-A223 WeakPolarHBondContact CB-O 3.38Å; N200-A223 PolarHBondContact ND2-O 2.93Å; N200-N224 PolarHBondContact ND2-O 3.13Å; N200-A225 WeakPolarHBondContact O-CA 3.29Å; N200-S226 PolarHBondContact O-N 3.35Å; N200-S226 VanDerWaalsContact O-N 3.08Å; N200-L227 PolarHBondContact O-N 3.07Å
201V96.1Very high80.6Confident0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-105.8120.2-178.2-174.50000109.1V175 N176 F177 Y178 I199 V203 L227 I229 L324V175-V201 HydrophobicContact CG1-CG2 3.62Å; N176-V201 PolarHBondContact O-N 2.98Å; F177-V201 CarbonylContact C-O 3.37Å; F177-V201 WeakPolarHBondContact CA-O 3.05Å; F177-V201 HydrophobicContact CD1-CB 3.85Å; F177-V201 HydrophobicContact CD1-CG1 4.06Å; F177-V201 HydrophobicContact CD1-CG2 4.4Å; F177-V201 HydrophobicContact CE1-CB 4.11Å; F177-V201 HydrophobicContact CE1-CG1 4.26Å; F177-V201 HydrophobicContact CE1-CG2 4.2Å; Y178-V201 PolarHBondContact N-O 3.12Å; I199-V201 HydrophobicContact CG2-CG2 3.88Å; V201-V203 HydrophobicContact CG1-CG2 4.13Å; V201-L227 CarbonylContact C-O 3.27Å; V201-L227 WeakPolarHBondContact CA-O 3.49Å; V201-L227 HydrophobicContact CG1-CD2 4.09Å; V201-L227 HydrophobicContact CG1-CG 4.31Å; V201-L227 HydrophobicContact CG2-CB 4.33Å; V201-L227 HydrophobicContact CG2-CD2 3.98Å; V201-I229 HydrophobicContact CG1-CD1 3.58Å; V201-I229 HydrophobicContact CG1-CG1 3.95Å; V201-L324 HydrophobicContact CG2-CD1 4.4Å
202Y95.4Very high82.1Confident1 Ų148.9 Ų48.90%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-92.1127.7170.9-176.3-101.5000110.4Y178 D180 V208 P217 N219 L220 L227 S228 I229Y178-Y202 CarbonylContact O-C 3.48Å; Y178-Y202 WeakPolarHBondContact O-CA 3.45Å; Y178-Y202 WeakPolarHBondContact O-CD2 3.45Å; D180-Y202 WeakPolarHBondContact CB-OH 3.3Å; D180-Y202 PolarHBondContact OD1-OH 3.32Å; Y202-V208 HydrophobicContact CD1-CG1 4.33Å; Y202-V208 HydrophobicContact CE1-CG1 3.88Å; Y202-P217 HydrophobicContact CE1-CG 4Å; Y202-P217 WeakPolarHBondContact OH-CG 3.2Å; Y202-N219 HydrophobicContact CE2-CB 4.04Å; Y202-L220 HydrophobicContact CD1-CB 3.98Å; Y202-L220 HydrophobicContact CD1-CD1 3.52Å; Y202-L220 HydrophobicContact CD1-CG 3.86Å; Y202-L220 HydrophobicContact CD2-CB 3.74Å; Y202-L220 HydrophobicContact CD2-CG 4.16Å; Y202-L220 HydrophobicContact CE1-CB 4.01Å; Y202-L220 HydrophobicContact CE1-CD1 3.92Å; Y202-L220 HydrophobicContact CE1-CG 4.32Å; Y202-L220 HydrophobicContact CE2-CB 3.81Å; Y202-L220 HydrophobicContact CG-CB 3.81Å; Y202-L220 HydrophobicContact CG-CD1 3.93Å; Y202-L220 HydrophobicContact CG-CG 3.73Å; Y202-L227 PolarHBondContact N-O 3.28Å; Y202-S228 CarbonylContact O-C 3.57Å; Y202-S228 VanDerWaalsContact O-CA 3.22Å; Y202-S228 WeakPolarHBondContact O-CA 3.32Å; Y202-I229 PolarHBondContact O-N 3.1Å
203V95.3Very high83.9Confident1 Ų146.2 Ų46.21%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-116.5118-176.1-175.20000108.8L99 L101 T138 F177 Y178 S179 V201L99-V203 HydrophobicContact CD1-CG2 4.03Å; L101-V203 HydrophobicContact CD2-CG1 3.53Å; T138-V203 HydrophobicContact CG2-CG1 4.36Å; F177-V203 HydrophobicContact CD1-CG2 4.16Å; Y178-V203 PolarHBondContact O-N 3.33Å; S179-V203 VanDerWaalsContact CA-O 3.3Å; S179-V203 WeakPolarHBondContact CA-O 3.28Å; V201-V203 HydrophobicContact CG1-CG2 4.13Å
204S94.5Very high85.7Confident5 Ų540.6 Ų40.64%0.03521%0.213CC..  trans-135163.2178.3540000110.3F206 I229 H230S204-F206 WeakPolarHBondContact CB-O 3.42Å; S204-F206 PolarHBondContact OG-O 3.02Å; S204-I229 PolarHBondContact N-O 3.37Å; S204-I229 VanDerWaalsContact N-O 3.09Å; S204-H230 VanDerWaalsContact O-CA 3.23Å; S204-H230 WeakPolarHBondContact O-CA 3.21Å
205H95.1Very high87.3Confident2 Ų244 Ų441%0.00923%0.227CC..SBendtrans-78.9-52.5166.6179.462000110D57 L101 G102 D103 T138 P139 G140 D141 H230 G231 H232D57-H205 IonicContact OD1-CE1 3.71Å; D57-H205 PolarHBondContact OD1-CE1 3.02Å; L101-H205 WeakPolarHBondContact O-CA 3.33Å; L101-H205 PolarHBondContact O-ND1 3.02Å; G102-H205 WeakPolarHBondContact CA-ND1 3.33Å; D103-H205 IonicContact OD1-CE1 2.83Å; D103-H205 IonicContact OD1-NE2 2.78Å; D103-H205 PolarHBondContact OD1-NE2 2.99Å; D103-H205 IonicContact OD2-CE1 3.05Å; D103-H205 IonicContact OD2-NE2 2.8Å; T138-H205 HydrophobicContact CG2-CB 4.38Å; P139-H205 WeakPolarHBondContact O-CB 3.45Å; G140-H205 WeakPolarHBondContact CA-CD2 3.28Å; D141-H205 IonicContact OD1-CD2 3.14Å; D141-H205 PolarHBondContact OD1-CD2 2.76Å; D141-H205 VanDerWaalsContact OD1-CD2 3.25Å; D141-H205 IonicContact OD1-NE2 3.63Å; D141-H205 PolarHBondContact OD1-NE2 2.94Å; H205-H230 WeakPolarHBondContact O-CB 3.25Å; H205-G231 CarbonylContact O-C 3.52Å; H205-G231 PolarHBondContact O-N 3.15Å; H205-G231 VanDerWaalsContact O-N 3.1Å; H205-H232 AromaticContact CD2-ND1 3.76Å; H205-H232 WeakPolarHBondContact NE2-CB 3.38Å; H205-H232 AromaticContact NE2-CG 3.63Å; H205-H232 AromaticContact NE2-ND1 3.18Å; H205-H232 PolarHBondContact NE2-ND1 3.17Å; H205-H232 VanDerWaalsContact NE2-ND1 3.18Å; H205-H232 WeakPolarHBondContact O-CB 3.3Å
206F94.2Very high88.7Confident66 Ų6642.1 Ų42.129%0.28921%0.212SC..SBendtrans-74.3146.6178.6-64.6-76.2000113.4D141 S204 H232D141-F206 HydrophobicContact CB-CZ 3.99Å; S204-F206 WeakPolarHBondContact CB-O 3.42Å; S204-F206 PolarHBondContact OG-O 3.02Å; F206-H232 AromaticContact CD1-CD2 3.72Å; F206-H232 AromaticContact CD1-CE1 3.92Å; F206-H232 AromaticContact CD1-CG 3.87Å; F206-H232 AromaticContact CD1-ND1 3.97Å; F206-H232 AromaticContact CD1-NE2 3.74Å; F206-H232 AromaticContact CE1-CE1 3.44Å; F206-H232 VanDerWaalsContact CE1-CE1 3.44Å; F206-H232 WeakPolarHBondContact CE1-CE1 3.49Å; F206-H232 AromaticContact CE1-ND1 3.67Å; F206-H232 AromaticContact CE1-NE2 3.64Å
207P94.3Very high89.6Confident7 Ų738.7 Ų38.75%0.04519%0.187CC..  trans-66.8136.8170.615.9-17.1000111.7Y213 L233P207-Y213 WeakPolarHBondContact CG-OH 3.28Å; P207-Y213 WeakPolarHBondContact O-CE2 3.11Å; P207-Y213 PolarHBondContact O-OH 3.2Å; P207-L233 HydrophobicContact CB-CD1 4.29Å; P207-L233 HydrophobicContact CG-CD1 3.85Å; P207-L233 HydrophobicContact CG-CD2 4.07Å; P207-L233 HydrophobicContact CG-CG 3.9Å
208V92.7Very high89.7Confident6 Ų639.2 Ų39.24%0.03619%0.189CC..SBendtrans-90.2-18.4171.4-62.40000112.6Y202 H215 F216 P217 L220 S228 L299Y202-V208 HydrophobicContact CD1-CG1 4.33Å; Y202-V208 HydrophobicContact CE1-CG1 3.88Å; V208-H215 WeakPolarHBondContact CA-O 3.49Å; V208-H215 WeakPolarHBondContact CB-O 3.18Å; V208-H215 CarbonylContact O-C 3.54Å; V208-H215 PolarHBondContact O-N 3.36Å; V208-H215 VanDerWaalsContact O-O 3.11Å; V208-F216 HydrophobicContact CB-CD1 4.3Å; V208-P217 HydrophobicContact CG1-CG 4.14Å; V208-L220 HydrophobicContact CB-CD1 3.95Å; V208-L220 HydrophobicContact CG1-CD1 3.74Å; V208-L220 HydrophobicContact CG2-CD1 3.75Å; V208-S228 WeakPolarHBondContact CG2-OG 2.99Å; V208-L299 HydrophobicContact CG2-CD2 4.14Å
209I91.4Very high89.4Confident0 Ų039.2 Ų39.20%019%0.19CC..BIsolated β-bridgetrans-133.8130.7173.2-59.7158000107.1V214 F216 I239 W241 L299I209-V214 HydrophobicContact CG1-CG1 4.33Å; I209-V214 HydrophobicContact CG2-CG2 4.28Å; I209-F216 HydrophobicContact CD1-CE1 3.89Å; I209-F216 HydrophobicContact CD1-CZ 4.24Å; I209-F216 HydrophobicContact CG1-CE1 3.65Å; I209-F216 HydrophobicContact CG1-CZ 4.22Å; I209-I239 HydrophobicContact CB-CD1 4.43Å; I209-I239 HydrophobicContact CG2-CB 4.37Å; I209-I239 HydrophobicContact CG2-CD1 3.93Å; I209-I239 HydrophobicContact CG2-CG2 3.69Å; I209-W241 HydrophobicContact CD1-CB 3.5Å; I209-W241 VanDerWaalsContact CD1-CB 3.5Å; I209-W241 HydrophobicContact CD1-CG 4.13Å; I209-L299 HydrophobicContact CD1-CD2 3.8Å; I209-L299 HydrophobicContact CD1-CG 4.33Å
210S83.5Confident89.1Confident8 Ų839.2 Ų39.26%0.05619%0.19CC..  trans-135.8179.5171.1820000109.6E212 Y213S210-E212 PolarHBondContact O-N 2.9Å; S210-E212 PolarHBondContact OG-N 3.44Å; S210-E212 VanDerWaalsContact OG-N 3.14Å; S210-Y213 PolarHBondContact N-O 3.38Å; S210-Y213 WeakPolarHBondContact OG-CD1 3.27Å; S210-Y213 WeakPolarHBondContact OG-CE1 3.29Å; S210-Y213 PolarHBondContact OG-N 3.48Å; S210-Y213 VanDerWaalsContact OG-N 3.16Å
211H74.8Confident88.7Confident125 Ų12539.6 Ų39.658%0.57919%0.192SC*.SBendtrans-64.6-23.5173.575.3-71.8000113.5W256H211-W256 HydrophobicContact CB-CH2 4.45Å; H211-W256 HydrophobicContact CB-CZ2 3.84Å
212E77.5Confident88.1Confident149 Ų14944.7 Ų44.770%0.69621%0.214SC*.SBendtrans-100.4-28.3-174.9-65.6171176.300112.4S210S210-E212 PolarHBondContact O-N 2.9Å; S210-E212 PolarHBondContact OG-N 3.44Å; S210-E212 VanDerWaalsContact OG-N 3.14Å
213Y84.2Confident87.7Confident95 Ų9544.7 Ų44.737%0.37322%0.215SC..  trans-149.6156.1-171.170.4-96.7000113.8P207 S210 H215P207-Y213 WeakPolarHBondContact CG-OH 3.28Å; P207-Y213 WeakPolarHBondContact O-CE2 3.11Å; P207-Y213 PolarHBondContact O-OH 3.2Å; S210-Y213 PolarHBondContact N-O 3.38Å; S210-Y213 WeakPolarHBondContact OG-CD1 3.27Å; S210-Y213 WeakPolarHBondContact OG-CE1 3.29Å; S210-Y213 PolarHBondContact OG-N 3.48Å; S210-Y213 VanDerWaalsContact OG-N 3.16Å; Y213-H215 HydrophobicContact CD2-CB 3.99Å; Y213-H215 HydrophobicContact CE2-CB 4.23Å
214V87.4Confident87.5Confident57 Ų5747.9 Ų47.935%0.34523%0.232SC..BIsolated β-bridgetrans-123.3115.1166.1178.70000107.2I209 F216 I254I209-V214 HydrophobicContact CG1-CG1 4.33Å; I209-V214 HydrophobicContact CG2-CG2 4.28Å; V214-F216 HydrophobicContact CG1-CD1 4.18Å; V214-F216 HydrophobicContact CG1-CD2 4.32Å; V214-F216 HydrophobicContact CG1-CE1 3.62Å; V214-F216 HydrophobicContact CG1-CE2 3.77Å; V214-F216 HydrophobicContact CG1-CZ 3.38Å; V214-I254 HydrophobicContact CG2-CD1 3.6Å
215H88.4Confident87.4Confident120 Ų12047.7 Ų47.756%0.55623%0.23SC*.  trans-131.4109.1177.6-176.375.6000109.9V208 Y213 P217V208-H215 WeakPolarHBondContact CA-O 3.49Å; V208-H215 WeakPolarHBondContact CB-O 3.18Å; V208-H215 CarbonylContact O-C 3.54Å; V208-H215 PolarHBondContact O-N 3.36Å; V208-H215 VanDerWaalsContact O-O 3.11Å; Y213-H215 HydrophobicContact CD2-CB 3.99Å; Y213-H215 HydrophobicContact CE2-CB 4.23Å; H215-P217 VanDerWaalsContact O-CD 3.23Å; H215-P217 WeakPolarHBondContact O-CD 3.37Å
216F89.6Confident87.4Confident20 Ų2047.9 Ų47.99%0.08823%0.232CC..  trans-98.7104.7177.9-60.7-33.5000110.8V208 I209 V214 L220 L221 W241 L278 L295 L299V208-F216 HydrophobicContact CB-CD1 4.3Å; I209-F216 HydrophobicContact CD1-CE1 3.89Å; I209-F216 HydrophobicContact CD1-CZ 4.24Å; I209-F216 HydrophobicContact CG1-CE1 3.65Å; I209-F216 HydrophobicContact CG1-CZ 4.22Å; V214-F216 HydrophobicContact CG1-CD1 4.18Å; V214-F216 HydrophobicContact CG1-CD2 4.32Å; V214-F216 HydrophobicContact CG1-CE1 3.62Å; V214-F216 HydrophobicContact CG1-CE2 3.77Å; V214-F216 HydrophobicContact CG1-CZ 3.38Å; F216-L220 HydrophobicContact CD1-CD1 4.36Å; F216-L221 HydrophobicContact CB-CD1 4.4Å; F216-L221 HydrophobicContact CB-CD2 3.72Å; F216-L221 HydrophobicContact CB-CG 4.05Å; F216-L221 HydrophobicContact CD2-CD2 4.3Å; F216-L221 HydrophobicContact CG-CD2 4.38Å; F216-W241 HydrophobicContact CE2-CD2 4.15Å; F216-W241 AromaticContact CE2-CE2 3.8Å; F216-W241 HydrophobicContact CE2-CE3 4.39Å; F216-W241 HydrophobicContact CE2-CH2 4.06Å; F216-W241 AromaticContact CE2-CZ2 3.77Å; F216-W241 HydrophobicContact CE2-CZ2 3.77Å; F216-W241 HydrophobicContact CE2-CZ3 4.37Å; F216-W241 AromaticContact CZ-CD2 3.76Å; F216-W241 HydrophobicContact CZ-CD2 3.76Å; F216-W241 AromaticContact CZ-CE2 3.77Å; F216-W241 HydrophobicContact CZ-CE3 4.18Å; F216-W241 HydrophobicContact CZ-CG 4.05Å; F216-W241 HydrophobicContact CZ-CZ2 4.22Å; F216-W241 AromaticContact CZ-NE1 3.98Å; F216-L278 HydrophobicContact CB-CD2 4.29Å; F216-L278 HydrophobicContact CD1-CD2 4.25Å; F216-L278 HydrophobicContact CD2-CD1 4.03Å; F216-L278 HydrophobicContact CD2-CD2 3.57Å; F216-L278 HydrophobicContact CD2-CG 4.44Å; F216-L278 HydrophobicContact CE1-CD2 4.48Å; F216-L278 HydrophobicContact CE2-CD1 3.67Å; F216-L278 HydrophobicContact CE2-CD2 3.87Å; F216-L278 HydrophobicContact CE2-CG 4.46Å; F216-L278 HydrophobicContact CG-CD2 3.8Å; F216-L278 HydrophobicContact CZ-CD1 4.34Å; F216-L278 HydrophobicContact CZ-CD2 4.32Å; F216-L295 HydrophobicContact CD2-CD1 3.66Å; F216-L295 HydrophobicContact CD2-CD2 4.49Å; F216-L295 HydrophobicContact CE2-CD1 4.27Å; F216-L299 HydrophobicContact CD1-CD2 4.27Å; F216-L299 HydrophobicContact CE1-CD2 3.66Å; F216-L299 HydrophobicContact CZ-CD2 4.23Å
217P86.7Confident87.5Confident21 Ų2144.8 Ų44.814%0.13622%0.218CC..  trans-63.8150.7176.525.7-32.8000110.3Y202 V208 H215 N219 L220 L221Y202-P217 HydrophobicContact CE1-CG 4Å; Y202-P217 WeakPolarHBondContact OH-CG 3.2Å; V208-P217 HydrophobicContact CG1-CG 4.14Å; H215-P217 VanDerWaalsContact O-CD 3.23Å; H215-P217 WeakPolarHBondContact O-CD 3.37Å; P217-N219 PolarHBondContact O-N 3.47Å; P217-L220 HydrophobicContact CG-CB 3.95Å; P217-L220 WeakPolarHBondContact O-CB 3.42Å; P217-L220 PolarHBondContact O-N 3.11Å; P217-L221 PolarHBondContact O-N 3.42Å
218L82.4Confident87.6Confident97 Ų9744.4 Ų44.451%0.50822%0.216SC..Hα-helixtrans-57.3-30.1-175.3-176.161.7000113.1L221 K222L218-L221 PolarHBondContact O-N 3.36Å; L218-K222 HydrophobicContact CD1-CD 4.47Å; L218-K222 HydrophobicContact CD1-CG 4.4Å; L218-K222 HydrophobicContact CG-CD 4.06Å; L218-K222 HydrophobicContact CG-CG 4.42Å; L218-K222 WeakPolarHBondContact O-CB 3.11Å; L218-K222 VanDerWaalsContact O-CG 3.26Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 3.25Å
219N83.8Confident87.9Confident32 Ų3244.1 Ų44.117%0.17121%0.214CC..Hα-helixtrans-68.1-39177.4-65.3-29.3000112.2D180 R182 Y202 P217 K222 A223D180-N219 PolarHBondContact OD1-ND2 3.34Å; R182-N219 PolarHBondContact NH2-ND2 2.73Å; R182-N219 PolarHBondContact NH2-OD1 2.97Å; Y202-N219 HydrophobicContact CE2-CB 4.04Å; P217-N219 PolarHBondContact O-N 3.47Å; N219-K222 PolarHBondContact O-N 3.26Å; N219-A223 WeakPolarHBondContact O-CB 3.3Å; N219-A223 PolarHBondContact O-N 3.06Å
220L89Confident88.1Confident0 Ų044.1 Ų44.10%021%0.214CC..Hα-helixtrans-63-46.7173.9-173.5165.4000110Y202 V208 F216 P217 K222 A223 N224 A225 L278 L299Y202-L220 HydrophobicContact CD1-CB 3.98Å; Y202-L220 HydrophobicContact CD1-CD1 3.52Å; Y202-L220 HydrophobicContact CD1-CG 3.86Å; Y202-L220 HydrophobicContact CD2-CB 3.74Å; Y202-L220 HydrophobicContact CD2-CG 4.16Å; Y202-L220 HydrophobicContact CE1-CB 4.01Å; Y202-L220 HydrophobicContact CE1-CD1 3.92Å; Y202-L220 HydrophobicContact CE1-CG 4.32Å; Y202-L220 HydrophobicContact CE2-CB 3.81Å; Y202-L220 HydrophobicContact CG-CB 3.81Å; Y202-L220 HydrophobicContact CG-CD1 3.93Å; Y202-L220 HydrophobicContact CG-CG 3.73Å; V208-L220 HydrophobicContact CB-CD1 3.95Å; V208-L220 HydrophobicContact CG1-CD1 3.74Å; V208-L220 HydrophobicContact CG2-CD1 3.75Å; F216-L220 HydrophobicContact CD1-CD1 4.36Å; P217-L220 HydrophobicContact CG-CB 3.95Å; P217-L220 WeakPolarHBondContact O-CB 3.42Å; P217-L220 PolarHBondContact O-N 3.11Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.84Å; L220-A223 WeakPolarHBondContact O-CB 3.46Å; L220-A223 PolarHBondContact O-N 2.91Å; L220-A223 VanDerWaalsContact O-N 3.12Å; L220-N224 PolarHBondContact O-N 2.85Å; L220-A225 HydrophobicContact CD2-CB 4.33Å; L220-A225 HydrophobicContact CG-CB 4.31Å; L220-L278 HydrophobicContact CD2-CD2 3.15Å; L220-L278 HydrophobicContact CD2-CG 4.41Å; L220-L299 HydrophobicContact CD1-CD2 4.09Å; L220-L299 HydrophobicContact CD2-CD2 4.31Å
221L86Confident88.7Confident19 Ų1943.8 Ų43.810%0.09921%0.212CC..Hα-helixtrans-59.9-43.5178.1-60.8175.3000111.9F216 P217 L218 A223 N224 L278 L280 L295F216-L221 HydrophobicContact CB-CD1 4.4Å; F216-L221 HydrophobicContact CB-CD2 3.72Å; F216-L221 HydrophobicContact CB-CG 4.05Å; F216-L221 HydrophobicContact CD2-CD2 4.3Å; F216-L221 HydrophobicContact CG-CD2 4.38Å; P217-L221 PolarHBondContact O-N 3.42Å; L218-L221 PolarHBondContact O-N 3.36Å; L221-A223 VanDerWaalsContact C-N 3.28Å; L221-A223 PolarHBondContact O-N 3.3Å; L221-N224 PolarHBondContact O-N 3.28Å; L221-L278 HydrophobicContact CD2-CD2 3.48Å; L221-L278 VanDerWaalsContact CD2-CD2 3.48Å; L221-L278 HydrophobicContact CD2-CG 4.11Å; L221-L280 HydrophobicContact CD1-CD1 4.12Å; L221-L295 HydrophobicContact CD1-CD2 4.29Å; L221-L295 HydrophobicContact CD2-CD2 3.31Å; L221-L295 HydrophobicContact CG-CD2 4.44Å
