G4VL77_SCHMA Loading...

Putative actin

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4VL77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 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
1M43Very low69.6Low221 Ų22191.5 Ų91.5100%1.08950%0.498SS*.  01200-168.5171177.200106.3L3M1-L3 PolarHBondContact O-N 3.02Å
2V48.5Very low72Confident112 Ų11283.9 Ų83.968%0.67946%0.456SS*.  trans-67.3109.4-179.5179.50000107.1K4V2-K4 HydrophobicContact CG1-CG 4.33Å; V2-K4 PolarHBondContact O-N 3.34Å
3L52.1Low74Confident50 Ų5077.5 Ų77.526%0.26242%0.421SS..  trans-60.2103171.3-76164.5000107.7M1 F5 A135 T363M1-L3 PolarHBondContact O-N 3.02Å; L3-F5 HydrophobicContact CB-CD2 4.36Å; L3-F5 HydrophobicContact CB-CE1 4.23Å; L3-F5 HydrophobicContact CB-CE2 3.79Å; L3-F5 HydrophobicContact CB-CZ 3.73Å; L3-F5 HydrophobicContact CD1-CE1 4.38Å; L3-F5 HydrophobicContact CD1-CE2 4.05Å; L3-F5 HydrophobicContact CD1-CZ 3.54Å; L3-F5 HydrophobicContact CD2-CE1 3.77Å; L3-F5 HydrophobicContact CD2-CZ 3.78Å; L3-F5 HydrophobicContact CG-CE1 4.35Å; L3-F5 HydrophobicContact CG-CE2 4.4Å; L3-F5 HydrophobicContact CG-CZ 3.88Å; L3-A135 HydrophobicContact CD1-CB 4.5Å; L3-T363 HydrophobicContact CD1-CG2 3.23Å; L3-T363 HydrophobicContact CG-CG2 4.34Å
4K54Low75.8Confident182 Ų18271.9 Ų71.979%0.79139%0.391SS*.  trans-96.890163.3-73.4-169.3176.7-177.60106.1V2 G6V2-K4 HydrophobicContact CG1-CG 4.33Å; V2-K4 PolarHBondContact O-N 3.34Å; K4-G6 PolarHBondContact O-N 3.29Å; K4-G6 VanDerWaalsContact O-N 3.08Å
5F66.6Low77.2Confident46 Ų4667.3 Ų67.320%0.20237%0.366CS..  trans-61.9112.1164.4-56.8-61.1000107L3 P106 A135 W361L3-F5 HydrophobicContact CB-CD2 4.36Å; L3-F5 HydrophobicContact CB-CE1 4.23Å; L3-F5 HydrophobicContact CB-CE2 3.79Å; L3-F5 HydrophobicContact CB-CZ 3.73Å; L3-F5 HydrophobicContact CD1-CE1 4.38Å; L3-F5 HydrophobicContact CD1-CE2 4.05Å; L3-F5 HydrophobicContact CD1-CZ 3.54Å; L3-F5 HydrophobicContact CD2-CE1 3.77Å; L3-F5 HydrophobicContact CD2-CZ 3.78Å; L3-F5 HydrophobicContact CG-CE1 4.35Å; L3-F5 HydrophobicContact CG-CE2 4.4Å; L3-F5 HydrophobicContact CG-CZ 3.88Å; F5-P106 HydrophobicContact CB-CG 4.34Å; F5-P106 HydrophobicContact CD1-CG 3.25Å; F5-P106 HydrophobicContact CD2-CG 3.58Å; F5-P106 HydrophobicContact CE1-CB 4.38Å; F5-P106 HydrophobicContact CE1-CG 3.21Å; F5-P106 HydrophobicContact CE2-CB 4.18Å; F5-P106 HydrophobicContact CE2-CG 3.51Å; F5-P106 HydrophobicContact CG-CG 3.43Å; F5-P106 VanDerWaalsContact CG-CG 3.43Å; F5-P106 HydrophobicContact CZ-CB 4.1Å; F5-P106 HydrophobicContact CZ-CG 3.31Å; F5-A135 HydrophobicContact CZ-CB 3.81Å; F5-W361 AromaticContact CE2-CD1 3.72Å; F5-W361 HydrophobicContact CE2-CD2 4.46Å; F5-W361 HydrophobicContact CE2-CG 4.12Å; F5-W361 AromaticContact CE2-NE1 3.82Å
6G66.8Low78.4Confident30 Ų3063.6 Ų63.631%0.30935%0.346SS..  trans-72.3165.8-178.300000111.3K4 D8 N9K4-G6 PolarHBondContact O-N 3.29Å; K4-G6 VanDerWaalsContact O-N 3.08Å; G6-D8 PolarHBondContact O-N 3.23Å; G6-D8 VanDerWaalsContact O-N 3.1Å; G6-N9 CarbonylContact O-C 3.6Å; G6-N9 PolarHBondContact O-N 2.89Å
7P73.2Confident79.4Confident125 Ų12560.7 Ų60.781%0.81233%0.334SS*.THydrogen-bonded Turntrans-59.3-20.1174.525.8-34.1000113.2N9P7-N9 VanDerWaalsContact C-N 3.34Å
8D82.3Confident80.3Confident140 Ų14058 Ų5875%0.74932%0.319SS*.THydrogen-bonded Turntrans-75.6-23.6177.1-55.8-45.6000112.9G6 P10G6-D8 PolarHBondContact O-N 3.23Å; G6-D8 VanDerWaalsContact O-N 3.1Å; D8-P10 VanDerWaalsContact C-CD 3.45Å
9N89.4Confident81.1Confident65 Ų6556.1 Ų56.135%0.34831%0.314SS..SBendtrans-131.958.7-174.7-73.1-22.8000111.1G6 P7 N104G6-N9 CarbonylContact O-C 3.6Å; G6-N9 PolarHBondContact O-N 2.89Å; P7-N9 VanDerWaalsContact C-N 3.34Å; N9-N104 VanDerWaalsContact CB-O 3.25Å; N9-N104 WeakPolarHBondContact CB-O 3.13Å
10P93.3Very high81.8Confident28 Ų2856.9 Ų56.918%0.18232%0.317CS..PPolyproline II helixtrans-65.7147.8-177.428.4-35.4000110.9D8 Y25 H105D8-P10 VanDerWaalsContact C-CD 3.45Å; P10-Y25 HydrophobicContact CB-CD1 4.4Å; P10-Y25 HydrophobicContact CG-CD1 3.6Å; P10-Y25 HydrophobicContact CG-CE1 4.19Å; P10-Y25 HydrophobicContact CG-CG 4.02Å; P10-H105 PolarHBondContact O-ND1 3.36Å
11P96.5Very high82.6Confident8 Ų854.2 Ų54.25%0.05230%0.302CS..PPolyproline II helixtrans-52.2141.9169.4-26.231.5000112.9Y25 S26 P106 A352 W361P11-Y25 WeakPolarHBondContact O-CA 3.37Å; P11-S26 WeakPolarHBondContact CD-OG 3.38Å; P11-S26 PolarHBondContact O-N 3.03Å; P11-P106 CarbonylContact C-O 3.57Å; P11-P106 WeakPolarHBondContact CA-O 3.43Å; P11-P106 HydrophobicContact CB-CB 4.11Å; P11-P106 HydrophobicContact CB-CG 4.49Å; P11-P106 HydrophobicContact CG-CB 4.22Å; P11-P106 HydrophobicContact CG-CG 4.18Å; P11-A352 HydrophobicContact CB-CB 3.95Å; P11-A352 HydrophobicContact CG-CB 4.34Å; P11-W361 HydrophobicContact CB-CH2 3.93Å; P11-W361 HydrophobicContact CB-CZ2 3.79Å; P11-W361 HydrophobicContact CG-CH2 4.43Å; P11-W361 HydrophobicContact CG-CZ2 3.81Å
12I98Very high85.2Confident0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-102130.8173.5-62.9-178.9000108.5I14 V23 G24 Y25 L98 V100 H105 P106 M107 L108I12-I14 HydrophobicContact CG2-CG1 4.08Å; I12-V23 HydrophobicContact CG2-CG2 3.6Å; I12-G24 WeakPolarHBondContact CA-O 3.34Å; I12-Y25 HydrophobicContact CD1-CE1 4.04Å; I12-Y25 HydrophobicContact CG1-CD1 3.85Å; I12-Y25 HydrophobicContact CG1-CE1 3.89Å; I12-L98 HydrophobicContact CD1-CD1 3.79Å; I12-L98 HydrophobicContact CG1-CD1 4.49Å; I12-L98 HydrophobicContact CG2-CD1 3.86Å; I12-V100 HydrophobicContact CD1-CG2 3.76Å; I12-H105 HydrophobicContact CD1-CB 3.78Å; I12-H105 HydrophobicContact CG1-CB 3.85Å; I12-P106 PolarHBondContact N-O 2.93Å; I12-M107 HydrophobicContact CB-CE 3.8Å; I12-M107 HydrophobicContact CB-SD 3.94Å; I12-M107 HydrophobicContact CD1-CE 3.86Å; I12-M107 HydrophobicContact CG1-CE 4.05Å; I12-M107 HydrophobicContact CG2-SD 4.3Å; I12-L108 PolarHBondContact O-N 3.22Å
13V98.5Very high87.6Confident0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-103.1121.7178.51790000108.9V23 G24 L108 W345 A349 A352V13-V23 VanDerWaalsContact O-CA 3.28Å; V13-V23 WeakPolarHBondContact O-CA 3.07Å; V13-G24 PolarHBondContact N-O 3.24Å; V13-G24 PolarHBondContact O-N 2.67Å; V13-L108 CarbonylContact C-O 3.56Å; V13-L108 WeakPolarHBondContact CA-O 3.38Å; V13-L108 HydrophobicContact CG1-CD2 4.1Å; V13-L108 HydrophobicContact CG2-CB 4.27Å; V13-W345 HydrophobicContact CG1-CG 4.25Å; V13-W345 PolarHBondContact O-NE1 2.93Å; V13-W345 VanDerWaalsContact O-NE1 3.09Å; V13-A349 HydrophobicContact CG2-CB 4.42Å; V13-A352 HydrophobicContact CG2-CB 4.41Å
14I98.4Very high89.8Confident0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-116.5101180-52.3172.7000109I12 N16 L21 V23 F94 M107 L108 L109 T110 M127I12-I14 HydrophobicContact CG2-CG1 4.08Å; I14-N16 WeakPolarHBondContact CG2-OD1 3.42Å; I14-N16 PolarHBondContact O-N 3.28Å; I14-L21 HydrophobicContact CG2-CD1 3.96Å; I14-L21 HydrophobicContact CG2-CD2 4.43Å; I14-L21 HydrophobicContact CG2-CG 4.19Å; I14-V23 HydrophobicContact CG1-CG2 3.93Å; I14-F94 HydrophobicContact CD1-CE1 3.84Å; I14-F94 HydrophobicContact CD1-CZ 3.63Å; I14-M107 HydrophobicContact CD1-SD 3.97Å; I14-L108 PolarHBondContact N-O 3.15Å; I14-L109 WeakPolarHBondContact O-CA 3.3Å; I14-T110 PolarHBondContact O-N 2.97Å; I14-T110 VanDerWaalsContact O-N 3.12Å; I14-M127 HydrophobicContact CD1-CE 3.84Å
15D98Very high91.8Very high3 Ų330.1 Ų30.12%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-86.7101.3172.1172.928.4000110.5G17 L21 K22 T110 Q141 V344 W345D15-G17 PolarHBondContact O-N 2.94Å; D15-L21 WeakPolarHBondContact O-CA 3.44Å; D15-K22 HydrophobicContact CB-CB 4.2Å; D15-K22 PolarHBondContact N-O 3.38Å; D15-K22 PolarHBondContact O-N 3.16Å; D15-K22 WeakPolarHBondContact OD2-CD 3.49Å; D15-K22 IonicContact OD2-NZ 3.33Å; D15-K22 PolarHBondContact OD2-NZ 3.33Å; D15-T110 WeakPolarHBondContact CA-OG1 3.46Å; D15-T110 HydrophobicContact CB-CG2 3.97Å; D15-T110 PolarHBondContact OD1-OG1 2.97Å; D15-Q141 PolarHBondContact OD1-NE2 3.11Å; D15-V344 HydrophobicContact CB-CG1 4.21Å; D15-V344 WeakPolarHBondContact OD1-CG1 3.26Å; D15-W345 HydrophobicContact CB-CB 4.06Å
16N95.8Very high93.2Very high8 Ų828.9 Ų28.94%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-81.995.3179.5-65.3-51.7000110.3I14 M75 W90 T110 Q141I14-N16 WeakPolarHBondContact CG2-OD1 3.42Å; I14-N16 PolarHBondContact O-N 3.28Å; N16-M75 HydrophobicContact CB-SD 4.11Å; N16-M75 WeakPolarHBondContact O-CE 3.49Å; N16-W90 PolarHBondContact OD1-NE1 3.48Å; N16-T110 PolarHBondContact N-OG1 3.06Å; N16-Q141 PolarHBondContact O-NE2 3.36Å
17G95.6Very high94.3Very high14 Ų1429.9 Ų29.914%0.14419%0.187CC..  trans-99.7151.317300000112.9D15 G19 L20 M37D15-G17 PolarHBondContact O-N 2.94Å; G17-G19 VanDerWaalsContact C-N 3.27Å; G17-G19 PolarHBondContact O-N 3.33Å; G17-L20 WeakPolarHBondContact CA-O 3.33Å; G17-L20 PolarHBondContact N-O 3.5Å; G17-L20 VanDerWaalsContact N-O 3.14Å; G17-M37 VanDerWaalsContact O-CE 3.3Å; G17-M37 WeakPolarHBondContact O-CE 3.32Å
18T95.9Very high95.3Very high12 Ų1226.1 Ų26.17%0.07416%0.159CC..SBendtrans-60.7-33.3177.4-59.10000113.8M37 G78T18-M37 WeakPolarHBondContact O-CB 3.44Å; T18-G78 PolarHBondContact OG1-N 3Å
19G94.2Very high95.8Very high21 Ų2127.1 Ų27.122%0.21616%0.161CC..SBendtrans-97.6-38178.200000113.3G17 P36 M37G17-G19 VanDerWaalsContact C-N 3.27Å; G17-G19 PolarHBondContact O-N 3.33Å; G19-P36 WeakPolarHBondContact O-CA 3.35Å; G19-M37 PolarHBondContact O-N 3.36Å
20L96Very high96Very high73 Ų7330.7 Ų30.738%0.38218%0.175SC..EExtended strand (participates in β ladder)trans-140.2132.2-171.8-59.7172.9000109.8G17 V34 V35 P36G17-L20 WeakPolarHBondContact CA-O 3.33Å; G17-L20 PolarHBondContact N-O 3.5Å; G17-L20 VanDerWaalsContact N-O 3.14Å; L20-V34 HydrophobicContact CB-CG1 4.12Å; L20-V34 HydrophobicContact CD1-CG1 4.01Å; L20-V34 HydrophobicContact CD2-CG1 4.24Å; L20-V34 HydrophobicContact CG-CG1 4.36Å; L20-V35 CarbonylContact C-O 3.27Å; L20-V35 WeakPolarHBondContact CA-O 3.32Å; L20-P36 HydrophobicContact CD2-CB 4.42Å; L20-P36 HydrophobicContact CD2-CG 4.32Å
21L97.6Very high96.2Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-87.3136.9161.6-176.9149.3000108.9I14 D15 V23 V34 V35 M37 I89 V93I14-L21 HydrophobicContact CG2-CD1 3.96Å; I14-L21 HydrophobicContact CG2-CD2 4.43Å; I14-L21 HydrophobicContact CG2-CG 4.19Å; D15-L21 WeakPolarHBondContact O-CA 3.44Å; L21-V23 HydrophobicContact CD2-CB 3.87Å; L21-V23 HydrophobicContact CD2-CG1 4.04Å; L21-V34 CarbonylContact O-C 3.57Å; L21-V34 WeakPolarHBondContact O-CA 3.32Å; L21-V35 PolarHBondContact N-O 3.37Å; L21-V35 PolarHBondContact O-N 3.45Å; L21-M37 HydrophobicContact CB-CE 3.75Å; L21-M37 HydrophobicContact CD1-CE 4.17Å; L21-M37 HydrophobicContact CG-CE 4.48Å; L21-I89 HydrophobicContact CD1-CG2 4.2Å; L21-V93 HydrophobicContact CD1-CG2 4.3Å; L21-V93 HydrophobicContact CD2-CG1 4.27Å; L21-V93 HydrophobicContact CD2-CG2 3.69Å
22K98.3Very high96.2Very high22 Ų2237.3 Ų37.310%0.09620%0.198CC..EExtended strand (participates in β ladder)trans-122.4134.9173.4-48.5168-162.871.70109D15 P31 A33 V34 K341 Y342 W345D15-K22 HydrophobicContact CB-CB 4.2Å; D15-K22 PolarHBondContact N-O 3.38Å; D15-K22 PolarHBondContact O-N 3.16Å; D15-K22 WeakPolarHBondContact OD2-CD 3.49Å; D15-K22 IonicContact OD2-NZ 3.33Å; D15-K22 PolarHBondContact OD2-NZ 3.33Å; K22-P31 HydrophobicContact CB-CB 4.08Å; K22-P31 HydrophobicContact CB-CG 4.36Å; K22-A33 WeakPolarHBondContact CA-O 3.38Å; K22-V34 HydrophobicContact CG-CG1 4.28Å; K22-V34 HydrophobicContact CG-CG2 4.26Å; K22-K341 VanDerWaalsContact CE-O 3.22Å; K22-K341 WeakPolarHBondContact CE-O 3.21Å; K22-Y342 HydrophobicContact CD-CD1 3.61Å; K22-Y342 HydrophobicContact CD-CE1 4.19Å; K22-W345 HydrophobicContact CB-CB 4.25Å; K22-W345 HydrophobicContact CB-CG 4.22Å; K22-W345 HydrophobicContact CD-CB 4.32Å
23V98.4Very high96.2Very high0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-143.1147.5-175.468.50000112.3I12 V13 I14 L21 P31 R32 A33 V93 L98I12-V23 HydrophobicContact CG2-CG2 3.6Å; V13-V23 VanDerWaalsContact O-CA 3.28Å; V13-V23 WeakPolarHBondContact O-CA 3.07Å; I14-V23 HydrophobicContact CG1-CG2 3.93Å; L21-V23 HydrophobicContact CD2-CB 3.87Å; L21-V23 HydrophobicContact CD2-CG1 4.04Å; V23-P31 CarbonylContact O-C 3.56Å; V23-P31 WeakPolarHBondContact O-CB 3.38Å; V23-R32 PolarHBondContact O-N 3.27Å; V23-A33 HydrophobicContact CG1-CB 3.9Å; V23-A33 PolarHBondContact N-O 2.96Å; V23-A33 PolarHBondContact O-N 3.42Å; V23-V93 HydrophobicContact CB-CG1 3.87Å; V23-V93 HydrophobicContact CG1-CG1 3.34Å; V23-V93 HydrophobicContact CG2-CG1 3.83Å; V23-L98 HydrophobicContact CG1-CD2 4.14Å; V23-L98 HydrophobicContact CG1-CG 4.3Å; V23-L98 HydrophobicContact CG2-CD1 3.76Å; V23-L98 HydrophobicContact CG2-CG 4.38Å
24G98.1Very high96.2Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans173.7-171.3175.400000110.9I12 V13I12-G24 WeakPolarHBondContact CA-O 3.34Å; V13-G24 PolarHBondContact N-O 3.24Å; V13-G24 PolarHBondContact O-N 2.67Å
25Y96.9Very high96.1Very high37 Ų3740.3 Ų40.315%0.14522%0.217CC..EExtended strand (participates in β ladder)trans-91154.7-175.2-57.3-70.5000112.6P10 P11 I12 E28 R32 V100P10-Y25 HydrophobicContact CB-CD1 4.4Å; P10-Y25 HydrophobicContact CG-CD1 3.6Å; P10-Y25 HydrophobicContact CG-CE1 4.19Å; P10-Y25 HydrophobicContact CG-CG 4.02Å; P11-Y25 WeakPolarHBondContact O-CA 3.37Å; I12-Y25 HydrophobicContact CD1-CE1 4.04Å; I12-Y25 HydrophobicContact CG1-CD1 3.85Å; I12-Y25 HydrophobicContact CG1-CE1 3.89Å; Y25-E28 PolarHBondContact N-OE2 2.92Å; Y25-E28 VanDerWaalsContact N-OE2 3.13Å; Y25-E28 PolarHBondContact O-N 2.74Å; Y25-R32 HydrophobicContact CD2-CG 4.17Å; Y25-R32 HydrophobicContact CE2-CG 4.32Å; Y25-V100 WeakPolarHBondContact OH-CG1 3.23Å
26S95.3Very high96Very high20 Ų2040.9 Ų40.914%0.1422%0.221CC..THydrogen-bonded Turntrans-58.4144.2168.965.10000111.8P11 E28P11-S26 WeakPolarHBondContact CD-OG 3.38Å; P11-S26 PolarHBondContact O-N 3.03Å; S26-E28 PolarHBondContact O-N 3.5Å
27G91.2Very high95.9Very high51 Ų5140.6 Ų40.653%0.52622%0.219SC..THydrogen-bonded Turntrans80.5-6.1179.400000115.2A349G27-A349 PolarHBondContact N-O 2.58Å
28E94.3Very high95.8Very high47 Ų4740.5 Ų40.522%0.2222%0.215CC..  trans-82.1154.4173.1-67.6-176.3151.700111.9Y25 S26 R32 W345Y25-E28 PolarHBondContact N-OE2 2.92Å; Y25-E28 VanDerWaalsContact N-OE2 3.13Å; Y25-E28 PolarHBondContact O-N 2.74Å; S26-E28 PolarHBondContact O-N 3.5Å; E28-R32 IonicContact OE1-CZ 3.74Å; E28-R32 IonicContact OE1-NE 2.8Å; E28-R32 PolarHBondContact OE1-NE 2.88Å; E28-R32 IonicContact OE1-NH2 3.19Å; E28-R32 PolarHBondContact OE1-NH2 3.35Å; E28-R32 VanDerWaalsContact OE2-CG 3.28Å; E28-R32 WeakPolarHBondContact OE2-CG 3.24Å; E28-R32 IonicContact OE2-NE 3.57Å; E28-R32 PolarHBondContact OE2-NE 3.48Å; E28-W345 HydrophobicContact CB-CH2 3.87Å
29M91.6Very high95.8Very high160 Ų16040 Ų4079%0.78821%0.212SC*.SBendtrans-89.7-15.4-176-62.5-59.7-62.500113.6
30E94.8Very high95.8Very high141 Ų14139 Ų3966%0.65920%0.201SC*.SBendtrans-147149.5-179.964-176.3176.100110.9W345E30-W345 WeakPolarHBondContact O-CH2 3.35Å; E30-W345 WeakPolarHBondContact O-CZ3 3.33Å