222K84.7Confident89.6Confident107 Ų10739.5 Ų39.547%0.46519%0.192SC..Hα-helixtrans-68.8-24.7177.2-75.5174.7176.9175.20113.5I190 L218 N219 L220 N224I190-K222 HydrophobicContact CD1-CB 4.41Å; L218-K222 HydrophobicContact CD1-CD 4.47Å; L218-K222 HydrophobicContact CD1-CG 4.4Å; L218-K222 HydrophobicContact CG-CD 4.06Å; L218-K222 HydrophobicContact CG-CG 4.42Å; L218-K222 WeakPolarHBondContact O-CB 3.11Å; L218-K222 VanDerWaalsContact O-CG 3.26Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 3.25Å; N219-K222 PolarHBondContact O-N 3.26Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.84Å; K222-N224 PolarHBondContact O-N 2.91Å
223A87.2Confident90.4Very high2 Ų234 Ų342%0.01717%0.167CC..Hα-helixtrans-76-12.5177.700000112.9Y178 N200 N219 L220 L221 A225Y178-A223 HydrophobicContact CD1-CB 3.93Å; Y178-A223 HydrophobicContact CD2-CB 3.56Å; Y178-A223 HydrophobicContact CE1-CB 4.3Å; Y178-A223 HydrophobicContact CE2-CB 3.95Å; Y178-A223 HydrophobicContact CG-CB 3.54Å; N200-A223 WeakPolarHBondContact CB-O 3.38Å; N200-A223 PolarHBondContact ND2-O 2.93Å; N219-A223 WeakPolarHBondContact O-CB 3.3Å; N219-A223 PolarHBondContact O-N 3.06Å; L220-A223 WeakPolarHBondContact O-CB 3.46Å; L220-A223 PolarHBondContact O-N 2.91Å; L220-A223 VanDerWaalsContact O-N 3.12Å; L221-A223 VanDerWaalsContact C-N 3.28Å; L221-A223 PolarHBondContact O-N 3.3Å; A223-A225 HydrophobicContact CB-CB 4.36Å; A223-A225 PolarHBondContact O-N 2.98Å
224N89.7Confident90.9Very high68 Ų6830.9 Ų30.936%0.36416%0.156SC..THydrogen-bonded Turntrans46.348.1-168.4-65.2-38.7000110.5N200 L220 L221 K222 S277N200-N224 PolarHBondContact ND2-O 3.13Å; L220-N224 PolarHBondContact O-N 2.85Å; L221-N224 PolarHBondContact O-N 3.28Å; K222-N224 PolarHBondContact O-N 2.91Å; N224-S277 VanDerWaalsContact O-CB 3.3Å; N224-S277 WeakPolarHBondContact O-CB 3Å
225A93.2Very high91.1Very high0 Ų030.9 Ų30.90%015%0.15CC..  trans-69.5140.1-173.700000111.1N200 L220 A223 L278 L299N200-A225 WeakPolarHBondContact O-CA 3.29Å; L220-A225 HydrophobicContact CD2-CB 4.33Å; L220-A225 HydrophobicContact CG-CB 4.31Å; A223-A225 HydrophobicContact CB-CB 4.36Å; A223-A225 PolarHBondContact O-N 2.98Å; A225-L278 WeakPolarHBondContact O-CB 3.11Å; A225-L278 PolarHBondContact O-N 2.99Å; A225-L299 HydrophobicContact CB-CD1 4.31Å
226S94.5Very high91.4Very high7 Ų725.2 Ų25.25%0.04912%0.124CC..SBendtrans-106.5-19.3169.847.90000112N200 D276 I300N200-S226 PolarHBondContact O-N 3.35Å; N200-S226 VanDerWaalsContact O-N 3.08Å; S226-D276 VanDerWaalsContact CB-O 3.25Å; S226-D276 WeakPolarHBondContact CB-O 3.43Å; S226-I300 PolarHBondContact O-N 3.2Å
227L97.4Very high91.7Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-127.1140175.5-177.367.3000110.2N200 V201 Y202 I229 L274 I300 I302 L322 L324 I330N200-L227 PolarHBondContact O-N 3.07Å; V201-L227 CarbonylContact C-O 3.27Å; V201-L227 WeakPolarHBondContact CA-O 3.49Å; V201-L227 HydrophobicContact CG1-CD2 4.09Å; V201-L227 HydrophobicContact CG1-CG 4.31Å; V201-L227 HydrophobicContact CG2-CB 4.33Å; V201-L227 HydrophobicContact CG2-CD2 3.98Å; Y202-L227 PolarHBondContact N-O 3.28Å; L227-I229 HydrophobicContact CD2-CD1 4.05Å; L227-I229 HydrophobicContact CD2-CG1 4.19Å; L227-I229 HydrophobicContact CG-CG1 4.14Å; L227-L274 HydrophobicContact CB-CD1 4.33Å; L227-I300 CarbonylContact C-O 3.58Å; L227-I300 WeakPolarHBondContact CA-O 3.49Å; L227-I300 HydrophobicContact CD1-CB 4.13Å; L227-I300 HydrophobicContact CD1-CG2 4.1Å; L227-I302 HydrophobicContact CD1-CD1 3.86Å; L227-I302 HydrophobicContact CD1-CG1 4.07Å; L227-L322 HydrophobicContact CD2-CD2 4Å; L227-L324 HydrophobicContact CD2-CD2 4.18Å; L227-I330 HydrophobicContact CD1-CD1 4.28Å; L227-I330 HydrophobicContact CD2-CD1 3.86Å
228S96.4Very high92.1Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-125.4139.5169.2166.30000109.7Y202 V208 I300 S301 I302Y202-S228 CarbonylContact O-C 3.57Å; Y202-S228 VanDerWaalsContact O-CA 3.22Å; Y202-S228 WeakPolarHBondContact O-CA 3.32Å; V208-S228 WeakPolarHBondContact CG2-OG 2.99Å; S228-I300 PolarHBondContact N-O 3.29Å; S228-S301 CarbonylContact O-C 3.6Å; S228-S301 VanDerWaalsContact O-CA 3.31Å; S228-S301 WeakPolarHBondContact O-CA 3.31Å; S228-I302 PolarHBondContact O-N 2.94Å
229I97.6Very high92.7Very high0 Ų018.8 Ų18.80%09%0.089CC..EExtended strand (participates in β ladder)trans-130.5132.2-179.9-52173.7000108.6L54 L99 L101 V201 Y202 S204 L227 I302 V304 L322L54-I229 HydrophobicContact CD1-CD1 4.34Å; L54-I229 HydrophobicContact CD1-CG2 3.8Å; L54-I229 HydrophobicContact CD2-CD1 4.17Å; L54-I229 HydrophobicContact CD2-CG2 4.28Å; L99-I229 HydrophobicContact CD1-CD1 4.08Å; L101-I229 HydrophobicContact CD1-CG2 3.67Å; L101-I229 HydrophobicContact CD2-CG2 3.93Å; L101-I229 HydrophobicContact CG-CG2 4.48Å; V201-I229 HydrophobicContact CG1-CD1 3.58Å; V201-I229 HydrophobicContact CG1-CG1 3.95Å; Y202-I229 PolarHBondContact O-N 3.1Å; S204-I229 PolarHBondContact N-O 3.37Å; S204-I229 VanDerWaalsContact N-O 3.09Å; L227-I229 HydrophobicContact CD2-CD1 4.05Å; L227-I229 HydrophobicContact CD2-CG1 4.19Å; L227-I229 HydrophobicContact CG-CG1 4.14Å; I229-I302 WeakPolarHBondContact CA-O 3.45Å; I229-V304 HydrophobicContact CG2-CG2 3.89Å; I229-L322 HydrophobicContact CD1-CD2 3.55Å
230H96.6Very high93.3Very high0 Ų018.7 Ų18.70%09%0.088CC..EExtended strand (participates in β ladder)trans-144.7161.6-176.463.5-88.4000114.4S204 H205 S301 I302 G303 V304S204-H230 VanDerWaalsContact O-CA 3.23Å; S204-H230 WeakPolarHBondContact O-CA 3.21Å; H205-H230 WeakPolarHBondContact O-CB 3.25Å; H230-S301 PolarHBondContact CE1-OG 2.88Å; H230-S301 VanDerWaalsContact CE1-OG 3.25Å; H230-S301 PolarHBondContact ND1-OG 3.1Å; H230-I302 PolarHBondContact CE1-O 3.35Å; H230-I302 PolarHBondContact N-O 2.79Å; H230-I302 PolarHBondContact ND1-O 3.45Å; H230-G303 PolarHBondContact CE1-N 3.02Å; H230-G303 VanDerWaalsContact NE2-CA 3.3Å; H230-G303 WeakPolarHBondContact NE2-CA 3.45Å; H230-V304 PolarHBondContact O-N 2.87Å
231G95.8Very high93.5Very high0 Ų019 Ų190%09%0.089CC..  trans-107.8-131.8173.200000110.9H205 L233H205-G231 CarbonylContact O-C 3.52Å; H205-G231 PolarHBondContact O-N 3.15Å; H205-G231 VanDerWaalsContact O-N 3.1Å; G231-L233 PolarHBondContact O-N 3.36Å
232H94.4Very high93.8Very high35 Ų3522.3 Ų22.316%0.16210%0.103CC..SBendtrans68.7-40.3168.5-172.970.4000116.2D57 D141 E147 H205 F206 H234D57-H232 PolarHBondContact OD1-N 3.28Å; D141-H232 IonicContact OD1-CE1 3.66Å; D141-H232 IonicContact OD1-ND1 2.93Å; D141-H232 PolarHBondContact OD1-ND1 3.46Å; E147-H232 IonicContact OE2-CE1 3.44Å; E147-H232 PolarHBondContact OE2-CE1 2.96Å; E147-H232 VanDerWaalsContact OE2-CE1 3.22Å; E147-H232 IonicContact OE2-NE2 3.44Å; H205-H232 AromaticContact CD2-ND1 3.76Å; H205-H232 WeakPolarHBondContact NE2-CB 3.38Å; H205-H232 AromaticContact NE2-CG 3.63Å; H205-H232 AromaticContact NE2-ND1 3.18Å; H205-H232 PolarHBondContact NE2-ND1 3.17Å; H205-H232 VanDerWaalsContact NE2-ND1 3.18Å; H205-H232 WeakPolarHBondContact O-CB 3.3Å; F206-H232 AromaticContact CD1-CD2 3.72Å; F206-H232 AromaticContact CD1-CE1 3.92Å; F206-H232 AromaticContact CD1-CG 3.87Å; F206-H232 AromaticContact CD1-ND1 3.97Å; F206-H232 AromaticContact CD1-NE2 3.74Å; F206-H232 AromaticContact CE1-CE1 3.44Å; F206-H232 VanDerWaalsContact CE1-CE1 3.44Å; F206-H232 WeakPolarHBondContact CE1-CE1 3.49Å; F206-H232 AromaticContact CE1-ND1 3.67Å; F206-H232 AromaticContact CE1-NE2 3.64Å; H232-H234 VanDerWaalsContact C-N 3.27Å; H232-H234 PolarHBondContact O-CD2 3.43Å; H232-H234 PolarHBondContact O-N 2.95Å; H232-H234 PolarHBondContact O-NE2 3.45Å
233L93.4Very high94Very high35 Ų3518.2 Ų18.218%0.1839%0.086CC..SBendtrans-82.9-2.7-177.8-62.9-178.6000113.8P207 G231 R235 Q237P207-L233 HydrophobicContact CB-CD1 4.29Å; P207-L233 HydrophobicContact CG-CD1 3.85Å; P207-L233 HydrophobicContact CG-CD2 4.07Å; P207-L233 HydrophobicContact CG-CG 3.9Å; G231-L233 PolarHBondContact O-N 3.36Å; L233-R235 HydrophobicContact CB-CG 4.14Å; L233-R235 WeakPolarHBondContact O-CG 3.34Å; L233-R235 PolarHBondContact O-N 3.05Å; L233-Q237 VanDerWaalsContact CD1-NE2 3.32Å
234H93.9Very high93.8Very high28 Ų2820.9 Ų20.913%0.1310%0.102CC..SBendtrans55.913.6-178.2-51.9-82.4000116D57 H59 H232 S306 Y313D57-H234 IonicContact OD2-ND1 3.19Å; H59-H234 AromaticContact NE2-CE1 3.52Å; H232-H234 VanDerWaalsContact C-N 3.27Å; H232-H234 PolarHBondContact O-CD2 3.43Å; H232-H234 PolarHBondContact O-N 2.95Å; H232-H234 PolarHBondContact O-NE2 3.45Å; H234-S306 VanDerWaalsContact CA-OG 3.27Å; H234-S306 WeakPolarHBondContact CA-OG 3.49Å; H234-S306 VanDerWaalsContact CB-OG 3.26Å; H234-S306 WeakPolarHBondContact CB-OG 3.36Å; H234-S306 PolarHBondContact ND1-OG 3.1Å; H234-Y313 HydrophobicContact CB-CD2 3.26Å; H234-Y313 HydrophobicContact CB-CE2 3.66Å; H234-Y313 HydrophobicContact CB-CG 3.83Å; H234-Y313 AromaticContact CD2-CD2 3.96Å; H234-Y313 AromaticContact CD2-CE2 3.58Å; H234-Y313 AromaticContact CG-CD2 3.53Å; H234-Y313 AromaticContact CG-CE2 3.65Å
235R93.2Very high93.1Very high58 Ų5823 Ų2322%0.21911%0.108CC..SBendtrans-141.3147.5-173.968-160.8176.6-150.8-3112.8L233 P260 I316L233-R235 HydrophobicContact CB-CG 4.14Å; L233-R235 WeakPolarHBondContact O-CG 3.34Å; L233-R235 PolarHBondContact O-N 3.05Å; R235-P260 HydrophobicContact CG-CB 4.26Å; R235-I316 HydrophobicContact CB-CD1 3.94Å
236S94.9Very high91.9Very high1 Ų129.9 Ų29.91%0.00715%0.145CC..  trans-74.7131.4174.6-170.50000111.1Q258 Q261 G303 Y332 V334S236-Q258 PolarHBondContact OG-NE2 3.02Å; S236-Q258 PolarHBondContact OG-OE1 3Å; S236-Q261 PolarHBondContact O-N 2.95Å; S236-Q261 VanDerWaalsContact O-N 3.17Å; S236-G303 WeakPolarHBondContact CA-O 3.48Å; S236-Y332 PolarHBondContact OG-OH 2.93Å; S236-V334 WeakPolarHBondContact OG-CG2 3.16Å
237Q94.9Very high90.1Very high2 Ų235.4 Ų35.41%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-155.9152.8174.260.3-178.641.900111.5L233 W256 P260 I302 G303L233-Q237 VanDerWaalsContact CD1-NE2 3.32Å; Q237-W256 HydrophobicContact CB-CZ3 4Å; Q237-W256 HydrophobicContact CG-CZ3 4.5Å; Q237-P260 HydrophobicContact CB-CG 4.44Å; Q237-I302 WeakPolarHBondContact O-CA 3.47Å; Q237-G303 PolarHBondContact N-O 2.84Å; Q237-G303 VanDerWaalsContact N-O 3.14Å; Q237-G303 PolarHBondContact O-N 2.98Å
238I95.9Very high88Confident0 Ų043.9 Ų43.90%021%0.208CC..EExtended strand (participates in β ladder)trans-135.3119.4175.2-51168.7000108.8I257 Q258 F270 F272 I300 S301 I302 Y332I238-I257 HydrophobicContact CB-CB 3.97Å; I238-I257 HydrophobicContact CB-CG2 4.32Å; I238-I257 HydrophobicContact CD1-CG2 4.34Å; I238-I257 HydrophobicContact CG2-CB 3.8Å; I238-I257 HydrophobicContact CG2-CD1 3.96Å; I238-I257 HydrophobicContact CG2-CG1 4.36Å; I238-I257 HydrophobicContact CG2-CG2 4.16Å; I238-I257 PolarHBondContact O-N 3.44Å; I238-Q258 HydrophobicContact CB-CB 3.9Å; I238-Q258 HydrophobicContact CD1-CB 3.96Å; I238-Q258 HydrophobicContact CG1-CB 3.86Å; I238-Q258 PolarHBondContact N-O 3.04Å; I238-Q258 PolarHBondContact O-N 2.96Å; I238-Q258 VanDerWaalsContact O-N 3.1Å; I238-F270 HydrophobicContact CD1-CB 3.66Å; I238-F270 HydrophobicContact CD1-CD1 4.23Å; I238-F270 HydrophobicContact CD1-CD2 4Å; I238-F270 HydrophobicContact CD1-CG 3.7Å; I238-F272 HydrophobicContact CD1-CE1 4.17Å; I238-F272 HydrophobicContact CG2-CE1 4.31Å; I238-I300 HydrophobicContact CG2-CG2 3.8Å; I238-S301 WeakPolarHBondContact CA-O 3.26Å; I238-I302 HydrophobicContact CG2-CG1 4.48Å; I238-Y332 HydrophobicContact CD1-CD1 3.75Å; I238-Y332 HydrophobicContact CD1-CE1 4.4Å; I238-Y332 HydrophobicContact CG1-CD1 4.16Å; I238-Y332 HydrophobicContact CG1-CE1 4.41Å
239I95.3Very high85.8Confident0 Ų049.3 Ų49.30%024%0.237CC..EExtended strand (participates in β ladder)trans-115.9131.6179.9-55.4172.4000109I209 I254 W256 I300 S301I209-I239 HydrophobicContact CB-CD1 4.43Å; I209-I239 HydrophobicContact CG2-CB 4.37Å; I209-I239 HydrophobicContact CG2-CD1 3.93Å; I209-I239 HydrophobicContact CG2-CG2 3.69Å; I239-I254 HydrophobicContact CG2-CG2 3.48Å; I239-I254 VanDerWaalsContact CG2-CG2 3.48Å; I239-W256 HydrophobicContact CD1-CE3 4.2Å; I239-W256 HydrophobicContact CD1-CH2 3.38Å; I239-W256 HydrophobicContact CD1-CZ2 3.98Å; I239-W256 HydrophobicContact CD1-CZ3 3.51Å; I239-W256 HydrophobicContact CG1-CD2 4.14Å; I239-W256 HydrophobicContact CG1-CE3 3.53Å; I239-W256 HydrophobicContact CG1-CH2 3.71Å; I239-W256 HydrophobicContact CG1-CZ2 4.25Å; I239-W256 HydrophobicContact CG1-CZ3 3.3Å; I239-I300 CarbonylContact O-C 3.35Å; I239-I300 WeakPolarHBondContact O-CA 3.41Å; I239-S301 PolarHBondContact N-O 2.98Å; I239-S301 PolarHBondContact O-N 2.73Å
240H94.9Very high83.6Confident31 Ų3155.7 Ų55.714%0.14428%0.276CS..EExtended strand (participates in β ladder)trans-105.4112.6169.5-175.7-168.5000109.2E255 I257 E298H240-E255 HydrophobicContact CB-CB 4.41Å; H240-E255 PolarHBondContact N-O 3.5Å; H240-E255 PolarHBondContact O-N 3.18Å; H240-I257 HydrophobicContact CB-CD1 3.91Å; H240-I257 HydrophobicContact CB-CG1 4.17Å; H240-E298 IonicContact CE1-OE2 3.74Å; H240-E298 IonicContact NE2-OE2 3.42Å; H240-E298 PolarHBondContact NE2-OE2 2.83Å
241W93.8Very high81.8Confident6 Ų663.5 Ų63.52%0.02331%0.312CS..EExtended strand (participates in β ladder)trans-96.8133.5171.4178.397.8000109.8I209 F216 N243 S252 N253 L278 L295 G297 E298 L299I209-W241 HydrophobicContact CD1-CB 3.5Å; I209-W241 VanDerWaalsContact CD1-CB 3.5Å; I209-W241 HydrophobicContact CD1-CG 4.13Å; F216-W241 HydrophobicContact CE2-CD2 4.15Å; F216-W241 AromaticContact CE2-CE2 3.8Å; F216-W241 HydrophobicContact CE2-CE3 4.39Å; F216-W241 HydrophobicContact CE2-CH2 4.06Å; F216-W241 AromaticContact CE2-CZ2 3.77Å; F216-W241 HydrophobicContact CE2-CZ2 3.77Å; F216-W241 HydrophobicContact CE2-CZ3 4.37Å; F216-W241 AromaticContact CZ-CD2 3.76Å; F216-W241 HydrophobicContact CZ-CD2 3.76Å; F216-W241 AromaticContact CZ-CE2 3.77Å; F216-W241 HydrophobicContact CZ-CE3 4.18Å; F216-W241 HydrophobicContact CZ-CG 4.05Å; F216-W241 HydrophobicContact CZ-CZ2 4.22Å; F216-W241 AromaticContact CZ-NE1 3.98Å; W241-N243 HydrophobicContact CH2-CB 3.48Å; W241-N243 VanDerWaalsContact CH2-CB 3.48Å; W241-N243 HydrophobicContact CZ2-CB 3.6Å; W241-N243 HydrophobicContact CZ3-CB 4.14Å; W241-S252 PolarHBondContact NE1-OG 3.2Å; W241-N253 WeakPolarHBondContact CA-O 3.5Å; W241-L278 HydrophobicContact CE3-CD1 3.99Å; W241-L278 HydrophobicContact CH2-CD1 3.49Å; W241-L278 VanDerWaalsContact CH2-CD1 3.49Å; W241-L278 HydrophobicContact CZ2-CD1 4.46Å; W241-L278 HydrophobicContact CZ3-CD1 3.21Å; W241-L295 HydrophobicContact CH2-CB 4.26Å; W241-G297 WeakPolarHBondContact CZ3-O 3.23Å; W241-E298 CarbonylContact O-C 3.52Å; W241-E298 VanDerWaalsContact O-CA 3.3Å; W241-E298 WeakPolarHBondContact O-CA 3.41Å; W241-L299 HydrophobicContact CE3-CB 4.31Å; W241-L299 PolarHBondContact N-O 3.04Å; W241-L299 PolarHBondContact O-N 3.48Å
242K91.7Very high80.6Confident89 Ų8965 Ų6539%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-141.1133.8178.5177.6166.3-175.6153.80111.4N253 G297 E298K242-N253 PolarHBondContact N-O 3.25Å; K242-N253 PolarHBondContact O-N 3.5Å; K242-G297 WeakPolarHBondContact CA-O 3.47Å; K242-E298 HydrophobicContact CB-CG 4.13Å; K242-E298 HydrophobicContact CD-CG 4.04Å; K242-E298 WeakPolarHBondContact CD-OE1 3.32Å; K242-E298 WeakPolarHBondContact CE-OE1 3.45Å; K242-E298 HydrophobicContact CG-CG 3.86Å; K242-E298 IonicContact NZ-OE1 2.71Å; K242-E298 PolarHBondContact NZ-OE1 3.02Å
243N89.7Confident80.1Confident21 Ų2167.9 Ų67.911%0.11234%0.339CS..EExtended strand (participates in β ladder)trans-142.4140171.9-167.114.5000111.8W241 L295 G297W241-N243 HydrophobicContact CH2-CB 3.48Å; W241-N243 VanDerWaalsContact CH2-CB 3.48Å; W241-N243 HydrophobicContact CZ2-CB 3.6Å; W241-N243 HydrophobicContact CZ3-CB 4.14Å; N243-L295 PolarHBondContact ND2-O 3.41Å; N243-G297 PolarHBondContact N-O 3.38Å; N243-G297 PolarHBondContact O-N 3.14Å
244T83.3Confident79.8Confident58 Ų5869 Ų6936%0.35635%0.345SS..  trans-93.9156.1179.482.40000111.7N246 F247T244-N246 PolarHBondContact O-N 3.4Å; T244-F247 HydrophobicContact CG2-CD2 4.08Å; T244-F247 HydrophobicContact CG2-CE2 4.23Å; T244-F247 WeakPolarHBondContact OG1-CD2 3.32Å; T244-F247 PolarHBondContact OG1-N 2.97Å
245K75.1Confident79.7Confident113 Ų11372.8 Ų72.849%0.49136%0.363SS..SBendtrans-63.5-27.4178.7-166.9177.6180-178.70113K294 Y296K245-K294 WeakPolarHBondContact O-CE 3.46Å; K245-K294 PolarHBondContact O-NZ 3.17Å; K245-Y296 HydrophobicContact CB-CD2 4.25Å; K245-Y296 HydrophobicContact CB-CG 4.32Å
246N67.8Low79.5Confident144 Ų14473.8 Ų73.877%0.7737%0.367SS*.SBendtrans-92.5-19.1-171-68.3-7.3000114T244 E248T244-N246 PolarHBondContact O-N 3.4Å; N246-E248 PolarHBondContact O-N 2.79Å
247F55.5Low79.2Confident122 Ų12276.4 Ų76.454%0.53538%0.38SS..  trans-69.1108.4176.1-82.9-66.9000109.9T244 K294T244-F247 HydrophobicContact CG2-CD2 4.08Å; T244-F247 HydrophobicContact CG2-CE2 4.23Å; T244-F247 WeakPolarHBondContact OG1-CD2 3.32Å; T244-F247 PolarHBondContact OG1-N 2.97Å; F247-K294 WeakPolarHBondContact O-CE 3.44Å; F247-K294 PolarHBondContact O-NZ 2.95Å
248E54Low79Confident178 Ų17876.8 Ų76.883%0.83238%0.382SS*.  trans-64.8-30.7165.2-68.6-173.2161.500110.7N246N246-E248 PolarHBondContact O-N 2.79Å
249N50.2Low78.7Confident115 Ų11581.3 Ų81.362%0.61541%0.409SS*.SBendtrans-79.1125.7179-76.7-10.5000111.3Q251N249-Q251 PolarHBondContact O-N 2.87Å
250T51.2Low78.3Confident133 Ų13382.9 Ų82.982%0.81642%0.42SS*.  trans-53.511.1176.6460000116.6S252T250-S252 VanDerWaalsContact C-N 3.28Å; T250-S252 PolarHBondContact O-N 3.1Å
251Q59.7Low77.8Confident164 Ų16482.8 Ų82.877%0.76642%0.419SS*.  trans-84.577.7176.1-76.1-177.5-24.800109.4N249 N253N249-Q251 PolarHBondContact O-N 2.87Å; Q251-N253 PolarHBondContact O-N 3.03Å
252S71Confident77.1Confident33 Ų3388.8 Ų88.823%0.23145%0.451CS..  trans-55133.2155.651.90000109W241 T250W241-S252 PolarHBondContact NE1-OG 3.2Å; T250-S252 VanDerWaalsContact C-N 3.28Å; T250-S252 PolarHBondContact O-N 3.1Å
253N82.8Confident76.4Confident94 Ų9489.1 Ų89.150%0.50347%0.465SS..EExtended strand (participates in β ladder)trans-77.5124.8171.1-170.418.8000108.6W241 K242 Q251W241-N253 WeakPolarHBondContact CA-O 3.5Å; K242-N253 PolarHBondContact N-O 3.25Å; K242-N253 PolarHBondContact O-N 3.5Å; Q251-N253 PolarHBondContact O-N 3.03Å
254I87.9Confident76.1Confident60 Ų6091.5 Ų91.531%0.30848%0.483SS..EExtended strand (participates in β ladder)trans-116.2110.2175.2-58.9179.2000106.5V214 I239V214-I254 HydrophobicContact CG2-CD1 3.6Å; I239-I254 HydrophobicContact CG2-CG2 3.48Å; I239-I254 VanDerWaalsContact CG2-CG2 3.48Å
255E90.7Very high76.2Confident106 Ų10690.1 Ų90.150%0.49547%0.473SS..EExtended strand (participates in β ladder)trans-109.7134.5178.9-176.6176.217300109.8H240H240-E255 HydrophobicContact CB-CB 4.41Å; H240-E255 PolarHBondContact N-O 3.5Å; H240-E255 PolarHBondContact O-N 3.18Å
256W89.3Confident76.8Confident80 Ų8086.3 Ų86.330%0.30346%0.461SS..EExtended strand (participates in β ladder)trans-88.6108.9172.7-68.291.9000109H211 Q237 I239 T259 P260H211-W256 HydrophobicContact CB-CH2 4.45Å; H211-W256 HydrophobicContact CB-CZ2 3.84Å; Q237-W256 HydrophobicContact CB-CZ3 4Å; Q237-W256 HydrophobicContact CG-CZ3 4.5Å; I239-W256 HydrophobicContact CD1-CE3 4.2Å; I239-W256 HydrophobicContact CD1-CH2 3.38Å; I239-W256 HydrophobicContact CD1-CZ2 3.98Å; I239-W256 HydrophobicContact CD1-CZ3 3.51Å; I239-W256 HydrophobicContact CG1-CD2 4.14Å; I239-W256 HydrophobicContact CG1-CE3 3.53Å; I239-W256 HydrophobicContact CG1-CH2 3.71Å; I239-W256 HydrophobicContact CG1-CZ2 4.25Å; I239-W256 HydrophobicContact CG1-CZ3 3.3Å; W256-T259 HydrophobicContact CB-CG2 3.97Å; W256-T259 HydrophobicContact CG-CG2 4.29Å; W256-P260 HydrophobicContact CE3-CG 4.42Å; W256-P260 HydrophobicContact CH2-CG 3.8Å; W256-P260 HydrophobicContact CZ3-CG 3.66Å
257I89.5Confident77.8Confident56 Ų5680.5 Ų80.529%0.28743%0.431SS..EExtended strand (participates in β ladder)trans-72.7-39.6168.2-64.4175000109I238 H240 F270 I300I238-I257 HydrophobicContact CB-CB 3.97Å; I238-I257 HydrophobicContact CB-CG2 4.32Å; I238-I257 HydrophobicContact CD1-CG2 4.34Å; I238-I257 HydrophobicContact CG2-CB 3.8Å; I238-I257 HydrophobicContact CG2-CD1 3.96Å; I238-I257 HydrophobicContact CG2-CG1 4.36Å; I238-I257 HydrophobicContact CG2-CG2 4.16Å; I238-I257 PolarHBondContact O-N 3.44Å; H240-I257 HydrophobicContact CB-CD1 3.91Å; H240-I257 HydrophobicContact CB-CG1 4.17Å; I257-F270 HydrophobicContact CG2-CD1 4.34Å; I257-I300 HydrophobicContact CD1-CD1 4.41Å
258Q90.4Very high79.5Confident9 Ų979.8 Ų79.84%0.04243%0.43CS..EExtended strand (participates in β ladder)trans-138117.4173.5-179.5-1721.600108.3S236 I238 F270S236-Q258 PolarHBondContact OG-NE2 3.02Å; S236-Q258 PolarHBondContact OG-OE1 3Å; I238-Q258 HydrophobicContact CB-CB 3.9Å; I238-Q258 HydrophobicContact CD1-CB 3.96Å; I238-Q258 HydrophobicContact CG1-CB 3.86Å; I238-Q258 PolarHBondContact N-O 3.04Å; I238-Q258 PolarHBondContact O-N 2.96Å; I238-Q258 VanDerWaalsContact O-N 3.1Å; Q258-F270 HydrophobicContact CB-CD1 4.49Å; Q258-F270 HydrophobicContact CB-CE1 4.01Å; Q258-F270 HydrophobicContact CB-CZ 4.03Å; Q258-F270 HydrophobicContact CG-CE1 4.22Å; Q258-F270 HydrophobicContact CG-CE2 4.15Å; Q258-F270 HydrophobicContact CG-CZ 3.73Å
259T90Very high81.5Confident95 Ų9574 Ų7458%0.58341%0.408SS*.PPolyproline II helixtrans-67.3156174.6530000111W256 Q261W256-T259 HydrophobicContact CB-CG2 3.97Å; W256-T259 HydrophobicContact CG-CG2 4.29Å; T259-Q261 PolarHBondContact O-N 2.91Å; T259-Q261 VanDerWaalsContact O-N 3.15Å
260P85.6Confident83.7Confident34 Ų3470.7 Ų70.722%0.22139%0.388CS..PPolyproline II helixtrans-57.7122-179.7-21.532.8000111.1R235 Q237 W256 L262R235-P260 HydrophobicContact CG-CB 4.26Å; Q237-P260 HydrophobicContact CB-CG 4.44Å; W256-P260 HydrophobicContact CE3-CG 4.42Å; W256-P260 HydrophobicContact CH2-CG 3.8Å; W256-P260 HydrophobicContact CZ3-CG 3.66Å; P260-L262 PolarHBondContact O-N 3.32Å
261Q84.1Confident85.9Confident28 Ų2868.5 Ų68.513%0.13138%0.378CS..PPolyproline II helixtrans-77120179.8-59-161.5-61.800110.2S236 T259 I265 S266 I316S236-Q261 PolarHBondContact O-N 2.95Å; S236-Q261 VanDerWaalsContact O-N 3.17Å; T259-Q261 PolarHBondContact O-N 2.91Å; T259-Q261 VanDerWaalsContact O-N 3.15Å; Q261-I265 VanDerWaalsContact OE1-CA 3.32Å; Q261-S266 VanDerWaalsContact NE2-CB 3.28Å; Q261-I316 WeakPolarHBondContact O-CD1 2.98Å
262L79Confident87.5Confident133 Ų13362 Ų6270%0.69635%0.347SS*.SBendtrans-105-29.3-174.1-63.3175.2000113.9P260P260-L262 PolarHBondContact O-N 3.32Å
263S78.3Confident88.7Confident95 Ų9565.7 Ų65.766%0.66436%0.359SS*.SBendtrans-120.5-25.7-172.358.40000114.5
264S83.6Confident89.3Confident72 Ų7261.6 Ų61.650%0.50334%0.337SS..  trans-158.6140.8-173.655.80000110.9
265I85.3Confident89.4Confident28 Ų2864 Ų6414%0.14435%0.351CS..  trans-79.2138.5171.6-78.4166.8000111.1Q261 P305 I316 T317 V334 P336Q261-I265 VanDerWaalsContact OE1-CA 3.32Å; I265-P305 HydrophobicContact CD1-CB 4.27Å; I265-P305 HydrophobicContact CD1-CG 4.21Å; I265-I316 HydrophobicContact CD1-CB 4.38Å; I265-I316 WeakPolarHBondContact CD1-O 3.39Å; I265-I316 HydrophobicContact CG1-CB 4.19Å; I265-T317 WeakPolarHBondContact CD1-O 3.42Å; I265-V334 HydrophobicContact CD1-CG1 3.98Å; I265-V334 HydrophobicContact CG1-CG1 4.39Å; I265-V334 HydrophobicContact CG2-CB 3.78Å; I265-V334 HydrophobicContact CG2-CG1 3.5Å; I265-V334 VanDerWaalsContact CG2-CG1 3.5Å; I265-P336 HydrophobicContact CB-CB 4.29Å; I265-P336 HydrophobicContact CG2-CB 3.93Å
266S87.3Confident89.3Confident33 Ų3361.7 Ų61.723%0.23134%0.342CS..  trans-91.6126.3167.31800000108.9Q261 Q268Q261-S266 VanDerWaalsContact NE2-CB 3.28Å; S266-Q268 VanDerWaalsContact C-N 3.25Å; S266-Q268 WeakPolarHBondContact OG-CB 3.16Å; S266-Q268 PolarHBondContact OG-N 3.34Å
267S87.7Confident89.4Confident22 Ų2259 Ų5915%0.15434%0.335CS..  trans-86.45.1170.163.70000113.2A37 R39 P269A37-S267 WeakPolarHBondContact O-CB 3.27Å; A37-S267 PolarHBondContact O-OG 2.79Å; R39-S267 WeakPolarHBondContact CB-O 3.4Å; R39-S267 WeakPolarHBondContact CG-O 3.4Å; S267-P269 WeakPolarHBondContact O-CD 3.45Å
268Q92.6Very high89.3Confident107 Ų10756.3 Ų56.350%0.532%0.322SS..PPolyproline II helixtrans-68127.2176-66.1-61.7-32.300110.2S266 F270S266-Q268 VanDerWaalsContact C-N 3.25Å; S266-Q268 WeakPolarHBondContact OG-CB 3.16Å; S266-Q268 PolarHBondContact OG-N 3.34Å; Q268-F270 WeakPolarHBondContact O-CD2 3.49Å; Q268-F270 WeakPolarHBondContact O-CE2 3.26Å
269P95.8Very high89.2Confident57 Ų5759 Ų5937%0.3733%0.333SS..PPolyproline II helixtrans-64.1135.9173.9-21.533.6000111.6R39 S267 I331 T333R39-P269 HydrophobicContact CB-CG 4.34Å; S267-P269 WeakPolarHBondContact O-CD 3.45Å; P269-I331 HydrophobicContact CB-CG2 3.63Å; P269-T333 WeakPolarHBondContact CB-OG1 3.3Å; P269-T333 HydrophobicContact CG-CG2 4.32Å
270F96.1Very high88.8Confident45 Ų4557.2 Ų57.220%0.19732%0.32CS..EExtended strand (participates in β ladder)trans-101.8117.3172.7-67.4-87.9000109.6I238 I257 Q258 Q268 F272 I331 Y332I238-F270 HydrophobicContact CD1-CB 3.66Å; I238-F270 HydrophobicContact CD1-CD1 4.23Å; I238-F270 HydrophobicContact CD1-CD2 4Å; I238-F270 HydrophobicContact CD1-CG 3.7Å; I257-F270 HydrophobicContact CG2-CD1 4.34Å; Q258-F270 HydrophobicContact CB-CD1 4.49Å; Q258-F270 HydrophobicContact CB-CE1 4.01Å; Q258-F270 HydrophobicContact CB-CZ 4.03Å; Q258-F270 HydrophobicContact CG-CE1 4.22Å; Q258-F270 HydrophobicContact CG-CE2 4.15Å; Q258-F270 HydrophobicContact CG-CZ 3.73Å; Q268-F270 WeakPolarHBondContact O-CD2 3.49Å; Q268-F270 WeakPolarHBondContact O-CE2 3.26Å; F270-F272 HydrophobicContact CB-CE1 4.41Å; F270-I331 CarbonylContact O-C 3.4Å; F270-I331 WeakPolarHBondContact O-CA 3.37Å; F270-Y332 PolarHBondContact N-O 2.86Å; F270-Y332 PolarHBondContact O-N 2.81Å
271S96.5Very high88.5Confident87 Ų8758 Ų5861%0.60832%0.322SS*.EExtended strand (participates in β ladder)trans-107.7128.7-179.3-58.10000111I330S271-I330 VanDerWaalsContact CA-O 3.3Å; S271-I330 WeakPolarHBondContact CA-O 3.27Å
272F95.1Very high88.1Confident28 Ų2862 Ų6212%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-152.6167.7177.149.2-93.6000111I238 F270 I300 I302 I330I238-F272 HydrophobicContact CD1-CE1 4.17Å; I238-F272 HydrophobicContact CG2-CE1 4.31Å; F270-F272 HydrophobicContact CB-CE1 4.41Å; F272-I300 HydrophobicContact CB-CD1 4.48Å; F272-I300 HydrophobicContact CD2-CD1 3.22Å; F272-I300 HydrophobicContact CD2-CG2 4.41Å; F272-I300 HydrophobicContact CE2-CB 4.38Å; F272-I300 HydrophobicContact CE2-CD1 3.57Å; F272-I300 HydrophobicContact CE2-CG2 3.76Å; F272-I300 HydrophobicContact CG-CD1 4.02Å; F272-I300 HydrophobicContact CZ-CG2 4Å; F272-I302 HydrophobicContact CZ-CD1 4.05Å; F272-I330 HydrophobicContact CD2-CB 3.91Å; F272-I330 HydrophobicContact CD2-CG2 4.4Å; F272-I330 HydrophobicContact CE1-CG2 4.34Å; F272-I330 HydrophobicContact CE2-CB 3.59Å; F272-I330 HydrophobicContact CE2-CD1 3.9Å; F272-I330 HydrophobicContact CE2-CG1 4.17Å; F272-I330 HydrophobicContact CE2-CG2 3.64Å; F272-I330 HydrophobicContact CZ-CB 4.04Å; F272-I330 HydrophobicContact CZ-CG2 3.6Å; F272-I330 PolarHBondContact N-O 3.48Å; F272-I330 PolarHBondContact O-N 2.77Å
273K95.1Very high87.8Confident111 Ų11159.2 Ų59.248%0.48333%0.325SS..EExtended strand (participates in β ladder)trans-122.2134.7-177.6-168.1173.9-174.8174.60111N275 N327 K328K273-N275 PolarHBondContact O-N 3.04Å; K273-N327 WeakPolarHBondContact CE-O 3.26Å; K273-K328 WeakPolarHBondContact CA-O 3.27Å
274L95Very high87.5Confident8 Ų859.9 Ų59.94%0.04232%0.318CS..  trans-82.1113.3173.7-54173.6000109.8I199 L227 I300 K328 I330I199-L274 HydrophobicContact CG1-CD1 4.47Å; I199-L274 HydrophobicContact CG2-CD1 3.65Å; L227-L274 HydrophobicContact CB-CD1 4.33Å; L274-I300 HydrophobicContact CD2-CB 4.27Å; L274-I300 HydrophobicContact CD2-CD1 3.75Å; L274-I300 HydrophobicContact CD2-CG1 4.09Å; L274-K328 HydrophobicContact CB-CB 4.13Å; L274-K328 PolarHBondContact N-O 2.86Å; L274-I330 HydrophobicContact CD1-CD1 3.45Å; L274-I330 VanDerWaalsContact CD1-CD1 3.45Å; L274-I330 HydrophobicContact CD1-CG1 4.28Å; L274-I330 HydrophobicContact CD2-CD1 3.9Å; L274-I330 HydrophobicContact CG-CD1 3.58Å; L274-I330 HydrophobicContact CG-CG1 4.18Å
275N90.3Very high86.7Confident110 Ų11060 Ų6059%0.58831%0.313SS*.  trans-99.5-33.4-174.7-60.4-45.9000113.3K273K273-N275 PolarHBondContact O-N 3.04Å
276D88.8Confident85.9Confident57 Ų5767.8 Ų67.831%0.30535%0.346SS..  trans-141178179-157.2-0.4000109.8S226 K279 E298S226-D276 VanDerWaalsContact CB-O 3.25Å; S226-D276 WeakPolarHBondContact CB-O 3.43Å; D276-K279 IonicContact OD1-NZ 2.68Å; D276-K279 PolarHBondContact OD1-NZ 3.22Å; D276-K279 IonicContact OD2-NZ 3.91Å; D276-E298 HydrophobicContact CB-CB 4.17Å; D276-E298 HydrophobicContact CB-CG 4.13Å
277S90.5Very high85.2Confident24 Ų2473.9 Ų73.917%0.16838%0.375CS..  trans-126.9158.2174.261.10000111.5N224 K279 G297 E298N224-S277 VanDerWaalsContact O-CB 3.3Å; N224-S277 WeakPolarHBondContact O-CB 3Å; S277-K279 PolarHBondContact O-N 2.85Å; S277-G297 WeakPolarHBondContact O-CA 3.41Å; S277-E298 CarbonylContact C-O 3.5Å; S277-E298 WeakPolarHBondContact CA-O 3.32Å
278L89.2Confident84.4Confident0 Ų076.4 Ų76.40%039%0.389CS..  trans-66128.3174.9-17569.8000110.2F216 L220 L221 A225 W241 E298F216-L278 HydrophobicContact CB-CD2 4.29Å; F216-L278 HydrophobicContact CD1-CD2 4.25Å; F216-L278 HydrophobicContact CD2-CD1 4.03Å; F216-L278 HydrophobicContact CD2-CD2 3.57Å; F216-L278 HydrophobicContact CD2-CG 4.44Å; F216-L278 HydrophobicContact CE1-CD2 4.48Å; F216-L278 HydrophobicContact CE2-CD1 3.67Å; F216-L278 HydrophobicContact CE2-CD2 3.87Å; F216-L278 HydrophobicContact CE2-CG 4.46Å; F216-L278 HydrophobicContact CG-CD2 3.8Å; F216-L278 HydrophobicContact CZ-CD1 4.34Å; F216-L278 HydrophobicContact CZ-CD2 4.32Å; L220-L278 HydrophobicContact CD2-CD2 3.15Å; L220-L278 HydrophobicContact CD2-CG 4.41Å; L221-L278 HydrophobicContact CD2-CD2 3.48Å; L221-L278 VanDerWaalsContact CD2-CD2 3.48Å; L221-L278 HydrophobicContact CD2-CG 4.11Å; A225-L278 WeakPolarHBondContact O-CB 3.11Å; A225-L278 PolarHBondContact O-N 2.99Å; W241-L278 HydrophobicContact CE3-CD1 3.99Å; W241-L278 HydrophobicContact CH2-CD1 3.49Å; W241-L278 VanDerWaalsContact CH2-CD1 3.49Å; W241-L278 HydrophobicContact CZ2-CD1 4.46Å; W241-L278 HydrophobicContact CZ3-CD1 3.21Å; L278-E298 PolarHBondContact N-O 3.01Å; L278-E298 VanDerWaalsContact N-O 3.16Å
279K86.6Confident83.1Confident65 Ų6578.4 Ų78.428%0.28340%0.397SS..EExtended strand (participates in β ladder)trans-127.1143.2-177.2-71.9162.1-176.4158.40111.3D276 S277 Y296D276-K279 IonicContact OD1-NZ 2.68Å; D276-K279 PolarHBondContact OD1-NZ 3.22Å; D276-K279 IonicContact OD2-NZ 3.91Å; S277-K279 PolarHBondContact O-N 2.85Å; K279-Y296 HydrophobicContact CB-CD1 4.15Å; K279-Y296 HydrophobicContact CB-CD2 4.26Å; K279-Y296 HydrophobicContact CB-CE1 3.65Å; K279-Y296 HydrophobicContact CB-CE2 3.8Å; K279-Y296 HydrophobicContact CB-CG 4.43Å; K279-Y296 VanDerWaalsContact CB-CZ 3.48Å; K279-Y296 HydrophobicContact CD-CD2 4.41Å; K279-Y296 HydrophobicContact CD-CE2 3.58Å; K279-Y296 HydrophobicContact CG-CE2 4.32Å; K279-Y296 PolarHBondContact N-O 3.49Å; K279-Y296 PolarHBondContact O-N 3.14Å; K279-Y296 VanDerWaalsContact O-N 3.14Å
280L83.3Confident81.8Confident58 Ų5883 Ų8330%0.30441%0.411SS..EExtended strand (participates in β ladder)trans-100.5128.5176.1-172.778.1000110.1L221 E282 I293 L295L221-L280 HydrophobicContact CD1-CD1 4.12Å; L280-E282 HydrophobicContact CD2-CG 4.32Å; L280-I293 HydrophobicContact CD1-CG2 3.28Å; L280-I293 HydrophobicContact CG-CG2 4.4Å; L280-L295 HydrophobicContact CD1-CD2 3.75Å