31P97.5Very high95.6Very high15 Ų1539.9 Ų39.910%0.09720%0.2CC..  trans-63.9138.7177.226.6-33.9000110.7K22 V23 A33 V34 Y342 W345K22-P31 HydrophobicContact CB-CB 4.08Å; K22-P31 HydrophobicContact CB-CG 4.36Å; V23-P31 CarbonylContact O-C 3.56Å; V23-P31 WeakPolarHBondContact O-CB 3.38Å; P31-A33 VanDerWaalsContact C-N 3.27Å; P31-A33 PolarHBondContact O-N 3.05Å; P31-V34 HydrophobicContact CB-CG2 4.33Å; P31-V34 HydrophobicContact CG-CG2 3.75Å; P31-Y342 HydrophobicContact CG-CD1 4.33Å; P31-Y342 HydrophobicContact CG-CD2 4.37Å; P31-Y342 HydrophobicContact CG-CE1 4.46Å; P31-Y342 HydrophobicContact CG-CG 4.27Å; P31-W345 HydrophobicContact CB-CD2 3.81Å; P31-W345 HydrophobicContact CB-CE3 4.16Å; P31-W345 HydrophobicContact CB-CG 4.19Å; P31-W345 HydrophobicContact CB-CZ2 4.32Å; P31-W345 HydrophobicContact CG-CD2 4.43Å; P31-W345 HydrophobicContact CG-CE3 4.42Å; P31-W345 VanDerWaalsContact N-CZ3 3.33Å
32R97.1Very high95.2Very high160 Ų16041.4 Ų41.460%0.60421%0.21SC*.SBendtrans-62.7-34.5173.7-71.4-78.1-176.2157-0.4112.3V23 Y25 E28 L98V23-R32 PolarHBondContact O-N 3.27Å; Y25-R32 HydrophobicContact CD2-CG 4.17Å; Y25-R32 HydrophobicContact CE2-CG 4.32Å; E28-R32 IonicContact OE1-CZ 3.74Å; E28-R32 IonicContact OE1-NE 2.8Å; E28-R32 PolarHBondContact OE1-NE 2.88Å; E28-R32 IonicContact OE1-NH2 3.19Å; E28-R32 PolarHBondContact OE1-NH2 3.35Å; E28-R32 VanDerWaalsContact OE2-CG 3.28Å; E28-R32 WeakPolarHBondContact OE2-CG 3.24Å; E28-R32 IonicContact OE2-NE 3.57Å; E28-R32 PolarHBondContact OE2-NE 3.48Å; R32-L98 HydrophobicContact CB-CD2 3.71Å; R32-L98 HydrophobicContact CG-CD2 4.3Å
33A97.6Very high94.5Very high9 Ų945.2 Ų45.27%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-143.8147.6176.100000112K22 V23 P31 V35 E97K22-A33 WeakPolarHBondContact CA-O 3.38Å; V23-A33 HydrophobicContact CG1-CB 3.9Å; V23-A33 PolarHBondContact N-O 2.96Å; V23-A33 PolarHBondContact O-N 3.42Å; P31-A33 VanDerWaalsContact C-N 3.27Å; P31-A33 PolarHBondContact O-N 3.05Å; A33-V35 HydrophobicContact CB-CG2 4.35Å; A33-E97 HydrophobicContact CB-CB 3.75Å; A33-E97 HydrophobicContact CB-CG 4.15Å
34V97.1Very high93.6Very high48 Ų4851.5 Ų51.529%0.29126%0.255SS..EExtended strand (participates in β ladder)trans-127.9111.9172.5-178.40000107.1L20 L21 K22 P31 Y342L20-V34 HydrophobicContact CB-CG1 4.12Å; L20-V34 HydrophobicContact CD1-CG1 4.01Å; L20-V34 HydrophobicContact CD2-CG1 4.24Å; L20-V34 HydrophobicContact CG-CG1 4.36Å; L21-V34 CarbonylContact O-C 3.57Å; L21-V34 WeakPolarHBondContact O-CA 3.32Å; K22-V34 HydrophobicContact CG-CG1 4.28Å; K22-V34 HydrophobicContact CG-CG2 4.26Å; P31-V34 HydrophobicContact CB-CG2 4.33Å; P31-V34 HydrophobicContact CG-CG2 3.75Å; V34-Y342 HydrophobicContact CG2-CE1 4.05Å
35V96.6Very high92Very high6 Ų657.5 Ų57.54%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-116.7126.4-169.6-176.10000109.3L20 L21 A33 M37 V58 V93 E97L20-V35 CarbonylContact C-O 3.27Å; L20-V35 WeakPolarHBondContact CA-O 3.32Å; L21-V35 PolarHBondContact N-O 3.37Å; L21-V35 PolarHBondContact O-N 3.45Å; A33-V35 HydrophobicContact CB-CG2 4.35Å; V35-M37 PolarHBondContact O-N 3.08Å; V35-V58 HydrophobicContact CG1-CG1 3.71Å; V35-V93 HydrophobicContact CG2-CG2 4.24Å; V35-E97 HydrophobicContact CG2-CG 3.87Å
36P95.4Very high90.3Very high15 Ų1565.4 Ų65.410%0.09732%0.32CS..EExtended strand (participates in β ladder)trans-56.8136.4171.2-2331.1000112.2G19 L20 I38 G59 D60G19-P36 WeakPolarHBondContact O-CA 3.35Å; L20-P36 HydrophobicContact CD2-CB 4.42Å; L20-P36 HydrophobicContact CD2-CG 4.32Å; P36-I38 HydrophobicContact CB-CD1 4.06Å; P36-I38 HydrophobicContact CB-CG1 4.06Å; P36-I38 PolarHBondContact O-N 3.04Å; P36-G59 WeakPolarHBondContact O-CA 3.46Å; P36-D60 WeakPolarHBondContact CG-OD1 3.45Å
37M95.3Very high88.4Confident2 Ų269.5 Ų69.51%0.0134%0.344CS..SBendtrans-7763.3-179.2-167.562.872.900111.1G17 T18 G19 L21 V35 P74 M75 L86 I89G17-M37 VanDerWaalsContact O-CE 3.3Å; G17-M37 WeakPolarHBondContact O-CE 3.32Å; T18-M37 WeakPolarHBondContact O-CB 3.44Å; G19-M37 PolarHBondContact O-N 3.36Å; L21-M37 HydrophobicContact CB-CE 3.75Å; L21-M37 HydrophobicContact CD1-CE 4.17Å; L21-M37 HydrophobicContact CG-CE 4.48Å; V35-M37 PolarHBondContact O-N 3.08Å; M37-P74 HydrophobicContact CG-CG 3.98Å; M37-P74 HydrophobicContact SD-CG 3.82Å; M37-M75 HydrophobicContact CE-SD 3.68Å; M37-M75 HydrophobicContact CG-CB 4.2Å; M37-M75 HydrophobicContact CG-CG 4.37Å; M37-M75 HydrophobicContact CG-SD 4.42Å; M37-M75 HydrophobicContact SD-SD 4.31Å; M37-L86 HydrophobicContact CE-CD1 4.24Å; M37-L86 HydrophobicContact SD-CD1 3.93Å; M37-I89 HydrophobicContact SD-CD1 3.77Å; M37-I89 HydrophobicContact SD-CG2 4.47Å
38I93.9Very high86.6Confident12 Ų1269.8 Ų69.86%0.06233%0.333CS..  trans-138.1130.9-172.7-49-178.6000108.6P36 V58 G59 A62 L71 Y73P36-I38 HydrophobicContact CB-CD1 4.06Å; P36-I38 HydrophobicContact CB-CG1 4.06Å; P36-I38 PolarHBondContact O-N 3.04Å; I38-V58 WeakPolarHBondContact O-CA 3.44Å; I38-G59 PolarHBondContact O-N 2.75Å; I38-A62 HydrophobicContact CG2-CB 4.05Å; I38-L71 HydrophobicContact CG2-CB 4.41Å; I38-L71 HydrophobicContact CG2-CD2 4.3Å; I38-Y73 HydrophobicContact CB-CE1 4.49Å; I38-Y73 HydrophobicContact CD1-CE1 3.89Å; I38-Y73 HydrophobicContact CG1-CD1 3.97Å; I38-Y73 HydrophobicContact CG1-CE1 3.72Å; I38-Y73 HydrophobicContact CG2-CE1 4.22Å
39L94.9Very high84.6Confident0 Ų074.1 Ų74.10%036%0.362CS..EExtended strand (participates in β ladder)trans-117.1143.2170.8-173.974.4000108.9C56 F57 V58 L71 S72 D85 T88 I89L39-C56 HydrophobicContact CD1-CB 3.67Å; L39-C56 HydrophobicContact CG-CB 4.28Å; L39-F57 CarbonylContact C-O 3.56Å; L39-F57 WeakPolarHBondContact CA-O 3.46Å; L39-V58 HydrophobicContact CD1-CG2 3.58Å; L39-L71 CarbonylContact O-C 3.56Å; L39-L71 VanDerWaalsContact O-CA 3.26Å; L39-L71 WeakPolarHBondContact O-CA 3.44Å; L39-S72 PolarHBondContact N-O 2.86Å; L39-S72 PolarHBondContact O-N 3.16Å; L39-D85 HydrophobicContact CD2-CB 3.85Å; L39-D85 WeakPolarHBondContact CD2-OD1 3.38Å; L39-T88 HydrophobicContact CD1-CG2 3.75Å; L39-T88 HydrophobicContact CD2-CG2 4.37Å; L39-I89 HydrophobicContact CB-CD1 4.45Å; L39-I89 HydrophobicContact CD1-CG1 4.41Å
40G93.2Very high82.8Confident0 Ų072.8 Ų72.80%036%0.358CS..EExtended strand (participates in β ladder)trans-132.2125.9-179.400000111.9C56 F57 T70G40-C56 WeakPolarHBondContact O-CA 3.44Å; G40-F57 PolarHBondContact N-O 2.8Å; G40-F57 PolarHBondContact O-N 3.27Å; G40-T70 WeakPolarHBondContact CA-O 3.25Å
41R92.4Very high80.5Confident93 Ų9377.8 Ų77.835%0.35137%0.372SS..EExtended strand (participates in β ladder)trans-108.7138.3176-66.6-176.4175.792.3-2.7110.8K43 L69 T70 D85R41-K43 PolarHBondContact O-N 2.93Å; R41-L69 CarbonylContact O-C 3.4Å; R41-L69 VanDerWaalsContact O-CA 3.27Å; R41-L69 WeakPolarHBondContact O-CA 3.1Å; R41-T70 PolarHBondContact N-O 3.14Å; R41-T70 PolarHBondContact O-N 3.03Å; R41-D85 IonicContact CZ-OD1 2.97Å; R41-D85 IonicContact NH1-OD1 2.8Å; R41-D85 PolarHBondContact NH1-OD1 3.14Å; R41-D85 IonicContact NH1-OD2 3.52Å; R41-D85 IonicContact NH2-OD1 3.81Å; R41-D85 PolarHBondContact NH2-OD1 2.88Å
42P89.3Confident78.3Confident32 Ų3281.9 Ų81.921%0.20839%0.392CS..EExtended strand (participates in β ladder)trans-55.4129.3178.4-25.233.9000112.7H44 I48 F57 L69P42-H44 VanDerWaalsContact C-N 3.27Å; P42-H44 PolarHBondContact O-N 2.83Å; P42-I48 HydrophobicContact CB-CD1 4.15Å; P42-I48 HydrophobicContact CG-CD1 3.8Å; P42-F57 HydrophobicContact CG-CE2 4.23Å; P42-L69 HydrophobicContact CB-CD2 4.42Å; P42-L69 HydrophobicContact CG-CD2 4.26Å
43K84.8Confident76Confident102 Ų10277.3 Ų77.344%0.44339%0.385SS..SBendtrans-66.4-32.3174.2-73.3175.4-176.4160.30112.4R41 R66 G67 A68 L69 T70R41-K43 PolarHBondContact O-N 2.93Å; K43-R66 PolarHBondContact NZ-O 3.42Å; K43-G67 PolarHBondContact NZ-O 3.4Å; K43-A68 WeakPolarHBondContact CB-O 3.44Å; K43-A68 PolarHBondContact N-O 3.26Å; K43-L69 WeakPolarHBondContact CE-O 3.09Å; K43-T70 WeakPolarHBondContact CG-OG1 3.33Å
44H78.7Confident74Confident132 Ų13283 Ų8361%0.61141%0.414SS*.  trans-135.2107.8-178.5-58.9-58.4000109.1P42 K46 V47P42-H44 VanDerWaalsContact C-N 3.27Å; P42-H44 PolarHBondContact O-N 2.83Å; H44-K46 PolarHBondContact O-N 2.73Å; H44-V47 HydrophobicContact CB-CG2 3.97Å; H44-V47 PolarHBondContact O-N 3.14Å
45M65.5Low73Confident125 Ų12585.4 Ų85.462%0.61642%0.422SS*.G310 helixtrans-53.9-28.8179.1-92.6171.9174.100113.5V47M45-V47 VanDerWaalsContact C-N 3.31Å; M45-V47 PolarHBondContact O-N 3.24Å
46K60.5Low72.6Confident203 Ų20387.1 Ų87.188%0.88343%0.434SS*.G310 helixtrans-73.6-12.5-175.5-67.5-172.3177.5-177.80115.2H44H44-K46 PolarHBondContact O-N 2.73Å
47V54.4Low72.5Confident106 Ų10687.5 Ų87.564%0.64243%0.434SS*.G310 helixtrans-90.9-19-170.4-179.40000113H44 M45 T49H44-V47 HydrophobicContact CB-CG2 3.97Å; H44-V47 PolarHBondContact O-N 3.14Å; M45-V47 VanDerWaalsContact C-N 3.31Å; M45-V47 PolarHBondContact O-N 3.24Å; V47-T49 PolarHBondContact O-N 3.13Å
48I53.8Low72.4Confident58 Ų5887.7 Ų87.730%0.29744%0.435SS..  trans-9998.6178.7-55.2-179.4000107.3P42 D50 F57P42-I48 HydrophobicContact CB-CD1 4.15Å; P42-I48 HydrophobicContact CG-CD1 3.8Å; I48-D50 HydrophobicContact CG2-CB 4.15Å; I48-D50 PolarHBondContact O-N 3.06Å; I48-F57 HydrophobicContact CD1-CE2 3.86Å; I48-F57 HydrophobicContact CD1-CZ 3.91Å
49T53.1Low72.3Confident137 Ų13787.1 Ų87.184%0.8443%0.433SS*.  trans-77.5-0.2177.533.40000113.1V47V47-T49 PolarHBondContact O-N 3.13Å
50D52.4Low72Confident132 Ų13292.8 Ų92.871%0.70646%0.463SS*.SBendtrans-78.8132.8168.5-85.7-33.4000110.3I48 N52I48-D50 HydrophobicContact CG2-CB 4.15Å; I48-D50 PolarHBondContact O-N 3.06Å; D50-N52 PolarHBondContact O-N 2.92Å
51R48.1Very low71.7Confident247 Ų24797.2 Ų97.293%0.93249%0.486SS*.SBendtrans-63.513.7-158.7-77.8178.8166.7178.1-4117.8
52N49.9Very low71.4Confident100 Ų10092.8 Ų92.854%0.53547%0.469SS..  trans-125.180.4174.1-70.3-13.4000110.1D50 D54 E55D50-N52 PolarHBondContact O-N 2.92Å; N52-D54 PolarHBondContact O-N 3.13Å; N52-D54 VanDerWaalsContact O-N 3.09Å; N52-E55 HydrophobicContact CB-CG 3.83Å; N52-E55 WeakPolarHBondContact CB-OE1 3.34Å; N52-E55 PolarHBondContact ND2-OE1 3.45Å; N52-E55 PolarHBondContact O-N 3.15Å
53S49.5Very low71Confident64 Ų6492.3 Ų92.345%0.44847%0.47SS..THydrogen-bonded Turntrans-64.1-11.3-177.249.60000115.2
54D55.7Low70.9Confident128 Ų12890.8 Ų90.868%0.68448%0.483SS*.THydrogen-bonded Turntrans-101.25.4179.6-69.6-23.6000113.6N52 C56N52-D54 PolarHBondContact O-N 3.13Å; N52-D54 VanDerWaalsContact O-N 3.09Å; D54-C56 PolarHBondContact O-N 2.86Å
55E75.2Confident71Confident100 Ų10089 Ų8947%0.46747%0.473SS..  trans-68.1108.5179.6-89.4176.5-165.600111.4N52 F57N52-E55 HydrophobicContact CB-CG 3.83Å; N52-E55 WeakPolarHBondContact CB-OE1 3.34Å; N52-E55 PolarHBondContact ND2-OE1 3.45Å; N52-E55 PolarHBondContact O-N 3.15Å; E55-F57 WeakPolarHBondContact O-CE2 3.4Å
56C89.1Confident71.6Confident42 Ų4284 Ų8428%0.28445%0.448SS..  trans-68.1141.7159.8-61.90000108.8L39 G40 D54 T88L39-C56 HydrophobicContact CD1-CB 3.67Å; L39-C56 HydrophobicContact CG-CB 4.28Å; G40-C56 WeakPolarHBondContact O-CA 3.44Å; D54-C56 PolarHBondContact O-N 2.86Å; C56-T88 HydrophobicContact CB-CG2 4.2Å
57F92.1Very high72.5Confident22 Ų2277.6 Ų77.610%0.09644%0.439CS..EExtended strand (participates in β ladder)trans-98.1139.3173.8-60.1-83.9000109.2L39 G40 P42 I48 E55 I61 A62 K65 L69L39-F57 CarbonylContact C-O 3.56Å; L39-F57 WeakPolarHBondContact CA-O 3.46Å; G40-F57 PolarHBondContact N-O 2.8Å; G40-F57 PolarHBondContact O-N 3.27Å; P42-F57 HydrophobicContact CG-CE2 4.23Å; I48-F57 HydrophobicContact CD1-CE2 3.86Å; I48-F57 HydrophobicContact CD1-CZ 3.91Å; E55-F57 WeakPolarHBondContact O-CE2 3.4Å; F57-I61 HydrophobicContact CB-CG2 4.23Å; F57-I61 HydrophobicContact CD1-CG2 3.5Å; F57-I61 VanDerWaalsContact CD1-CG2 3.5Å; F57-I61 HydrophobicContact CE1-CG2 4.3Å; F57-I61 HydrophobicContact CG-CG2 4.21Å; F57-A62 HydrophobicContact CB-CB 4.05Å; F57-A62 WeakPolarHBondContact O-CB 3.42Å; F57-K65 HydrophobicContact CD1-CD 4.4Å; F57-K65 HydrophobicContact CE1-CD 4.34Å; F57-K65 VanDerWaalsContact CE1-NZ 3.27Å; F57-L69 HydrophobicContact CB-CD1 3.78Å; F57-L69 HydrophobicContact CD2-CD1 3.45Å; F57-L69 VanDerWaalsContact CD2-CD1 3.45Å; F57-L69 HydrophobicContact CD2-CD2 3.53Å; F57-L69 HydrophobicContact CD2-CG 4.14Å; F57-L69 HydrophobicContact CE2-CD1 4.33Å; F57-L69 HydrophobicContact CE2-CD2 3.71Å; F57-L69 HydrophobicContact CG-CD1 3.8Å
58V94Very high73.9Confident6 Ų675.3 Ų75.34%0.03643%0.431CS..EExtended strand (participates in β ladder)trans-116148.9179.1175.90000110.3V35 I38 L39 I61 I89 H92V35-V58 HydrophobicContact CG1-CG1 3.71Å; I38-V58 WeakPolarHBondContact O-CA 3.44Å; L39-V58 HydrophobicContact CD1-CG2 3.58Å; V58-I61 PolarHBondContact O-N 2.82Å; V58-I89 HydrophobicContact CG1-CB 4.41Å; V58-I89 HydrophobicContact CG1-CG1 4.01Å; V58-I89 HydrophobicContact CG1-CG2 4.1Å; V58-I89 HydrophobicContact CG2-CG1 4.19Å; V58-H92 HydrophobicContact CB-CB 4.07Å; V58-H92 HydrophobicContact CG1-CB 4.24Å; V58-H92 HydrophobicContact CG2-CB 3.71Å
59G92.7Very high75.6Confident1 Ų172.7 Ų72.71%0.0142%0.418CS..Hα-helixtrans66.9-136.5167.600000114.1P36 I38 I61 A62 G63P36-G59 WeakPolarHBondContact O-CA 3.46Å; I38-G59 PolarHBondContact O-N 2.75Å; G59-I61 PolarHBondContact O-N 2.81Å; G59-A62 WeakPolarHBondContact O-CB 3.27Å; G59-A62 PolarHBondContact O-N 2.8Å; G59-A62 VanDerWaalsContact O-N 3.13Å; G59-G63 PolarHBondContact O-N 3.43Å
60D88.3Confident77.3Confident119 Ų11970.2 Ų70.264%0.63640%0.403SS*.Hα-helixtrans-61.3-31.2-177.5-68.1-51000112.7P36 G63 G64P36-D60 WeakPolarHBondContact CG-OD1 3.45Å; D60-G63 CarbonylContact O-C 3.5Å; D60-G63 PolarHBondContact O-N 3.21Å; D60-G64 PolarHBondContact O-N 2.91Å
61I87.4Confident79.1Confident92 Ų9265.6 Ų65.647%0.47238%0.378SS..Hα-helixtrans-66.2-42.4177.3-55.3176.5000110.2F57 V58 G59 G63 G64 K65F57-I61 HydrophobicContact CB-CG2 4.23Å; F57-I61 HydrophobicContact CD1-CG2 3.5Å; F57-I61 VanDerWaalsContact CD1-CG2 3.5Å; F57-I61 HydrophobicContact CE1-CG2 4.3Å; F57-I61 HydrophobicContact CG-CG2 4.21Å; V58-I61 PolarHBondContact O-N 2.82Å; G59-I61 PolarHBondContact O-N 2.81Å; I61-G63 VanDerWaalsContact C-N 3.34Å; I61-G64 PolarHBondContact O-N 3.46Å; I61-K65 HydrophobicContact CG2-CD 4.29Å; I61-K65 WeakPolarHBondContact O-CG 3.37Å; I61-K65 PolarHBondContact O-N 3.33Å
62A85.6Confident81.3Confident0 Ų055.1 Ų55.10%034%0.342CS..Hα-helixtrans-63.3-44.3172.600000110.8I38 F57 G59 G64 K65 L71I38-A62 HydrophobicContact CG2-CB 4.05Å; F57-A62 HydrophobicContact CB-CB 4.05Å; F57-A62 WeakPolarHBondContact O-CB 3.42Å; G59-A62 WeakPolarHBondContact O-CB 3.27Å; G59-A62 PolarHBondContact O-N 2.8Å; G59-A62 VanDerWaalsContact O-N 3.13Å; A62-G64 VanDerWaalsContact C-N 3.31Å; A62-G64 PolarHBondContact O-N 2.87Å; A62-K65 PolarHBondContact O-N 3.2Å; A62-L71 HydrophobicContact CB-CD2 4.32Å