281L79.3Confident80.3Confident51 Ų5187.5 Ų87.527%0.26743%0.431SS..EExtended strand (participates in β ladder)trans-117.7112.4167.7-174.668.8000109.5I283 K294 Y296L281-I283 HydrophobicContact CD2-CD1 3.9Å; L281-I283 HydrophobicContact CD2-CG1 3.86Å; L281-I283 HydrophobicContact CG-CD1 4.43Å; L281-I283 HydrophobicContact CG-CG1 3.87Å; L281-K294 HydrophobicContact CB-CB 4.37Å; L281-K294 PolarHBondContact N-O 3.15Å; L281-K294 PolarHBondContact O-N 3.16Å; L281-Y296 HydrophobicContact CB-CD1 4.34Å; L281-Y296 HydrophobicContact CB-CE1 3.96Å
282E74.7Confident79.1Confident112 Ų11289.9 Ų89.952%0.52343%0.432SS..EExtended strand (participates in β ladder)trans-84.7112.7168.4-69.2-172.5-160.800109.3L280 K291 I293L280-E282 HydrophobicContact CD2-CG 4.32Å; E282-K291 IonicContact OE2-NZ 3.22Å; E282-I293 HydrophobicContact CG-CG1 4.31Å
283I73Confident78.2Confident73 Ų7393.5 Ų93.537%0.37445%0.451SS..EExtended strand (participates in β ladder)trans-101.9117.1174.5-54.9176.1000107.6L281 K291 Q292 K294L281-I283 HydrophobicContact CD2-CD1 3.9Å; L281-I283 HydrophobicContact CD2-CG1 3.86Å; L281-I283 HydrophobicContact CG-CD1 4.43Å; L281-I283 HydrophobicContact CG-CG1 3.87Å; I283-K291 WeakPolarHBondContact O-CA 3.21Å; I283-Q292 PolarHBondContact N-O 3.14Å; I283-Q292 PolarHBondContact O-N 3.35Å; I283-K294 HydrophobicContact CD1-CB 4.42Å
284Q71Confident77.5Confident109 Ų10990 Ų9051%0.50944%0.436SS..EExtended strand (participates in β ladder)trans-92.4115.1170.4-172.2173.1-21.400109.1K286Q284-K286 PolarHBondContact O-N 3.37Å
285N67.4Low77.1Confident74 Ų7491.8 Ų91.840%0.39645%0.446SS..  trans-70.3118.5174.7-175.9-25.9000109.3L287 T288 F289 K290N285-L287 PolarHBondContact O-N 3.46Å; N285-L287 PolarHBondContact OD1-N 3.05Å; N285-T288 VanDerWaalsContact CB-OG1 3.32Å; N285-T288 WeakPolarHBondContact CB-OG1 3.27Å; N285-T288 PolarHBondContact ND2-OG1 3.01Å; N285-T288 PolarHBondContact O-N 3.38Å; N285-F289 WeakPolarHBondContact O-CA 3.37Å; N285-F289 PolarHBondContact O-N 3.04Å; N285-K290 PolarHBondContact N-O 3.5Å
286K68.9Low77Confident192 Ų19289 Ų8984%0.83543%0.427SS*.THydrogen-bonded Turntrans-59.5-30.9-177.3-73.2-177.1177.31790113.7Q284Q284-K286 PolarHBondContact O-N 3.37Å
287L72.9Confident77.1Confident161 Ų16186.4 Ų86.484%0.84341%0.414SS*.THydrogen-bonded Turntrans-85.9-39.3-175.7-74.5161.4000112.4N285N285-L287 PolarHBondContact O-N 3.46Å; N285-L287 PolarHBondContact OD1-N 3.05Å
288T70.7Confident77.3Confident75 Ų7586.1 Ų86.146%0.4641%0.41SS..THydrogen-bonded Turntrans-102.2-8.3-175.557.10000113.5N285 K290N285-T288 VanDerWaalsContact CB-OG1 3.32Å; N285-T288 WeakPolarHBondContact CB-OG1 3.27Å; N285-T288 PolarHBondContact ND2-OG1 3.01Å; N285-T288 PolarHBondContact O-N 3.38Å; T288-K290 PolarHBondContact O-N 2.8Å
289F64.8Low77.5Confident149 Ų14986.1 Ų86.165%0.65441%0.41SS*.  trans51.710.1-168.1-72.1-96.7000114.2N285 K291N285-F289 WeakPolarHBondContact O-CA 3.37Å; N285-F289 PolarHBondContact O-N 3.04Å; F289-K291 PolarHBondContact O-N 2.72Å
290K68.2Low78Confident153 Ų15383.3 Ų83.367%0.66540%0.398SS*.  trans-71127.4176.4-72-176.1178.1-177.50108.8N285 T288N285-K290 PolarHBondContact N-O 3.5Å; T288-K290 PolarHBondContact O-N 2.8Å
291K65.8Low78.6Confident141 Ų14180.6 Ų80.661%0.61338%0.384SS*.EExtended strand (participates in β ladder)trans-81.1119.6169.2-68.3-171.8175-162.60108.7E282 I283 F289E282-K291 IonicContact OE2-NZ 3.22Å; I283-K291 WeakPolarHBondContact O-CA 3.21Å; F289-K291 PolarHBondContact O-N 2.72Å
292Q71.4Confident79.5Confident136 Ų13678.1 Ų78.164%0.63637%0.371SS*.EExtended strand (participates in β ladder)trans-106126.8169.4-171.6174.6000108.2I283I283-Q292 PolarHBondContact N-O 3.14Å; I283-Q292 PolarHBondContact O-N 3.35Å
293I74.3Confident80.6Confident104 Ų10472.9 Ų72.953%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-91.9125174.4-72.2163000107.9L280 E282 L295L280-I293 HydrophobicContact CD1-CG2 3.28Å; L280-I293 HydrophobicContact CG-CG2 4.4Å; E282-I293 HydrophobicContact CG-CG1 4.31Å; I293-L295 HydrophobicContact CG2-CG 4.42Å
294K81Confident81.8Confident38 Ų3869.4 Ų69.417%0.16533%0.329CS..EExtended strand (participates in β ladder)trans-115.3132.1172.3-170.2174.1-171.3173.10109.9K245 F247 L281 I283K245-K294 WeakPolarHBondContact O-CE 3.46Å; K245-K294 PolarHBondContact O-NZ 3.17Å; F247-K294 WeakPolarHBondContact O-CE 3.44Å; F247-K294 PolarHBondContact O-NZ 2.95Å; L281-K294 HydrophobicContact CB-CB 4.37Å; L281-K294 PolarHBondContact N-O 3.15Å; L281-K294 PolarHBondContact O-N 3.16Å; I283-K294 HydrophobicContact CD1-CB 4.42Å
295L86.3Confident83Confident46 Ų4664.2 Ų64.224%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-107.9131.6179.7-65.9163.9000109.4F216 L221 W241 N243 L280 I293F216-L295 HydrophobicContact CD2-CD1 3.66Å; F216-L295 HydrophobicContact CD2-CD2 4.49Å; F216-L295 HydrophobicContact CE2-CD1 4.27Å; L221-L295 HydrophobicContact CD1-CD2 4.29Å; L221-L295 HydrophobicContact CD2-CD2 3.31Å; L221-L295 HydrophobicContact CG-CD2 4.44Å; W241-L295 HydrophobicContact CH2-CB 4.26Å; N243-L295 PolarHBondContact ND2-O 3.41Å; L280-L295 HydrophobicContact CD1-CD2 3.75Å; I293-L295 HydrophobicContact CG2-CG 4.42Å
296Y88.5Confident84.4Confident50 Ų5060.7 Ų60.720%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-146.4168.7178.970.4-82.1000110.8K245 K279 L281K245-Y296 HydrophobicContact CB-CD2 4.25Å; K245-Y296 HydrophobicContact CB-CG 4.32Å; K279-Y296 HydrophobicContact CB-CD1 4.15Å; K279-Y296 HydrophobicContact CB-CD2 4.26Å; K279-Y296 HydrophobicContact CB-CE1 3.65Å; K279-Y296 HydrophobicContact CB-CE2 3.8Å; K279-Y296 HydrophobicContact CB-CG 4.43Å; K279-Y296 VanDerWaalsContact CB-CZ 3.48Å; K279-Y296 HydrophobicContact CD-CD2 4.41Å; K279-Y296 HydrophobicContact CD-CE2 3.58Å; K279-Y296 HydrophobicContact CG-CE2 4.32Å; K279-Y296 PolarHBondContact N-O 3.49Å; K279-Y296 PolarHBondContact O-N 3.14Å; K279-Y296 VanDerWaalsContact O-N 3.14Å; L281-Y296 HydrophobicContact CB-CD1 4.34Å; L281-Y296 HydrophobicContact CB-CE1 3.96Å
297G91.4Very high85.8Confident3 Ų351.6 Ų51.63%0.03125%0.247CC..EExtended strand (participates in β ladder)trans105.8-151.1-176.400000111.7W241 K242 N243 S277W241-G297 WeakPolarHBondContact CZ3-O 3.23Å; K242-G297 WeakPolarHBondContact CA-O 3.47Å; N243-G297 PolarHBondContact N-O 3.38Å; N243-G297 PolarHBondContact O-N 3.14Å; S277-G297 WeakPolarHBondContact O-CA 3.41Å
298E93.6Very high86.8Confident19 Ų1944 Ų449%0.08921%0.207CC..EExtended strand (participates in β ladder)trans-134.9145.8-177.2-62.4-175-168.700110.8H240 W241 K242 D276 S277 L278H240-E298 IonicContact CE1-OE2 3.74Å; H240-E298 IonicContact NE2-OE2 3.42Å; H240-E298 PolarHBondContact NE2-OE2 2.83Å; W241-E298 CarbonylContact O-C 3.52Å; W241-E298 VanDerWaalsContact O-CA 3.3Å; W241-E298 WeakPolarHBondContact O-CA 3.41Å; K242-E298 HydrophobicContact CB-CG 4.13Å; K242-E298 HydrophobicContact CD-CG 4.04Å; K242-E298 WeakPolarHBondContact CD-OE1 3.32Å; K242-E298 WeakPolarHBondContact CE-OE1 3.45Å; K242-E298 HydrophobicContact CG-CG 3.86Å; K242-E298 IonicContact NZ-OE1 2.71Å; K242-E298 PolarHBondContact NZ-OE1 3.02Å; D276-E298 HydrophobicContact CB-CB 4.17Å; D276-E298 HydrophobicContact CB-CG 4.13Å; S277-E298 CarbonylContact C-O 3.5Å; S277-E298 WeakPolarHBondContact CA-O 3.32Å; L278-E298 PolarHBondContact N-O 3.01Å; L278-E298 VanDerWaalsContact N-O 3.16Å
299L95Very high87.8Confident0 Ų040.4 Ų40.40%019%0.185CC..EExtended strand (participates in β ladder)trans-142.2125.6172.4-178.468.6000108.8V208 I209 F216 L220 A225 W241V208-L299 HydrophobicContact CG2-CD2 4.14Å; I209-L299 HydrophobicContact CD1-CD2 3.8Å; I209-L299 HydrophobicContact CD1-CG 4.33Å; F216-L299 HydrophobicContact CD1-CD2 4.27Å; F216-L299 HydrophobicContact CE1-CD2 3.66Å; F216-L299 HydrophobicContact CZ-CD2 4.23Å; L220-L299 HydrophobicContact CD1-CD2 4.09Å; L220-L299 HydrophobicContact CD2-CD2 4.31Å; A225-L299 HydrophobicContact CB-CD1 4.31Å; W241-L299 HydrophobicContact CE3-CB 4.31Å; W241-L299 PolarHBondContact N-O 3.04Å; W241-L299 PolarHBondContact O-N 3.48Å
300I96.6Very high89Confident6 Ų634.2 Ų34.23%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-94.9129.9167-61.1-176.1000108.1S226 L227 S228 I238 I239 I257 F272 L274 I302S226-I300 PolarHBondContact O-N 3.2Å; L227-I300 CarbonylContact C-O 3.58Å; L227-I300 WeakPolarHBondContact CA-O 3.49Å; L227-I300 HydrophobicContact CD1-CB 4.13Å; L227-I300 HydrophobicContact CD1-CG2 4.1Å; S228-I300 PolarHBondContact N-O 3.29Å; I238-I300 HydrophobicContact CG2-CG2 3.8Å; I239-I300 CarbonylContact O-C 3.35Å; I239-I300 WeakPolarHBondContact O-CA 3.41Å; I257-I300 HydrophobicContact CD1-CD1 4.41Å; F272-I300 HydrophobicContact CB-CD1 4.48Å; F272-I300 HydrophobicContact CD2-CD1 3.22Å; F272-I300 HydrophobicContact CD2-CG2 4.41Å; F272-I300 HydrophobicContact CE2-CB 4.38Å; F272-I300 HydrophobicContact CE2-CD1 3.57Å; F272-I300 HydrophobicContact CE2-CG2 3.76Å; F272-I300 HydrophobicContact CG-CD1 4.02Å; F272-I300 HydrophobicContact CZ-CG2 4Å; L274-I300 HydrophobicContact CD2-CB 4.27Å; L274-I300 HydrophobicContact CD2-CD1 3.75Å; L274-I300 HydrophobicContact CD2-CG1 4.09Å; I300-I302 HydrophobicContact CG2-CG1 4.45Å
301S96.5Very high89.8Confident0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-116.5122176.7-164.40000110.1S228 H230 I238 I239S228-S301 CarbonylContact O-C 3.6Å; S228-S301 VanDerWaalsContact O-CA 3.31Å; S228-S301 WeakPolarHBondContact O-CA 3.31Å; H230-S301 PolarHBondContact CE1-OG 2.88Å; H230-S301 VanDerWaalsContact CE1-OG 3.25Å; H230-S301 PolarHBondContact ND1-OG 3.1Å; I238-S301 WeakPolarHBondContact CA-O 3.26Å; I239-S301 PolarHBondContact N-O 2.98Å; I239-S301 PolarHBondContact O-N 2.73Å
302I97.9Very high90.6Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-105.5119177.8-57.9176.5000108.4L227 S228 I229 H230 Q237 I238 F272 I300 V304 L322 Y332L227-I302 HydrophobicContact CD1-CD1 3.86Å; L227-I302 HydrophobicContact CD1-CG1 4.07Å; S228-I302 PolarHBondContact O-N 2.94Å; I229-I302 WeakPolarHBondContact CA-O 3.45Å; H230-I302 PolarHBondContact CE1-O 3.35Å; H230-I302 PolarHBondContact N-O 2.79Å; H230-I302 PolarHBondContact ND1-O 3.45Å; Q237-I302 WeakPolarHBondContact O-CA 3.47Å; I238-I302 HydrophobicContact CG2-CG1 4.48Å; F272-I302 HydrophobicContact CZ-CD1 4.05Å; I300-I302 HydrophobicContact CG2-CG1 4.45Å; I302-V304 HydrophobicContact CG2-CG2 4.22Å; I302-L322 HydrophobicContact CD1-CD1 3.88Å; I302-Y332 HydrophobicContact CD1-CD2 4.34Å; I302-Y332 HydrophobicContact CD1-CG 4.15Å; I302-Y332 HydrophobicContact CG2-CD1 4.09Å; I302-Y332 HydrophobicContact CG2-CD2 4.12Å; I302-Y332 HydrophobicContact CG2-CE1 3.76Å; I302-Y332 HydrophobicContact CG2-CE2 3.82Å; I302-Y332 HydrophobicContact CG2-CG 4.23Å
303G96.7Very high91.4Very high1 Ų119.5 Ų19.51%0.019%0.093CC..EExtended strand (participates in β ladder)trans-90.1131.9164.500000109.7H230 S236 Q237H230-G303 PolarHBondContact CE1-N 3.02Å; H230-G303 VanDerWaalsContact NE2-CA 3.3Å; H230-G303 WeakPolarHBondContact NE2-CA 3.45Å; S236-G303 WeakPolarHBondContact CA-O 3.48Å; Q237-G303 PolarHBondContact N-O 2.84Å; Q237-G303 VanDerWaalsContact N-O 3.14Å; Q237-G303 PolarHBondContact O-N 2.98Å
304V97.8Very high92Very high0 Ų015 Ų150%07%0.07CC..  trans-104.2134.2-176.9-177.80000108.7L54 A56 L101 I229 H230 I302L54-V304 HydrophobicContact CB-CG1 3.98Å; L54-V304 HydrophobicContact CB-CG2 3.94Å; L54-V304 HydrophobicContact CD1-CG2 3.77Å; A56-V304 HydrophobicContact CB-CB 3.97Å; A56-V304 HydrophobicContact CB-CG1 3.95Å; L101-V304 HydrophobicContact CD1-CB 3.62Å; L101-V304 HydrophobicContact CD1-CG1 4.12Å; L101-V304 HydrophobicContact CD1-CG2 3.39Å; I229-V304 HydrophobicContact CG2-CG2 3.89Å; H230-V304 PolarHBondContact O-N 2.87Å; I302-V304 HydrophobicContact CG2-CG2 4.22Å
305P97.4Very high92.3Very high0 Ų018.9 Ų18.90%09%0.09CC..  trans-69.3160.1176.630.2-33.6000111I265 I316 V334I265-P305 HydrophobicContact CD1-CB 4.27Å; I265-P305 HydrophobicContact CD1-CG 4.21Å; P305-I316 VanDerWaalsContact CB-O 3.27Å; P305-I316 WeakPolarHBondContact CB-O 3.42Å; P305-V334 HydrophobicContact CG-CG1 3.76Å
306S97.1Very high92.6Very high0 Ų017 Ų170%08%0.079CC..BIsolated β-bridgetrans-64.9142.5175.3-52.40000111.5A56 D57 H234 S311 T317 G318A56-S306 WeakPolarHBondContact O-CA 3.12Å; D57-S306 VanDerWaalsContact CB-OG 3.32Å; D57-S306 WeakPolarHBondContact CB-OG 3.09Å; D57-S306 PolarHBondContact OD2-OG 2.84Å; H234-S306 VanDerWaalsContact CA-OG 3.27Å; H234-S306 WeakPolarHBondContact CA-OG 3.49Å; H234-S306 VanDerWaalsContact CB-OG 3.26Å; H234-S306 WeakPolarHBondContact CB-OG 3.36Å; H234-S306 PolarHBondContact ND1-OG 3.1Å; S306-S311 VanDerWaalsContact CB-OG 3.28Å; S306-S311 WeakPolarHBondContact CB-OG 3.25Å; S306-T317 CarbonylContact O-C 3.53Å; S306-T317 WeakPolarHBondContact O-CA 3.16Å; S306-T317 WeakPolarHBondContact O-CB 3.39Å; S306-G318 PolarHBondContact O-N 2.75Å
307C97.3Very high92.9Very high2 Ų214.6 Ų14.61%0.0147%0.07CC..SBendtrans-91.40.9-179.975.20000113.6I55 A56 S58 L82 G318 I319 L337I55-C307 HydrophobicContact CG2-CB 4.09Å; I55-C307 WeakPolarHBondContact CG2-SG 3.34Å; A56-C307 PolarHBondContact O-N 2.66Å; S58-C307 WeakPolarHBondContact CA-SG 3.48Å; S58-C307 VanDerWaalsContact CB-SG 3.58Å; L82-C307 VanDerWaalsContact CD2-O 3.29Å; L82-C307 WeakPolarHBondContact CD2-O 3.45Å; C307-G318 WeakPolarHBondContact CA-O 3.41Å; C307-I319 HydrophobicContact CB-CG1 4.25Å; C307-L337 HydrophobicContact CB-CD1 4.33Å; C307-L337 WeakPolarHBondContact O-CD1 3.48Å
308T95.3Very high93.1Very high0 Ų014.5 Ų14.50%07%0.069CC..  trans-119.1139178.8-173.20000111.9D57 S58 H59 R310 S311 T317D57-T308 WeakPolarHBondContact O-CG2 3.48Å; S58-T308 WeakPolarHBondContact O-CB 3.25Å; S58-T308 WeakPolarHBondContact O-CG2 3.32Å; H59-T308 HydrophobicContact CB-CG2 4.07Å; T308-R310 HydrophobicContact CG2-CB 4.49Å; T308-R310 PolarHBondContact O-N 3.46Å; T308-R310 PolarHBondContact OG1-N 3.12Å; T308-S311 PolarHBondContact O-N 2.94Å; T308-S311 PolarHBondContact O-OG 2.9Å; T308-T317 WeakPolarHBondContact O-CG2 3.3Å
309Y91.8Very high93.4Very high0 Ų013.8 Ų13.80%07%0.066CC..THydrogen-bonded Turntrans-68.5-9.8172.673.5-88.5000112.6D77 Y81 P314 R340 Y341 I344D77-Y309 PolarHBondContact OD2-OH 3.03Å; Y81-Y309 AromaticContact CD1-CD1 3.82Å; Y81-Y309 HydrophobicContact CD1-CD1 3.82Å; Y81-Y309 HydrophobicContact CD1-CE1 4.16Å; Y81-Y309 AromaticContact CD2-CD1 3.86Å; Y81-Y309 HydrophobicContact CD2-CD1 3.86Å; Y81-Y309 HydrophobicContact CD2-CE1 4.02Å; Y81-Y309 AromaticContact CE1-CD1 3.83Å; Y81-Y309 HydrophobicContact CE1-CD1 3.83Å; Y81-Y309 AromaticContact CE2-CD1 3.79Å; Y81-Y309 HydrophobicContact CE2-CD1 3.79Å; Y81-Y309 HydrophobicContact CE2-CE1 4.41Å; Y81-Y309 AromaticContact CG-CD1 3.84Å; Y81-Y309 HydrophobicContact CG-CD1 3.84Å; Y81-Y309 AromaticContact CG-CE1 3.85Å; Y81-Y309 HydrophobicContact CG-CE1 3.85Å; Y81-Y309 AromaticContact CZ-CD1 3.79Å; Y309-P314 WeakPolarHBondContact O-CB 3.42Å; Y309-R340 HydrophobicContact CD1-CB 3.68Å; Y309-R340 HydrophobicContact CD2-CB 4.02Å; Y309-R340 HydrophobicContact CE1-CB 3.68Å; Y309-R340 HydrophobicContact CE1-CG 4.06Å; Y309-R340 HydrophobicContact CE2-CB 4.03Å; Y309-R340 HydrophobicContact CE2-CG 4.46Å; Y309-R340 HydrophobicContact CG-CB 3.85Å; Y309-Y341 HydrophobicContact CD2-CD1 4.02Å; Y309-Y341 AromaticContact CD2-CD2 3.99Å; Y309-Y341 HydrophobicContact CD2-CD2 3.99Å; Y309-Y341 AromaticContact CD2-CE1 3.86Å; Y309-Y341 HydrophobicContact CD2-CE1 3.86Å; Y309-Y341 AromaticContact CD2-CE2 3.83Å; Y309-Y341 HydrophobicContact CD2-CE2 3.83Å; Y309-Y341 HydrophobicContact CD2-CG 4.09Å; Y309-Y341 AromaticContact CD2-CZ 3.76Å; Y309-Y341 AromaticContact CE2-CD1 3.95Å; Y309-Y341 HydrophobicContact CE2-CD1 3.95Å; Y309-Y341 AromaticContact CE2-CE1 3.74Å; Y309-Y341 HydrophobicContact CE2-CE1 3.74Å; Y309-Y341 HydrophobicContact CE2-CG 4.45Å; Y309-Y341 WeakPolarHBondContact O-CE2 3.45Å; Y309-Y341 PolarHBondContact O-OH 2.86Å; Y309-I344 HydrophobicContact CE2-CD1 4.09Å