63G80.4Confident83.4Confident23 Ų2354.1 Ų54.124%0.23733%0.332CS..Hα-helixtrans-61.5-31.8177.800000114.4G59 D60 I61 R66G59-G63 PolarHBondContact O-N 3.43Å; D60-G63 CarbonylContact O-C 3.5Å; D60-G63 PolarHBondContact O-N 3.21Å; I61-G63 VanDerWaalsContact C-N 3.34Å; G63-R66 WeakPolarHBondContact O-CD 3.5Å; G63-R66 WeakPolarHBondContact O-CG 3.46Å; G63-R66 PolarHBondContact O-NE 2.93Å; G63-R66 VanDerWaalsContact O-NE 3.15Å
64G82Confident85.6Confident69 Ų6951.1 Ų51.171%0.71131%0.31SS*.Hα-helixtrans-83-20.8177.600000114D60 I61 A62D60-G64 PolarHBondContact O-N 2.91Å; I61-G64 PolarHBondContact O-N 3.46Å; A62-G64 VanDerWaalsContact C-N 3.31Å; A62-G64 PolarHBondContact O-N 2.87Å
65K81.4Confident87.5Confident94 Ų9445.3 Ų45.341%0.40928%0.28SS..  trans-107.420.7-175.8-65.4-177.8-176.3179.90114.2F57 I61 A62 G67 A68 L69F57-K65 HydrophobicContact CD1-CD 4.4Å; F57-K65 HydrophobicContact CE1-CD 4.34Å; F57-K65 VanDerWaalsContact CE1-NZ 3.27Å; I61-K65 HydrophobicContact CG2-CD 4.29Å; I61-K65 WeakPolarHBondContact O-CG 3.37Å; I61-K65 PolarHBondContact O-N 3.33Å; A62-K65 PolarHBondContact O-N 3.2Å; K65-G67 PolarHBondContact O-N 3.23Å; K65-A68 PolarHBondContact O-N 3.05Å; K65-L69 HydrophobicContact CB-CD1 3.58Å; K65-L69 HydrophobicContact CB-CG 3.81Å; K65-L69 WeakPolarHBondContact O-CG 3.24Å; K65-L69 PolarHBondContact O-N 3.46Å
66R78.4Confident88.4Confident22 Ų2245 Ų458%0.08328%0.279CS..THydrogen-bonded Turntrans-53.8-28.5-174.6-46.3-167.6167.3-133.12.4115.5K43 G63 L71 Y73 E211K43-R66 PolarHBondContact NZ-O 3.42Å; G63-R66 WeakPolarHBondContact O-CD 3.5Å; G63-R66 WeakPolarHBondContact O-CG 3.46Å; G63-R66 PolarHBondContact O-NE 2.93Å; G63-R66 VanDerWaalsContact O-NE 3.15Å; R66-L71 HydrophobicContact CB-CD1 3.9Å; R66-L71 HydrophobicContact CG-CD1 3.54Å; R66-L71 HydrophobicContact CG-CD2 4.5Å; R66-L71 HydrophobicContact CG-CG 4.47Å; R66-Y73 PolarHBondContact NH1-OH 2.86Å; R66-E211 IonicContact CZ-OE1 3.79Å; R66-E211 IonicContact NH1-OE1 3.79Å; R66-E211 IonicContact NH2-OE1 3.15Å; R66-E211 PolarHBondContact NH2-OE1 2.95Å
67G79.1Confident88.6Confident68 Ų6844.4 Ų44.470%0.70127%0.273SS*.THydrogen-bonded Turntrans-62.8-42.8174.800000112.1K43 K65K43-G67 PolarHBondContact NZ-O 3.4Å; K65-G67 PolarHBondContact O-N 3.23Å
68A84.7Confident88.6Confident57 Ų5743.9 Ų43.947%0.47127%0.274SS..THydrogen-bonded Turntrans-90-18.2-177.300000113.9K43 K65K43-A68 WeakPolarHBondContact CB-O 3.44Å; K43-A68 PolarHBondContact N-O 3.26Å; K65-A68 PolarHBondContact O-N 3.05Å
69L87.6Confident88.6Confident3 Ų345 Ų452%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-112.5143.5-173.4-54-178.3000113R41 P42 K43 F57 K65 L71R41-L69 CarbonylContact O-C 3.4Å; R41-L69 VanDerWaalsContact O-CA 3.27Å; R41-L69 WeakPolarHBondContact O-CA 3.1Å; P42-L69 HydrophobicContact CB-CD2 4.42Å; P42-L69 HydrophobicContact CG-CD2 4.26Å; K43-L69 WeakPolarHBondContact CE-O 3.09Å; F57-L69 HydrophobicContact CB-CD1 3.78Å; F57-L69 HydrophobicContact CD2-CD1 3.45Å; F57-L69 VanDerWaalsContact CD2-CD1 3.45Å; F57-L69 HydrophobicContact CD2-CD2 3.53Å; F57-L69 HydrophobicContact CD2-CG 4.14Å; F57-L69 HydrophobicContact CE2-CD1 4.33Å; F57-L69 HydrophobicContact CE2-CD2 3.71Å; F57-L69 HydrophobicContact CG-CD1 3.8Å; K65-L69 HydrophobicContact CB-CD1 3.58Å; K65-L69 HydrophobicContact CB-CG 3.81Å; K65-L69 WeakPolarHBondContact O-CG 3.24Å; K65-L69 PolarHBondContact O-N 3.46Å; L69-L71 HydrophobicContact CB-CD2 4.02Å
70T89.8Confident88.8Confident85 Ų8545.8 Ų45.852%0.52128%0.284SS..EExtended strand (participates in β ladder)trans-82.4117.7160.3-60.90000107.6G40 R41 K43G40-T70 WeakPolarHBondContact CA-O 3.25Å; R41-T70 PolarHBondContact N-O 3.14Å; R41-T70 PolarHBondContact O-N 3.03Å; K43-T70 WeakPolarHBondContact CG-OG1 3.33Å
71L91.1Very high89.1Confident36 Ų3645.2 Ų45.219%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-92.9142-177.1-52.4177000111.1I38 L39 A62 R66 L69 Y73I38-L71 HydrophobicContact CG2-CB 4.41Å; I38-L71 HydrophobicContact CG2-CD2 4.3Å; L39-L71 CarbonylContact O-C 3.56Å; L39-L71 VanDerWaalsContact O-CA 3.26Å; L39-L71 WeakPolarHBondContact O-CA 3.44Å; A62-L71 HydrophobicContact CB-CD2 4.32Å; R66-L71 HydrophobicContact CB-CD1 3.9Å; R66-L71 HydrophobicContact CG-CD1 3.54Å; R66-L71 HydrophobicContact CG-CD2 4.5Å; R66-L71 HydrophobicContact CG-CG 4.47Å; L69-L71 HydrophobicContact CB-CD2 4.02Å; L71-Y73 HydrophobicContact CB-CE2 4.35Å
72S92.9Very high89.6Confident26 Ų2643.6 Ų43.618%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-123.8152.816764.40000110.9L39 D85L39-S72 PolarHBondContact N-O 2.86Å; L39-S72 PolarHBondContact O-N 3.16Å; S72-D85 WeakPolarHBondContact CB-OD2 3.38Å; S72-D85 PolarHBondContact OG-OD2 3.43Å
73Y94.1Very high90.1Very high80 Ų8045.9 Ų45.931%0.31428%0.278SS..  trans-124.998.3179.2-58.3-93.2000106.6I38 R66 L71 M75I38-Y73 HydrophobicContact CB-CE1 4.49Å; I38-Y73 HydrophobicContact CD1-CE1 3.89Å; I38-Y73 HydrophobicContact CG1-CD1 3.97Å; I38-Y73 HydrophobicContact CG1-CE1 3.72Å; I38-Y73 HydrophobicContact CG2-CE1 4.22Å; R66-Y73 PolarHBondContact NH1-OH 2.86Å; L71-Y73 HydrophobicContact CB-CE2 4.35Å; Y73-M75 PolarHBondContact O-N 3.39Å; Y73-M75 VanDerWaalsContact O-N 3.11Å
74P95.9Very high90.9Very high0 Ų050.2 Ų50.20%030%0.296CS..SBendtrans-67.9-13.6-170.620.6-29000113.7M37 V80 Q81 N82 D85 L86 I89M37-P74 HydrophobicContact CG-CG 3.98Å; M37-P74 HydrophobicContact SD-CG 3.82Å; P74-V80 CarbonylContact O-C 3.49Å; P74-V80 WeakPolarHBondContact O-CA 3.25Å; P74-Q81 PolarHBondContact O-N 3.47Å; P74-N82 WeakPolarHBondContact CB-O 3.33Å; P74-N82 PolarHBondContact O-N 3.28Å; P74-D85 HydrophobicContact CB-CB 3.8Å; P74-D85 HydrophobicContact CG-CB 4.32Å; P74-L86 HydrophobicContact CB-CB 4.12Å; P74-I89 HydrophobicContact CG-CD1 3.58Å
75M95Very high91.6Very high7 Ų747.1 Ų47.13%0.03426%0.263CS..EExtended strand (participates in β ladder)trans-122.6141.8178.4-71.6-178.349.800112N16 M37 Y73 I79 V80N16-M75 HydrophobicContact CB-SD 4.11Å; N16-M75 WeakPolarHBondContact O-CE 3.49Å; M37-M75 HydrophobicContact CE-SD 3.68Å; M37-M75 HydrophobicContact CG-CB 4.2Å; M37-M75 HydrophobicContact CG-CG 4.37Å; M37-M75 HydrophobicContact CG-SD 4.42Å; M37-M75 HydrophobicContact SD-SD 4.31Å; Y73-M75 PolarHBondContact O-N 3.39Å; Y73-M75 VanDerWaalsContact O-N 3.11Å; M75-I79 WeakPolarHBondContact CA-O 3.25Å; M75-V80 HydrophobicContact CG-CG2 4.19Å
76M94Very high92.4Very high93 Ų9342.6 Ų42.646%0.45824%0.244SC..EExtended strand (participates in β ladder)trans-137.9127.4173.4-172.8170.665.500109.7G78 I79 Q81M76-G78 PolarHBondContact O-N 3.15Å; M76-G78 VanDerWaalsContact O-N 3.15Å; M76-I79 PolarHBondContact N-O 3.31Å; M76-I79 PolarHBondContact O-N 3.38Å; M76-Q81 HydrophobicContact CB-CG 3.66Å; M76-Q81 HydrophobicContact CE-CG 4.5Å
77N93.9Very high93.3Very high30 Ų3044.2 Ų44.216%0.1625%0.252CS..THydrogen-bonded Turntrans49.840.2177.1-54.9-7.5000114.1G162 R181N77-G162 WeakPolarHBondContact CA-O 3.16Å; N77-G162 WeakPolarHBondContact CB-O 3.43Å; N77-G162 VanDerWaalsContact CG-O 3.25Å; N77-G162 PolarHBondContact OD1-O 3.37Å; N77-R181 PolarHBondContact O-NH2 3.36Å
78G92.3Very high94.1Very high10 Ų1043.3 Ų43.310%0.10323%0.233CC..THydrogen-bonded Turntrans85.9-5-178.200000115.8T18 M76 T112T18-G78 PolarHBondContact OG1-N 3Å; M76-G78 PolarHBondContact O-N 3.15Å; M76-G78 VanDerWaalsContact O-N 3.15Å; G78-T112 PolarHBondContact O-OG1 2.9Å
79I94.6Very high94.7Very high29 Ų2940.6 Ų40.615%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-113.8131.2-174.2-57.6-63.3000110.4M75 M76 Q81M75-I79 WeakPolarHBondContact CA-O 3.25Å; M76-I79 PolarHBondContact N-O 3.31Å; M76-I79 PolarHBondContact O-N 3.38Å; I79-Q81 PolarHBondContact O-N 2.84Å; I79-Q81 PolarHBondContact O-NE2 3.48Å; I79-Q81 VanDerWaalsContact O-NE2 3.13Å
80V95.9Very high95.2Very high19 Ų1940.5 Ų40.512%0.11521%0.21CC..EExtended strand (participates in β ladder)trans-64.8124.6173.1-172.70000109.5P74 M75 W83 L86P74-V80 CarbonylContact O-C 3.49Å; P74-V80 WeakPolarHBondContact O-CA 3.25Å; M75-V80 HydrophobicContact CG-CG2 4.19Å; V80-W83 HydrophobicContact CB-CD2 4.35Å; V80-W83 HydrophobicContact CB-CH2 4.03Å; V80-W83 HydrophobicContact CB-CZ2 3.82Å; V80-W83 HydrophobicContact CB-CZ3 4.39Å; V80-W83 HydrophobicContact CG1-CD2 3.69Å; V80-W83 HydrophobicContact CG1-CE3 3.9Å; V80-W83 HydrophobicContact CG1-CG 4.13Å; V80-W83 HydrophobicContact CG1-CH2 4.3Å; V80-W83 HydrophobicContact CG1-CZ2 4.1Å; V80-W83 HydrophobicContact CG1-CZ3 4.21Å; V80-W83 HydrophobicContact CG2-CH2 3.81Å; V80-W83 HydrophobicContact CG2-CZ2 4.11Å; V80-W83 HydrophobicContact CG2-CZ3 4.09Å; V80-L86 HydrophobicContact CB-CD2 4.39Å; V80-L86 HydrophobicContact CG1-CB 4.37Å; V80-L86 HydrophobicContact CG1-CD2 3.83Å; V80-L86 HydrophobicContact CG2-CD2 3.6Å
81Q95.1Very high95.5Very high107 Ų10740.9 Ų40.950%0.521%0.206SC..SBendtrans-101.4-30177.1-56.7-56.7-61.700111.8P74 M76 I79P74-Q81 PolarHBondContact O-N 3.47Å; M76-Q81 HydrophobicContact CB-CG 3.66Å; M76-Q81 HydrophobicContact CE-CG 4.5Å; I79-Q81 PolarHBondContact O-N 2.84Å; I79-Q81 PolarHBondContact O-NE2 3.48Å; I79-Q81 VanDerWaalsContact O-NE2 3.13Å
82N96.9Very high95.8Very high57 Ų5740.5 Ų40.531%0.30520%0.203SC..  trans-138.7111.5179.1-174-16.7000109.8P74 D84 D85 L86P74-N82 WeakPolarHBondContact CB-O 3.33Å; P74-N82 PolarHBondContact O-N 3.28Å; N82-D84 PolarHBondContact OD1-N 3.34Å; N82-D84 VanDerWaalsContact OD1-N 3.14Å; N82-D85 HydrophobicContact CB-CB 4.02Å; N82-D85 VanDerWaalsContact CG-CG 3.48Å; N82-D85 PolarHBondContact ND2-OD1 3.39Å; N82-D85 PolarHBondContact ND2-OD2 2.97Å; N82-D85 PolarHBondContact OD1-N 3.38Å; N82-L86 PolarHBondContact O-N 2.8Å
83W97.4Very high96Very high48 Ų4839.3 Ų39.318%0.18219%0.194CC..Hα-helixtrans-73.6-41.1-178.3-72.3103.3000112.7V80 D85 L86 E87 W90 N119 K122 M123 I126V80-W83 HydrophobicContact CB-CD2 4.35Å; V80-W83 HydrophobicContact CB-CH2 4.03Å; V80-W83 HydrophobicContact CB-CZ2 3.82Å; V80-W83 HydrophobicContact CB-CZ3 4.39Å; V80-W83 HydrophobicContact CG1-CD2 3.69Å; V80-W83 HydrophobicContact CG1-CE3 3.9Å; V80-W83 HydrophobicContact CG1-CG 4.13Å; V80-W83 HydrophobicContact CG1-CH2 4.3Å; V80-W83 HydrophobicContact CG1-CZ2 4.1Å; V80-W83 HydrophobicContact CG1-CZ3 4.21Å; V80-W83 HydrophobicContact CG2-CH2 3.81Å; V80-W83 HydrophobicContact CG2-CZ2 4.11Å; V80-W83 HydrophobicContact CG2-CZ3 4.09Å; W83-D85 VanDerWaalsContact C-N 3.28Å; W83-D85 PolarHBondContact O-N 3.43Å; W83-L86 HydrophobicContact CE3-CD2 4.24Å; W83-L86 HydrophobicContact CZ3-CD2 4.12Å; W83-L86 PolarHBondContact O-N 3.33Å; W83-L86 VanDerWaalsContact O-N 3.11Å; W83-E87 WeakPolarHBondContact O-CB 3.18Å; W83-E87 PolarHBondContact O-N 3.4Å; W83-W90 HydrophobicContact CZ3-CH2 4.3Å; W83-N119 HydrophobicContact CH2-CB 4.22Å; W83-N119 VanDerWaalsContact CH2-O 3.26Å; W83-N119 WeakPolarHBondContact CH2-O 3.36Å; W83-N119 HydrophobicContact CZ2-CB 3.85Å; W83-K122 HydrophobicContact CD2-CB 4.28Å; W83-K122 HydrophobicContact CD2-CG 3.51Å; W83-K122 HydrophobicContact CE3-CB 4.41Å; W83-K122 HydrophobicContact CE3-CG 3.76Å; W83-K122 HydrophobicContact CG-CG 3.99Å; W83-K122 HydrophobicContact CH2-CB 3.93Å; W83-K122 HydrophobicContact CH2-CG 4.17Å; W83-K122 HydrophobicContact CZ2-CB 3.78Å; W83-K122 HydrophobicContact CZ2-CG 3.95Å; W83-K122 HydrophobicContact CZ3-CB 4.23Å; W83-K122 HydrophobicContact CZ3-CG 4.07Å; W83-M123 HydrophobicContact CH2-CG 3.65Å; W83-M123 HydrophobicContact CZ3-CG 3.66Å; W83-I126 HydrophobicContact CB-CD1 4.42Å; W83-I126 HydrophobicContact CD2-CD1 4.33Å; W83-I126 HydrophobicContact CE3-CD1 3.57Å; W83-I126 HydrophobicContact CZ3-CD1 4.24Å
84D96.9Very high96.2Very high114 Ų11435.5 Ų35.561%0.6118%0.18SC*.Hα-helixtrans-62.3-39.6179.7-54.7-18000111N82 T88N82-D84 PolarHBondContact OD1-N 3.34Å; N82-D84 VanDerWaalsContact OD1-N 3.14Å; D84-T88 PolarHBondContact O-N 2.95Å; D84-T88 PolarHBondContact O-OG1 3.42Å
85D96.8Very high96.2Very high4 Ų438.8 Ų38.82%0.02120%0.2CC..Hα-helixtrans-68-39.3175.8-77.4-0.7000111.7L39 R41 S72 P74 N82 W83 T88 I89L39-D85 HydrophobicContact CD2-CB 3.85Å; L39-D85 WeakPolarHBondContact CD2-OD1 3.38Å; R41-D85 IonicContact CZ-OD1 2.97Å; R41-D85 IonicContact NH1-OD1 2.8Å; R41-D85 PolarHBondContact NH1-OD1 3.14Å; R41-D85 IonicContact NH1-OD2 3.52Å; R41-D85 IonicContact NH2-OD1 3.81Å; R41-D85 PolarHBondContact NH2-OD1 2.88Å; S72-D85 WeakPolarHBondContact CB-OD2 3.38Å; S72-D85 PolarHBondContact OG-OD2 3.43Å; P74-D85 HydrophobicContact CB-CB 3.8Å; P74-D85 HydrophobicContact CG-CB 4.32Å; N82-D85 HydrophobicContact CB-CB 4.02Å; N82-D85 VanDerWaalsContact CG-CG 3.48Å; N82-D85 PolarHBondContact ND2-OD1 3.39Å; N82-D85 PolarHBondContact ND2-OD2 2.97Å; N82-D85 PolarHBondContact OD1-N 3.38Å; W83-D85 VanDerWaalsContact C-N 3.28Å; W83-D85 PolarHBondContact O-N 3.43Å; D85-T88 PolarHBondContact O-N 2.92Å; D85-I89 WeakPolarHBondContact O-CG1 3.45Å; D85-I89 PolarHBondContact O-N 2.92Å; D85-I89 VanDerWaalsContact O-N 3.11Å
86L97.5Very high96.1Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-67.4-41.8176.9-178.359000111.5M37 P74 V80 N82 W83 T88 I89 W90M37-L86 HydrophobicContact CE-CD1 4.24Å; M37-L86 HydrophobicContact SD-CD1 3.93Å; P74-L86 HydrophobicContact CB-CB 4.12Å; V80-L86 HydrophobicContact CB-CD2 4.39Å; V80-L86 HydrophobicContact CG1-CB 4.37Å; V80-L86 HydrophobicContact CG1-CD2 3.83Å; V80-L86 HydrophobicContact CG2-CD2 3.6Å; N82-L86 PolarHBondContact O-N 2.8Å; W83-L86 HydrophobicContact CE3-CD2 4.24Å; W83-L86 HydrophobicContact CZ3-CD2 4.12Å; W83-L86 PolarHBondContact O-N 3.33Å; W83-L86 VanDerWaalsContact O-N 3.11Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.8Å; L86-I89 WeakPolarHBondContact O-CB 3.29Å; L86-I89 PolarHBondContact O-N 3.41Å; L86-I89 VanDerWaalsContact O-N 3.13Å; L86-W90 HydrophobicContact CD1-CD2 4.44Å; L86-W90 HydrophobicContact CD1-CZ2 4.15Å; L86-W90 HydrophobicContact CD2-CH2 3.66Å; L86-W90 HydrophobicContact CD2-CZ2 3.53Å; L86-W90 HydrophobicContact CD2-CZ3 4.3Å; L86-W90 HydrophobicContact CG-CD2 4.06Å; L86-W90 HydrophobicContact CG-CE3 4.26Å; L86-W90 HydrophobicContact CG-CH2 3.97Å; L86-W90 HydrophobicContact CG-CZ2 3.71Å; L86-W90 HydrophobicContact CG-CZ3 4.23Å; L86-W90 PolarHBondContact O-N 3.02Å
87E97.3Very high96.2Very high56 Ų5642.2 Ų42.226%0.26222%0.217SC..Hα-helixtrans-59.1-43.9174.4-173.6179.114400111.1W83 I89 W90 Q91 I126 F131W83-E87 WeakPolarHBondContact O-CB 3.18Å; W83-E87 PolarHBondContact O-N 3.4Å; E87-I89 VanDerWaalsContact C-N 3.29Å; E87-I89 PolarHBondContact O-N 2.93Å; E87-W90 PolarHBondContact O-N 3.37Å; E87-W90 VanDerWaalsContact O-N 3.16Å; E87-Q91 PolarHBondContact O-N 2.74Å; E87-I126 HydrophobicContact CB-CG2 4.46Å; E87-I126 HydrophobicContact CG-CG2 3.96Å; E87-F131 HydrophobicContact CG-CE2 3.98Å; E87-F131 HydrophobicContact CG-CZ 3.88Å
88T96.6Very high96.4Very high49 Ų4941.7 Ų41.730%0.30122%0.215SC..Hα-helixtrans-59.6-40.1174.7-54.80000111.8L39 C56 D84 D85 L86 Q91 H92L39-T88 HydrophobicContact CD1-CG2 3.75Å; L39-T88 HydrophobicContact CD2-CG2 4.37Å; C56-T88 HydrophobicContact CB-CG2 4.2Å; D84-T88 PolarHBondContact O-N 2.95Å; D84-T88 PolarHBondContact O-OG1 3.42Å; D85-T88 PolarHBondContact O-N 2.92Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.8Å; T88-Q91 PolarHBondContact O-N 3.19Å; T88-H92 PolarHBondContact O-N 3.34Å; T88-H92 VanDerWaalsContact O-N 3.09Å