310R89.4Confident93.5Very high19 Ų1913.8 Ų13.87%0.0727%0.066CC..THydrogen-bonded Turntrans-90.81.2-179.5-58.9-157.8178-155.87115.4E61 L74 D77 T308 G312E61-R310 VanDerWaalsContact CD-CD 3.44Å; E61-R310 WeakPolarHBondContact OE1-CD 3.44Å; E61-R310 IonicContact OE1-CZ 2.9Å; E61-R310 VanDerWaalsContact OE1-CZ 3.31Å; E61-R310 IonicContact OE1-NE 3.94Å; E61-R310 PolarHBondContact OE1-NE 2.83Å; E61-R310 IonicContact OE1-NH1 3.25Å; E61-R310 PolarHBondContact OE1-NH1 3.32Å; E61-R310 IonicContact OE2-CZ 3.68Å; E61-R310 IonicContact OE2-NE 3.72Å; E61-R310 IonicContact OE2-NH1 3.26Å; E61-R310 PolarHBondContact OE2-NH1 3.15Å; L74-R310 PolarHBondContact O-NH2 3.3Å; L74-R310 VanDerWaalsContact O-NH2 3.13Å; D77-R310 IonicContact OD2-NH2 3.41Å; D77-R310 PolarHBondContact OD2-NH2 3.3Å; T308-R310 HydrophobicContact CG2-CB 4.49Å; T308-R310 PolarHBondContact O-N 3.46Å; T308-R310 PolarHBondContact OG1-N 3.12Å; R310-G312 PolarHBondContact O-N 2.92Å; R310-G312 VanDerWaalsContact O-N 3.17Å
311S85.7Confident93.6Very high3 Ų313.5 Ų13.52%0.0216%0.064CC..SBendtrans-76.49.8179.355.20000114.2S306 T308 Y313S306-S311 VanDerWaalsContact CB-OG 3.28Å; S306-S311 WeakPolarHBondContact CB-OG 3.25Å; T308-S311 PolarHBondContact O-N 2.94Å; T308-S311 PolarHBondContact O-OG 2.9Å; S311-Y313 VanDerWaalsContact O-CD2 3.23Å; S311-Y313 WeakPolarHBondContact O-CD2 3.13Å; S311-Y313 PolarHBondContact O-N 3.24Å
312G82.7Confident93.7Very high14 Ų1413.5 Ų13.514%0.1446%0.064CC..SBendtrans79.8-13.2-17000000114.9R310 P314R310-G312 PolarHBondContact O-N 2.92Å; R310-G312 VanDerWaalsContact O-N 3.17Å; G312-P314 WeakPolarHBondContact O-CD 3.38Å
313Y87.3Confident93.7Very high104 Ų10414.1 Ų14.141%0.4087%0.067SC..  trans-116.652.9-177.2-63.3-86.3000114.5H234 S311 Q315 I316 T317H234-Y313 HydrophobicContact CB-CD2 3.26Å; H234-Y313 HydrophobicContact CB-CE2 3.66Å; H234-Y313 HydrophobicContact CB-CG 3.83Å; H234-Y313 AromaticContact CD2-CD2 3.96Å; H234-Y313 AromaticContact CD2-CE2 3.58Å; H234-Y313 AromaticContact CG-CD2 3.53Å; H234-Y313 AromaticContact CG-CE2 3.65Å; S311-Y313 VanDerWaalsContact O-CD2 3.23Å; S311-Y313 WeakPolarHBondContact O-CD2 3.13Å; S311-Y313 PolarHBondContact O-N 3.24Å; Y313-Q315 PolarHBondContact O-N 3.49Å; Y313-I316 HydrophobicContact CD1-CD1 3.93Å; Y313-I316 HydrophobicContact CD1-CG1 4.42Å; Y313-I316 HydrophobicContact CG-CD1 4.29Å; Y313-I316 HydrophobicContact CG-CG1 4.45Å; Y313-I316 PolarHBondContact O-N 3.02Å; Y313-T317 WeakPolarHBondContact O-CG2 3.34Å
314P87.2Confident93.8Very high9 Ų914 Ų146%0.0587%0.066CC..THydrogen-bonded Turntrans-65.5-16.6-168.129.5-38.9000115Y309 G312 N339 Y341Y309-P314 WeakPolarHBondContact O-CB 3.42Å; G312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-N339 HydrophobicContact CB-CB 4.45Å; P314-N339 WeakPolarHBondContact O-CB 3.29Å; P314-Y341 HydrophobicContact CB-CD2 3.51Å; P314-Y341 HydrophobicContact CB-CE2 3.68Å; P314-Y341 HydrophobicContact CG-CD2 3.61Å; P314-Y341 HydrophobicContact CG-CE2 3.73Å
315Q87.7Confident93.8Very high121 Ų12116.1 Ų16.157%0.5658%0.075SC*.THydrogen-bonded Turntrans-81.9-19179.2-2.9-73.7-3.300112.9Y313 N339Y313-Q315 PolarHBondContact O-N 3.49Å; Q315-N339 PolarHBondContact OE1-ND2 3.45Å
316I91.2Very high93.6Very high5 Ų520.9 Ų20.93%0.02610%0.097CC..SBendtrans-127.440.7-172.858.1169.9000111.2R235 Q261 I265 P305 Y313R235-I316 HydrophobicContact CB-CD1 3.94Å; Q261-I316 WeakPolarHBondContact O-CD1 2.98Å; I265-I316 HydrophobicContact CD1-CB 4.38Å; I265-I316 WeakPolarHBondContact CD1-O 3.39Å; I265-I316 HydrophobicContact CG1-CB 4.19Å; P305-I316 VanDerWaalsContact CB-O 3.27Å; P305-I316 WeakPolarHBondContact CB-O 3.42Å; Y313-I316 HydrophobicContact CD1-CD1 3.93Å; Y313-I316 HydrophobicContact CD1-CG1 4.42Å; Y313-I316 HydrophobicContact CG-CD1 4.29Å; Y313-I316 HydrophobicContact CG-CG1 4.45Å; Y313-I316 PolarHBondContact O-N 3.02Å
317T94.9Very high93.5Very high1 Ų125 Ų251%0.00612%0.119CC..  trans-90.9140.2176.355.80000113.2I265 S306 T308 Y313 L337I265-T317 WeakPolarHBondContact CD1-O 3.42Å; S306-T317 CarbonylContact O-C 3.53Å; S306-T317 WeakPolarHBondContact O-CA 3.16Å; S306-T317 WeakPolarHBondContact O-CB 3.39Å; T308-T317 WeakPolarHBondContact O-CG2 3.3Å; Y313-T317 WeakPolarHBondContact O-CG2 3.34Å; T317-L337 PolarHBondContact O-N 3.14Å
318G97.1Very high93.4Very high0 Ų027.5 Ų27.50%013%0.13CC..EExtended strand (participates in β ladder)trans-160.5158.4-172.600000113.7S306 C307 L335S306-G318 PolarHBondContact O-N 2.75Å; C307-G318 WeakPolarHBondContact CA-O 3.41Å; G318-L335 VanDerWaalsContact CA-O 3.31Å; G318-L335 WeakPolarHBondContact CA-O 3.4Å
319I98.5Very high93.4Very high4 Ų429.1 Ų29.12%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-104.4128.7161.8-68.2172.9000107.6L53 I55 A89 C307 L335 L337L53-I319 HydrophobicContact CB-CG2 4.4Å; L53-I319 HydrophobicContact CD2-CG2 3.97Å; I55-I319 HydrophobicContact CD1-CB 4.21Å; I55-I319 HydrophobicContact CD1-CD1 3.97Å; I55-I319 HydrophobicContact CD1-CG1 3.72Å; I55-I319 HydrophobicContact CD1-CG2 3.63Å; A89-I319 HydrophobicContact CB-CD1 3.89Å; A89-I319 HydrophobicContact CB-CG2 4.28Å; C307-I319 HydrophobicContact CB-CG1 4.25Å; I319-L335 HydrophobicContact CB-CB 4.35Å; I319-L335 HydrophobicContact CG2-CD1 4.5Å; I319-L335 PolarHBondContact N-O 2.85Å; I319-L335 WeakPolarHBondContact O-CB 3.16Å; I319-L335 PolarHBondContact O-N 3.47Å; I319-L337 HydrophobicContact CD1-CD2 4.3Å; I319-L337 HydrophobicContact CG1-CD1 4.35Å; I319-L337 HydrophobicContact CG1-CD2 4.24Å
320G98.5Very high93.7Very high0 Ų029.1 Ų29.10%014%0.141CC..EExtended strand (participates in β ladder)trans-76138.6172.200000110.9L53 L54L53-G320 CarbonylContact C-O 3.54Å; L53-G320 WeakPolarHBondContact CA-O 3.22Å; L54-G320 PolarHBondContact N-O 2.91Å; L54-G320 PolarHBondContact O-N 2.86Å
321L98.4Very high94.1Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-115121.2165.8171.665.2000107.7P41 L53 T93 Q323 Y332 T333P41-L321 HydrophobicContact CG-CD2 3.98Å; L53-L321 HydrophobicContact CD2-CD1 4.18Å; T93-L321 HydrophobicContact CG2-CD1 3.94Å; T93-L321 HydrophobicContact CG2-CD2 3.79Å; T93-L321 HydrophobicContact CG2-CG 4.35Å; L321-Q323 HydrophobicContact CD2-CG 4.41Å; L321-Q323 HydrophobicContact CG-CG 4.23Å; L321-Y332 WeakPolarHBondContact O-CA 3.49Å; L321-T333 PolarHBondContact N-O 2.82Å; L321-T333 PolarHBondContact O-N 2.81Å
322L98.6Very high94.7Very high0 Ų029.9 Ų29.90%015%0.145CC..EExtended strand (participates in β ladder)trans-112.7121.2175.3-173.872.4000109.6R51 I52 L54 L227 I229 I302 L324 I330 Y332R51-L322 CarbonylContact C-O 3.5Å; R51-L322 WeakPolarHBondContact CA-O 3.47Å; I52-L322 HydrophobicContact CB-CB 4.42Å; I52-L322 PolarHBondContact N-O 3.41Å; I52-L322 PolarHBondContact O-N 2.98Å; L54-L322 HydrophobicContact CD1-CB 4.05Å; L54-L322 HydrophobicContact CD2-CB 4.45Å; L54-L322 HydrophobicContact CG-CB 4.26Å; L227-L322 HydrophobicContact CD2-CD2 4Å; I229-L322 HydrophobicContact CD1-CD2 3.55Å; I302-L322 HydrophobicContact CD1-CD1 3.88Å; L322-L324 HydrophobicContact CD1-CD2 4.31Å; L322-L324 HydrophobicContact CD2-CD1 4.01Å; L322-L324 HydrophobicContact CD2-CD2 3.98Å; L322-L324 HydrophobicContact CD2-CG 3.98Å; L322-L324 HydrophobicContact CG-CD2 4.01Å; L322-L324 HydrophobicContact CG-CG 4.01Å; L322-I330 HydrophobicContact CD1-CG2 3.46Å; L322-I330 VanDerWaalsContact CD1-CG2 3.46Å; L322-Y332 HydrophobicContact CD1-CD2 4.45Å
323Q98.2Very high95.5Very high13 Ų1329.2 Ų29.26%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-108.8115.1173.7-55.5170.7-114.700107.7E49 R51 L321 Y325 I330 I331E49-Q323 WeakPolarHBondContact OE1-CB 3.23Å; E49-Q323 WeakPolarHBondContact OE1-CG 3.46Å; E49-Q323 PolarHBondContact OE1-NE2 3.18Å; R51-Q323 HydrophobicContact CG-CG 4.27Å; L321-Q323 HydrophobicContact CD2-CG 4.41Å; L321-Q323 HydrophobicContact CG-CG 4.23Å; Q323-Y325 HydrophobicContact CB-CE2 4.06Å; Q323-Y325 PolarHBondContact NE2-OH 3.2Å; Q323-I330 WeakPolarHBondContact O-CA 3.41Å; Q323-I331 HydrophobicContact CB-CB 4.13Å; Q323-I331 PolarHBondContact N-O 2.83Å; Q323-I331 PolarHBondContact O-N 2.9Å
324L97.9Very high96Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-107.8129.1178.7-62.4172.8000108.7E49 V50 I52 F174 V175 I199 V201 L227 L322 I330E49-L324 CarbonylContact C-O 3.48Å; E49-L324 WeakPolarHBondContact CA-O 3.2Å; V50-L324 HydrophobicContact CB-CB 4.4Å; V50-L324 PolarHBondContact N-O 2.86Å; V50-L324 PolarHBondContact O-N 3.23Å; I52-L324 HydrophobicContact CD1-CD1 3.98Å; F174-L324 HydrophobicContact CE2-CB 4.35Å; F174-L324 WeakPolarHBondContact CZ-O 3.22Å; V175-L324 HydrophobicContact CB-CD1 4.37Å; V175-L324 HydrophobicContact CG1-CD1 3.7Å; V175-L324 HydrophobicContact CG2-CB 4.3Å; V175-L324 HydrophobicContact CG2-CD1 3.75Å; I199-L324 HydrophobicContact CD1-CB 4.37Å; I199-L324 HydrophobicContact CD1-CD2 4.46Å; V201-L324 HydrophobicContact CG2-CD1 4.4Å; L227-L324 HydrophobicContact CD2-CD2 4.18Å; L322-L324 HydrophobicContact CD1-CD2 4.31Å; L322-L324 HydrophobicContact CD2-CD1 4.01Å; L322-L324 HydrophobicContact CD2-CD2 3.98Å; L322-L324 HydrophobicContact CD2-CG 3.98Å; L322-L324 HydrophobicContact CG-CD2 4.01Å; L322-L324 HydrophobicContact CG-CG 4.01Å; L324-I330 HydrophobicContact CD2-CB 4.36Å; L324-I330 HydrophobicContact CD2-CD1 3.4Å; L324-I330 HydrophobicContact CD2-CG1 3.55Å; L324-I330 HydrophobicContact CD2-CG2 4.15Å
325Y96.8Very high96.5Very high44 Ų4424 Ų2417%0.17312%0.117CC..EExtended strand (participates in β ladder)trans-108148.5176.8-64.7-90.7000110.9D48 E49 F174 Q323 N327 K328 S329 I331D48-Y325 CarbonylContact O-C 3.52Å; D48-Y325 VanDerWaalsContact O-CA 3.31Å; D48-Y325 WeakPolarHBondContact O-CA 3.31Å; E49-Y325 HydrophobicContact CB-CD1 4.03Å; E49-Y325 HydrophobicContact CB-CE1 3.8Å; E49-Y325 HydrophobicContact CG-CD1 4.3Å; E49-Y325 HydrophobicContact CG-CE1 3.83Å; E49-Y325 PolarHBondContact OE1-OH 3.25Å; F174-Y325 VanDerWaalsContact CE2-C 3.45Å; F174-Y325 VanDerWaalsContact CZ-C 3.48Å; Q323-Y325 HydrophobicContact CB-CE2 4.06Å; Q323-Y325 PolarHBondContact NE2-OH 3.2Å; Y325-N327 WeakPolarHBondContact CB-OD1 3.33Å; Y325-N327 PolarHBondContact O-N 3.48Å; Y325-N327 VanDerWaalsContact O-N 3.11Å; Y325-K328 WeakPolarHBondContact O-CA 3.4Å; Y325-K328 PolarHBondContact O-N 3.42Å; Y325-S329 WeakPolarHBondContact CD2-O 3.39Å; Y325-S329 PolarHBondContact N-O 2.92Å; Y325-I331 HydrophobicContact CE2-CD1 3.92Å; Y325-I331 HydrophobicContact CE2-CG1 4.09Å
326Q94.2Very high96.9Very high100 Ų10019.2 Ų19.247%0.46710%0.097SC..THydrogen-bonded Turntrans-58.8-28.1-178.6-169.6175.4-2.800112.9D48 F174 K328D48-Q326 HydrophobicContact CB-CB 3.97Å; D48-Q326 PolarHBondContact O-N 3.24Å; F174-Q326 HydrophobicContact CB-CG 4.49Å; F174-Q326 HydrophobicContact CD1-CB 3.93Å; F174-Q326 HydrophobicContact CD1-CG 4.02Å; F174-Q326 HydrophobicContact CD2-CB 4.47Å; F174-Q326 HydrophobicContact CE1-CB 3.86Å; F174-Q326 HydrophobicContact CE1-CG 4.46Å; F174-Q326 HydrophobicContact CE2-CB 4.4Å; F174-Q326 HydrophobicContact CG-CB 4.26Å; F174-Q326 HydrophobicContact CG-CG 4.13Å; F174-Q326 HydrophobicContact CZ-CB 4.11Å; F174-Q326 VanDerWaalsContact CZ-N 3.26Å; Q326-K328 PolarHBondContact O-N 2.84Å; Q326-K328 VanDerWaalsContact O-N 3.17Å
327N94.1Very high97.1Very high87 Ų8719.8 Ų19.847%0.46510%0.1SC..THydrogen-bonded Turntrans-76.49.9174.271.98.1000114.3K273 Y325 S329K273-N327 WeakPolarHBondContact CE-O 3.26Å; Y325-N327 WeakPolarHBondContact CB-OD1 3.33Å; Y325-N327 PolarHBondContact O-N 3.48Å; Y325-N327 VanDerWaalsContact O-N 3.11Å; N327-S329 VanDerWaalsContact C-N 3.26Å; N327-S329 PolarHBondContact ND2-OG 2.87Å; N327-S329 PolarHBondContact O-N 3.17Å; N327-S329 WeakPolarHBondContact OD1-CB 3.39Å; N327-S329 PolarHBondContact OD1-N 3.09Å; N327-S329 PolarHBondContact OD1-OG 2.75Å
328K95.5Very high96.9Very high54 Ų5420.4 Ų20.424%0.23510%0.102CC..SBendtrans66.916.6-177.6-53.5-172.4179.8-178.50115.9S196 I199 K273 L274 Y325 Q326S196-K328 WeakPolarHBondContact O-CE 3.07Å; S196-K328 PolarHBondContact O-NZ 2.83Å; I199-K328 HydrophobicContact CD1-CG 4.43Å; I199-K328 HydrophobicContact CG1-CG 4.12Å; K273-K328 WeakPolarHBondContact CA-O 3.27Å; L274-K328 HydrophobicContact CB-CB 4.13Å; L274-K328 PolarHBondContact N-O 2.86Å; Y325-K328 WeakPolarHBondContact O-CA 3.4Å; Y325-K328 PolarHBondContact O-N 3.42Å; Q326-K328 PolarHBondContact O-N 2.84Å; Q326-K328 VanDerWaalsContact O-N 3.17Å
329S96.8Very high96.6Very high33 Ų3321.9 Ų21.923%0.23111%0.11CC..EExtended strand (participates in β ladder)trans-75.6143.7166.2-49.20000109.4Y325 N327Y325-S329 WeakPolarHBondContact CD2-O 3.39Å; Y325-S329 PolarHBondContact N-O 2.92Å; N327-S329 VanDerWaalsContact C-N 3.26Å; N327-S329 PolarHBondContact ND2-OG 2.87Å; N327-S329 PolarHBondContact O-N 3.17Å; N327-S329 WeakPolarHBondContact OD1-CB 3.39Å; N327-S329 PolarHBondContact OD1-N 3.09Å; N327-S329 PolarHBondContact OD1-OG 2.75Å
330I97.8Very high96.2Very high1 Ų122.4 Ų22.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-129136.9179.7-59.2-166.3000108.1L227 S271 F272 L274 L322 Q323 L324L227-I330 HydrophobicContact CD1-CD1 4.28Å; L227-I330 HydrophobicContact CD2-CD1 3.86Å; S271-I330 VanDerWaalsContact CA-O 3.3Å; S271-I330 WeakPolarHBondContact CA-O 3.27Å; F272-I330 HydrophobicContact CD2-CB 3.91Å; F272-I330 HydrophobicContact CD2-CG2 4.4Å; F272-I330 HydrophobicContact CE1-CG2 4.34Å; F272-I330 HydrophobicContact CE2-CB 3.59Å; F272-I330 HydrophobicContact CE2-CD1 3.9Å; F272-I330 HydrophobicContact CE2-CG1 4.17Å; F272-I330 HydrophobicContact CE2-CG2 3.64Å; F272-I330 HydrophobicContact CZ-CB 4.04Å; F272-I330 HydrophobicContact CZ-CG2 3.6Å; F272-I330 PolarHBondContact N-O 3.48Å; F272-I330 PolarHBondContact O-N 2.77Å; L274-I330 HydrophobicContact CD1-CD1 3.45Å; L274-I330 VanDerWaalsContact CD1-CD1 3.45Å; L274-I330 HydrophobicContact CD1-CG1 4.28Å; L274-I330 HydrophobicContact CD2-CD1 3.9Å; L274-I330 HydrophobicContact CG-CD1 3.58Å; L274-I330 HydrophobicContact CG-CG1 4.18Å; L322-I330 HydrophobicContact CD1-CG2 3.46Å; L322-I330 VanDerWaalsContact CD1-CG2 3.46Å; Q323-I330 WeakPolarHBondContact O-CA 3.41Å; L324-I330 HydrophobicContact CD2-CB 4.36Å; L324-I330 HydrophobicContact CD2-CD1 3.4Å; L324-I330 HydrophobicContact CD2-CG1 3.55Å; L324-I330 HydrophobicContact CD2-CG2 4.15Å
331I97.8Very high95.7Very high37 Ų3723.6 Ų23.619%0.1912%0.117CC..EExtended strand (participates in β ladder)trans-119.8122.4164.7-52.6176.9000107.1P269 F270 Q323 Y325P269-I331 HydrophobicContact CB-CG2 3.63Å; F270-I331 CarbonylContact O-C 3.4Å; F270-I331 WeakPolarHBondContact O-CA 3.37Å; Q323-I331 HydrophobicContact CB-CB 4.13Å; Q323-I331 PolarHBondContact N-O 2.83Å; Q323-I331 PolarHBondContact O-N 2.9Å; Y325-I331 HydrophobicContact CE2-CD1 3.92Å; Y325-I331 HydrophobicContact CE2-CG1 4.09Å
332Y98.2Very high95.1Very high0 Ų027.1 Ų27.10%014%0.14CC..EExtended strand (participates in β ladder)trans-114126.7173.1172.9-111.8000109.8L54 S236 I238 F270 I302 L321 L322 V334L54-Y332 HydrophobicContact CD1-CD2 4.27Å; L54-Y332 HydrophobicContact CD1-CE2 3.92Å; S236-Y332 PolarHBondContact OG-OH 2.93Å; I238-Y332 HydrophobicContact CD1-CD1 3.75Å; I238-Y332 HydrophobicContact CD1-CE1 4.4Å; I238-Y332 HydrophobicContact CG1-CD1 4.16Å; I238-Y332 HydrophobicContact CG1-CE1 4.41Å; F270-Y332 PolarHBondContact N-O 2.86Å; F270-Y332 PolarHBondContact O-N 2.81Å; I302-Y332 HydrophobicContact CD1-CD2 4.34Å; I302-Y332 HydrophobicContact CD1-CG 4.15Å; I302-Y332 HydrophobicContact CG2-CD1 4.09Å; I302-Y332 HydrophobicContact CG2-CD2 4.12Å; I302-Y332 HydrophobicContact CG2-CE1 3.76Å; I302-Y332 HydrophobicContact CG2-CE2 3.82Å; I302-Y332 HydrophobicContact CG2-CG 4.23Å; L321-Y332 WeakPolarHBondContact O-CA 3.49Å; L322-Y332 HydrophobicContact CD1-CD2 4.45Å; Y332-V334 HydrophobicContact CE1-CG2 3.81Å; Y332-V334 WeakPolarHBondContact OH-CG2 3.23Å