89I97.2Very high96.6Very high0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-66.6-43175.5-68.4179.5000111.1L21 M37 L39 V58 P74 D85 L86 E87 Q91 H92 V93L21-I89 HydrophobicContact CD1-CG2 4.2Å; M37-I89 HydrophobicContact SD-CD1 3.77Å; M37-I89 HydrophobicContact SD-CG2 4.47Å; L39-I89 HydrophobicContact CB-CD1 4.45Å; L39-I89 HydrophobicContact CD1-CG1 4.41Å; V58-I89 HydrophobicContact CG1-CB 4.41Å; V58-I89 HydrophobicContact CG1-CG1 4.01Å; V58-I89 HydrophobicContact CG1-CG2 4.1Å; V58-I89 HydrophobicContact CG2-CG1 4.19Å; P74-I89 HydrophobicContact CG-CD1 3.58Å; D85-I89 WeakPolarHBondContact O-CG1 3.45Å; D85-I89 PolarHBondContact O-N 2.92Å; D85-I89 VanDerWaalsContact O-N 3.11Å; L86-I89 WeakPolarHBondContact O-CB 3.29Å; L86-I89 PolarHBondContact O-N 3.41Å; L86-I89 VanDerWaalsContact O-N 3.13Å; E87-I89 VanDerWaalsContact C-N 3.29Å; E87-I89 PolarHBondContact O-N 2.93Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.31Å; I89-H92 WeakPolarHBondContact O-CB 3.34Å; I89-H92 PolarHBondContact O-N 3.22Å; I89-V93 HydrophobicContact CG2-CG2 4.43Å; I89-V93 WeakPolarHBondContact O-CG2 3.2Å; I89-V93 PolarHBondContact O-N 2.85Å
90W98Very high96.6Very high0 Ų051 Ų510%025%0.247CC..Hα-helixtrans-61.9-41.7175.8-71.1-28.9000112N16 W83 L86 E87 H92 V93 F94 L109 M123 I126 M127 F131N16-W90 PolarHBondContact OD1-NE1 3.48Å; W83-W90 HydrophobicContact CZ3-CH2 4.3Å; L86-W90 HydrophobicContact CD1-CD2 4.44Å; L86-W90 HydrophobicContact CD1-CZ2 4.15Å; L86-W90 HydrophobicContact CD2-CH2 3.66Å; L86-W90 HydrophobicContact CD2-CZ2 3.53Å; L86-W90 HydrophobicContact CD2-CZ3 4.3Å; L86-W90 HydrophobicContact CG-CD2 4.06Å; L86-W90 HydrophobicContact CG-CE3 4.26Å; L86-W90 HydrophobicContact CG-CH2 3.97Å; L86-W90 HydrophobicContact CG-CZ2 3.71Å; L86-W90 HydrophobicContact CG-CZ3 4.23Å; L86-W90 PolarHBondContact O-N 3.02Å; E87-W90 PolarHBondContact O-N 3.37Å; E87-W90 VanDerWaalsContact O-N 3.16Å; W90-H92 VanDerWaalsContact C-N 3.33Å; W90-H92 PolarHBondContact O-N 3.04Å; W90-V93 WeakPolarHBondContact O-CB 3.26Å; W90-V93 PolarHBondContact O-N 3.25Å; W90-V93 VanDerWaalsContact O-N 3.13Å; W90-F94 HydrophobicContact CB-CE2 4.06Å; W90-F94 WeakPolarHBondContact O-CD2 3.31Å; W90-F94 WeakPolarHBondContact O-CG 3.46Å; W90-F94 PolarHBondContact O-N 3.34Å; W90-L109 HydrophobicContact CH2-CD2 4.15Å; W90-L109 HydrophobicContact CZ2-CD2 3.85Å; W90-M123 HydrophobicContact CH2-CB 4.43Å; W90-M123 HydrophobicContact CH2-CG 4.08Å; W90-I126 HydrophobicContact CE3-CG2 4.08Å; W90-I126 HydrophobicContact CZ3-CB 4.25Å; W90-I126 HydrophobicContact CZ3-CD1 4.15Å; W90-I126 HydrophobicContact CZ3-CG2 3.89Å; W90-M127 HydrophobicContact CD2-CE 3.56Å; W90-M127 HydrophobicContact CE3-CE 3.6Å; W90-M127 HydrophobicContact CG-CE 4.03Å; W90-M127 HydrophobicContact CH2-CE 4.2Å; W90-M127 HydrophobicContact CZ2-CE 4.19Å; W90-M127 HydrophobicContact CZ3-CE 3.93Å; W90-F131 HydrophobicContact CB-CE2 3.95Å; W90-F131 HydrophobicContact CB-CZ 3.76Å; W90-F131 AromaticContact CE3-CE2 3.94Å; W90-F131 HydrophobicContact CE3-CE2 3.94Å
91Q97.1Very high96.6Very high93 Ų9355 Ų5544%0.43527%0.268SS..Hα-helixtrans-58.6-44.5174.3-175.965.349.100111.7E87 T88 I89 V93 F94 T95 F131E87-Q91 PolarHBondContact O-N 2.74Å; T88-Q91 PolarHBondContact O-N 3.19Å; I89-Q91 VanDerWaalsContact C-N 3.34Å; I89-Q91 PolarHBondContact O-N 3.31Å; Q91-V93 VanDerWaalsContact C-N 3.35Å; Q91-F94 PolarHBondContact O-N 2.98Å; Q91-T95 PolarHBondContact NE2-OG1 3.21Å; Q91-T95 VanDerWaalsContact O-CB 3.26Å; Q91-T95 WeakPolarHBondContact O-CB 3.32Å; Q91-T95 PolarHBondContact O-N 3.47Å; Q91-T95 PolarHBondContact O-OG1 2.99Å; Q91-F131 HydrophobicContact CB-CE1 4.17Å; Q91-F131 HydrophobicContact CB-CZ 4.39Å; Q91-F131 VanDerWaalsContact OE1-CE1 3.3Å
92H96.2Very high96.7Very high29 Ų2950.6 Ų50.613%0.13425%0.249CC..Hα-helixtrans-60.6-43.6174.2173.790.3000111.5V58 T88 I89 W90 F94 T95 N96 E97V58-H92 HydrophobicContact CB-CB 4.07Å; V58-H92 HydrophobicContact CG1-CB 4.24Å; V58-H92 HydrophobicContact CG2-CB 3.71Å; T88-H92 PolarHBondContact O-N 3.34Å; T88-H92 VanDerWaalsContact O-N 3.09Å; I89-H92 WeakPolarHBondContact O-CB 3.34Å; I89-H92 PolarHBondContact O-N 3.22Å; W90-H92 VanDerWaalsContact C-N 3.33Å; W90-H92 PolarHBondContact O-N 3.04Å; H92-F94 PolarHBondContact O-N 3.23Å; H92-T95 PolarHBondContact O-N 2.9Å; H92-N96 WeakPolarHBondContact O-CA 3.42Å; H92-N96 VanDerWaalsContact O-CB 3.3Å; H92-N96 WeakPolarHBondContact O-CB 3.37Å; H92-N96 PolarHBondContact O-N 2.82Å; H92-E97 IonicContact CD2-OE1 2.69Å; H92-E97 IonicContact CE1-OE1 3.71Å; H92-E97 IonicContact NE2-OE1 3.2Å; H92-E97 PolarHBondContact NE2-OE1 2.95Å; H92-E97 PolarHBondContact O-N 3.02Å
93V97.1Very high96.6Very high0 Ų052.4 Ų52.40%026%0.255CS..Iπ-helixtrans-60.5-46.9177.9167.80000111.5L21 V23 V35 I89 W90 Q91 E97 L98L21-V93 HydrophobicContact CD1-CG2 4.3Å; L21-V93 HydrophobicContact CD2-CG1 4.27Å; L21-V93 HydrophobicContact CD2-CG2 3.69Å; V23-V93 HydrophobicContact CB-CG1 3.87Å; V23-V93 HydrophobicContact CG1-CG1 3.34Å; V23-V93 HydrophobicContact CG2-CG1 3.83Å; V35-V93 HydrophobicContact CG2-CG2 4.24Å; I89-V93 HydrophobicContact CG2-CG2 4.43Å; I89-V93 WeakPolarHBondContact O-CG2 3.2Å; I89-V93 PolarHBondContact O-N 2.85Å; W90-V93 WeakPolarHBondContact O-CB 3.26Å; W90-V93 PolarHBondContact O-N 3.25Å; W90-V93 VanDerWaalsContact O-N 3.13Å; Q91-V93 VanDerWaalsContact C-N 3.35Å; V93-E97 WeakPolarHBondContact O-CB 3.28Å; V93-E97 PolarHBondContact O-N 3.18Å; V93-L98 HydrophobicContact CG1-CG 4.45Å; V93-L98 PolarHBondContact O-N 3.34Å
94F97.6Very high96.5Very high1 Ų153.5 Ų53.50%0.00427%0.265CS..Iπ-helixtrans-67.2-42178.9-61.3-47.4000112.2I14 W90 Q91 H92 L98 R99 V100 P102 M107 M127 F131I14-F94 HydrophobicContact CD1-CE1 3.84Å; I14-F94 HydrophobicContact CD1-CZ 3.63Å; W90-F94 HydrophobicContact CB-CE2 4.06Å; W90-F94 WeakPolarHBondContact O-CD2 3.31Å; W90-F94 WeakPolarHBondContact O-CG 3.46Å; W90-F94 PolarHBondContact O-N 3.34Å; Q91-F94 PolarHBondContact O-N 2.98Å; H92-F94 PolarHBondContact O-N 3.23Å; F94-L98 HydrophobicContact CD1-CD1 4.47Å; F94-R99 VanDerWaalsContact O-CA 3.29Å; F94-R99 WeakPolarHBondContact O-CA 3.38Å; F94-R99 PolarHBondContact O-N 3.45Å; F94-V100 PolarHBondContact O-N 2.96Å; F94-P102 HydrophobicContact CD1-CB 4.25Å; F94-P102 HydrophobicContact CD2-CB 3.97Å; F94-P102 HydrophobicContact CD2-CG 3.95Å; F94-P102 HydrophobicContact CE1-CB 4.28Å; F94-P102 HydrophobicContact CE2-CB 4Å; F94-P102 HydrophobicContact CE2-CG 4.34Å; F94-P102 HydrophobicContact CG-CB 4.11Å; F94-P102 HydrophobicContact CG-CG 4.22Å; F94-P102 HydrophobicContact CZ-CB 4.15Å; F94-M107 HydrophobicContact CE1-CE 4.4Å; F94-M107 HydrophobicContact CE1-SD 3.79Å; F94-M107 HydrophobicContact CZ-SD 3.82Å; F94-M127 HydrophobicContact CE2-CE 4.38Å; F94-M127 HydrophobicContact CZ-CE 4.12Å; F94-M127 HydrophobicContact CZ-SD 4.24Å; F94-F131 AromaticContact CD2-CD1 3.75Å; F94-F131 HydrophobicContact CD2-CD1 3.75Å; F94-F131 AromaticContact CD2-CE1 3.71Å; F94-F131 HydrophobicContact CD2-CE1 3.71Å; F94-F131 HydrophobicContact CD2-CG 4.35Å; F94-F131 HydrophobicContact CD2-CZ 4.31Å; F94-F131 AromaticContact CE2-CD1 3.72Å; F94-F131 HydrophobicContact CE2-CD1 3.72Å; F94-F131 HydrophobicContact CE2-CD2 4.09Å; F94-F131 AromaticContact CE2-CE1 3.83Å; F94-F131 HydrophobicContact CE2-CE1 3.83Å; F94-F131 HydrophobicContact CE2-CE2 4.22Å; F94-F131 AromaticContact CE2-CG 3.84Å; F94-F131 HydrophobicContact CE2-CG 3.84Å; F94-F131 HydrophobicContact CE2-CZ 4.1Å
95T95.7Very high96.5Very high68 Ų6848.6 Ų48.642%0.41724%0.238SC..Iπ-helixtrans-82.5-45-171.6-49.10000112.9Q91 H92 R99Q91-T95 PolarHBondContact NE2-OG1 3.21Å; Q91-T95 VanDerWaalsContact O-CB 3.26Å; Q91-T95 WeakPolarHBondContact O-CB 3.32Å; Q91-T95 PolarHBondContact O-N 3.47Å; Q91-T95 PolarHBondContact O-OG1 2.99Å; H92-T95 PolarHBondContact O-N 2.9Å; T95-R99 WeakPolarHBondContact O-CA 3.37Å; T95-R99 WeakPolarHBondContact O-CG 3.48Å
96N94.8Very high96.5Very high88 Ų8848.4 Ų48.447%0.47124%0.237SC..Iπ-helixtrans-100.9-42.3-168.2-62.675.1000112.4H92H92-N96 WeakPolarHBondContact O-CA 3.42Å; H92-N96 VanDerWaalsContact O-CB 3.3Å; H92-N96 WeakPolarHBondContact O-CB 3.37Å; H92-N96 PolarHBondContact O-N 2.82Å
97E96.1Very high96.5Very high85 Ų8548.4 Ų48.440%0.39724%0.237SC..Iπ-helixtrans-83-55.9-176.2-54.4-61.8154.200111.5A33 V35 H92 V93A33-E97 HydrophobicContact CB-CB 3.75Å; A33-E97 HydrophobicContact CB-CG 4.15Å; V35-E97 HydrophobicContact CG2-CG 3.87Å; H92-E97 IonicContact CD2-OE1 2.69Å; H92-E97 IonicContact CE1-OE1 3.71Å; H92-E97 IonicContact NE2-OE1 3.2Å; H92-E97 PolarHBondContact NE2-OE1 2.95Å; H92-E97 PolarHBondContact O-N 3.02Å; V93-E97 WeakPolarHBondContact O-CB 3.28Å; V93-E97 PolarHBondContact O-N 3.18Å
98L96.4Very high96.5Very high19 Ų1945.8 Ų45.810%0.09923%0.225CC..Iπ-helixtrans-87.3-31-179.3-62-172.6000113.6I12 V23 R32 V93 F94 V100I12-L98 HydrophobicContact CD1-CD1 3.79Å; I12-L98 HydrophobicContact CG1-CD1 4.49Å; I12-L98 HydrophobicContact CG2-CD1 3.86Å; V23-L98 HydrophobicContact CG1-CD2 4.14Å; V23-L98 HydrophobicContact CG1-CG 4.3Å; V23-L98 HydrophobicContact CG2-CD1 3.76Å; V23-L98 HydrophobicContact CG2-CG 4.38Å; R32-L98 HydrophobicContact CB-CD2 3.71Å; R32-L98 HydrophobicContact CG-CD2 4.3Å; V93-L98 HydrophobicContact CG1-CG 4.45Å; V93-L98 PolarHBondContact O-N 3.34Å; F94-L98 HydrophobicContact CD1-CD1 4.47Å; L98-V100 HydrophobicContact CB-CG1 4.4Å; L98-V100 HydrophobicContact CB-CG2 3.79Å; L98-V100 HydrophobicContact CD1-CG2 4.19Å
99R96.9Very high96.6Very high205 Ų20543.4 Ų43.477%0.77421%0.21SC*.  trans58.349.9-176.4-52.4178.1-175.9-179.90.2112.6F94 T95F94-R99 VanDerWaalsContact O-CA 3.29Å; F94-R99 WeakPolarHBondContact O-CA 3.38Å; F94-R99 PolarHBondContact O-N 3.45Å; T95-R99 WeakPolarHBondContact O-CA 3.37Å; T95-R99 WeakPolarHBondContact O-CG 3.48Å
100V95.5Very high96.6Very high28 Ų2843.5 Ų43.517%0.1721%0.211CC..  trans-129.1162.3-179.1-630000111.8I12 Y25 F94 L98I12-V100 HydrophobicContact CD1-CG2 3.76Å; Y25-V100 WeakPolarHBondContact OH-CG1 3.23Å; F94-V100 PolarHBondContact O-N 2.96Å; L98-V100 HydrophobicContact CB-CG1 4.4Å; L98-V100 HydrophobicContact CB-CG2 3.79Å; L98-V100 HydrophobicContact CD1-CG2 4.19Å
101L95.8Very high96.5Very high103 Ų10343.9 Ų43.954%0.53921%0.213SC..  trans-92.6116.5169.5-62174.5000108.8E103 N104 H105L101-E103 HydrophobicContact CB-CG 4.02Å; L101-E103 PolarHBondContact O-N 3.32Å; L101-N104 PolarHBondContact O-N 2.91Å; L101-N104 VanDerWaalsContact O-N 3.09Å; L101-H105 PolarHBondContact O-CD2 3.49Å
102P96.3Very high96.4Very high16 Ų1639.8 Ų39.810%0.10419%0.194CC..G310 helixtrans-62.5-25.5-175.123.7-32.6000113.4F94 N104 H105 M107 F131F94-P102 HydrophobicContact CD1-CB 4.25Å; F94-P102 HydrophobicContact CD2-CB 3.97Å; F94-P102 HydrophobicContact CD2-CG 3.95Å; F94-P102 HydrophobicContact CE1-CB 4.28Å; F94-P102 HydrophobicContact CE2-CB 4Å; F94-P102 HydrophobicContact CE2-CG 4.34Å; F94-P102 HydrophobicContact CG-CB 4.11Å; F94-P102 HydrophobicContact CG-CG 4.22Å; F94-P102 HydrophobicContact CZ-CB 4.15Å; P102-N104 PolarHBondContact O-N 3.19Å; P102-N104 VanDerWaalsContact O-N 3.11Å; P102-H105 PolarHBondContact O-N 2.93Å; P102-H105 VanDerWaalsContact O-N 3.07Å; P102-H105 VanDerWaalsContact O-O 3.1Å; P102-M107 HydrophobicContact CB-CE 4.39Å; P102-F131 HydrophobicContact CB-CB 4.04Å; P102-F131 HydrophobicContact CG-CB 3.91Å; P102-F131 HydrophobicContact CG-CD1 3.85Å; P102-F131 HydrophobicContact CG-CG 4.3Å
103E96.5Very high96.3Very high95 Ų9538.4 Ų38.444%0.44419%0.188SC..G310 helixtrans-59.4-19.9174.767-175.2-173.300114.4L101 F131 H132 P134L101-E103 HydrophobicContact CB-CG 4.02Å; L101-E103 PolarHBondContact O-N 3.32Å; E103-F131 PolarHBondContact N-O 3.49Å; E103-H132 WeakPolarHBondContact CA-O 3.24Å; E103-H132 HydrophobicContact CB-CB 4.01Å; E103-P134 WeakPolarHBondContact O-CD 3.46Å
104N95.3Very high96Very high70 Ų7043.3 Ų43.337%0.37421%0.213SC..G310 helixtrans-88.6-10.7179-69.2-29.9000113.2N9 L101 P102N9-N104 VanDerWaalsContact CB-O 3.25Å; N9-N104 WeakPolarHBondContact CB-O 3.13Å; L101-N104 PolarHBondContact O-N 2.91Å; L101-N104 VanDerWaalsContact O-N 3.09Å; P102-N104 PolarHBondContact O-N 3.19Å; P102-N104 VanDerWaalsContact O-N 3.11Å
105H96.2Very high95.8Very high12 Ų1244.2 Ų44.26%0.05622%0.218CC..SBendtrans-128.9135.8-167.5-62.6-90.6000112.4P10 I12 L101 P102 M107 P134P10-H105 PolarHBondContact O-ND1 3.36Å; I12-H105 HydrophobicContact CD1-CB 3.78Å; I12-H105 HydrophobicContact CG1-CB 3.85Å; L101-H105 PolarHBondContact O-CD2 3.49Å; P102-H105 PolarHBondContact O-N 2.93Å; P102-H105 VanDerWaalsContact O-N 3.07Å; P102-H105 VanDerWaalsContact O-O 3.1Å; H105-M107 HydrophobicContact CB-CE 3.45Å; H105-M107 VanDerWaalsContact CB-CE 3.45Å; H105-M107 WeakPolarHBondContact O-CE 3.35Å; H105-P134 WeakPolarHBondContact O-CD 3.24Å
106P96.5Very high95.7Very high0 Ų043.9 Ų43.90%022%0.217CC..  trans-62.7145.5166.9-22.835.1000112F5 P11 I12 A135 W361F5-P106 HydrophobicContact CB-CG 4.34Å; F5-P106 HydrophobicContact CD1-CG 3.25Å; F5-P106 HydrophobicContact CD2-CG 3.58Å; F5-P106 HydrophobicContact CE1-CB 4.38Å; F5-P106 HydrophobicContact CE1-CG 3.21Å; F5-P106 HydrophobicContact CE2-CB 4.18Å; F5-P106 HydrophobicContact CE2-CG 3.51Å; F5-P106 HydrophobicContact CG-CG 3.43Å; F5-P106 VanDerWaalsContact CG-CG 3.43Å; F5-P106 HydrophobicContact CZ-CB 4.1Å; F5-P106 HydrophobicContact CZ-CG 3.31Å; P11-P106 CarbonylContact C-O 3.57Å; P11-P106 WeakPolarHBondContact CA-O 3.43Å; P11-P106 HydrophobicContact CB-CB 4.11Å; P11-P106 HydrophobicContact CB-CG 4.49Å; P11-P106 HydrophobicContact CG-CB 4.22Å; P11-P106 HydrophobicContact CG-CG 4.18Å; I12-P106 PolarHBondContact N-O 2.93Å; P106-A135 CarbonylContact C-O 3.58Å; P106-A135 WeakPolarHBondContact CA-O 3.3Å; P106-A135 HydrophobicContact CB-CB 4.3Å; P106-W361 HydrophobicContact CB-CD2 4.34Å; P106-W361 HydrophobicContact CB-CE3 4.15Å; P106-W361 HydrophobicContact CB-CH2 3.77Å; P106-W361 HydrophobicContact CB-CZ2 3.97Å; P106-W361 HydrophobicContact CB-CZ3 3.87Å
107M97.6Very high95.7Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-113.3109.4-177.1-62.7-64.7127.300111.6I12 I14 F94 P102 H105 L109 M127 A133 A135 V136 Y137 W361I12-M107 HydrophobicContact CB-CE 3.8Å; I12-M107 HydrophobicContact CB-SD 3.94Å; I12-M107 HydrophobicContact CD1-CE 3.86Å; I12-M107 HydrophobicContact CG1-CE 4.05Å; I12-M107 HydrophobicContact CG2-SD 4.3Å; I14-M107 HydrophobicContact CD1-SD 3.97Å; F94-M107 HydrophobicContact CE1-CE 4.4Å; F94-M107 HydrophobicContact CE1-SD 3.79Å; F94-M107 HydrophobicContact CZ-SD 3.82Å; P102-M107 HydrophobicContact CB-CE 4.39Å; H105-M107 HydrophobicContact CB-CE 3.45Å; H105-M107 VanDerWaalsContact CB-CE 3.45Å; H105-M107 WeakPolarHBondContact O-CE 3.35Å; M107-L109 HydrophobicContact CB-CD1 4Å; M107-M127 HydrophobicContact CB-SD 4.32Å; M107-M127 HydrophobicContact CG-SD 3.94Å; M107-A133 HydrophobicContact CG-CB 3.76Å; M107-A135 PolarHBondContact N-O 3.11Å; M107-V136 HydrophobicContact CB-CG2 4.38Å; M107-V136 WeakPolarHBondContact O-CA 3.49Å; M107-Y137 PolarHBondContact O-N 3.2Å; M107-W361 WeakPolarHBondContact O-CZ3 3.4Å
108L98.1Very high95.6Very high0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-90.3113.2165.6-168.4153.9000108.6I12 V13 I14 Y137 L144 L351 A352 F357 W361I12-L108 PolarHBondContact O-N 3.22Å; V13-L108 CarbonylContact C-O 3.56Å; V13-L108 WeakPolarHBondContact CA-O 3.38Å; V13-L108 HydrophobicContact CG1-CD2 4.1Å; V13-L108 HydrophobicContact CG2-CB 4.27Å; I14-L108 PolarHBondContact N-O 3.15Å; L108-Y137 CarbonylContact C-O 3.54Å; L108-Y137 WeakPolarHBondContact CA-O 3.35Å; L108-Y137 HydrophobicContact CD1-CD1 4.25Å; L108-Y137 HydrophobicContact CG-CD1 4.28Å; L108-L144 HydrophobicContact CD2-CD1 3.92Å; L108-L351 HydrophobicContact CD1-CD2 4.35Å; L108-A352 HydrophobicContact CD1-CB 4.02Å; L108-F357 HydrophobicContact CD1-CE1 4.26Å; L108-F357 HydrophobicContact CD1-CZ 4.21Å; L108-W361 HydrophobicContact CB-CH2 3.87Å; L108-W361 HydrophobicContact CB-CZ3 4.29Å
109L98.2Very high95.6Very high0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-105155174-54.195.4000111.1I14 W90 M107 M123 M127 V136 Y137 I138 S139I14-L109 WeakPolarHBondContact O-CA 3.3Å; W90-L109 HydrophobicContact CH2-CD2 4.15Å; W90-L109 HydrophobicContact CZ2-CD2 3.85Å; M107-L109 HydrophobicContact CB-CD1 4Å; L109-M123 HydrophobicContact CD2-CB 4.41Å; L109-M123 HydrophobicContact CD2-SD 4.4Å; L109-M127 HydrophobicContact CD1-CG 3.98Å; L109-M127 HydrophobicContact CD2-CE 3.58Å; L109-M127 HydrophobicContact CD2-CG 4.09Å; L109-M127 HydrophobicContact CD2-SD 4.48Å; L109-M127 HydrophobicContact CG-CE 4.47Å; L109-V136 HydrophobicContact CD1-CG1 3.69Å; L109-Y137 PolarHBondContact N-O 3.34Å; L109-I138 HydrophobicContact CB-CG1 4.34Å; L109-I138 HydrophobicContact CD1-CG1 4.3Å; L109-I138 WeakPolarHBondContact O-CA 3.4Å; L109-S139 PolarHBondContact O-N 3.13Å
110T97.2Very high95.5Very high2 Ų238.6 Ų38.61%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-106.2148.4176.2720000112.1I14 D15 N16 S139 Q141 L144 V344I14-T110 PolarHBondContact O-N 2.97Å; I14-T110 VanDerWaalsContact O-N 3.12Å; D15-T110 WeakPolarHBondContact CA-OG1 3.46Å; D15-T110 HydrophobicContact CB-CG2 3.97Å; D15-T110 PolarHBondContact OD1-OG1 2.97Å; N16-T110 PolarHBondContact N-OG1 3.06Å; T110-S139 CarbonylContact C-O 3.41Å; T110-S139 WeakPolarHBondContact CA-O 3.28Å; T110-Q141 PolarHBondContact OG1-NE2 2.85Å; T110-L144 HydrophobicContact CG2-CD1 3.54Å; T110-V344 HydrophobicContact CG2-CG1 3.8Å
111E95.9Very high95.6Very high8 Ų839.5 Ų39.54%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-131.4154.8167.658.6172.1-14400112.6N115 R120 M123 I138 S139 I140 Q141E111-N115 HydrophobicContact CB-CB 4.14Å; E111-N115 PolarHBondContact OE2-ND2 3.41Å; E111-R120 IonicContact OE1-CZ 3.49Å; E111-R120 VanDerWaalsContact OE1-CZ 3.28Å; E111-R120 IonicContact OE1-NE 2.74Å; E111-R120 PolarHBondContact OE1-NE 3.28Å; E111-R120 IonicContact OE1-NH2 3.37Å; E111-R120 PolarHBondContact OE1-NH2 3Å; E111-R120 IonicContact OE2-CZ 3.56Å; E111-R120 IonicContact OE2-NE 2.65Å; E111-R120 PolarHBondContact OE2-NE 2.79Å; E111-R120 IonicContact OE2-NH2 3.4Å; E111-M123 HydrophobicContact CB-CE 4.07Å; E111-I138 HydrophobicContact CB-CG2 4.19Å; E111-I138 HydrophobicContact CG-CG2 3.74Å; E111-S139 PolarHBondContact N-O 2.95Å; E111-I140 HydrophobicContact CG-CG1 4.39Å; E111-I140 WeakPolarHBondContact O-CA 3.29Å; E111-Q141 WeakPolarHBondContact O-CG 3.48Å; E111-Q141 PolarHBondContact O-N 3.25Å
112T94.7Very high95.7Very high6 Ų637.5 Ų37.54%0.03719%0.191CC..  trans-72.5153.7170.954.30000111G78 N115G78-T112 PolarHBondContact O-OG1 2.9Å; T112-N115 WeakPolarHBondContact O-CB 3.35Å; T112-N115 PolarHBondContact O-N 3.34Å
113P93.5Very high95.7Very high1 Ų137.1 Ų37.11%0.00619%0.188CC..THydrogen-bonded Turntrans-57.4148.4170.928.5-38.4000111.3N115 I140 H165 V167 I179P113-N115 PolarHBondContact O-N 3.39Å; P113-I140 HydrophobicContact CB-CG2 4.27Å; P113-H165 HydrophobicContact CG-CB 3.8Å; P113-H165 VanDerWaalsContact CG-CD2 3.4Å; P113-H165 WeakPolarHBondContact CG-CD2 3.34Å; P113-V167 HydrophobicContact CB-CG2 4.01Å; P113-V167 HydrophobicContact CG-CG2 3.66Å; P113-I179 HydrophobicContact CB-CD1 3.96Å; P113-I179 HydrophobicContact CB-CG2 4.09Å; P113-I179 HydrophobicContact CG-CG2 4.31Å
114L92Very high95.8Very high102 Ų10232.6 Ų32.653%0.53417%0.167SC..THydrogen-bonded Turntrans61.625.5-178.1-47.8173.5000113.7I179L114-I179 HydrophobicContact CD1-CB 4.48Å; L114-I179 HydrophobicContact CD1-CG2 4.06Å; L114-I179 HydrophobicContact CD2-CD1 4.05Å; L114-I179 HydrophobicContact CG-CD1 4.25Å; L114-I179 HydrophobicContact CG-CG2 4.28Å
115N93.5Very high95.9Very high21 Ų2131.7 Ų31.711%0.11216%0.161CC..  trans-63.5132.9170.3-173.338.5000110E111 T112 P113 K117 N119E111-N115 HydrophobicContact CB-CB 4.14Å; E111-N115 PolarHBondContact OE2-ND2 3.41Å; T112-N115 WeakPolarHBondContact O-CB 3.35Å; T112-N115 PolarHBondContact O-N 3.34Å; P113-N115 PolarHBondContact O-N 3.39Å; N115-K117 PolarHBondContact O-N 3.48Å; N115-N119 WeakPolarHBondContact OD1-CB 3.46Å; N115-N119 PolarHBondContact OD1-ND2 3.24Å
116P93.1Very high96Very high60 Ų6031.3 Ų31.339%0.3916%0.159SC..  trans-55.6137.8174.4-2735.5000111.9V118 N119 R120P116-V118 PolarHBondContact O-N 2.94Å; P116-N119 WeakPolarHBondContact O-CB 3.45Å; P116-N119 PolarHBondContact O-N 3.4Å; P116-R120 PolarHBondContact O-N 3.08Å
117K93.9Very high96.1Very high133 Ų13331.3 Ų31.358%0.57816%0.159SC*.Hα-helixtrans-53.9-41.2178.3-70.7-171176.6-170.70112.4N115 N119 R120 E121N115-K117 PolarHBondContact O-N 3.48Å; K117-N119 PolarHBondContact O-N 3.06Å; K117-R120 WeakPolarHBondContact O-CA 3.31Å; K117-R120 WeakPolarHBondContact O-CB 3.47Å; K117-R120 PolarHBondContact O-N 3.36Å; K117-E121 VanDerWaalsContact O-CG 3.3Å; K117-E121 WeakPolarHBondContact O-CG 3.19Å; K117-E121 PolarHBondContact O-N 2.85Å
118V95.1Very high96.1Very high101 Ų10131.3 Ų31.361%0.61216%0.159SC*.Hα-helixtrans-58.2-35.2177-178.70000112P116 K122P116-V118 PolarHBondContact O-N 2.94Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.84Å
119N95.5Very high96.1Very high22 Ų2235.5 Ų35.512%0.11818%0.178CC..Hα-helixtrans-71.3-40176.5-71.83.5000111.5W83 N115 P116 K117 E121 K122 M123W83-N119 HydrophobicContact CH2-CB 4.22Å; W83-N119 VanDerWaalsContact CH2-O 3.26Å; W83-N119 WeakPolarHBondContact CH2-O 3.36Å; W83-N119 HydrophobicContact CZ2-CB 3.85Å; N115-N119 WeakPolarHBondContact OD1-CB 3.46Å; N115-N119 PolarHBondContact OD1-ND2 3.24Å; P116-N119 WeakPolarHBondContact O-CB 3.45Å; P116-N119 PolarHBondContact O-N 3.4Å; K117-N119 PolarHBondContact O-N 3.06Å; N119-E121 VanDerWaalsContact C-N 3.33Å; N119-K122 PolarHBondContact O-N 3.07Å; N119-M123 WeakPolarHBondContact O-CG 3.49Å; N119-M123 PolarHBondContact O-N 3.12Å
120R95.7Very high96.1Very high30 Ų3040.7 Ų40.711%0.11320%0.203CC..Hα-helixtrans-60-46.8174.4-175.9-173.1-65.8-177.1-10.9111E111 P116 K117 M123 A124 I138 C379E111-R120 IonicContact OE1-CZ 3.49Å; E111-R120 VanDerWaalsContact OE1-CZ 3.28Å; E111-R120 IonicContact OE1-NE 2.74Å; E111-R120 PolarHBondContact OE1-NE 3.28Å; E111-R120 IonicContact OE1-NH2 3.37Å; E111-R120 PolarHBondContact OE1-NH2 3Å; E111-R120 IonicContact OE2-CZ 3.56Å; E111-R120 IonicContact OE2-NE 2.65Å; E111-R120 PolarHBondContact OE2-NE 2.79Å; E111-R120 IonicContact OE2-NH2 3.4Å; P116-R120 PolarHBondContact O-N 3.08Å; K117-R120 WeakPolarHBondContact O-CA 3.31Å; K117-R120 WeakPolarHBondContact O-CB 3.47Å; K117-R120 PolarHBondContact O-N 3.36Å; R120-M123 PolarHBondContact O-N 3.01Å; R120-A124 PolarHBondContact O-N 3.45Å; R120-I138 HydrophobicContact CG-CB 4.27Å; R120-I138 HydrophobicContact CG-CD1 3.59Å; R120-I138 HydrophobicContact CG-CG2 4.09Å; R120-I138 VanDerWaalsContact O-CD1 3.25Å; R120-I138 WeakPolarHBondContact O-CD1 3.18Å; R120-C379 PolarHBondContact NH1-O 2.87Å
121E97.3Very high96.1Very high47 Ų4740.9 Ų40.922%0.2220%0.203CC..Hα-helixtrans-58.8-47.5175.9-70.3171.2179.800111.2K117 N119 M123 A124 E125 L372 H376K117-E121 VanDerWaalsContact O-CG 3.3Å; K117-E121 WeakPolarHBondContact O-CG 3.19Å; K117-E121 PolarHBondContact O-N 2.85Å; N119-E121 VanDerWaalsContact C-N 3.33Å; E121-M123 VanDerWaalsContact C-N 3.34Å; E121-M123 PolarHBondContact O-N 3.29Å; E121-A124 PolarHBondContact O-N 2.8Å; E121-A124 VanDerWaalsContact O-N 3.1Å; E121-E125 WeakPolarHBondContact O-CB 3.31Å; E121-E125 PolarHBondContact O-N 3.01Å; E121-L372 HydrophobicContact CB-CB 4.4Å; E121-L372 HydrophobicContact CB-CD1 3.99Å; E121-L372 HydrophobicContact CB-CD2 4.05Å; E121-L372 HydrophobicContact CB-CG 4.37Å; E121-L372 HydrophobicContact CG-CB 4.04Å; E121-L372 HydrophobicContact CG-CD1 4.43Å; E121-L372 HydrophobicContact CG-CD2 4.48Å; E121-L372 WeakPolarHBondContact O-CD2 3.21Å; E121-H376 IonicContact OE1-CD2 2.8Å; E121-H376 IonicContact OE1-CE1 2.81Å; E121-H376 IonicContact OE1-NE2 3.21Å; E121-H376 PolarHBondContact OE1-NE2 3.4Å
122K97.6Very high96.2Very high62 Ų6244.1 Ų44.127%0.2722%0.218SC..Hα-helixtrans-63.5-35.8-179.9-17058.1176.4-179.90113.2W83 V118 N119 A124 E125 I126W83-K122 HydrophobicContact CD2-CB 4.28Å; W83-K122 HydrophobicContact CD2-CG 3.51Å; W83-K122 HydrophobicContact CE3-CB 4.41Å; W83-K122 HydrophobicContact CE3-CG 3.76Å; W83-K122 HydrophobicContact CG-CG 3.99Å; W83-K122 HydrophobicContact CH2-CB 3.93Å; W83-K122 HydrophobicContact CH2-CG 4.17Å; W83-K122 HydrophobicContact CZ2-CB 3.78Å; W83-K122 HydrophobicContact CZ2-CG 3.95Å; W83-K122 HydrophobicContact CZ3-CB 4.23Å; W83-K122 HydrophobicContact CZ3-CG 4.07Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.84Å; N119-K122 PolarHBondContact O-N 3.07Å; K122-A124 VanDerWaalsContact C-N 3.35Å; K122-E125 VanDerWaalsContact CD-OE2 3.24Å; K122-E125 WeakPolarHBondContact CD-OE2 3.21Å; K122-E125 VanDerWaalsContact NZ-CD 3.33Å; K122-E125 IonicContact NZ-OE1 2.66Å; K122-E125 PolarHBondContact NZ-OE1 3.03Å; K122-E125 IonicContact NZ-OE2 2.86Å; K122-E125 PolarHBondContact NZ-OE2 3.09Å; K122-I126 HydrophobicContact CD-CD1 4.32Å; K122-I126 HydrophobicContact CD-CG1 4.35Å; K122-I126 HydrophobicContact CG-CD1 4.07Å; K122-I126 VanDerWaalsContact O-CG1 3.29Å; K122-I126 WeakPolarHBondContact O-CG1 3.22Å; K122-I126 PolarHBondContact O-N 3.34Å; K122-I126 VanDerWaalsContact O-N 3.07Å
123M97.1Very high96.4Very high8 Ų843.8 Ų43.84%0.03922%0.216CC..Hα-helixtrans-59.8-46172.2-70.7-168.9-73.800111.6W83 W90 L109 E111 N119 R120 E121 M127 I138W83-M123 HydrophobicContact CH2-CG 3.65Å; W83-M123 HydrophobicContact CZ3-CG 3.66Å; W90-M123 HydrophobicContact CH2-CB 4.43Å; W90-M123 HydrophobicContact CH2-CG 4.08Å; L109-M123 HydrophobicContact CD2-CB 4.41Å; L109-M123 HydrophobicContact CD2-SD 4.4Å; E111-M123 HydrophobicContact CB-CE 4.07Å; N119-M123 WeakPolarHBondContact O-CG 3.49Å; N119-M123 PolarHBondContact O-N 3.12Å; R120-M123 PolarHBondContact O-N 3.01Å; E121-M123 VanDerWaalsContact C-N 3.34Å; E121-M123 PolarHBondContact O-N 3.29Å; M123-M127 WeakPolarHBondContact O-CB 3.27Å; M123-M127 WeakPolarHBondContact O-CG 3.4Å; M123-M127 PolarHBondContact O-N 3.21Å; M123-M127 VanDerWaalsContact O-N 3.12Å; M123-I138 HydrophobicContact CB-CD1 4.1Å; M123-I138 HydrophobicContact CE-CD1 4.14Å; M123-I138 HydrophobicContact CE-CG2 3.81Å
124A97.6Very high96.5Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-69.7-41.9-179.700000112.2R120 E121 K122 I126 M127 F128 V136 I138 L372 L375R120-A124 PolarHBondContact O-N 3.45Å; E121-A124 PolarHBondContact O-N 2.8Å; E121-A124 VanDerWaalsContact O-N 3.1Å; K122-A124 VanDerWaalsContact C-N 3.35Å; A124-I126 PolarHBondContact O-N 3.11Å; A124-M127 PolarHBondContact O-N 2.77Å; A124-F128 HydrophobicContact CB-CD2 4.35Å; A124-F128 HydrophobicContact CB-CE2 4.35Å; A124-F128 WeakPolarHBondContact O-CD2 3.44Å; A124-F128 PolarHBondContact O-N 3.16Å; A124-V136 HydrophobicContact CB-CG1 4.32Å; A124-I138 HydrophobicContact CB-CD1 4.18Å; A124-L372 HydrophobicContact CB-CD2 4.33Å; A124-L375 HydrophobicContact CB-CD1 3.34Å; A124-L375 HydrophobicContact CB-CD2 3.83Å; A124-L375 HydrophobicContact CB-CG 4.21Å
125E98Very high96.7Very high51 Ų5140.7 Ų40.724%0.23820%0.202CC..Hα-helixtrans-53.2-53.2174.4-174.5-162.5134.900110.4E121 K122 M127 F128 E129 L372E121-E125 WeakPolarHBondContact O-CB 3.31Å; E121-E125 PolarHBondContact O-N 3.01Å; K122-E125 VanDerWaalsContact CD-OE2 3.24Å; K122-E125 WeakPolarHBondContact CD-OE2 3.21Å; K122-E125 VanDerWaalsContact NZ-CD 3.33Å; K122-E125 IonicContact NZ-OE1 2.66Å; K122-E125 PolarHBondContact NZ-OE1 3.03Å; K122-E125 IonicContact NZ-OE2 2.86Å; K122-E125 PolarHBondContact NZ-OE2 3.09Å; E125-M127 VanDerWaalsContact C-N 3.33Å; E125-M127 PolarHBondContact O-N 2.97Å; E125-F128 PolarHBondContact O-N 3.19Å; E125-E129 HydrophobicContact CG-CG 4.38Å; E125-E129 WeakPolarHBondContact O-CB 3.4Å; E125-E129 WeakPolarHBondContact O-CG 3.48Å; E125-E129 PolarHBondContact O-N 3.21Å; E125-L372 HydrophobicContact CB-CD2 4.42Å
126I98.4Very high96.9Very high3 Ų339.7 Ų39.72%0.01520%0.197CC..Hα-helixtrans-60.4-43.3178.7-65.8166.5000110.9W83 E87 W90 K122 A124 Q130 F131W83-I126 HydrophobicContact CB-CD1 4.42Å; W83-I126 HydrophobicContact CD2-CD1 4.33Å; W83-I126 HydrophobicContact CE3-CD1 3.57Å; W83-I126 HydrophobicContact CZ3-CD1 4.24Å; E87-I126 HydrophobicContact CB-CG2 4.46Å; E87-I126 HydrophobicContact CG-CG2 3.96Å; W90-I126 HydrophobicContact CE3-CG2 4.08Å; W90-I126 HydrophobicContact CZ3-CB 4.25Å; W90-I126 HydrophobicContact CZ3-CD1 4.15Å; W90-I126 HydrophobicContact CZ3-CG2 3.89Å; K122-I126 HydrophobicContact CD-CD1 4.32Å; K122-I126 HydrophobicContact CD-CG1 4.35Å; K122-I126 HydrophobicContact CG-CD1 4.07Å; K122-I126 VanDerWaalsContact O-CG1 3.29Å; K122-I126 WeakPolarHBondContact O-CG1 3.22Å; K122-I126 PolarHBondContact O-N 3.34Å; K122-I126 VanDerWaalsContact O-N 3.07Å; A124-I126 PolarHBondContact O-N 3.11Å; I126-Q130 HydrophobicContact CG2-CB 4.27Å; I126-Q130 HydrophobicContact CG2-CG 4.33Å; I126-Q130 WeakPolarHBondContact O-CA 3.4Å; I126-Q130 WeakPolarHBondContact O-CB 3.5Å; I126-Q130 PolarHBondContact O-N 3.19Å; I126-F131 HydrophobicContact CG2-CD2 3.84Å; I126-F131 HydrophobicContact CG2-CE2 3.6Å; I126-F131 PolarHBondContact O-N 2.78Å; I126-F131 VanDerWaalsContact O-N 3.13Å
127M98.2Very high97.2Very high0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-65-40.6-179.1-72.4-68.5166.600113I14 W90 F94 M107 L109 M123 A124 E125 F131 H132 A133 V136I14-M127 HydrophobicContact CD1-CE 3.84Å; W90-M127 HydrophobicContact CD2-CE 3.56Å; W90-M127 HydrophobicContact CE3-CE 3.6Å; W90-M127 HydrophobicContact CG-CE 4.03Å; W90-M127 HydrophobicContact CH2-CE 4.2Å; W90-M127 HydrophobicContact CZ2-CE 4.19Å; W90-M127 HydrophobicContact CZ3-CE 3.93Å; F94-M127 HydrophobicContact CE2-CE 4.38Å; F94-M127 HydrophobicContact CZ-CE 4.12Å; F94-M127 HydrophobicContact CZ-SD 4.24Å; M107-M127 HydrophobicContact CB-SD 4.32Å; M107-M127 HydrophobicContact CG-SD 3.94Å; L109-M127 HydrophobicContact CD1-CG 3.98Å; L109-M127 HydrophobicContact CD2-CE 3.58Å; L109-M127 HydrophobicContact CD2-CG 4.09Å; L109-M127 HydrophobicContact CD2-SD 4.48Å; L109-M127 HydrophobicContact CG-CE 4.47Å; M123-M127 WeakPolarHBondContact O-CB 3.27Å; M123-M127 WeakPolarHBondContact O-CG 3.4Å; M123-M127 PolarHBondContact O-N 3.21Å; M123-M127 VanDerWaalsContact O-N 3.12Å; A124-M127 PolarHBondContact O-N 2.77Å; E125-M127 VanDerWaalsContact C-N 3.33Å; E125-M127 PolarHBondContact O-N 2.97Å; M127-F131 HydrophobicContact CE-CD2 4.25Å; M127-F131 HydrophobicContact CE-CE2 4.46Å; M127-F131 CarbonylContact O-C 3.4Å; M127-F131 HydrophobicContact SD-CB 4.43Å; M127-F131 HydrophobicContact SD-CD2 3.85Å; M127-F131 HydrophobicContact SD-CG 4.45Å; M127-H132 PolarHBondContact O-N 3.25Å; M127-H132 VanDerWaalsContact O-N 3.11Å; M127-A133 HydrophobicContact CB-CB 4.36Å; M127-A133 VanDerWaalsContact O-CB 3.32Å; M127-A133 WeakPolarHBondContact O-CB 3.46Å; M127-A133 PolarHBondContact O-N 2.91Å; M127-V136 HydrophobicContact CB-CG2 3.69Å