333T97.9Very high94.6Very high1 Ų127.4 Ų27.41%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-130.8136.9-178.8-54.70000108.8R39 P269 L321 L335R39-T333 HydrophobicContact CB-CG2 4.2Å; P269-T333 WeakPolarHBondContact CB-OG1 3.3Å; P269-T333 HydrophobicContact CG-CG2 4.32Å; L321-T333 PolarHBondContact N-O 2.82Å; L321-T333 PolarHBondContact O-N 2.81Å; T333-L335 HydrophobicContact CG2-CD2 4.39Å
334V98Very high94.1Very high2 Ų228.4 Ų28.41%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-96.4127.8169.6-174.40000108.9S236 I265 P305 Y332 P336S236-V334 WeakPolarHBondContact OG-CG2 3.16Å; I265-V334 HydrophobicContact CD1-CG1 3.98Å; I265-V334 HydrophobicContact CG1-CG1 4.39Å; I265-V334 HydrophobicContact CG2-CB 3.78Å; I265-V334 HydrophobicContact CG2-CG1 3.5Å; I265-V334 VanDerWaalsContact CG2-CG1 3.5Å; P305-V334 HydrophobicContact CG-CG1 3.76Å; Y332-V334 HydrophobicContact CE1-CG2 3.81Å; Y332-V334 WeakPolarHBondContact OH-CG2 3.23Å; V334-P336 WeakPolarHBondContact O-CD 3.39Å
335L98.1Very high93.5Very high0 Ų031.4 Ų31.40%016%0.161CC..EExtended strand (participates in β ladder)trans-90.997.4172.1-53.8-177.9000107.7W38 L40 A89 T93 G318 I319 T333W38-L335 HydrophobicContact CB-CD2 4.1Å; W38-L335 HydrophobicContact CD2-CB 4.03Å; W38-L335 HydrophobicContact CD2-CD1 4.41Å; W38-L335 HydrophobicContact CD2-CD2 4.38Å; W38-L335 HydrophobicContact CE3-CD1 4.3Å; W38-L335 HydrophobicContact CG-CB 4.16Å; W38-L335 HydrophobicContact CG-CD2 4.14Å; W38-L335 HydrophobicContact CZ2-CB 4.15Å; W38-L335 HydrophobicContact CZ3-CD1 4.38Å; L40-L335 HydrophobicContact CD2-CD2 4.19Å; A89-L335 HydrophobicContact CB-CD1 4.03Å; T93-L335 HydrophobicContact CG2-CD1 3.96Å; G318-L335 VanDerWaalsContact CA-O 3.31Å; G318-L335 WeakPolarHBondContact CA-O 3.4Å; I319-L335 HydrophobicContact CB-CB 4.35Å; I319-L335 HydrophobicContact CG2-CD1 4.5Å; I319-L335 PolarHBondContact N-O 2.85Å; I319-L335 WeakPolarHBondContact O-CB 3.16Å; I319-L335 PolarHBondContact O-N 3.47Å; T333-L335 HydrophobicContact CG2-CD2 4.39Å
336P96.3Very high92.9Very high22 Ų2232.9 Ų32.914%0.14317%0.171CC..EExtended strand (participates in β ladder)trans-64.4139.9-174.426.4-36000111A37 W38 I265 V334A37-P336 HydrophobicContact CB-CG 3.86Å; W38-P336 PolarHBondContact NE1-O 2.85Å; I265-P336 HydrophobicContact CB-CB 4.29Å; I265-P336 HydrophobicContact CG2-CB 3.93Å; V334-P336 WeakPolarHBondContact O-CD 3.39Å
337L95.6Very high92.6Very high16 Ų1630 Ų308%0.08416%0.156CC..PPolyproline II helixtrans-103.6155.2174.4-44.4-177.9000109.4W38 Y81 Y85 C307 T317 I319W38-L337 HydrophobicContact CZ2-CD2 3.96Å; Y81-L337 HydrophobicContact CE1-CD1 4.1Å; Y81-L337 WeakPolarHBondContact OH-CB 3.17Å; Y85-L337 HydrophobicContact CD1-CD2 3.63Å; Y85-L337 HydrophobicContact CD2-CB 4.49Å; Y85-L337 HydrophobicContact CD2-CD2 4.36Å; Y85-L337 HydrophobicContact CE1-CD2 4.27Å; Y85-L337 HydrophobicContact CG-CD2 3.66Å; Y85-L337 HydrophobicContact CG-CG 4.47Å; C307-L337 HydrophobicContact CB-CD1 4.33Å; C307-L337 WeakPolarHBondContact O-CD1 3.48Å; T317-L337 PolarHBondContact O-N 3.14Å; I319-L337 HydrophobicContact CD1-CD2 4.3Å; I319-L337 HydrophobicContact CG1-CD1 4.35Å; I319-L337 HydrophobicContact CG1-CD2 4.24Å
338Y90.7Very high92.1Very high14 Ų1427.2 Ų27.26%0.05514%0.143CC..PPolyproline II helixtrans-80.4144.9-178.7116.9-89.6000111.7H30 P31 Y81 Y85 R340 T343H30-Y338 AromaticContact CE1-CD2 3.05Å; H30-Y338 WeakPolarHBondContact CE1-CD2 3.01Å; H30-Y338 AromaticContact CE1-CE2 3.28Å; H30-Y338 WeakPolarHBondContact CE1-CE2 3.39Å; H30-Y338 AromaticContact CE1-CG 3.92Å; H30-Y338 AromaticContact ND1-CD2 3.19Å; H30-Y338 WeakPolarHBondContact ND1-CD2 3.17Å; H30-Y338 AromaticContact ND1-CE2 3.06Å; H30-Y338 WeakPolarHBondContact ND1-CE2 3.41Å; H30-Y338 AromaticContact ND1-CG 3.86Å; H30-Y338 AromaticContact ND1-CZ 3.69Å; P31-Y338 HydrophobicContact CG-CE1 4.38Å; Y81-Y338 HydrophobicContact CD2-CD1 4.45Å; Y81-Y338 HydrophobicContact CD2-CE1 4.37Å; Y81-Y338 AromaticContact CE2-CD1 3.81Å; Y81-Y338 HydrophobicContact CE2-CD1 3.81Å; Y81-Y338 HydrophobicContact CE2-CE1 4.09Å; Y81-Y338 VanDerWaalsContact CE2-O 3.27Å; Y81-Y338 WeakPolarHBondContact CE2-O 3.2Å; Y81-Y338 PolarHBondContact OH-O 2.98Å; Y85-Y338 HydrophobicContact CE2-CD1 4.28Å; Y85-Y338 VanDerWaalsContact OH-CD1 3.28Å; Y85-Y338 WeakPolarHBondContact OH-CD1 3.2Å; Y338-R340 HydrophobicContact CE1-CB 3.79Å; Y338-R340 HydrophobicContact CE1-CG 4.12Å; Y338-R340 HydrophobicContact CE2-CB 4.4Å; Y338-R340 PolarHBondContact O-N 2.7Å; Y338-R340 WeakPolarHBondContact OH-CA 3.39Å; Y338-R340 WeakPolarHBondContact OH-CG 3.23Å; Y338-T343 WeakPolarHBondContact CE2-OG1 3.43Å; Y338-T343 WeakPolarHBondContact OH-CB 3.34Å; Y338-T343 PolarHBondContact OH-OG1 2.94Å
339N90Very high91.5Very high31 Ų3128.1 Ų28.117%0.16615%0.15CC..  trans-73.8104.8171.7-179-11.4000111.6P314 Q315 Y341P314-N339 HydrophobicContact CB-CB 4.45Å; P314-N339 WeakPolarHBondContact O-CB 3.29Å; Q315-N339 PolarHBondContact OE1-ND2 3.45Å; N339-Y341 VanDerWaalsContact C-N 3.35Å; N339-Y341 PolarHBondContact O-N 3.38Å; N339-Y341 WeakPolarHBondContact OD1-CB 3.35Å; N339-Y341 PolarHBondContact OD1-N 3.06Å
340R90.6Very high90.9Very high16 Ų1628 Ų286%0.0615%0.146CC..THydrogen-bonded Turntrans-73.6-18.4-178.4-173.7159.7-178.991.510.7115.3E27 D77 Y81 Y309 Y338 C342 T343 I344E27-R340 IonicContact OE1-CZ 3.87Å; E27-R340 IonicContact OE1-NH1 3.15Å; E27-R340 IonicContact OE1-NH2 3.39Å; E27-R340 PolarHBondContact OE1-NH2 2.9Å; E27-R340 IonicContact OE2-CZ 2.7Å; E27-R340 VanDerWaalsContact OE2-CZ 3.32Å; E27-R340 IonicContact OE2-NH1 3.39Å; E27-R340 PolarHBondContact OE2-NH1 3.03Å; E27-R340 IonicContact OE2-NH2 2.77Å; E27-R340 PolarHBondContact OE2-NH2 3.44Å; D77-R340 VanDerWaalsContact CG-NE 3.33Å; D77-R340 IonicContact OD1-CZ 3.71Å; D77-R340 IonicContact OD1-NE 2.58Å; D77-R340 PolarHBondContact OD1-NE 3.49Å; D77-R340 IonicContact OD1-NH2 3.71Å; D77-R340 PolarHBondContact OD1-NH2 3.31Å; D77-R340 IonicContact OD2-NE 3.31Å; D77-R340 PolarHBondContact OD2-NE 3.26Å; Y81-R340 HydrophobicContact CD2-CB 4.15Å; Y81-R340 HydrophobicContact CE2-CB 4.09Å; Y309-R340 HydrophobicContact CD1-CB 3.68Å; Y309-R340 HydrophobicContact CD2-CB 4.02Å; Y309-R340 HydrophobicContact CE1-CB 3.68Å; Y309-R340 HydrophobicContact CE1-CG 4.06Å; Y309-R340 HydrophobicContact CE2-CB 4.03Å; Y309-R340 HydrophobicContact CE2-CG 4.46Å; Y309-R340 HydrophobicContact CG-CB 3.85Å; Y338-R340 HydrophobicContact CE1-CB 3.79Å; Y338-R340 HydrophobicContact CE1-CG 4.12Å; Y338-R340 HydrophobicContact CE2-CB 4.4Å; Y338-R340 PolarHBondContact O-N 2.7Å; Y338-R340 WeakPolarHBondContact OH-CA 3.39Å; Y338-R340 WeakPolarHBondContact OH-CG 3.23Å; R340-C342 PolarHBondContact O-N 3.26Å; R340-T343 PolarHBondContact O-N 2.84Å; R340-I344 HydrophobicContact CG-CD1 4.01Å; R340-I344 HydrophobicContact CG-CG1 4.07Å; R340-I344 WeakPolarHBondContact O-CG1 3.41Å; R340-I344 PolarHBondContact O-N 2.78Å
341Y88.6Confident90.2Very high25 Ų2532.6 Ų32.610%0.09817%0.17CC..Hα-helixtrans-60-35.3178.6-71.2-53.1000112.9Y309 P314 N339 T343 I344 F345 F396 I399Y309-Y341 HydrophobicContact CD2-CD1 4.02Å; Y309-Y341 AromaticContact CD2-CD2 3.99Å; Y309-Y341 HydrophobicContact CD2-CD2 3.99Å; Y309-Y341 AromaticContact CD2-CE1 3.86Å; Y309-Y341 HydrophobicContact CD2-CE1 3.86Å; Y309-Y341 AromaticContact CD2-CE2 3.83Å; Y309-Y341 HydrophobicContact CD2-CE2 3.83Å; Y309-Y341 HydrophobicContact CD2-CG 4.09Å; Y309-Y341 AromaticContact CD2-CZ 3.76Å; Y309-Y341 AromaticContact CE2-CD1 3.95Å; Y309-Y341 HydrophobicContact CE2-CD1 3.95Å; Y309-Y341 AromaticContact CE2-CE1 3.74Å; Y309-Y341 HydrophobicContact CE2-CE1 3.74Å; Y309-Y341 HydrophobicContact CE2-CG 4.45Å; Y309-Y341 WeakPolarHBondContact O-CE2 3.45Å; Y309-Y341 PolarHBondContact O-OH 2.86Å; P314-Y341 HydrophobicContact CB-CD2 3.51Å; P314-Y341 HydrophobicContact CB-CE2 3.68Å; P314-Y341 HydrophobicContact CG-CD2 3.61Å; P314-Y341 HydrophobicContact CG-CE2 3.73Å; N339-Y341 VanDerWaalsContact C-N 3.35Å; N339-Y341 PolarHBondContact O-N 3.38Å; N339-Y341 WeakPolarHBondContact OD1-CB 3.35Å; N339-Y341 PolarHBondContact OD1-N 3.06Å; Y341-T343 VanDerWaalsContact C-N 3.29Å; Y341-T343 PolarHBondContact O-N 3.28Å; Y341-I344 PolarHBondContact O-N 2.9Å; Y341-F345 VanDerWaalsContact O-CB 3.24Å; Y341-F345 WeakPolarHBondContact O-CB 3.46Å; Y341-F345 PolarHBondContact O-N 2.89Å; Y341-F396 AromaticContact CD1-CD1 3.62Å; Y341-F396 HydrophobicContact CD1-CD1 3.62Å; Y341-F396 AromaticContact CD1-CE1 3.4Å; Y341-F396 HydrophobicContact CD1-CE1 3.4Å; Y341-F396 VanDerWaalsContact CD1-CE1 3.4Å; Y341-F396 HydrophobicContact CE1-CD1 4.34Å; Y341-F396 HydrophobicContact CE1-CE1 4.36Å; Y341-F396 AromaticContact CG-CD1 3.99Å; Y341-F396 HydrophobicContact CG-CD1 3.99Å; Y341-F396 AromaticContact CG-CE1 3.9Å; Y341-F396 HydrophobicContact CG-CE1 3.9Å; Y341-I399 HydrophobicContact CE1-CG2 3.93Å; Y341-I399 WeakPolarHBondContact OH-CG2 3.37Å
342C84.6Confident89.4Confident73 Ų7331.8 Ų31.849%0.49317%0.167SC..Hα-helixtrans-59.1-40.9175.8-67.20000112.3R340 I346R340-C342 PolarHBondContact O-N 3.26Å; C342-I346 WeakPolarHBondContact O-CD1 3.41Å; C342-I346 VanDerWaalsContact O-CG1 3.26Å; C342-I346 WeakPolarHBondContact O-CG1 3.38Å; C342-I346 PolarHBondContact O-N 3.06Å
343T89.3Confident88.7Confident6 Ų635.3 Ų35.34%0.03719%0.186CC..Hα-helixtrans-72.4-43.8179.8-620000111.2Y338 R340 Y341 F345 I346 Y347Y338-T343 WeakPolarHBondContact CE2-OG1 3.43Å; Y338-T343 WeakPolarHBondContact OH-CB 3.34Å; Y338-T343 PolarHBondContact OH-OG1 2.94Å; R340-T343 PolarHBondContact O-N 2.84Å; Y341-T343 VanDerWaalsContact C-N 3.29Å; Y341-T343 PolarHBondContact O-N 3.28Å; T343-F345 VanDerWaalsContact C-N 3.3Å; T343-F345 PolarHBondContact O-N 3.18Å; T343-I346 PolarHBondContact O-N 2.97Å; T343-Y347 HydrophobicContact CG2-CD2 4.26Å; T343-Y347 HydrophobicContact CG2-CE1 3.92Å; T343-Y347 HydrophobicContact CG2-CE2 3.59Å; T343-Y347 VanDerWaalsContact O-CG 3.32Å; T343-Y347 PolarHBondContact O-N 2.76Å
344I87.8Confident88Confident34 Ų3436.2 Ų36.217%0.17419%0.189CC..Hα-helixtrans-60.4-43.9175.9-59.6170.6000109.8Y309 R340 Y341 I346 Y347 C348 F396Y309-I344 HydrophobicContact CE2-CD1 4.09Å; R340-I344 HydrophobicContact CG-CD1 4.01Å; R340-I344 HydrophobicContact CG-CG1 4.07Å; R340-I344 WeakPolarHBondContact O-CG1 3.41Å; R340-I344 PolarHBondContact O-N 2.78Å; Y341-I344 PolarHBondContact O-N 2.9Å; I344-I346 VanDerWaalsContact C-N 3.34Å; I344-I346 PolarHBondContact O-N 3.1Å; I344-Y347 WeakPolarHBondContact O-CB 3.12Å; I344-Y347 PolarHBondContact O-N 2.8Å; I344-Y347 VanDerWaalsContact O-N 3.09Å; I344-C348 PolarHBondContact O-N 2.81Å; I344-C348 PolarHBondContact O-SG 3.5Å; I344-C348 VanDerWaalsContact O-SG 3.39Å; I344-F396 HydrophobicContact CB-CE1 4.38Å; I344-F396 HydrophobicContact CB-CZ 3.93Å; I344-F396 HydrophobicContact CG2-CE1 4.46Å; I344-F396 HydrophobicContact CG2-CE2 4.45Å; I344-F396 HydrophobicContact CG2-CZ 3.64Å
345F84.5Confident87.3Confident64 Ų6441.3 Ų41.328%0.28122%0.216SC..Hα-helixtrans-60.1-42.3176.7-178.7-100.4000112.3Y341 T343 Y347 C348 L349 F396Y341-F345 VanDerWaalsContact O-CB 3.24Å; Y341-F345 WeakPolarHBondContact O-CB 3.46Å; Y341-F345 PolarHBondContact O-N 2.89Å; T343-F345 VanDerWaalsContact C-N 3.3Å; T343-F345 PolarHBondContact O-N 3.18Å; F345-Y347 VanDerWaalsContact C-N 3.31Å; F345-Y347 PolarHBondContact O-N 2.82Å; F345-C348 PolarHBondContact O-N 2.93Å; F345-L349 WeakPolarHBondContact O-CB 3.37Å; F345-L349 PolarHBondContact O-N 3.12Å; F345-F396 HydrophobicContact CB-CE1 4.42Å; F345-F396 HydrophobicContact CB-CZ 4.17Å
346I85.1Confident86.4Confident75 Ų7541.8 Ų41.839%0.38522%0.22SC..Hα-helixtrans-61.6-40.9174.2-71.1164.5000110.9C342 T343 I344 L349 L350C342-I346 WeakPolarHBondContact O-CD1 3.41Å; C342-I346 VanDerWaalsContact O-CG1 3.26Å; C342-I346 WeakPolarHBondContact O-CG1 3.38Å; C342-I346 PolarHBondContact O-N 3.06Å; T343-I346 PolarHBondContact O-N 2.97Å; I344-I346 VanDerWaalsContact C-N 3.34Å; I344-I346 PolarHBondContact O-N 3.1Å; I346-L349 PolarHBondContact O-N 3.41Å; I346-L350 HydrophobicContact CG2-CD1 3.82Å; I346-L350 HydrophobicContact CG2-CG 4.39Å; I346-L350 WeakPolarHBondContact O-CB 3.09Å; I346-L350 VanDerWaalsContact O-CG 3.24Å; I346-L350 WeakPolarHBondContact O-CG 3.37Å; I346-L350 PolarHBondContact O-N 3.43Å
347Y87.2Confident85.6Confident38 Ų3842.7 Ų42.715%0.14922%0.224CC..Hα-helixtrans-63.2-47.7176.8-63.7-17.1000112C22 L23 G26 E27 T343 I344 F345 L349 L350 I351C22-Y347 HydrophobicContact CB-CE1 4.33Å; C22-Y347 PolarHBondContact O-OH 2.83Å; L23-Y347 HydrophobicContact CD2-CE1 4.41Å; L23-Y347 HydrophobicContact CD2-CE2 4.4Å; G26-Y347 VanDerWaalsContact CA-OH 3.3Å; G26-Y347 WeakPolarHBondContact CA-OH 3.28Å; E27-Y347 VanDerWaalsContact OE1-CE2 3.27Å; E27-Y347 WeakPolarHBondContact OE1-CE2 3.39Å; E27-Y347 PolarHBondContact OE1-OH 3.45Å; T343-Y347 HydrophobicContact CG2-CD2 4.26Å; T343-Y347 HydrophobicContact CG2-CE1 3.92Å; T343-Y347 HydrophobicContact CG2-CE2 3.59Å; T343-Y347 VanDerWaalsContact O-CG 3.32Å; T343-Y347 PolarHBondContact O-N 2.76Å; I344-Y347 WeakPolarHBondContact O-CB 3.12Å; I344-Y347 PolarHBondContact O-N 2.8Å; I344-Y347 VanDerWaalsContact O-N 3.09Å; F345-Y347 VanDerWaalsContact C-N 3.31Å; F345-Y347 PolarHBondContact O-N 2.82Å; Y347-L349 PolarHBondContact O-N 3.01Å; Y347-L350 PolarHBondContact O-N 2.86Å; Y347-I351 WeakPolarHBondContact O-CB 3.3Å; Y347-I351 VanDerWaalsContact O-CG1 3.25Å; Y347-I351 WeakPolarHBondContact O-CG1 3.39Å; Y347-I351 PolarHBondContact O-N 2.84Å
348C83.3Confident84.9Confident30 Ų3048.7 Ų48.720%0.20325%0.249CC..Hα-helixtrans-57.1-47.5175.5-71.10000112I344 F345 L350 I351 T352 E392I344-C348 PolarHBondContact O-N 2.81Å; I344-C348 PolarHBondContact O-SG 3.5Å; I344-C348 VanDerWaalsContact O-SG 3.39Å; F345-C348 PolarHBondContact O-N 2.93Å; C348-L350 PolarHBondContact O-N 2.77Å; C348-I351 PolarHBondContact O-N 2.86Å; C348-T352 WeakPolarHBondContact O-CB 3.04Å; C348-T352 PolarHBondContact O-N 3.16Å; C348-T352 PolarHBondContact O-OG1 2.94Å; C348-E392 WeakPolarHBondContact CB-OE1 3.06Å; C348-E392 WeakPolarHBondContact CB-OE2 3.14Å
349L83.1Confident84.1Confident73 Ų7352.6 Ų52.638%0.38227%0.267SS..Hα-helixtrans-58-45.9176.7-172.983000112F345 I346 Y347 T352 L353 I389F345-L349 WeakPolarHBondContact O-CB 3.37Å; F345-L349 PolarHBondContact O-N 3.12Å; I346-L349 PolarHBondContact O-N 3.41Å; Y347-L349 PolarHBondContact O-N 3.01Å; L349-T352 PolarHBondContact O-N 2.93Å; L349-L353 WeakPolarHBondContact O-CB 3.34Å; L349-L353 PolarHBondContact O-N 2.72Å; L349-I389 HydrophobicContact CD1-CD1 4.02Å; L349-I389 HydrophobicContact CD1-CG1 4.38Å
350L84.7Confident83.4Confident29 Ų2953.5 Ų53.515%0.15227%0.271CS..Hα-helixtrans-67-44.2-179.5-73169.5000112V18 C22 I346 Y347 C348 L353 F354V18-L350 HydrophobicContact CG1-CD2 4.21Å; C22-L350 HydrophobicContact CB-CD1 3.74Å; C22-L350 WeakPolarHBondContact SG-CD1 3.36Å; I346-L350 HydrophobicContact CG2-CD1 3.82Å; I346-L350 HydrophobicContact CG2-CG 4.39Å; I346-L350 WeakPolarHBondContact O-CB 3.09Å; I346-L350 VanDerWaalsContact O-CG 3.24Å; I346-L350 WeakPolarHBondContact O-CG 3.37Å; I346-L350 PolarHBondContact O-N 3.43Å; Y347-L350 PolarHBondContact O-N 2.86Å; C348-L350 PolarHBondContact O-N 2.77Å; L350-L353 PolarHBondContact O-N 3.14Å; L350-F354 HydrophobicContact CB-CE2 4.18Å; L350-F354 HydrophobicContact CD2-CE2 4.38Å; L350-F354 HydrophobicContact CD2-CZ 4.47Å; L350-F354 WeakPolarHBondContact O-CD2 3.37Å; L350-F354 WeakPolarHBondContact O-CG 3.31Å; L350-F354 PolarHBondContact O-N 2.8Å