128F98.2Very high97.3Very high1 Ų131.5 Ų31.50%0.00416%0.155CC..Hα-helixtrans-79-40.5178-74-58.7000113.2A124 E125 H132 A133 V136 V362 R364 Y367A124-F128 HydrophobicContact CB-CD2 4.35Å; A124-F128 HydrophobicContact CB-CE2 4.35Å; A124-F128 WeakPolarHBondContact O-CD2 3.44Å; A124-F128 PolarHBondContact O-N 3.16Å; E125-F128 PolarHBondContact O-N 3.19Å; F128-H132 VanDerWaalsContact O-CA 3.3Å; F128-H132 WeakPolarHBondContact O-CA 3.43Å; F128-H132 PolarHBondContact O-N 2.85Å; F128-A133 WeakPolarHBondContact CD1-O 3.46Å; F128-V136 HydrophobicContact CD1-CG2 4.24Å; F128-V136 HydrophobicContact CD2-CG2 4.18Å; F128-V136 HydrophobicContact CE1-CB 4.31Å; F128-V136 HydrophobicContact CE1-CG2 3.82Å; F128-V136 HydrophobicContact CE2-CB 3.81Å; F128-V136 HydrophobicContact CE2-CG2 3.76Å; F128-V136 HydrophobicContact CG-CG2 4.4Å; F128-V136 HydrophobicContact CZ-CB 3.61Å; F128-V136 HydrophobicContact CZ-CG2 3.56Å; F128-V362 HydrophobicContact CE2-CG1 4.19Å; F128-V362 HydrophobicContact CZ-CB 4.42Å; F128-V362 HydrophobicContact CZ-CG1 4.01Å; F128-V362 WeakPolarHBondContact CZ-O 3.31Å; F128-R364 HydrophobicContact CD1-CB 3.92Å; F128-R364 HydrophobicContact CD1-CG 4.03Å; F128-R364 HydrophobicContact CE1-CB 3.97Å; F128-Y367 HydrophobicContact CB-CD1 3.82Å; F128-Y367 HydrophobicContact CB-CE1 3.87Å; F128-Y367 HydrophobicContact CB-CG 4.32Å; F128-Y367 AromaticContact CD2-CD1 3.97Å; F128-Y367 HydrophobicContact CD2-CD1 3.97Å; F128-Y367 AromaticContact CD2-CD2 3.68Å; F128-Y367 HydrophobicContact CD2-CD2 3.68Å; F128-Y367 HydrophobicContact CD2-CE1 4.44Å; F128-Y367 HydrophobicContact CD2-CE2 4.17Å; F128-Y367 AromaticContact CD2-CG 3.56Å; F128-Y367 HydrophobicContact CD2-CG 3.56Å; F128-Y367 HydrophobicContact CE2-CD2 4.05Å; F128-Y367 AromaticContact CE2-CG 3.95Å; F128-Y367 HydrophobicContact CE2-CG 3.95Å; F128-Y367 AromaticContact CG-CD1 3.91Å; F128-Y367 HydrophobicContact CG-CD1 3.91Å; F128-Y367 HydrophobicContact CG-CD2 4.44Å; F128-Y367 HydrophobicContact CG-CE1 4.38Å; F128-Y367 AromaticContact CG-CG 3.93Å; F128-Y367 HydrophobicContact CG-CG 3.93Å
129E98.1Very high97.4Very high87 Ų8726.9 Ų26.941%0.40713%0.127SC..Hα-helixtrans-88.9-44.4-170.6-62.5-170.9-177.500112.9E125 H132 Y367E125-E129 HydrophobicContact CG-CG 4.38Å; E125-E129 WeakPolarHBondContact O-CB 3.4Å; E125-E129 WeakPolarHBondContact O-CG 3.48Å; E125-E129 PolarHBondContact O-N 3.21Å; E129-H132 PolarHBondContact O-CE1 3.05Å; E129-H132 PolarHBondContact O-ND1 3.36Å; E129-Y367 HydrophobicContact CG-CE1 4.22Å; E129-Y367 PolarHBondContact OE1-OH 3.2Å
130Q97.7Very high97.4Very high109 Ų10926.6 Ų26.651%0.50913%0.125SC..THydrogen-bonded Turntrans-90.4-45.5-178.9-56.5-56.1-30.500112I126I126-Q130 HydrophobicContact CG2-CB 4.27Å; I126-Q130 HydrophobicContact CG2-CG 4.33Å; I126-Q130 WeakPolarHBondContact O-CA 3.4Å; I126-Q130 WeakPolarHBondContact O-CB 3.5Å; I126-Q130 PolarHBondContact O-N 3.19Å
131F98.1Very high97.5Very high7 Ų725.7 Ų25.73%0.03112%0.123CC..SBendtrans-93.2-3.8-178-64.1-64.8000114.3E87 W90 Q91 F94 P102 E103 I126 M127 A133E87-F131 HydrophobicContact CG-CE2 3.98Å; E87-F131 HydrophobicContact CG-CZ 3.88Å; W90-F131 HydrophobicContact CB-CE2 3.95Å; W90-F131 HydrophobicContact CB-CZ 3.76Å; W90-F131 AromaticContact CE3-CE2 3.94Å; W90-F131 HydrophobicContact CE3-CE2 3.94Å; Q91-F131 HydrophobicContact CB-CE1 4.17Å; Q91-F131 HydrophobicContact CB-CZ 4.39Å; Q91-F131 VanDerWaalsContact OE1-CE1 3.3Å; F94-F131 AromaticContact CD2-CD1 3.75Å; F94-F131 HydrophobicContact CD2-CD1 3.75Å; F94-F131 AromaticContact CD2-CE1 3.71Å; F94-F131 HydrophobicContact CD2-CE1 3.71Å; F94-F131 HydrophobicContact CD2-CG 4.35Å; F94-F131 HydrophobicContact CD2-CZ 4.31Å; F94-F131 AromaticContact CE2-CD1 3.72Å; F94-F131 HydrophobicContact CE2-CD1 3.72Å; F94-F131 HydrophobicContact CE2-CD2 4.09Å; F94-F131 AromaticContact CE2-CE1 3.83Å; F94-F131 HydrophobicContact CE2-CE1 3.83Å; F94-F131 HydrophobicContact CE2-CE2 4.22Å; F94-F131 AromaticContact CE2-CG 3.84Å; F94-F131 HydrophobicContact CE2-CG 3.84Å; F94-F131 HydrophobicContact CE2-CZ 4.1Å; P102-F131 HydrophobicContact CB-CB 4.04Å; P102-F131 HydrophobicContact CG-CB 3.91Å; P102-F131 HydrophobicContact CG-CD1 3.85Å; P102-F131 HydrophobicContact CG-CG 4.3Å; E103-F131 PolarHBondContact N-O 3.49Å; I126-F131 HydrophobicContact CG2-CD2 3.84Å; I126-F131 HydrophobicContact CG2-CE2 3.6Å; I126-F131 PolarHBondContact O-N 2.78Å; I126-F131 VanDerWaalsContact O-N 3.13Å; M127-F131 HydrophobicContact CE-CD2 4.25Å; M127-F131 HydrophobicContact CE-CE2 4.46Å; M127-F131 CarbonylContact O-C 3.4Å; M127-F131 HydrophobicContact SD-CB 4.43Å; M127-F131 HydrophobicContact SD-CD2 3.85Å; M127-F131 HydrophobicContact SD-CG 4.45Å; F131-A133 PolarHBondContact O-N 3.27Å; F131-A133 VanDerWaalsContact O-N 3.07Å
132H97.7Very high97.5Very high75 Ų7523.6 Ų23.635%0.34711%0.113SC..  trans54.228.4176.8-58-42.2000114.5E103 M127 F128 E129 R364E103-H132 WeakPolarHBondContact CA-O 3.24Å; E103-H132 HydrophobicContact CB-CB 4.01Å; M127-H132 PolarHBondContact O-N 3.25Å; M127-H132 VanDerWaalsContact O-N 3.11Å; F128-H132 VanDerWaalsContact O-CA 3.3Å; F128-H132 WeakPolarHBondContact O-CA 3.43Å; F128-H132 PolarHBondContact O-N 2.85Å; E129-H132 PolarHBondContact O-CE1 3.05Å; E129-H132 PolarHBondContact O-ND1 3.36Å; H132-R364 PolarHBondContact ND1-NH2 2.93Å
133A97.6Very high97.4Very high0 Ų021.2 Ų21.20%010%0.103CC..  trans-54.9135.6-179.300000110.5M107 M127 F128 F131 A135 V136M107-A133 HydrophobicContact CG-CB 3.76Å; M127-A133 HydrophobicContact CB-CB 4.36Å; M127-A133 VanDerWaalsContact O-CB 3.32Å; M127-A133 WeakPolarHBondContact O-CB 3.46Å; M127-A133 PolarHBondContact O-N 2.91Å; F128-A133 WeakPolarHBondContact CD1-O 3.46Å; F131-A133 PolarHBondContact O-N 3.27Å; F131-A133 VanDerWaalsContact O-N 3.07Å; A133-A135 VanDerWaalsContact C-N 3.31Å; A133-A135 PolarHBondContact O-N 3.47Å; A133-V136 HydrophobicContact CB-CG2 4.18Å
134P96.5Very high97.4Very high38 Ų3820.8 Ų20.825%0.24710%0.101CC..SBendtrans-71.8-27.9-178.628.7-33.6000112.1E103 H105 R364E103-P134 WeakPolarHBondContact O-CD 3.46Å; H105-P134 WeakPolarHBondContact O-CD 3.24Å; P134-R364 PolarHBondContact O-N 3.4Å
135A96.9Very high97.4Very high0 Ų020.8 Ų20.80%010%0.101CC..EExtended strand (participates in β ladder)trans-155.2151.3176.200000111.2L3 F5 P106 M107 A133 W361 V362L3-A135 HydrophobicContact CD1-CB 4.5Å; F5-A135 HydrophobicContact CZ-CB 3.81Å; P106-A135 CarbonylContact C-O 3.58Å; P106-A135 WeakPolarHBondContact CA-O 3.3Å; P106-A135 HydrophobicContact CB-CB 4.3Å; M107-A135 PolarHBondContact N-O 3.11Å; A133-A135 VanDerWaalsContact C-N 3.31Å; A133-A135 PolarHBondContact O-N 3.47Å; A135-W361 HydrophobicContact CB-CB 3.98Å; A135-W361 HydrophobicContact CB-CD2 4.42Å; A135-W361 HydrophobicContact CB-CE3 4.23Å; A135-W361 HydrophobicContact CB-CG 4.35Å; A135-V362 CarbonylContact C-O 3.48Å; A135-V362 WeakPolarHBondContact CA-O 3.39Å; A135-V362 WeakPolarHBondContact CB-O 3.11Å
136V97.6Very high97.3Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-132.8142.6-179.1174.40000109.7M107 L109 A124 M127 F128 A133 I138 V362M107-V136 HydrophobicContact CB-CG2 4.38Å; M107-V136 WeakPolarHBondContact O-CA 3.49Å; L109-V136 HydrophobicContact CD1-CG1 3.69Å; A124-V136 HydrophobicContact CB-CG1 4.32Å; M127-V136 HydrophobicContact CB-CG2 3.69Å; F128-V136 HydrophobicContact CD1-CG2 4.24Å; F128-V136 HydrophobicContact CD2-CG2 4.18Å; F128-V136 HydrophobicContact CE1-CB 4.31Å; F128-V136 HydrophobicContact CE1-CG2 3.82Å; F128-V136 HydrophobicContact CE2-CB 3.81Å; F128-V136 HydrophobicContact CE2-CG2 3.76Å; F128-V136 HydrophobicContact CG-CG2 4.4Å; F128-V136 HydrophobicContact CZ-CB 3.61Å; F128-V136 HydrophobicContact CZ-CG2 3.56Å; A133-V136 HydrophobicContact CB-CG2 4.18Å; V136-I138 HydrophobicContact CG1-CD1 4.41Å; V136-I138 HydrophobicContact CG1-CG1 4.09Å; V136-V362 PolarHBondContact N-O 3.41Å; V136-V362 WeakPolarHBondContact O-CB 3.34Å; V136-V362 PolarHBondContact O-N 3.34Å
137Y97.6Very high97.2Very high18 Ų1821.3 Ų21.37%0.07110%0.101CC..EExtended strand (participates in β ladder)trans-136.8140.1165.3-172.7-97.1000109.4M107 L108 L109 L351 F357 M360 K378 C379M107-Y137 PolarHBondContact O-N 3.2Å; L108-Y137 CarbonylContact C-O 3.54Å; L108-Y137 WeakPolarHBondContact CA-O 3.35Å; L108-Y137 HydrophobicContact CD1-CD1 4.25Å; L108-Y137 HydrophobicContact CG-CD1 4.28Å; L109-Y137 PolarHBondContact N-O 3.34Å; Y137-L351 HydrophobicContact CE1-CD2 4.3Å; Y137-F357 HydrophobicContact CD1-CE2 4.09Å; Y137-F357 AromaticContact CD1-CZ 3.46Å; Y137-F357 HydrophobicContact CD1-CZ 3.46Å; Y137-F357 VanDerWaalsContact CD1-CZ 3.46Å; Y137-F357 HydrophobicContact CD2-CE2 4.26Å; Y137-F357 AromaticContact CD2-CZ 3.87Å; Y137-F357 HydrophobicContact CD2-CZ 3.87Å; Y137-F357 AromaticContact CE1-CE2 3.85Å; Y137-F357 HydrophobicContact CE1-CE2 3.85Å; Y137-F357 AromaticContact CE1-CZ 3.71Å; Y137-F357 HydrophobicContact CE1-CZ 3.71Å; Y137-F357 HydrophobicContact CE2-CE2 4.09Å; Y137-F357 HydrophobicContact CE2-CZ 4.15Å; Y137-F357 HydrophobicContact CG-CE1 4.4Å; Y137-F357 HydrophobicContact CG-CE2 4.25Å; Y137-F357 AromaticContact CG-CZ 3.51Å; Y137-F357 HydrophobicContact CG-CZ 3.51Å; Y137-F357 AromaticContact CZ-CE2 3.87Å; Y137-M360 HydrophobicContact CD2-CB 4.37Å; Y137-M360 WeakPolarHBondContact CD2-O 3.39Å; Y137-M360 HydrophobicContact CE2-CB 4.1Å; Y137-M360 HydrophobicContact CE2-CE 4.41Å; Y137-K378 WeakPolarHBondContact CE2-O 3.49Å; Y137-C379 HydrophobicContact CE2-CB 4.4Å
138I97.6Very high97.1Very high2 Ų222.8 Ų22.81%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-121.4124.8179.6-59.8167.9000108.2L109 E111 R120 M123 A124 V136 L375 C379L109-I138 HydrophobicContact CB-CG1 4.34Å; L109-I138 HydrophobicContact CD1-CG1 4.3Å; L109-I138 WeakPolarHBondContact O-CA 3.4Å; E111-I138 HydrophobicContact CB-CG2 4.19Å; E111-I138 HydrophobicContact CG-CG2 3.74Å; R120-I138 HydrophobicContact CG-CB 4.27Å; R120-I138 HydrophobicContact CG-CD1 3.59Å; R120-I138 HydrophobicContact CG-CG2 4.09Å; R120-I138 VanDerWaalsContact O-CD1 3.25Å; R120-I138 WeakPolarHBondContact O-CD1 3.18Å; M123-I138 HydrophobicContact CB-CD1 4.1Å; M123-I138 HydrophobicContact CE-CD1 4.14Å; M123-I138 HydrophobicContact CE-CG2 3.81Å; A124-I138 HydrophobicContact CB-CD1 4.18Å; V136-I138 HydrophobicContact CG1-CD1 4.41Å; V136-I138 HydrophobicContact CG1-CG1 4.09Å; I138-L375 HydrophobicContact CD1-CD2 4.46Å; I138-C379 HydrophobicContact CB-CB 4.49Å; I138-C379 WeakPolarHBondContact O-CB 3.48Å
139S96.4Very high96.8Very high4 Ų424.5 Ų24.53%0.02813%0.126CC..EExtended strand (participates in β ladder)trans-126.2148-177.2-159.70000112.7L109 T110 E111 Q141 L144L109-S139 PolarHBondContact O-N 3.13Å; T110-S139 CarbonylContact C-O 3.41Å; T110-S139 WeakPolarHBondContact CA-O 3.28Å; E111-S139 PolarHBondContact N-O 2.95Å; S139-Q141 PolarHBondContact O-N 2.88Å; S139-L144 WeakPolarHBondContact OG-CD2 3.44Å
140I96.2Very high96.6Very high16 Ų1623.9 Ų23.98%0.08214%0.143CC..EExtended strand (participates in β ladder)trans-69.9130.1174.8-61.1171.1000109.1E111 P113 A142 I143 L144 V174E111-I140 HydrophobicContact CG-CG1 4.39Å; E111-I140 WeakPolarHBondContact O-CA 3.29Å; P113-I140 HydrophobicContact CB-CG2 4.27Å; I140-A142 HydrophobicContact CG2-CB 4.18Å; I140-A142 PolarHBondContact O-N 3.21Å; I140-I143 HydrophobicContact CB-CD1 4.18Å; I140-I143 HydrophobicContact CB-CG1 4.34Å; I140-I143 HydrophobicContact CD1-CD1 4.44Å; I140-I143 WeakPolarHBondContact O-CB 3.39Å; I140-I143 PolarHBondContact O-N 3.24Å; I140-L144 PolarHBondContact O-N 3.48Å; I140-V174 HydrophobicContact CD1-CG2 4.02Å
141Q96.8Very high96.5Very high12 Ų1223 Ų236%0.05613%0.134CC..Hα-helixtrans-51.9-34.1-177.5-70.8176.6-30.900113.9D15 N16 T110 E111 S139 L144 S145 V344D15-Q141 PolarHBondContact OD1-NE2 3.11Å; N16-Q141 PolarHBondContact O-NE2 3.36Å; T110-Q141 PolarHBondContact OG1-NE2 2.85Å; E111-Q141 WeakPolarHBondContact O-CG 3.48Å; E111-Q141 PolarHBondContact O-N 3.25Å; S139-Q141 PolarHBondContact O-N 2.88Å; Q141-L144 PolarHBondContact O-N 3.42Å; Q141-S145 WeakPolarHBondContact O-CB 3.44Å; Q141-S145 PolarHBondContact O-N 3.06Å; Q141-S145 PolarHBondContact O-OG 3.26Å; Q141-V344 HydrophobicContact CB-CG1 3.87Å; Q141-V344 HydrophobicContact CB-CG2 3.91Å; Q141-V344 HydrophobicContact CG-CG1 3.7Å; Q141-V344 HydrophobicContact CG-CG2 4.39Å
142A96.5Very high96.4Very high2 Ų225.9 Ų25.92%0.01715%0.153CC..Hα-helixtrans-66.4-43176.800000113.4I140 L144 S145 L146 V156 V167I140-A142 HydrophobicContact CG2-CB 4.18Å; I140-A142 PolarHBondContact O-N 3.21Å; A142-L144 VanDerWaalsContact C-N 3.31Å; A142-L144 PolarHBondContact O-N 3.28Å; A142-S145 PolarHBondContact O-N 3.07Å; A142-L146 PolarHBondContact O-N 3.06Å; A142-V156 HydrophobicContact CB-CB 3.91Å; A142-V156 HydrophobicContact CB-CG1 4.09Å; A142-V156 HydrophobicContact CB-CG2 4.12Å; A142-V156 WeakPolarHBondContact O-CG2 3.45Å; A142-V167 HydrophobicContact CB-CB 3.5Å; A142-V167 VanDerWaalsContact CB-CB 3.5Å; A142-V167 HydrophobicContact CB-CG1 3.64Å; A142-V167 HydrophobicContact CB-CG2 3.78Å
143I96.4Very high96.4Very high12 Ų1223 Ų236%0.06214%0.141CC..Hα-helixtrans-60.7-45.9176.9-67.4174000109.3I140 S145 L146 Y147 V169 V174I140-I143 HydrophobicContact CB-CD1 4.18Å; I140-I143 HydrophobicContact CB-CG1 4.34Å; I140-I143 HydrophobicContact CD1-CD1 4.44Å; I140-I143 WeakPolarHBondContact O-CB 3.39Å; I140-I143 PolarHBondContact O-N 3.24Å; I143-S145 PolarHBondContact O-N 3.18Å; I143-L146 WeakPolarHBondContact O-CB 3.47Å; I143-L146 PolarHBondContact O-N 2.75Å; I143-L146 VanDerWaalsContact O-N 3.16Å; I143-Y147 HydrophobicContact CG2-CD2 3.86Å; I143-Y147 HydrophobicContact CG2-CE2 3.54Å; I143-Y147 VanDerWaalsContact O-CD2 3.29Å; I143-Y147 WeakPolarHBondContact O-CD2 3.19Å; I143-Y147 PolarHBondContact O-N 2.85Å; I143-V169 HydrophobicContact CG1-CG1 4.44Å; I143-V174 HydrophobicContact CD1-CG2 3.89Å; I143-V174 HydrophobicContact CG1-CG2 3.87Å
144L97.1Very high96.4Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-62.2-42.9177.4-58.7-176000111.9L108 T110 S139 I140 Q141 A142 L146 Y147 A148 V344 G347 L351L108-L144 HydrophobicContact CD2-CD1 3.92Å; T110-L144 HydrophobicContact CG2-CD1 3.54Å; S139-L144 WeakPolarHBondContact OG-CD2 3.44Å; I140-L144 PolarHBondContact O-N 3.48Å; Q141-L144 PolarHBondContact O-N 3.42Å; A142-L144 VanDerWaalsContact C-N 3.31Å; A142-L144 PolarHBondContact O-N 3.28Å; L144-L146 PolarHBondContact O-N 3.3Å; L144-L146 VanDerWaalsContact O-N 3.14Å; L144-Y147 WeakPolarHBondContact O-CA 3.45Å; L144-Y147 WeakPolarHBondContact O-CB 3.41Å; L144-Y147 PolarHBondContact O-N 3.4Å; L144-A148 PolarHBondContact O-N 2.81Å; L144-V344 HydrophobicContact CB-CG1 4.47Å; L144-V344 WeakPolarHBondContact CB-O 3.34Å; L144-V344 HydrophobicContact CD1-CG1 4.26Å; L144-G347 WeakPolarHBondContact O-CA 3.33Å; L144-L351 HydrophobicContact CD2-CB 4.4Å; L144-L351 HydrophobicContact CD2-CD2 3.61Å
145S97Very high96.5Very high0 Ų021.2 Ų21.20%013%0.129CC..Hα-helixtrans-58.3-30.2177.1-62.70000113.3Q141 A142 I143 T305 V344Q141-S145 WeakPolarHBondContact O-CB 3.44Å; Q141-S145 PolarHBondContact O-N 3.06Å; Q141-S145 PolarHBondContact O-OG 3.26Å; A142-S145 PolarHBondContact O-N 3.07Å; I143-S145 PolarHBondContact O-N 3.18Å; S145-T305 WeakPolarHBondContact OG-CG2 3.35Å; S145-T305 PolarHBondContact OG-OG1 3.41Å; S145-V344 VanDerWaalsContact OG-CG2 3.25Å; S145-V344 WeakPolarHBondContact OG-CG2 3.5Å
146L96.8Very high96.6Very high3 Ų321.2 Ų21.22%0.01613%0.129CC..Hα-helixtrans-70.6-44.8172.7-77.6155.5000112.1A142 I143 L144 A148 S149 G150 R151 T153 V156 V169 I303A142-L146 PolarHBondContact O-N 3.06Å; I143-L146 WeakPolarHBondContact O-CB 3.47Å; I143-L146 PolarHBondContact O-N 2.75Å; I143-L146 VanDerWaalsContact O-N 3.16Å; L144-L146 PolarHBondContact O-N 3.3Å; L144-L146 VanDerWaalsContact O-N 3.14Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 2.91Å; L146-S149 CarbonylContact O-C 3.49Å; L146-S149 WeakPolarHBondContact O-CA 3.43Å; L146-S149 PolarHBondContact O-N 3.27Å; L146-S149 PolarHBondContact O-OG 3.25Å; L146-G150 PolarHBondContact O-N 3.43Å; L146-R151 CarbonylContact C-O 3.52Å; L146-R151 VanDerWaalsContact C-O 3.25Å; L146-R151 WeakPolarHBondContact CB-O 3.25Å; L146-R151 HydrophobicContact CD2-CB 3.94Å; L146-R151 PolarHBondContact O-N 2.88Å; L146-T153 WeakPolarHBondContact CD2-O 3.49Å; L146-V156 HydrophobicContact CD1-CG2 3.8Å; L146-V156 HydrophobicContact CD2-CG2 4.3Å; L146-V156 HydrophobicContact CG-CG2 3.68Å; L146-V169 HydrophobicContact CD1-CB 3.33Å; L146-V169 HydrophobicContact CD1-CG1 3.66Å; L146-V169 HydrophobicContact CD1-CG2 3.46Å; L146-V169 VanDerWaalsContact CD1-CG2 3.46Å; L146-I303 HydrophobicContact CD2-CD1 3.23Å; L146-I303 HydrophobicContact CG-CD1 4.13Å
147Y95.5Very high96.6Very high62 Ų6221.2 Ų21.224%0.24313%0.129CC..Hα-helixtrans-58.2-40.1175.9-80.8-68.2000112.6I143 L144 S149 G150 L351I143-Y147 HydrophobicContact CG2-CD2 3.86Å; I143-Y147 HydrophobicContact CG2-CE2 3.54Å; I143-Y147 VanDerWaalsContact O-CD2 3.29Å; I143-Y147 WeakPolarHBondContact O-CD2 3.19Å; I143-Y147 PolarHBondContact O-N 2.85Å; L144-Y147 WeakPolarHBondContact O-CA 3.45Å; L144-Y147 WeakPolarHBondContact O-CB 3.41Å; L144-Y147 PolarHBondContact O-N 3.4Å; Y147-S149 PolarHBondContact O-N 2.73Å; Y147-S149 VanDerWaalsContact O-N 3.1Å; Y147-G150 PolarHBondContact O-N 2.97Å; Y147-L351 HydrophobicContact CD2-CD1 4.39Å; Y147-L351 HydrophobicContact CD2-CD2 4.37Å; Y147-L351 HydrophobicContact CE1-CD1 4.17Å; Y147-L351 HydrophobicContact CE2-CD1 3.95Å; Y147-L351 HydrophobicContact CE2-CD2 4.2Å
148A95.8Very high96.7Very high30 Ų3020.8 Ų20.825%0.24813%0.128CC..THydrogen-bonded Turntrans-57.8-26.8174.700000113.1L144 L146 S343 I346L144-A148 PolarHBondContact O-N 2.81Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 2.91Å; A148-S343 WeakPolarHBondContact CB-O 3.42Å; A148-I346 HydrophobicContact CB-CB 4.06Å; A148-I346 HydrophobicContact CB-CG2 3.86Å
149S93.6Very high96.7Very high38 Ų3820.7 Ų20.727%0.26613%0.128SC..THydrogen-bonded Turntrans-99.34.1-179.5880000113.4L146 Y147 R151L146-S149 CarbonylContact O-C 3.49Å; L146-S149 WeakPolarHBondContact O-CA 3.43Å; L146-S149 PolarHBondContact O-N 3.27Å; L146-S149 PolarHBondContact O-OG 3.25Å; Y147-S149 PolarHBondContact O-N 2.73Å; Y147-S149 VanDerWaalsContact O-N 3.1Å; S149-R151 PolarHBondContact O-NH1 2.82Å; S149-R151 WeakPolarHBondContact OG-CD 3.34Å; S149-R151 WeakPolarHBondContact OG-CG 3.45Å; S149-R151 PolarHBondContact OG-NH1 3.21Å
150G94.2Very high96.7Very high74 Ų7421.6 Ų21.676%0.76314%0.137SC*.THydrogen-bonded Turntrans68.233.2-17700000113.7L146 Y147L146-G150 PolarHBondContact O-N 3.43Å; Y147-G150 PolarHBondContact O-N 2.97Å
151R95.5Very high96.7Very high89 Ų8922.4 Ų22.434%0.33614%0.141SC..  trans-126.2154.2-176.1-64.8179178.980.87.5111.2L146 S149 N301 M335L146-R151 CarbonylContact C-O 3.52Å; L146-R151 VanDerWaalsContact C-O 3.25Å; L146-R151 WeakPolarHBondContact CB-O 3.25Å; L146-R151 HydrophobicContact CD2-CB 3.94Å; L146-R151 PolarHBondContact O-N 2.88Å; S149-R151 PolarHBondContact O-NH1 2.82Å; S149-R151 WeakPolarHBondContact OG-CD 3.34Å; S149-R151 WeakPolarHBondContact OG-CG 3.45Å; S149-R151 PolarHBondContact OG-NH1 3.21Å; R151-N301 VanDerWaalsContact CD-OD1 3.3Å; R151-N301 WeakPolarHBondContact CD-OD1 3.47Å; R151-M335 PolarHBondContact NH2-SD 2.8Å
152T95Very high96.7Very high68 Ų6821.9 Ų21.942%0.41714%0.139SC..SBendtrans-114.3-17.5171.554.10000112.5D171 A172T152-D171 PolarHBondContact O-N 3.01Å; T152-A172 PolarHBondContact O-N 3.47Å
153T97.4Very high96.7Very high15 Ų1522 Ų229%0.09214%0.14CC..SBendtrans-119.9142.3178.5-68.40000109.3L146 V169 F170 D171 S297 F298 N301L146-T153 WeakPolarHBondContact CD2-O 3.49Å; T153-V169 CarbonylContact C-O 3.5Å; T153-V169 VanDerWaalsContact CA-O 3.24Å; T153-V169 WeakPolarHBondContact CA-O 2.81Å; T153-F170 HydrophobicContact CG2-CD2 3.65Å; T153-F170 HydrophobicContact CG2-CE2 4.17Å; T153-F170 HydrophobicContact CG2-CG 4.47Å; T153-D171 PolarHBondContact OG1-N 3.42Å; T153-D171 PolarHBondContact OG1-OD1 2.97Å; T153-S297 VanDerWaalsContact CG2-OG 3.3Å; T153-S297 WeakPolarHBondContact CG2-OG 3.35Å; T153-F298 HydrophobicContact CG2-CE1 4.4Å; T153-N301 PolarHBondContact O-ND2 2.92Å
154G98.2Very high96.8Very high0 Ų021.5 Ų21.50%014%0.137CC..EExtended strand (participates in β ladder)trans161162.7174.400000112.6V169 F298 N301G154-V169 PolarHBondContact N-O 3.19Å; G154-V169 PolarHBondContact O-N 2.85Å; G154-F298 WeakPolarHBondContact O-CE1 3.4Å; G154-N301 CarbonylContact C-O 3.56Å; G154-N301 VanDerWaalsContact CA-O 3.29Å; G154-N301 WeakPolarHBondContact CA-O 3.48Å
155L98.7Very high96.8Very high0 Ų021.7 Ų21.70%014%0.138CC..EExtended strand (participates in β ladder)trans-95.2111.9169170.955.5000108.3L166 P168 T283 T286 I287 F298 N301 I302 I303L155-L166 HydrophobicContact CD1-CB 4.31Å; L155-L166 HydrophobicContact CD1-CD2 4.32Å; L155-L166 HydrophobicContact CD2-CD2 4.49Å; L155-L166 HydrophobicContact CG-CD2 4.5Å; L155-P168 HydrophobicContact CD1-CB 4.31Å; L155-T283 HydrophobicContact CD2-CG2 3.7Å; L155-T286 HydrophobicContact CD1-CG2 3.54Å; L155-T286 HydrophobicContact CD2-CG2 4.16Å; L155-I287 HydrophobicContact CD2-CD1 3.95Å; L155-I287 HydrophobicContact CD2-CG1 3.57Å; L155-F298 HydrophobicContact CB-CB 4.31Å; L155-F298 HydrophobicContact CB-CD1 4.09Å; L155-F298 HydrophobicContact CB-CG 4.43Å; L155-N301 PolarHBondContact N-O 2.93Å; L155-I302 CarbonylContact O-C 3.54Å; L155-I302 WeakPolarHBondContact O-CA 3.44Å; L155-I303 PolarHBondContact O-N 3.48Å
156V98.6Very high96.9Very high0 Ų021.7 Ų21.70%014%0.138CC..EExtended strand (participates in β ladder)trans-88.8120.9177.7-175.80000109.5A142 L146 D158 L166 V167 T305A142-V156 HydrophobicContact CB-CB 3.91Å; A142-V156 HydrophobicContact CB-CG1 4.09Å; A142-V156 HydrophobicContact CB-CG2 4.12Å; A142-V156 WeakPolarHBondContact O-CG2 3.45Å; L146-V156 HydrophobicContact CD1-CG2 3.8Å; L146-V156 HydrophobicContact CD2-CG2 4.3Å; L146-V156 HydrophobicContact CG-CG2 3.68Å; V156-D158 HydrophobicContact CG1-CB 4.44Å; V156-L166 CarbonylContact O-C 3.58Å; V156-L166 WeakPolarHBondContact O-CA 3.33Å; V156-V167 PolarHBondContact N-O 2.9Å; V156-V167 PolarHBondContact O-N 3.3Å; V156-T305 HydrophobicContact CG1-CG2 3.45Å; V156-T305 VanDerWaalsContact CG1-CG2 3.45Å
157L98.7Very high97Very high0 Ų021.6 Ų21.60%014%0.137CC..EExtended strand (participates in β ladder)trans-10198.5166.7-172.4171000107.1C159 T164 H165 L166 I279 I303 L304 T305 T309 F314 L318L157-C159 HydrophobicContact CD2-CB 4.28Å; L157-T164 HydrophobicContact CD2-CG2 4.41Å; L157-H165 WeakPolarHBondContact CA-O 3.43Å; L157-L166 HydrophobicContact CB-CD2 3.8Å; L157-L166 HydrophobicContact CD1-CD2 4.06Å; L157-L166 HydrophobicContact CG-CD2 3.75Å; L157-I279 HydrophobicContact CD1-CD1 4.3Å; L157-I279 HydrophobicContact CD1-CG1 3.68Å; L157-I279 HydrophobicContact CD2-CG1 4.38Å; L157-I279 HydrophobicContact CG-CD1 4.35Å; L157-I279 HydrophobicContact CG-CG1 4.2Å; L157-I303 PolarHBondContact N-O 3.42Å; L157-L304 HydrophobicContact CB-CD2 3.83Å; L157-L304 HydrophobicContact CD1-CD2 3.86Å; L157-L304 HydrophobicContact CD2-CD2 4.25Å; L157-L304 HydrophobicContact CG-CD2 4.21Å; L157-T305 PolarHBondContact O-N 3.13Å; L157-T309 HydrophobicContact CD2-CG2 3.76Å; L157-F314 HydrophobicContact CD2-CZ 4.38Å; L157-L318 HydrophobicContact CD1-CD2 3.63Å
158D98.2Very high97.1Very high10 Ų1018.6 Ų18.65%0.05313%0.126CC..EExtended strand (participates in β ladder)trans-97.2119.3174.4-176.412.1000110V156 T164 H165 T305V156-D158 HydrophobicContact CG1-CB 4.44Å; D158-T164 CarbonylContact O-C 3.49Å; D158-T164 WeakPolarHBondContact O-CA 3.22Å; D158-T164 WeakPolarHBondContact O-CG2 3.4Å; D158-H165 HydrophobicContact CB-CB 4.46Å; D158-H165 PolarHBondContact N-O 3.23Å; D158-H165 PolarHBondContact O-N 3.42Å; D158-T305 VanDerWaalsContact CA-CG2 3.41Å; D158-T305 WeakPolarHBondContact CA-O 3.11Å; D158-T305 HydrophobicContact CB-CG2 3.38Å
159C98.3Very high97.2Very high0 Ų017.2 Ų17.20%011%0.114CC..EExtended strand (participates in β ladder)trans-119.5101.2173.7-174.40000109.7L157 T164 M266 T305 G306 G307 G308 T309L157-C159 HydrophobicContact CD2-CB 4.28Å; C159-T164 HydrophobicContact CB-CG2 4.15Å; C159-T164 PolarHBondContact SG-OG1 3.4Å; C159-M266 WeakPolarHBondContact SG-CE 3.34Å; C159-T305 PolarHBondContact N-O 2.92Å; C159-G306 CarbonylContact O-C 3.58Å; C159-G306 WeakPolarHBondContact O-CA 3.29Å; C159-G307 PolarHBondContact O-N 2.74Å; C159-G308 WeakPolarHBondContact O-CA 3.47Å; C159-G308 PolarHBondContact O-N 3.48Å; C159-T309 HydrophobicContact CB-CG2 3.77Å
160G96.9Very high97.4Very high23 Ų2319 Ų1924%0.23712%0.117CC..  trans-88.2-157.1176.700000113.3A163 A185 G186G160-A163 PolarHBondContact N-O 2.55Å; G160-A185 WeakPolarHBondContact O-CB 3.36Å; G160-G186 PolarHBondContact O-N 3.26Å
161E96.4Very high97.4Very high33 Ų3319.8 Ų19.815%0.15410%0.104CC..SBendtrans-81.2-37.9173.6179.960.1-164.200112.1A185 G186 R187 K217E161-A185 WeakPolarHBondContact O-CB 3.3Å; E161-G186 PolarHBondContact O-N 2.89Å; E161-G186 WeakPolarHBondContact OE2-CA 3.46Å; E161-R187 HydrophobicContact CG-CB 4.44Å; E161-R187 VanDerWaalsContact O-CB 3.24Å; E161-R187 WeakPolarHBondContact O-CB 3.46Å; E161-R187 PolarHBondContact O-N 2.63Å; E161-R187 VanDerWaalsContact OE1-CA 3.24Å; E161-R187 WeakPolarHBondContact OE1-CA 3.36Å; E161-R187 WeakPolarHBondContact OE1-CB 3.36Å; E161-R187 PolarHBondContact OE1-N 3.39Å; E161-K217 IonicContact OE2-NZ 3.45Å; E161-K217 PolarHBondContact OE2-NZ 3.17Å
162G95.7Very high97.2Very high1 Ų117 Ų171%0.0110%0.1CC..SBendtrans-108.1-16.9-174.600000115.9N77N77-G162 WeakPolarHBondContact CA-O 3.16Å; N77-G162 WeakPolarHBondContact CB-O 3.43Å; N77-G162 VanDerWaalsContact CG-O 3.25Å; N77-G162 PolarHBondContact OD1-O 3.37Å
163A96.8Very high97.1Very high5 Ų522.2 Ų22.24%0.04111%0.114CC..  trans-153.4154.2-179.100000111.5G160 R182 A185G160-A163 PolarHBondContact N-O 2.55Å; A163-R182 WeakPolarHBondContact CA-O 2.88Å; A163-A185 VanDerWaalsContact N-CB 3.27Å
164T98.1Very high97Very high0 Ų022.7 Ų22.70%012%0.116CC..EExtended strand (participates in β ladder)trans-115.3130.5169.1-58.70000109.2L157 D158 C159 R182 L184 I279L157-T164 HydrophobicContact CD2-CG2 4.41Å; D158-T164 CarbonylContact O-C 3.49Å; D158-T164 WeakPolarHBondContact O-CA 3.22Å; D158-T164 WeakPolarHBondContact O-CG2 3.4Å; C159-T164 HydrophobicContact CB-CG2 4.15Å; C159-T164 PolarHBondContact SG-OG1 3.4Å; T164-R182 PolarHBondContact N-O 3.2Å; T164-R182 PolarHBondContact O-N 2.96Å; T164-L184 WeakPolarHBondContact CB-O 3.47Å; T164-L184 PolarHBondContact OG1-O 3.04Å; T164-I279 HydrophobicContact CG2-CD1 3.53Å
165H98Very high96.9Very high4 Ų424.7 Ų24.72%0.01913%0.126CC..EExtended strand (participates in β ladder)trans-121.7133.7179.6-54.8104.9000110.5P113 L157 D158 V167 H180P113-H165 HydrophobicContact CG-CB 3.8Å; P113-H165 VanDerWaalsContact CG-CD2 3.4Å; P113-H165 WeakPolarHBondContact CG-CD2 3.34Å; L157-H165 WeakPolarHBondContact CA-O 3.43Å; D158-H165 HydrophobicContact CB-CB 4.46Å; D158-H165 PolarHBondContact N-O 3.23Å; D158-H165 PolarHBondContact O-N 3.42Å; H165-V167 HydrophobicContact CB-CG2 3.9Å; H165-H180 WeakPolarHBondContact CA-O 3.43Å
166L98.6Very high96.7Very high0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-109.9108.9166.5-73.8156.1000107.3L155 V156 L157 I179 H180 I279 A282 T283 T286L155-L166 HydrophobicContact CD1-CB 4.31Å; L155-L166 HydrophobicContact CD1-CD2 4.32Å; L155-L166 HydrophobicContact CD2-CD2 4.49Å; L155-L166 HydrophobicContact CG-CD2 4.5Å; V156-L166 CarbonylContact O-C 3.58Å; V156-L166 WeakPolarHBondContact O-CA 3.33Å; L157-L166 HydrophobicContact CB-CD2 3.8Å; L157-L166 HydrophobicContact CD1-CD2 4.06Å; L157-L166 HydrophobicContact CG-CD2 3.75Å; L166-I179 WeakPolarHBondContact O-CA 3.49Å; L166-H180 HydrophobicContact CB-CB 4.19Å; L166-H180 HydrophobicContact CD1-CB 4.31Å; L166-H180 PolarHBondContact N-O 2.88Å; L166-H180 PolarHBondContact O-N 3.24Å; L166-H180 VanDerWaalsContact O-N 3.07Å; L166-I279 HydrophobicContact CD1-CD1 4.09Å; L166-I279 HydrophobicContact CG-CD1 4.46Å; L166-A282 VanDerWaalsContact CD1-C 3.44Å; L166-A282 HydrophobicContact CD1-CB 3.56Å; L166-T283 HydrophobicContact CD2-CG2 4.34Å; L166-T283 WeakPolarHBondContact CD2-OG1 3.4Å; L166-T286 HydrophobicContact CB-CG2 4.17Å; L166-T286 WeakPolarHBondContact CB-OG1 3.32Å
167V98.4Very high96.6Very high1 Ų134.9 Ų34.91%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-121.7103.3-171.9-170.60000109.2P113 A142 V156 H165 V169 V174 I179P113-V167 HydrophobicContact CB-CG2 4.01Å; P113-V167 HydrophobicContact CG-CG2 3.66Å; A142-V167 HydrophobicContact CB-CB 3.5Å; A142-V167 VanDerWaalsContact CB-CB 3.5Å; A142-V167 HydrophobicContact CB-CG1 3.64Å; A142-V167 HydrophobicContact CB-CG2 3.78Å; V156-V167 PolarHBondContact N-O 2.9Å; V156-V167 PolarHBondContact O-N 3.3Å; H165-V167 HydrophobicContact CB-CG2 3.9Å; V167-V169 HydrophobicContact CG1-CG2 4.07Å; V167-V174 HydrophobicContact CG1-CB 4.44Å; V167-V174 HydrophobicContact CG1-CG1 3.62Å; V167-V174 HydrophobicContact CG1-CG2 4Å; V167-I179 HydrophobicContact CG1-CG1 4.42Å; V167-I179 HydrophobicContact CG2-CG2 4.45Å