351I83.6Confident82.4Confident98 Ų9858.5 Ų58.550%0.50329%0.293SS..Hα-helixtrans-59.2-49.6176.2-70.7166.6000109.7Y347 C348 L353 F354 I355Y347-I351 WeakPolarHBondContact O-CB 3.3Å; Y347-I351 VanDerWaalsContact O-CG1 3.25Å; Y347-I351 WeakPolarHBondContact O-CG1 3.39Å; Y347-I351 PolarHBondContact O-N 2.84Å; C348-I351 PolarHBondContact O-N 2.86Å; I351-L353 VanDerWaalsContact C-N 3.34Å; I351-L353 PolarHBondContact O-N 3.34Å; I351-F354 PolarHBondContact O-N 2.77Å; I351-I355 HydrophobicContact CG2-CD1 3.61Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 WeakPolarHBondContact O-CB 3.36Å; I351-I355 VanDerWaalsContact O-CG1 3.3Å; I351-I355 WeakPolarHBondContact O-CG1 3.08Å; I351-I355 PolarHBondContact O-N 2.93Å
352T81.4Confident81.6Confident20 Ų2064.5 Ų64.512%0.12332%0.317CS..Hα-helixtrans-61.2-42.2179.3-61.50000111.6C348 L349 G356 M385C348-T352 WeakPolarHBondContact O-CB 3.04Å; C348-T352 PolarHBondContact O-N 3.16Å; C348-T352 PolarHBondContact O-OG1 2.94Å; L349-T352 PolarHBondContact O-N 2.93Å; T352-G356 PolarHBondContact O-N 2.99Å; T352-M385 HydrophobicContact CG2-CE 3.93Å; T352-M385 HydrophobicContact CG2-CG 4Å
353L82.7Confident80.7Confident75 Ų7562.3 Ų62.339%0.39330%0.302SS..Hα-helixtrans-61-47.7174.8-178.366.5000112.1L349 L350 I351 G356 L357 M385L349-L353 WeakPolarHBondContact O-CB 3.34Å; L349-L353 PolarHBondContact O-N 2.72Å; L350-L353 PolarHBondContact O-N 3.14Å; I351-L353 VanDerWaalsContact C-N 3.34Å; I351-L353 PolarHBondContact O-N 3.34Å; L353-G356 PolarHBondContact O-N 2.76Å; L353-L357 HydrophobicContact CD1-CD1 4.44Å; L353-L357 HydrophobicContact CD1-CG 4.49Å; L353-L357 HydrophobicContact CG-CD1 4.17Å; L353-L357 WeakPolarHBondContact O-CB 3.37Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.37Å; L353-L357 PolarHBondContact O-N 2.87Å; L353-M385 HydrophobicContact CD1-CE 4.43Å
354F84.1Confident79.7Confident19 Ų1965.4 Ų65.48%0.08332%0.319CS..Hα-helixtrans-69.2-38.1-178-67.2-43.5000112.8Q15 V18 I19 L350 I351 L357 K358Q15-F354 HydrophobicContact CB-CD1 4.06Å; Q15-F354 HydrophobicContact CB-CE1 3.83Å; Q15-F354 HydrophobicContact CB-CZ 4.23Å; Q15-F354 HydrophobicContact CG-CD1 3.78Å; Q15-F354 HydrophobicContact CG-CE1 3.67Å; V18-F354 HydrophobicContact CB-CZ 4.1Å; V18-F354 HydrophobicContact CG1-CE2 4.5Å; V18-F354 HydrophobicContact CG1-CZ 3.89Å; I19-F354 HydrophobicContact CD1-CD2 3.86Å; I19-F354 HydrophobicContact CD1-CE2 3.85Å; I19-F354 HydrophobicContact CG1-CD2 3.93Å; I19-F354 HydrophobicContact CG1-CE2 3.43Å; I19-F354 VanDerWaalsContact CG1-CE2 3.43Å; I19-F354 HydrophobicContact CG1-CZ 4.34Å; L350-F354 HydrophobicContact CB-CE2 4.18Å; L350-F354 HydrophobicContact CD2-CE2 4.38Å; L350-F354 HydrophobicContact CD2-CZ 4.47Å; L350-F354 WeakPolarHBondContact O-CD2 3.37Å; L350-F354 WeakPolarHBondContact O-CG 3.31Å; L350-F354 PolarHBondContact O-N 2.8Å; I351-F354 PolarHBondContact O-N 2.77Å; F354-L357 HydrophobicContact CD1-CD1 4.4Å; F354-L357 PolarHBondContact O-N 2.79Å; F354-K358 WeakPolarHBondContact O-CG 3.12Å; F354-K358 PolarHBondContact O-N 2.66Å
355I81.9Confident78.8Confident110 Ų11067.1 Ų67.156%0.56433%0.333SS*.Hα-helixtrans-62.2-48.1172.2-68.1170.9000109.9I351 L357 K358 F359I351-I355 HydrophobicContact CG2-CD1 3.61Å; I351-I355 HydrophobicContact CG2-CG1 4.38Å; I351-I355 WeakPolarHBondContact O-CB 3.36Å; I351-I355 VanDerWaalsContact O-CG1 3.3Å; I351-I355 WeakPolarHBondContact O-CG1 3.08Å; I351-I355 PolarHBondContact O-N 2.93Å; I355-L357 PolarHBondContact O-N 3.08Å; I355-K358 PolarHBondContact O-N 2.89Å; I355-F359 WeakPolarHBondContact O-CB 3.22Å; I355-F359 PolarHBondContact O-N 2.96Å
356G79Confident77.9Confident10 Ų1069.4 Ų69.410%0.10335%0.348CS..Hα-helixtrans-58.2-44.1177.800000112.8T352 L353 F359 I360T352-G356 PolarHBondContact O-N 2.99Å; L353-G356 PolarHBondContact O-N 2.76Å; G356-F359 PolarHBondContact O-N 3.01Å; G356-I360 VanDerWaalsContact O-CG1 3.28Å; G356-I360 WeakPolarHBondContact O-CG1 3.37Å; G356-I360 PolarHBondContact O-N 2.82Å
357L80.5Confident76.5Confident41 Ų4167.4 Ų67.422%0.21534%0.34CS..Hα-helixtrans-63.3-43.6176.8-73.7173.5000112.5L353 F354 I355 F359 F361L353-L357 HydrophobicContact CD1-CD1 4.44Å; L353-L357 HydrophobicContact CD1-CG 4.49Å; L353-L357 HydrophobicContact CG-CD1 4.17Å; L353-L357 WeakPolarHBondContact O-CB 3.37Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.37Å; L353-L357 PolarHBondContact O-N 2.87Å; F354-L357 HydrophobicContact CD1-CD1 4.4Å; F354-L357 PolarHBondContact O-N 2.79Å; I355-L357 PolarHBondContact O-N 3.08Å; L357-F359 VanDerWaalsContact C-N 3.32Å; L357-F361 PolarHBondContact O-N 2.82Å
358K79.5Confident74.8Confident142 Ų14274.9 Ų74.962%0.61737%0.374SS*.Hα-helixtrans-63.9-39.3175.8-76.7-172.7177.5-178.40111.6F354 I355 F361 Y362F354-K358 WeakPolarHBondContact O-CG 3.12Å; F354-K358 PolarHBondContact O-N 2.66Å; I355-K358 PolarHBondContact O-N 2.89Å; K358-F361 PolarHBondContact O-N 2.85Å; K358-Y362 PolarHBondContact O-N 2.87Å
359F75.8Confident73.5Confident95 Ų9582.4 Ų82.442%0.41740%0.403SS..Hα-helixtrans-71.7-44.1-178.3-170.4-110.2000112.8I355 G356 L357 F361 Y362 C363 F377 I381I355-F359 WeakPolarHBondContact O-CB 3.22Å; I355-F359 PolarHBondContact O-N 2.96Å; G356-F359 PolarHBondContact O-N 3.01Å; L357-F359 VanDerWaalsContact C-N 3.32Å; F359-F361 PolarHBondContact O-N 2.91Å; F359-Y362 WeakPolarHBondContact O-CB 3.26Å; F359-Y362 PolarHBondContact O-N 3.05Å; F359-Y362 VanDerWaalsContact O-N 3.15Å; F359-C363 PolarHBondContact O-N 2.82Å; F359-C363 PolarHBondContact O-SG 2.9Å; F359-C363 VanDerWaalsContact O-SG 3.36Å; F359-F377 HydrophobicContact CD1-CE1 4.09Å; F359-F377 HydrophobicContact CD1-CZ 4.34Å; F359-F377 AromaticContact CE1-CE1 3.46Å; F359-F377 HydrophobicContact CE1-CE1 3.46Å; F359-F377 VanDerWaalsContact CE1-CE1 3.46Å; F359-F377 AromaticContact CE1-CZ 3.3Å; F359-F377 HydrophobicContact CE1-CZ 3.3Å; F359-F377 HydrophobicContact CZ-CE1 4.24Å; F359-F377 AromaticContact CZ-CZ 3.75Å; F359-F377 HydrophobicContact CZ-CZ 3.75Å; F359-I381 HydrophobicContact CD1-CD1 3.69Å; F359-I381 HydrophobicContact CD1-CG1 4.39Å; F359-I381 HydrophobicContact CE1-CD1 4.08Å
360I73.5Confident72.3Confident50 Ų5084.9 Ų84.926%0.25641%0.411SS..Hα-helixtrans-55-39172.4-70.1165.8000110.6G356 N364 L378 I381G356-I360 VanDerWaalsContact O-CG1 3.28Å; G356-I360 WeakPolarHBondContact O-CG1 3.37Å; G356-I360 PolarHBondContact O-N 2.82Å; I360-N364 WeakPolarHBondContact O-CB 3.38Å; I360-N364 PolarHBondContact O-N 3.16Å; I360-N364 PolarHBondContact O-ND2 3.41Å; I360-L378 HydrophobicContact CD1-CD1 3.75Å; I360-L378 HydrophobicContact CG1-CD1 4.35Å; I360-I381 HydrophobicContact CG1-CD1 3.74Å
361F70.7Confident71.3Confident122 Ų12292 Ų9254%0.53544%0.44SS..Hα-helixtrans-69.3-45177.8-179.5-96.8000113L357 K358 F359 C363 N364 S365L357-F361 PolarHBondContact O-N 2.82Å; K358-F361 PolarHBondContact O-N 2.85Å; F359-F361 PolarHBondContact O-N 2.91Å; F361-C363 PolarHBondContact O-N 2.83Å; F361-N364 PolarHBondContact O-N 2.8Å; F361-N364 VanDerWaalsContact O-N 3.17Å; F361-S365 WeakPolarHBondContact CE1-OG 3.38Å; F361-S365 PolarHBondContact O-N 2.99Å; F361-S365 PolarHBondContact O-OG 3.42Å
362Y70.4Confident70.4Confident150 Ų15095.3 Ų95.359%0.58845%0.448SS*.Hα-helixtrans-55.2-44174.4-176.6-103.8000110.8K358 F359 S365 I366K358-Y362 PolarHBondContact O-N 2.87Å; F359-Y362 WeakPolarHBondContact O-CB 3.26Å; F359-Y362 PolarHBondContact O-N 3.05Å; F359-Y362 VanDerWaalsContact O-N 3.15Å; Y362-S365 PolarHBondContact O-N 2.89Å; Y362-I366 HydrophobicContact CD1-CD1 3.76Å; Y362-I366 HydrophobicContact CD2-CD1 4.22Å; Y362-I366 HydrophobicContact CE1-CD1 3.26Å; Y362-I366 HydrophobicContact CE2-CD1 3.78Å; Y362-I366 HydrophobicContact CG-CD1 4.22Å; Y362-I366 WeakPolarHBondContact O-CG1 3.43Å; Y362-I366 PolarHBondContact O-N 2.83Å; Y362-I366 VanDerWaalsContact O-N 3.14Å
363C67.1Low69.4Low28 Ų28101.9 Ų101.919%0.18947%0.471CS..Hα-helixtrans-67.6-39.3176.3-650000113.5F359 F361 S365 I366 S367 F377F359-C363 PolarHBondContact O-N 2.82Å; F359-C363 PolarHBondContact O-SG 2.9Å; F359-C363 VanDerWaalsContact O-SG 3.36Å; F361-C363 PolarHBondContact O-N 2.83Å; C363-S365 VanDerWaalsContact C-N 3.26Å; C363-S365 PolarHBondContact O-N 2.85Å; C363-I366 PolarHBondContact O-N 3.03Å; C363-S367 VanDerWaalsContact O-CB 3.24Å; C363-S367 WeakPolarHBondContact O-CB 3.38Å; C363-S367 PolarHBondContact O-N 2.92Å; C363-F377 HydrophobicContact CB-CE1 4.12Å; C363-F377 WeakPolarHBondContact SG-CE1 3.48Å
364N67.5Low68.1Low71 Ų71101.5 Ų101.538%0.3847%0.467SS..Hα-helixtrans-65.9-30.3175-79.4-26.9000112.6I360 F361I360-N364 WeakPolarHBondContact O-CB 3.38Å; I360-N364 PolarHBondContact O-N 3.16Å; I360-N364 PolarHBondContact O-ND2 3.41Å; F361-N364 PolarHBondContact O-N 2.8Å; F361-N364 VanDerWaalsContact O-N 3.17Å
365S68.5Low67.2Low69 Ų69108.2 Ų108.248%0.48350%0.496SS..Hα-helixtrans-73.9-33.3177.1-58.50000111.8F361 Y362 C363F361-S365 WeakPolarHBondContact CE1-OG 3.38Å; F361-S365 PolarHBondContact O-N 2.99Å; F361-S365 PolarHBondContact O-OG 3.42Å; Y362-S365 PolarHBondContact O-N 2.89Å; C363-S365 VanDerWaalsContact C-N 3.26Å; C363-S365 PolarHBondContact O-N 2.85Å
366I65.3Low66.5Low113 Ų113105.8 Ų105.858%0.57948%0.483SS*.Hα-helixtrans-87-34.6-179.7-67.7170.9000112.3Y362 C363 F368Y362-I366 HydrophobicContact CD1-CD1 3.76Å; Y362-I366 HydrophobicContact CD2-CD1 4.22Å; Y362-I366 HydrophobicContact CE1-CD1 3.26Å; Y362-I366 HydrophobicContact CE2-CD1 3.78Å; Y362-I366 HydrophobicContact CG-CD1 4.22Å; Y362-I366 WeakPolarHBondContact O-CG1 3.43Å; Y362-I366 PolarHBondContact O-N 2.83Å; Y362-I366 VanDerWaalsContact O-N 3.14Å; C363-I366 PolarHBondContact O-N 3.03Å; I366-F368 PolarHBondContact O-N 3.36Å
367S55.8Low65.7Low32 Ų32108.7 Ų108.722%0.22449%0.493CS..  trans-104.169.4-170.5-164.40000112.6C363 K369 Q374C363-S367 VanDerWaalsContact O-CB 3.24Å; C363-S367 WeakPolarHBondContact O-CB 3.38Å; C363-S367 PolarHBondContact O-N 2.92Å; S367-K369 VanDerWaalsContact C-N 3.28Å; S367-Q374 PolarHBondContact O-NE2 2.99Å
368F52.9Low65Low196 Ų196110.6 Ų110.686%0.8650%0.503SS*.SBendtrans-78.2-9.5171.1-121.7-88.1000113.5I366I366-F368 PolarHBondContact O-N 3.36Å
369K55.7Low64.5Low187 Ų187109.1 Ų109.181%0.81350%0.502SS*.SBendtrans-105.2-8.8-171.9-80-172.2176-179.80117.1S367S367-K369 VanDerWaalsContact C-N 3.28Å
370F58Low64.1Low126 Ų126108.6 Ų108.655%0.55350%0.502SS*.  trans-136.681.6-173.5-70-79000114.4Y372 W373 Q374F370-Y372 VanDerWaalsContact C-N 3.26Å; F370-Y372 PolarHBondContact O-N 2.93Å; F370-W373 HydrophobicContact CB-CB 3.91Å; F370-W373 HydrophobicContact CB-CG 4.15Å; F370-W373 AromaticContact CD1-CD1 3.86Å; F370-W373 AromaticContact CG-CD1 3.95Å; F370-W373 PolarHBondContact O-N 3.08Å; F370-Q374 PolarHBondContact O-N 2.94Å
371K63.1Low63.6Low177 Ų177106.8 Ų106.877%0.7749%0.493SS*.Hα-helixtrans-56.7-31.6176.9-78.5-178.7177174.60114.7
372Y65.5Low63.5Low168 Ų168104.9 Ų104.966%0.65949%0.488SS*.Hα-helixtrans-71.3-43.2178.5-178.1-104.4000111.7F370 Q374 K375 I376F370-Y372 VanDerWaalsContact C-N 3.26Å; F370-Y372 PolarHBondContact O-N 2.93Å; Y372-Q374 VanDerWaalsContact C-N 3.3Å; Y372-Q374 PolarHBondContact O-N 3.3Å; Y372-K375 PolarHBondContact O-N 3.42Å; Y372-K375 VanDerWaalsContact O-N 3.15Å; Y372-I376 HydrophobicContact CD1-CD1 3.87Å; Y372-I376 HydrophobicContact CE1-CD1 3.23Å; Y372-I376 HydrophobicContact CE1-CG1 4.26Å; Y372-I376 PolarHBondContact O-N 3.27Å
373W58.9Low63.6Low159 Ų159101.5 Ų101.560%0.60248%0.482SS*.Hα-helixtrans-63.5-33.9176.5-78.195.1000112.4F370 K375 I376 F377F370-W373 HydrophobicContact CB-CB 3.91Å; F370-W373 HydrophobicContact CB-CG 4.15Å; F370-W373 AromaticContact CD1-CD1 3.86Å; F370-W373 AromaticContact CG-CD1 3.95Å; F370-W373 PolarHBondContact O-N 3.08Å; W373-K375 VanDerWaalsContact C-N 3.28Å; W373-K375 PolarHBondContact O-N 3.48Å; W373-I376 PolarHBondContact O-N 3.07Å; W373-F377 WeakPolarHBondContact O-CB 3.34Å; W373-F377 PolarHBondContact O-N 3.38Å
374Q57Low63.4Low67 Ų67104.7 Ų104.731%0.31350%0.497SS..Hα-helixtrans-57.1-39.1173.4-70.7175.3-16.200112.9S367 F370 Y372 L378S367-Q374 PolarHBondContact O-NE2 2.99Å; F370-Q374 PolarHBondContact O-N 2.94Å; Y372-Q374 VanDerWaalsContact C-N 3.3Å; Y372-Q374 PolarHBondContact O-N 3.3Å; Q374-L378 WeakPolarHBondContact O-CB 3.42Å; Q374-L378 PolarHBondContact O-N 3.4Å
375K65.5Low63.2Low160 Ų160103.4 Ų103.470%0.69649%0.489SS*.Hα-helixtrans-73.1-47.2-179.7-70.1-174178.9-1770112.4Y372 W373 F377 L378 L379Y372-K375 PolarHBondContact O-N 3.42Å; Y372-K375 VanDerWaalsContact O-N 3.15Å; W373-K375 VanDerWaalsContact C-N 3.28Å; W373-K375 PolarHBondContact O-N 3.48Å; K375-F377 PolarHBondContact O-N 2.83Å; K375-L378 PolarHBondContact O-N 3.29Å; K375-L379 PolarHBondContact O-N 2.75Å
376I67Low63.1Low59 Ų59105.1 Ų105.130%0.30349%0.493SS..Hα-helixtrans-59.1-41.7175.2-69.3178.6000109.7Y372 W373 L379 I380Y372-I376 HydrophobicContact CD1-CD1 3.87Å; Y372-I376 HydrophobicContact CE1-CD1 3.23Å; Y372-I376 HydrophobicContact CE1-CG1 4.26Å; Y372-I376 PolarHBondContact O-N 3.27Å; W373-I376 PolarHBondContact O-N 3.07Å; I376-L379 WeakPolarHBondContact O-CB 3.15Å; I376-L379 PolarHBondContact O-N 2.89Å; I376-I380 HydrophobicContact CG2-CD1 3.92Å; I376-I380 WeakPolarHBondContact O-CG1 3.27Å; I376-I380 PolarHBondContact O-N 3.25Å
377F62.1Low63Low70 Ų70103.9 Ų103.931%0.30749%0.486SS..Hα-helixtrans-70.2-41.8-178.3-165.7-102.2000113F359 C363 W373 K375 L379 I380 I381F359-F377 HydrophobicContact CD1-CE1 4.09Å; F359-F377 HydrophobicContact CD1-CZ 4.34Å; F359-F377 AromaticContact CE1-CE1 3.46Å; F359-F377 HydrophobicContact CE1-CE1 3.46Å; F359-F377 VanDerWaalsContact CE1-CE1 3.46Å; F359-F377 AromaticContact CE1-CZ 3.3Å; F359-F377 HydrophobicContact CE1-CZ 3.3Å; F359-F377 HydrophobicContact CZ-CE1 4.24Å; F359-F377 AromaticContact CZ-CZ 3.75Å; F359-F377 HydrophobicContact CZ-CZ 3.75Å; C363-F377 HydrophobicContact CB-CE1 4.12Å; C363-F377 WeakPolarHBondContact SG-CE1 3.48Å; W373-F377 WeakPolarHBondContact O-CB 3.34Å; W373-F377 PolarHBondContact O-N 3.38Å; K375-F377 PolarHBondContact O-N 2.83Å; F377-L379 VanDerWaalsContact C-N 3.26Å; F377-L379 PolarHBondContact O-N 2.94Å; F377-I380 PolarHBondContact O-N 3.36Å; F377-I381 HydrophobicContact CD1-CD1 3.76Å; F377-I381 HydrophobicContact CD1-CG1 4.31Å; F377-I381 HydrophobicContact CE1-CD1 3.58Å; F377-I381 HydrophobicContact CE1-CG1 4.19Å; F377-I381 HydrophobicContact CZ-CD1 4.5Å; F377-I381 WeakPolarHBondContact O-CG1 3.41Å; F377-I381 PolarHBondContact O-N 2.81Å
378L65.2Low63.2Low81 Ų81106.3 Ų106.342%0.42450%0.495SS..Hα-helixtrans-58.6-40.3171.9-178.267.4000111.3I360 Q374 K375 I381 I382I360-L378 HydrophobicContact CD1-CD1 3.75Å; I360-L378 HydrophobicContact CG1-CD1 4.35Å; Q374-L378 WeakPolarHBondContact O-CB 3.42Å; Q374-L378 PolarHBondContact O-N 3.4Å; K375-L378 PolarHBondContact O-N 3.29Å; L378-I381 PolarHBondContact O-N 2.92Å; L378-I382 HydrophobicContact CG-CD1 4.16Å; L378-I382 WeakPolarHBondContact O-CG1 3.44Å; L378-I382 PolarHBondContact O-N 3.04Å
379L69.2Low63.7Low112 Ų11299 Ų9959%0.58647%0.465SS*.Hα-helixtrans-63.2-44.8175.3-175.868000111.3K375 I376 F377 I381 I382 V383K375-L379 PolarHBondContact O-N 2.75Å; I376-L379 WeakPolarHBondContact O-CB 3.15Å; I376-L379 PolarHBondContact O-N 2.89Å; F377-L379 VanDerWaalsContact C-N 3.26Å; F377-L379 PolarHBondContact O-N 2.94Å; L379-I381 VanDerWaalsContact C-N 3.31Å; L379-I381 PolarHBondContact O-N 2.97Å; L379-I382 PolarHBondContact O-N 3.04Å; L379-V383 WeakPolarHBondContact O-CB 3.45Å; L379-V383 VanDerWaalsContact O-CG2 3.28Å; L379-V383 WeakPolarHBondContact O-CG2 3.48Å; L379-V383 PolarHBondContact O-N 3.28Å
380I66.6Low64.1Low84 Ų8497.2 Ų97.243%0.43145%0.454SS..Hα-helixtrans-60-41.1175.2-68.8166.7000110.9I376 F377 V383 L384I376-I380 HydrophobicContact CG2-CD1 3.92Å; I376-I380 WeakPolarHBondContact O-CG1 3.27Å; I376-I380 PolarHBondContact O-N 3.25Å; F377-I380 PolarHBondContact O-N 3.36Å; I380-V383 CarbonylContact O-C 3.51Å; I380-V383 PolarHBondContact O-N 2.72Å; I380-L384 HydrophobicContact CG2-CD1 3.92Å; I380-L384 HydrophobicContact CG2-CG 4.29Å; I380-L384 WeakPolarHBondContact O-CB 3.29Å; I380-L384 WeakPolarHBondContact O-CG 3.47Å; I380-L384 PolarHBondContact O-N 3.5Å
381I63.1Low64.2Low12 Ų1294.3 Ų94.36%0.06244%0.443CS..Hα-helixtrans-65-45.3175.9-69.2173.8000111.1F359 I360 F377 L378 L379 V383 L384 M385F359-I381 HydrophobicContact CD1-CD1 3.69Å; F359-I381 HydrophobicContact CD1-CG1 4.39Å; F359-I381 HydrophobicContact CE1-CD1 4.08Å; I360-I381 HydrophobicContact CG1-CD1 3.74Å; F377-I381 HydrophobicContact CD1-CD1 3.76Å; F377-I381 HydrophobicContact CD1-CG1 4.31Å; F377-I381 HydrophobicContact CE1-CD1 3.58Å; F377-I381 HydrophobicContact CE1-CG1 4.19Å; F377-I381 HydrophobicContact CZ-CD1 4.5Å; F377-I381 WeakPolarHBondContact O-CG1 3.41Å; F377-I381 PolarHBondContact O-N 2.81Å; L378-I381 PolarHBondContact O-N 2.92Å; L379-I381 VanDerWaalsContact C-N 3.31Å; L379-I381 PolarHBondContact O-N 2.97Å; I381-V383 PolarHBondContact O-N 2.74Å; I381-L384 CarbonylContact O-C 3.57Å; I381-L384 PolarHBondContact O-N 3.27Å; I381-L384 VanDerWaalsContact O-N 3.15Å; I381-M385 HydrophobicContact CG2-CG 4.18Å; I381-M385 HydrophobicContact CG2-SD 4.18Å; I381-M385 WeakPolarHBondContact O-CB 3.47Å; I381-M385 WeakPolarHBondContact O-CG 3.49Å; I381-M385 PolarHBondContact O-N 3.36Å
382I69.3Low64Low82 Ų8287 Ų8742%0.42141%0.412SS..Hα-helixtrans-59.4-41.9176.1-70.3166.9000109.6L378 L379 M385 L386L378-I382 HydrophobicContact CG-CD1 4.16Å; L378-I382 WeakPolarHBondContact O-CG1 3.44Å; L378-I382 PolarHBondContact O-N 3.04Å; L379-I382 PolarHBondContact O-N 3.04Å; I382-M385 PolarHBondContact O-N 3.48Å; I382-L386 HydrophobicContact CG2-CD1 3.85Å; I382-L386 HydrophobicContact CG2-CG 4.31Å; I382-L386 VanDerWaalsContact O-CB 3.3Å; I382-L386 WeakPolarHBondContact O-CB 3.25Å; I382-L386 WeakPolarHBondContact O-CG 3.49Å; I382-L386 PolarHBondContact O-N 2.71Å
383V72.3Confident63.7Low79 Ų7981.9 Ų81.948%0.47940%0.4SS..Hα-helixtrans-63.8-43.3175171.40000111.2L379 I380 I381 L386 L387L379-V383 WeakPolarHBondContact O-CB 3.45Å; L379-V383 VanDerWaalsContact O-CG2 3.28Å; L379-V383 WeakPolarHBondContact O-CG2 3.48Å; L379-V383 PolarHBondContact O-N 3.28Å; I380-V383 CarbonylContact O-C 3.51Å; I380-V383 PolarHBondContact O-N 2.72Å; I381-V383 PolarHBondContact O-N 2.74Å; V383-L386 CarbonylContact O-C 3.48Å; V383-L386 PolarHBondContact O-N 2.82Å; V383-L387 WeakPolarHBondContact O-CB 3.49Å; V383-L387 PolarHBondContact O-N 3.24Å
384L62.7Low63.7Low95 Ų9576.5 Ų76.550%0.49738%0.383SS..Hα-helixtrans-68-35.6176.9-74.9170.8000112.4I380 I381 L387 M388I380-L384 HydrophobicContact CG2-CD1 3.92Å; I380-L384 HydrophobicContact CG2-CG 4.29Å; I380-L384 WeakPolarHBondContact O-CB 3.29Å; I380-L384 WeakPolarHBondContact O-CG 3.47Å; I380-L384 PolarHBondContact O-N 3.5Å; I381-L384 CarbonylContact O-C 3.57Å; I381-L384 PolarHBondContact O-N 3.27Å; I381-L384 VanDerWaalsContact O-N 3.15Å; L384-L387 CarbonylContact O-C 3.44Å; L384-L387 PolarHBondContact O-N 3Å; L384-M388 VanDerWaalsContact O-CB 3.25Å; L384-M388 WeakPolarHBondContact O-CB 3.49Å; L384-M388 WeakPolarHBondContact O-CG 3.3Å; L384-M388 PolarHBondContact O-N 3.14Å
385M62.7Low63.6Low43 Ų4377.1 Ų77.121%0.21239%0.388CS..Hα-helixtrans-68.2-42.7172.7-76.4-173.573.900110.5T352 L353 I381 I382 L387 M388 I389T352-M385 HydrophobicContact CG2-CE 3.93Å; T352-M385 HydrophobicContact CG2-CG 4Å; L353-M385 HydrophobicContact CD1-CE 4.43Å; I381-M385 HydrophobicContact CG2-CG 4.18Å; I381-M385 HydrophobicContact CG2-SD 4.18Å; I381-M385 WeakPolarHBondContact O-CB 3.47Å; I381-M385 WeakPolarHBondContact O-CG 3.49Å; I381-M385 PolarHBondContact O-N 3.36Å; I382-M385 PolarHBondContact O-N 3.48Å; M385-L387 VanDerWaalsContact C-N 3.3Å; M385-M388 PolarHBondContact O-N 2.85Å; M385-I389 WeakPolarHBondContact O-CB 3.3Å; M385-I389 WeakPolarHBondContact O-CG1 3.45Å; M385-I389 PolarHBondContact O-N 2.82Å
386L67.5Low63Low106 Ų10671.4 Ų71.456%0.55536%0.363SS*.Hα-helixtrans-66.4-35.2173.7-73.1171.5000111.5I382 V383 Y390I382-L386 HydrophobicContact CG2-CD1 3.85Å; I382-L386 HydrophobicContact CG2-CG 4.31Å; I382-L386 VanDerWaalsContact O-CB 3.3Å; I382-L386 WeakPolarHBondContact O-CB 3.25Å; I382-L386 WeakPolarHBondContact O-CG 3.49Å; I382-L386 PolarHBondContact O-N 2.71Å; V383-L386 CarbonylContact O-C 3.48Å; V383-L386 PolarHBondContact O-N 2.82Å; L386-Y390 WeakPolarHBondContact O-CA 3.33Å; L386-Y390 WeakPolarHBondContact O-CB 3.24Å; L386-Y390 PolarHBondContact O-N 3.48Å
387L63.2Low62.4Low86 Ų8670.3 Ų70.345%0.4536%0.363SS..Hα-helixtrans-70.6-38.6174.3-160.690.1000110.2V383 L384 M385 Y390 I391V383-L387 WeakPolarHBondContact O-CB 3.49Å; V383-L387 PolarHBondContact O-N 3.24Å; L384-L387 CarbonylContact O-C 3.44Å; L384-L387 PolarHBondContact O-N 3Å; M385-L387 VanDerWaalsContact C-N 3.3Å; L387-Y390 CarbonylContact O-C 3.56Å; L387-Y390 PolarHBondContact O-N 3.04Å; L387-I391 HydrophobicContact CD2-CD1 3.92Å; L387-I391 HydrophobicContact CG-CD1 4.02Å; L387-I391 HydrophobicContact CG-CG1 4.4Å; L387-I391 WeakPolarHBondContact O-CA 3.47Å; L387-I391 WeakPolarHBondContact O-CB 3.39Å; L387-I391 WeakPolarHBondContact O-CG1 3.25Å; L387-I391 PolarHBondContact O-N 3.27Å
388M60.3Low61.8Low83 Ų8373.8 Ų73.841%0.40937%0.374SS..Hα-helixtrans-66.5-43.7173.3-79.5-108.658.900110.7L384 M385 Y390 I391 E392L384-M388 VanDerWaalsContact O-CB 3.25Å; L384-M388 WeakPolarHBondContact O-CB 3.49Å; L384-M388 WeakPolarHBondContact O-CG 3.3Å; L384-M388 PolarHBondContact O-N 3.14Å; M385-M388 PolarHBondContact O-N 2.85Å; M388-Y390 VanDerWaalsContact C-N 3.29Å; M388-Y390 PolarHBondContact O-N 2.68Å; M388-I391 CarbonylContact O-C 3.55Å; M388-I391 PolarHBondContact O-N 2.92Å; M388-E392 WeakPolarHBondContact O-CA 3.44Å; M388-E392 WeakPolarHBondContact O-CB 3.36Å; M388-E392 WeakPolarHBondContact O-CG 3.45Å; M388-E392 PolarHBondContact O-N 2.68Å
389I62.3Low60.9Low43 Ų4372.1 Ų72.122%0.22137%0.365CS..Hα-helixtrans-64.2-37.7172.8-68.1165.7000109.8L349 M385 C393L349-I389 HydrophobicContact CD1-CD1 4.02Å; L349-I389 HydrophobicContact CD1-CG1 4.38Å; M385-I389 WeakPolarHBondContact O-CB 3.3Å; M385-I389 WeakPolarHBondContact O-CG1 3.45Å; M385-I389 PolarHBondContact O-N 2.82Å; I389-C393 WeakPolarHBondContact O-CB 3.29Å; I389-C393 PolarHBondContact O-N 3.46Å; I389-C393 PolarHBondContact O-SG 3.39Å
390Y65.4Low59.8Low149 Ų14968 Ų6858%0.58435%0.349SS*.Hα-helixtrans-69-44.4176.2174.9-92.1000111.4L386 L387 M388 E392 C393 D394L386-Y390 WeakPolarHBondContact O-CA 3.33Å; L386-Y390 WeakPolarHBondContact O-CB 3.24Å; L386-Y390 PolarHBondContact O-N 3.48Å; L387-Y390 CarbonylContact O-C 3.56Å; L387-Y390 PolarHBondContact O-N 3.04Å; M388-Y390 VanDerWaalsContact C-N 3.29Å; M388-Y390 PolarHBondContact O-N 2.68Å; Y390-E392 VanDerWaalsContact C-N 3.32Å; Y390-C393 CarbonylContact O-C 3.56Å; Y390-C393 PolarHBondContact O-N 2.92Å; Y390-D394 HydrophobicContact CE1-CB 4.32Å; Y390-D394 WeakPolarHBondContact O-CA 3.44Å; Y390-D394 WeakPolarHBondContact O-CB 3.32Å; Y390-D394 PolarHBondContact O-N 3.37Å
391I59.4Low58.5Low65 Ų6572.7 Ų72.733%0.33337%0.367SS..Hα-helixtrans-67-37.6176-71.7169.8000109L387 M388 D394 I395L387-I391 HydrophobicContact CD2-CD1 3.92Å; L387-I391 HydrophobicContact CG-CD1 4.02Å; L387-I391 HydrophobicContact CG-CG1 4.4Å; L387-I391 WeakPolarHBondContact O-CA 3.47Å; L387-I391 WeakPolarHBondContact O-CB 3.39Å; L387-I391 WeakPolarHBondContact O-CG1 3.25Å; L387-I391 PolarHBondContact O-N 3.27Å; M388-I391 CarbonylContact O-C 3.55Å; M388-I391 PolarHBondContact O-N 2.92Å; I391-D394 CarbonylContact O-C 3.57Å; I391-D394 PolarHBondContact O-N 2.71Å; I391-I395 HydrophobicContact CG2-CD1 3.47Å; I391-I395 VanDerWaalsContact CG2-CD1 3.47Å; I391-I395 HydrophobicContact CG2-CG1 3.99Å; I391-I395 WeakPolarHBondContact O-CA 3.45Å; I391-I395 WeakPolarHBondContact O-CB 3.17Å; I391-I395 WeakPolarHBondContact O-CG1 3.28Å; I391-I395 PolarHBondContact O-N 3.49Å
392E58Low57.1Low25 Ų2578.2 Ų78.212%0.11740%0.396CS..Hα-helixtrans-66.5-48172.3-77.7175-17900109.1C348 M388 Y390 D394 I395 F396C348-E392 WeakPolarHBondContact CB-OE1 3.06Å; C348-E392 WeakPolarHBondContact CB-OE2 3.14Å; M388-E392 WeakPolarHBondContact O-CA 3.44Å; M388-E392 WeakPolarHBondContact O-CB 3.36Å; M388-E392 WeakPolarHBondContact O-CG 3.45Å; M388-E392 PolarHBondContact O-N 2.68Å; Y390-E392 VanDerWaalsContact C-N 3.32Å; E392-D394 VanDerWaalsContact C-N 3.27Å; E392-D394 PolarHBondContact O-N 2.86Å; E392-I395 CarbonylContact O-C 3.58Å; E392-I395 PolarHBondContact O-N 2.55Å; E392-F396 WeakPolarHBondContact O-CA 3.23Å; E392-F396 WeakPolarHBondContact O-CB 3.03Å; E392-F396 WeakPolarHBondContact O-CD2 3.33Å; E392-F396 PolarHBondContact O-N 2.88Å
393C60.6Low55.5Low60 Ų6079.2 Ų79.241%0.40540%0.397SS..Hα-helixtrans-61.1-34.7173.9-730000112.4I389 Y390 A397I389-C393 WeakPolarHBondContact O-CB 3.29Å; I389-C393 PolarHBondContact O-N 3.46Å; I389-C393 PolarHBondContact O-SG 3.39Å; Y390-C393 CarbonylContact O-C 3.56Å; Y390-C393 PolarHBondContact O-N 2.92Å; C393-A397 WeakPolarHBondContact O-CA 3.34Å; C393-A397 WeakPolarHBondContact O-CB 3.3Å; C393-A397 PolarHBondContact O-N 3.17Å
394D58.6Low54.7Low45 Ų4579.2 Ų79.224%0.24139%0.393CS..Hα-helixtrans-78.3-37.2177.9-168.650.5000110.8Y390 I391 E392 A397 R398Y390-D394 HydrophobicContact CE1-CB 4.32Å; Y390-D394 WeakPolarHBondContact O-CA 3.44Å; Y390-D394 WeakPolarHBondContact O-CB 3.32Å; Y390-D394 PolarHBondContact O-N 3.37Å; I391-D394 CarbonylContact O-C 3.57Å; I391-D394 PolarHBondContact O-N 2.71Å; E392-D394 VanDerWaalsContact C-N 3.27Å; E392-D394 PolarHBondContact O-N 2.86Å; D394-A397 CarbonylContact O-C 3.58Å; D394-A397 PolarHBondContact O-N 3.11Å; D394-R398 WeakPolarHBondContact O-CA 3.18Å; D394-R398 WeakPolarHBondContact O-CB 3.49Å; D394-R398 WeakPolarHBondContact O-CG 3.41Å; D394-R398 PolarHBondContact O-N 3.26Å; D394-R398 IonicContact OD1-NE 2.84Å; D394-R398 IonicContact OD2-CZ 3.24Å; D394-R398 VanDerWaalsContact OD2-CZ 3.24Å; D394-R398 IonicContact OD2-NE 3.79Å; D394-R398 PolarHBondContact OD2-NE 2.91Å; D394-R398 IonicContact OD2-NH2 2.89Å; D394-R398 PolarHBondContact OD2-NH2 3.26Å
395I55.1Low54.3Low80 Ų8078.4 Ų78.441%0.4139%0.388SS..Hα-helixtrans-68-40.7171.2-74.8171.9000108.7I391 E392 A397 R398 I399I391-I395 HydrophobicContact CG2-CD1 3.47Å; I391-I395 VanDerWaalsContact CG2-CD1 3.47Å; I391-I395 HydrophobicContact CG2-CG1 3.99Å; I391-I395 WeakPolarHBondContact O-CA 3.45Å; I391-I395 WeakPolarHBondContact O-CB 3.17Å; I391-I395 WeakPolarHBondContact O-CG1 3.28Å; I391-I395 PolarHBondContact O-N 3.49Å; E392-I395 CarbonylContact O-C 3.58Å; E392-I395 PolarHBondContact O-N 2.55Å; I395-A397 VanDerWaalsContact C-N 3.34Å; I395-R398 CarbonylContact O-C 3.58Å; I395-R398 PolarHBondContact O-N 3.21Å; I395-I399 HydrophobicContact CG2-CD1 3.38Å; I395-I399 HydrophobicContact CG2-CG1 4.01Å; I395-I399 WeakPolarHBondContact O-CA 3.49Å; I395-I399 WeakPolarHBondContact O-CB 3.48Å; I395-I399 WeakPolarHBondContact O-CG1 3.16Å; I395-I399 PolarHBondContact O-N 3.48Å
396F52.7Low53.8Low40 Ų4080.3 Ų80.318%0.17540%0.397CS..Hα-helixtrans-70.8-32.6173.5-90.4-100.1000111.1Y341 I344 F345 E392 G400Y341-F396 AromaticContact CD1-CD1 3.62Å; Y341-F396 HydrophobicContact CD1-CD1 3.62Å; Y341-F396 AromaticContact CD1-CE1 3.4Å; Y341-F396 HydrophobicContact CD1-CE1 3.4Å; Y341-F396 VanDerWaalsContact CD1-CE1 3.4Å; Y341-F396 HydrophobicContact CE1-CD1 4.34Å; Y341-F396 HydrophobicContact CE1-CE1 4.36Å; Y341-F396 AromaticContact CG-CD1 3.99Å; Y341-F396 HydrophobicContact CG-CD1 3.99Å; Y341-F396 AromaticContact CG-CE1 3.9Å; Y341-F396 HydrophobicContact CG-CE1 3.9Å; I344-F396 HydrophobicContact CB-CE1 4.38Å; I344-F396 HydrophobicContact CB-CZ 3.93Å; I344-F396 HydrophobicContact CG2-CE1 4.46Å; I344-F396 HydrophobicContact CG2-CE2 4.45Å; I344-F396 HydrophobicContact CG2-CZ 3.64Å; F345-F396 HydrophobicContact CB-CE1 4.42Å; F345-F396 HydrophobicContact CB-CZ 4.17Å; E392-F396 WeakPolarHBondContact O-CA 3.23Å; E392-F396 WeakPolarHBondContact O-CB 3.03Å; E392-F396 WeakPolarHBondContact O-CD2 3.33Å; E392-F396 PolarHBondContact O-N 2.88Å; F396-G400 VanDerWaalsContact O-CA 3.3Å; F396-G400 WeakPolarHBondContact O-CA 3.1Å; F396-G400 PolarHBondContact O-N 3.06Å
397A55.1Low53Low37 Ų3778.8 Ų78.831%0.30639%0.388SS..Hα-helixtrans-74.6-30.9173.200000111.3C393 D394 I395 G400 K401C393-A397 WeakPolarHBondContact O-CA 3.34Å; C393-A397 WeakPolarHBondContact O-CB 3.3Å; C393-A397 PolarHBondContact O-N 3.17Å; D394-A397 CarbonylContact O-C 3.58Å; D394-A397 PolarHBondContact O-N 3.11Å; I395-A397 VanDerWaalsContact C-N 3.34Å; A397-G400 CarbonylContact O-C 3.54Å; A397-G400 PolarHBondContact O-N 3.35Å; A397-K401 WeakPolarHBondContact O-CA 3.31Å; A397-K401 WeakPolarHBondContact O-CB 3.16Å; A397-K401 WeakPolarHBondContact O-CG 3.41Å; A397-K401 PolarHBondContact O-N 2.61Å
398R49.2Very low52.4Low143 Ų14378.4 Ų78.454%0.5438%0.384SS..Hα-helixtrans-78.3-50.2173.5-75.1177.4-163.5-148.78.2109.8D394 I395 G400 K401 L402D394-R398 WeakPolarHBondContact O-CA 3.18Å; D394-R398 WeakPolarHBondContact O-CB 3.49Å; D394-R398 WeakPolarHBondContact O-CG 3.41Å; D394-R398 PolarHBondContact O-N 3.26Å; D394-R398 IonicContact OD1-NE 2.84Å; D394-R398 IonicContact OD2-CZ 3.24Å; D394-R398 VanDerWaalsContact OD2-CZ 3.24Å; D394-R398 IonicContact OD2-NE 3.79Å; D394-R398 PolarHBondContact OD2-NE 2.91Å; D394-R398 IonicContact OD2-NH2 2.89Å; D394-R398 PolarHBondContact OD2-NH2 3.26Å; I395-R398 CarbonylContact O-C 3.58Å; I395-R398 PolarHBondContact O-N 3.21Å; R398-G400 PolarHBondContact O-N 2.88Å; R398-K401 PolarHBondContact O-N 2.93Å; R398-L402 HydrophobicContact CB-CB 4.43Å; R398-L402 HydrophobicContact CB-CD1 4.11Å; R398-L402 HydrophobicContact CG-CD1 4.24Å; R398-L402 VanDerWaalsContact O-CA 3.26Å; R398-L402 WeakPolarHBondContact O-CA 3.31Å; R398-L402 WeakPolarHBondContact O-CB 3.25Å; R398-L402 PolarHBondContact O-N 3.38Å
399I46.7Very low51.8Low45 Ų4578.1 Ų78.123%0.23138%0.383CS..Hα-helixtrans-55.7-22.7165.1-63.9171.1000110.7Y341 I395 F403Y341-I399 HydrophobicContact CE1-CG2 3.93Å; Y341-I399 WeakPolarHBondContact OH-CG2 3.37Å; I395-I399 HydrophobicContact CG2-CD1 3.38Å; I395-I399 HydrophobicContact CG2-CG1 4.01Å; I395-I399 WeakPolarHBondContact O-CA 3.49Å; I395-I399 WeakPolarHBondContact O-CB 3.48Å; I395-I399 WeakPolarHBondContact O-CG1 3.16Å; I395-I399 PolarHBondContact O-N 3.48Å; I399-F403 HydrophobicContact CB-CE2 4.41Å; I399-F403 HydrophobicContact CG1-CE2 4.47Å; I399-F403 HydrophobicContact CG2-CD2 4.19Å; I399-F403 HydrophobicContact CG2-CE2 4.18Å; I399-F403 WeakPolarHBondContact O-CD2 3.2Å
400G46Very low51.1Low25 Ų2580.6 Ų80.626%0.25839%0.394SS..THydrogen-bonded Turntrans-94.4-12.417400000116F396 A397 R398F396-G400 VanDerWaalsContact O-CA 3.3Å; F396-G400 WeakPolarHBondContact O-CA 3.1Å; F396-G400 PolarHBondContact O-N 3.06Å; A397-G400 CarbonylContact O-C 3.54Å; A397-G400 PolarHBondContact O-N 3.35Å; R398-G400 PolarHBondContact O-N 2.88Å
401K38.7Very low50Low183 Ų18375.3 Ų75.380%0.79638%0.379SS*.THydrogen-bonded Turntrans-131.3-21.9-174.4-71.9-178171-176.70114.7A397 R398A397-K401 WeakPolarHBondContact O-CA 3.31Å; A397-K401 WeakPolarHBondContact O-CB 3.16Å; A397-K401 WeakPolarHBondContact O-CG 3.41Å; A397-K401 PolarHBondContact O-N 2.61Å; R398-K401 PolarHBondContact O-N 2.93Å
402L33.2Very low49.2Very low128 Ų12876.2 Ų76.267%0.6738%0.383SS*.  trans-80.5-6.5169.7-134.3139.2000109.6R398R398-L402 HydrophobicContact CB-CB 4.43Å; R398-L402 HydrophobicContact CB-CD1 4.11Å; R398-L402 HydrophobicContact CG-CD1 4.24Å; R398-L402 VanDerWaalsContact O-CA 3.26Å; R398-L402 WeakPolarHBondContact O-CA 3.31Å; R398-L402 WeakPolarHBondContact O-CB 3.25Å; R398-L402 PolarHBondContact O-N 3.38Å
403F36.6Very low48.4Very low103 Ų10380.8 Ų80.845%0.45241%0.408SS..  trans-118.90167.9-60.7-58.6000109.5I399I399-F403 HydrophobicContact CB-CE2 4.41Å; I399-F403 HydrophobicContact CG1-CE2 4.47Å; I399-F403 HydrophobicContact CG2-CD2 4.19Å; I399-F403 HydrophobicContact CG2-CE2 4.18Å; I399-F403 WeakPolarHBondContact O-CD2 3.2Å

Retrieved 403 of 403 residues in 693.4 ms (Link to these results)

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