168P98.5Very high96.5Very high0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans-75.4124.3171.526.3-27.2000110L155 I175 A178 T286 C290 F298L155-P168 HydrophobicContact CD1-CB 4.31Å; P168-I175 HydrophobicContact CB-CD1 4.34Å; P168-I175 HydrophobicContact CG-CB 4.11Å; P168-I175 PolarHBondContact O-N 2.94Å; P168-A178 HydrophobicContact CG-CB 3.6Å; P168-T286 HydrophobicContact CB-CG2 4.41Å; P168-T286 HydrophobicContact CG-CG2 3.91Å; P168-C290 VanDerWaalsContact CB-SG 3.57Å; P168-F298 HydrophobicContact CB-CE1 4.04Å; P168-F298 HydrophobicContact CB-CE2 3.9Å; P168-F298 HydrophobicContact CB-CZ 3.64Å
169V98Very high96.5Very high1 Ų135.5 Ų35.51%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-122.5127.9177.9-1720000108.8I143 L146 T153 G154 V167 Y173 V174 F298I143-V169 HydrophobicContact CG1-CG1 4.44Å; L146-V169 HydrophobicContact CD1-CB 3.33Å; L146-V169 HydrophobicContact CD1-CG1 3.66Å; L146-V169 HydrophobicContact CD1-CG2 3.46Å; L146-V169 VanDerWaalsContact CD1-CG2 3.46Å; T153-V169 CarbonylContact C-O 3.5Å; T153-V169 VanDerWaalsContact CA-O 3.24Å; T153-V169 WeakPolarHBondContact CA-O 2.81Å; G154-V169 PolarHBondContact N-O 3.19Å; G154-V169 PolarHBondContact O-N 2.85Å; V167-V169 HydrophobicContact CG1-CG2 4.07Å; V169-Y173 CarbonylContact C-O 3.15Å; V169-Y173 VanDerWaalsContact CA-O 3.31Å; V169-Y173 WeakPolarHBondContact CA-O 3.17Å; V169-V174 HydrophobicContact CG2-CG2 4.04Å; V169-F298 VanDerWaalsContact O-CE1 3.31Å; V169-F298 WeakPolarHBondContact O-CE1 3.46Å
170F96.5Very high96.4Very high75 Ų7538.2 Ų38.233%0.32921%0.206SC..EExtended strand (participates in β ladder)trans-125.8122.2177.6-171.6-92.2000109.2T153 A172 Y173 I175 V294 F298T153-F170 HydrophobicContact CG2-CD2 3.65Å; T153-F170 HydrophobicContact CG2-CE2 4.17Å; T153-F170 HydrophobicContact CG2-CG 4.47Å; F170-A172 VanDerWaalsContact C-N 3.27Å; F170-A172 PolarHBondContact O-N 2.78Å; F170-Y173 PolarHBondContact N-O 3.13Å; F170-Y173 WeakPolarHBondContact O-CB 3.49Å; F170-Y173 PolarHBondContact O-N 2.82Å; F170-I175 HydrophobicContact CB-CD1 4.49Å; F170-V294 HydrophobicContact CD1-CG1 4.38Å; F170-V294 HydrophobicContact CD2-CB 4Å; F170-V294 HydrophobicContact CD2-CG1 3.51Å; F170-V294 HydrophobicContact CE1-CG1 4.41Å; F170-V294 HydrophobicContact CE2-CB 4.24Å; F170-V294 HydrophobicContact CE2-CG1 3.55Å; F170-V294 HydrophobicContact CG-CG1 3.95Å; F170-V294 HydrophobicContact CZ-CG1 4.03Å; F170-F298 HydrophobicContact CB-CZ 4.29Å
171D94.3Very high96.4Very high90 Ų9041 Ų4148%0.48121%0.209SC..THydrogen-bonded Turntrans48.447.6-176.2-67.4-18.6000113.1T152 T153 Y173T152-D171 PolarHBondContact O-N 3.01Å; T153-D171 PolarHBondContact OG1-N 3.42Å; T153-D171 PolarHBondContact OG1-OD1 2.97Å; D171-Y173 WeakPolarHBondContact O-CD2 3.17Å; D171-Y173 PolarHBondContact O-N 3.44Å
172A91.8Very high96.3Very high31 Ų3140.7 Ų40.726%0.25621%0.207SC..THydrogen-bonded Turntrans67.41.3-175.800000115.9T152 F170T152-A172 PolarHBondContact O-N 3.47Å; F170-A172 VanDerWaalsContact C-N 3.27Å; F170-A172 PolarHBondContact O-N 2.78Å
173Y92.9Very high96.2Very high178 Ų17844.2 Ų44.270%0.69823%0.226SC*.EExtended strand (participates in β ladder)trans-95.7125.9173.2-63.5-82.9000111.6V169 F170 D171V169-Y173 CarbonylContact C-O 3.15Å; V169-Y173 VanDerWaalsContact CA-O 3.31Å; V169-Y173 WeakPolarHBondContact CA-O 3.17Å; F170-Y173 PolarHBondContact N-O 3.13Å; F170-Y173 WeakPolarHBondContact O-CB 3.49Å; F170-Y173 PolarHBondContact O-N 2.82Å; D171-Y173 WeakPolarHBondContact O-CD2 3.17Å; D171-Y173 PolarHBondContact O-N 3.44Å
174V95.7Very high96.2Very high25 Ų2544.1 Ų44.115%0.15222%0.224CC..EExtended strand (participates in β ladder)trans-71.2139.5171.3175.90000109.4I140 I143 V167 V169 P176 I179I140-V174 HydrophobicContact CD1-CG2 4.02Å; I143-V174 HydrophobicContact CD1-CG2 3.89Å; I143-V174 HydrophobicContact CG1-CG2 3.87Å; V167-V174 HydrophobicContact CG1-CB 4.44Å; V167-V174 HydrophobicContact CG1-CG1 3.62Å; V167-V174 HydrophobicContact CG1-CG2 4Å; V169-V174 HydrophobicContact CG2-CG2 4.04Å; V174-P176 WeakPolarHBondContact O-CD 3.42Å; V174-I179 HydrophobicContact CG1-CD1 3.54Å; V174-I179 HydrophobicContact CG1-CG1 3.97Å
175I96.3Very high96.2Very high41 Ų4144.1 Ų44.121%0.2122%0.224CC..  trans-93.596.4172.5-51.7175.6000108.5P168 F170 T177 A178 C290 V294 F298P168-I175 HydrophobicContact CB-CD1 4.34Å; P168-I175 HydrophobicContact CG-CB 4.11Å; P168-I175 PolarHBondContact O-N 2.94Å; F170-I175 HydrophobicContact CB-CD1 4.49Å; I175-T177 VanDerWaalsContact C-N 3.34Å; I175-T177 PolarHBondContact O-N 3.31Å; I175-A178 HydrophobicContact CB-CB 4.43Å; I175-A178 HydrophobicContact CG2-CB 4.02Å; I175-A178 PolarHBondContact O-N 3.22Å; I175-A178 VanDerWaalsContact O-N 3.17Å; I175-C290 HydrophobicContact CD1-CB 4.48Å; I175-V294 HydrophobicContact CD1-CG2 4.38Å; I175-F298 HydrophobicContact CD1-CE2 3.92Å; I175-F298 HydrophobicContact CD1-CZ 3.87Å
176P94.5Very high96.2Very high85 Ų8544.1 Ų44.155%0.55223%0.225SC*.G310 helixtrans-67.8-33.8-164.6-21.436.6000113.3V174 A178 I179V174-P176 WeakPolarHBondContact O-CD 3.42Å; P176-A178 PolarHBondContact O-N 2.79Å; P176-I179 HydrophobicContact CB-CD1 4.47Å; P176-I179 PolarHBondContact O-N 3.2Å
177T95.8Very high96Very high129 Ų12947 Ų4779%0.79124%0.236SC*.G310 helixtrans-68.3-16.1179.952.70000113.7I175I175-T177 VanDerWaalsContact C-N 3.34Å; I175-T177 PolarHBondContact O-N 3.31Å
178A97.5Very high96Very high0 Ų048 Ų480%024%0.241CC..G310 helixtrans-105.7-0.8-18000000113.1P168 I175 P176 H180 T286 A289P168-A178 HydrophobicContact CG-CB 3.6Å; I175-A178 HydrophobicContact CB-CB 4.43Å; I175-A178 HydrophobicContact CG2-CB 4.02Å; I175-A178 PolarHBondContact O-N 3.22Å; I175-A178 VanDerWaalsContact O-N 3.17Å; P176-A178 PolarHBondContact O-N 2.79Å; A178-H180 PolarHBondContact O-N 3.17Å; A178-H180 PolarHBondContact O-ND1 3.02Å; A178-T286 WeakPolarHBondContact O-CG2 3.47Å; A178-A289 HydrophobicContact CB-CB 3.8Å
179I97.8Very high96Very high23 Ų2348 Ų4812%0.11824%0.241CC..  trans-66.6127.9177.8-59.8176.2000109.9P113 L114 L166 V167 V174 P176P113-I179 HydrophobicContact CB-CD1 3.96Å; P113-I179 HydrophobicContact CB-CG2 4.09Å; P113-I179 HydrophobicContact CG-CG2 4.31Å; L114-I179 HydrophobicContact CD1-CB 4.48Å; L114-I179 HydrophobicContact CD1-CG2 4.06Å; L114-I179 HydrophobicContact CD2-CD1 4.05Å; L114-I179 HydrophobicContact CG-CD1 4.25Å; L114-I179 HydrophobicContact CG-CG2 4.28Å; L166-I179 WeakPolarHBondContact O-CA 3.49Å; V167-I179 HydrophobicContact CG1-CG1 4.42Å; V167-I179 HydrophobicContact CG2-CG2 4.45Å; V174-I179 HydrophobicContact CG1-CD1 3.54Å; V174-I179 HydrophobicContact CG1-CG1 3.97Å; P176-I179 HydrophobicContact CB-CD1 4.47Å; P176-I179 PolarHBondContact O-N 3.2Å
180H97Very high95.9Very high57 Ų5747.9 Ų47.926%0.26424%0.24SC..EExtended strand (participates in β ladder)trans-109.5115.4167.9-69.367.8000110H165 L166 A178 T286H165-H180 WeakPolarHBondContact CA-O 3.43Å; L166-H180 HydrophobicContact CB-CB 4.19Å; L166-H180 HydrophobicContact CD1-CB 4.31Å; L166-H180 PolarHBondContact N-O 2.88Å; L166-H180 PolarHBondContact O-N 3.24Å; L166-H180 VanDerWaalsContact O-N 3.07Å; A178-H180 PolarHBondContact O-N 3.17Å; A178-H180 PolarHBondContact O-ND1 3.02Å; H180-T286 PolarHBondContact ND1-OG1 3.02Å
181R95.6Very high95.9Very high82 Ų8247.6 Ų47.631%0.30924%0.242SC..EExtended strand (participates in β ladder)trans-101.3133.6171.2175172.1174-175.2-0.6110N77N77-R181 PolarHBondContact O-NH2 3.36Å
182R94.9Very high96Very high26 Ų2644.3 Ų44.310%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-133.8125.2-177.2-56.2174.959.2115.30.2110.1A163 T164 L184 M276 N277 A282A163-R182 WeakPolarHBondContact CA-O 2.88Å; T164-R182 PolarHBondContact N-O 3.2Å; T164-R182 PolarHBondContact O-N 2.96Å; R182-L184 PolarHBondContact O-N 3.16Å; R182-M276 VanDerWaalsContact NH2-CG 3.28Å; R182-M276 PolarHBondContact NH2-SD 2.8Å; R182-N277 PolarHBondContact NH1-O 3.03Å; R182-N277 PolarHBondContact NH2-O 2.92Å; R182-A282 VanDerWaalsContact NH1-CB 3.34Å
183N94.1Very high96.3Very high76 Ų7642.9 Ų42.941%0.40621%0.211SC..SBendtrans-84.451.2172.5-63.2-16.5000110.4
184L96.7Very high96.4Very high2 Ų236 Ų361%0.0119%0.185CC..  trans-135.2106.8173.6178.474.5000106.7T164 R182 E188 L265 M266 P269 Y274 M276T164-L184 WeakPolarHBondContact CB-O 3.47Å; T164-L184 PolarHBondContact OG1-O 3.04Å; R182-L184 PolarHBondContact O-N 3.16Å; L184-E188 HydrophobicContact CD1-CB 3.58Å; L184-E188 HydrophobicContact CD1-CG 4.03Å; L184-L265 HydrophobicContact CD1-CD2 3.67Å; L184-L265 HydrophobicContact CD1-CG 3.81Å; L184-M266 HydrophobicContact CG-SD 4.33Å; L184-P269 HydrophobicContact CD2-CB 3.8Å; L184-P269 HydrophobicContact CD2-CG 3.6Å; L184-Y274 HydrophobicContact CD1-CD2 4.11Å; L184-Y274 HydrophobicContact CD1-CE1 4.49Å; L184-Y274 HydrophobicContact CD1-CE2 3.92Å; L184-Y274 HydrophobicContact CD1-CG 4.49Å; L184-M276 HydrophobicContact CB-SD 3.96Å; L184-M276 HydrophobicContact CD2-SD 4.07Å
185A97.5Very high96.4Very high0 Ų039.9 Ų39.90%020%0.201CC..SBendtrans-151-157.6-170.500000111.2G160 E161 A163 R187 E188 V189G160-A185 WeakPolarHBondContact O-CB 3.36Å; E161-A185 WeakPolarHBondContact O-CB 3.3Å; A163-A185 VanDerWaalsContact N-CB 3.27Å; A185-R187 PolarHBondContact O-N 2.84Å; A185-E188 PolarHBondContact N-OE2 2.97Å; A185-E188 PolarHBondContact O-N 2.83Å; A185-V189 WeakPolarHBondContact O-CG2 3.36Å; A185-V189 PolarHBondContact O-N 2.67Å
186G97.2Very high96.4Very high4 Ų437.9 Ų37.94%0.04119%0.191CC..Hα-helixtrans-53.4-38-177.200000114.3G160 E161 V189 T190 K217G160-G186 PolarHBondContact O-N 3.26Å; E161-G186 PolarHBondContact O-N 2.89Å; E161-G186 WeakPolarHBondContact OE2-CA 3.46Å; G186-V189 PolarHBondContact O-N 3.46Å; G186-T190 PolarHBondContact O-N 2.75Å; G186-T190 PolarHBondContact O-OG1 3.15Å; G186-K217 VanDerWaalsContact C-NZ 3.34Å; G186-K217 PolarHBondContact O-NZ 3.16Å
187R96Very high96.5Very high61 Ų6133.9 Ų33.923%0.2317%0.165CC..Hα-helixtrans-67.6-43.1-178.4-175.3170.6-66.7-150.81.6112.2E161 A185 V189 T190 N191E161-R187 HydrophobicContact CG-CB 4.44Å; E161-R187 VanDerWaalsContact O-CB 3.24Å; E161-R187 WeakPolarHBondContact O-CB 3.46Å; E161-R187 PolarHBondContact O-N 2.63Å; E161-R187 VanDerWaalsContact OE1-CA 3.24Å; E161-R187 WeakPolarHBondContact OE1-CA 3.36Å; E161-R187 WeakPolarHBondContact OE1-CB 3.36Å; E161-R187 PolarHBondContact OE1-N 3.39Å; A185-R187 PolarHBondContact O-N 2.84Å; R187-V189 VanDerWaalsContact C-N 3.32Å; R187-T190 WeakPolarHBondContact O-CB 3.45Å; R187-T190 PolarHBondContact O-N 3.04Å; R187-N191 PolarHBondContact O-N 3.25Å; R187-N191 PolarHBondContact O-ND2 3.15Å
188E97.1Very high96.4Very high21 Ų2130.7 Ų30.710%0.09815%0.145CC..Hα-helixtrans-66.3-37.8178-70.665-132.300110.8L184 A185 N191 Y192 L265 Y274L184-E188 HydrophobicContact CD1-CB 3.58Å; L184-E188 HydrophobicContact CD1-CG 4.03Å; A185-E188 PolarHBondContact N-OE2 2.97Å; A185-E188 PolarHBondContact O-N 2.83Å; E188-N191 PolarHBondContact O-N 3.08Å; E188-Y192 WeakPolarHBondContact O-CB 3.29Å; E188-Y192 PolarHBondContact O-N 3.1Å; E188-L265 HydrophobicContact CB-CD2 4.19Å; E188-Y274 HydrophobicContact CG-CE1 4.49Å; E188-Y274 WeakPolarHBondContact CG-OH 3.4Å
189V98.2Very high96.1Very high0 Ų035.9 Ų35.90%017%0.17CC..Hα-helixtrans-63.7-42.4172.4178.60000111.2A185 G186 R187 N191 Y192 L193 K217 A262 L265 M266 F311A185-V189 WeakPolarHBondContact O-CG2 3.36Å; A185-V189 PolarHBondContact O-N 2.67Å; G186-V189 PolarHBondContact O-N 3.46Å; R187-V189 VanDerWaalsContact C-N 3.32Å; V189-N191 VanDerWaalsContact C-N 3.35Å; V189-N191 PolarHBondContact O-N 2.64Å; V189-Y192 PolarHBondContact O-N 2.89Å; V189-L193 WeakPolarHBondContact O-CB 3.19Å; V189-L193 PolarHBondContact O-N 3.34Å; V189-K217 HydrophobicContact CB-CD 4.08Å; V189-K217 HydrophobicContact CG1-CD 3.8Å; V189-K217 HydrophobicContact CG1-CG 4.03Å; V189-A262 HydrophobicContact CG1-CB 4.25Å; V189-L265 HydrophobicContact CG2-CD2 4.48Å; V189-M266 HydrophobicContact CG2-CG 4.12Å; V189-M266 HydrophobicContact CG2-SD 4Å; V189-F311 HydrophobicContact CG1-CZ 3.96Å
190T97.1Very high95.7Very high0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-60-45.3174-54.20000111.2G186 R187 L193 K194 H210 A213 R214 K217G186-T190 PolarHBondContact O-N 2.75Å; G186-T190 PolarHBondContact O-OG1 3.15Å; R187-T190 WeakPolarHBondContact O-CB 3.45Å; R187-T190 PolarHBondContact O-N 3.04Å; T190-L193 WeakPolarHBondContact O-CB 3.48Å; T190-L193 PolarHBondContact O-N 2.81Å; T190-K194 WeakPolarHBondContact O-CG 3.46Å; T190-K194 PolarHBondContact O-N 2.88Å; T190-H210 VanDerWaalsContact CG2-CE1 3.47Å; T190-H210 WeakPolarHBondContact CG2-CE1 3.14Å; T190-A213 HydrophobicContact CG2-CB 3.83Å; T190-R214 HydrophobicContact CG2-CB 4.11Å; T190-K217 WeakPolarHBondContact OG1-CD 3.43Å; T190-K217 WeakPolarHBondContact OG1-CE 3.44Å; T190-K217 PolarHBondContact OG1-NZ 2.86Å
191N95.7Very high95.4Very high69 Ų6938.7 Ų38.737%0.36919%0.194SC..Hα-helixtrans-65.2-40.7179.6-73.9-25000112.2R187 E188 V189 K194 H195 H210R187-N191 PolarHBondContact O-N 3.25Å; R187-N191 PolarHBondContact O-ND2 3.15Å; E188-N191 PolarHBondContact O-N 3.08Å; V189-N191 VanDerWaalsContact C-N 3.35Å; V189-N191 PolarHBondContact O-N 2.64Å; N191-K194 WeakPolarHBondContact O-CB 3.4Å; N191-K194 PolarHBondContact O-N 3.43Å; N191-H195 PolarHBondContact O-N 3.44Å; N191-H195 VanDerWaalsContact O-N 3.08Å; N191-H210 PolarHBondContact OD1-CE1 3.3Å; N191-H210 VanDerWaalsContact OD1-CE1 3.24Å
192Y97.2Very high95.1Very high21 Ų2137.2 Ų37.28%0.08219%0.189CC..Hα-helixtrans-66.5-40.6175.8-172.3-131.4000111.4E188 V189 K194 H195 L196 R261 L265 L271 A272E188-Y192 WeakPolarHBondContact O-CB 3.29Å; E188-Y192 PolarHBondContact O-N 3.1Å; V189-Y192 PolarHBondContact O-N 2.89Å; Y192-K194 VanDerWaalsContact C-N 3.31Å; Y192-K194 PolarHBondContact O-N 2.83Å; Y192-H195 WeakPolarHBondContact O-CA 3.33Å; Y192-H195 VanDerWaalsContact O-CB 3.31Å; Y192-H195 WeakPolarHBondContact O-CB 3.49Å; Y192-H195 PolarHBondContact O-N 2.93Å; Y192-L196 HydrophobicContact CD1-CD1 4.25Å; Y192-L196 HydrophobicContact CE1-CD1 3.99Å; Y192-L196 HydrophobicContact CE1-CD2 4.45Å; Y192-L196 HydrophobicContact CE1-CG 4.36Å; Y192-L196 HydrophobicContact CE2-CD2 4.11Å; Y192-L196 HydrophobicContact CE2-CG 4.36Å; Y192-L196 WeakPolarHBondContact O-CG 3.3Å; Y192-L196 PolarHBondContact O-N 3.17Å; Y192-R261 WeakPolarHBondContact CE1-O 3.43Å; Y192-L265 HydrophobicContact CD1-CB 4.08Å; Y192-L265 HydrophobicContact CD1-CD1 4.47Å; Y192-L265 HydrophobicContact CD1-CD2 4.33Å; Y192-L265 HydrophobicContact CG-CD2 4.29Å; Y192-L271 HydrophobicContact CE1-CB 4.48Å; Y192-L271 PolarHBondContact OH-O 3.38Å; Y192-A272 HydrophobicContact CD2-CB 3.72Å; Y192-A272 HydrophobicContact CE2-CB 3.98Å; Y192-A272 HydrophobicContact CG-CB 4.22Å
193L97.4Very high94.7Very high0 Ų043 Ų430%021%0.214CC..Hα-helixtrans-57.8-42.6172.1178.261.4000112.1V189 T190 H195 L196 L197 A213 V216 K217 E258 A262V189-L193 WeakPolarHBondContact O-CB 3.19Å; V189-L193 PolarHBondContact O-N 3.34Å; T190-L193 WeakPolarHBondContact O-CB 3.48Å; T190-L193 PolarHBondContact O-N 2.81Å; L193-H195 VanDerWaalsContact C-N 3.28Å; L193-H195 PolarHBondContact O-N 3.23Å; L193-L196 PolarHBondContact O-N 3.38Å; L193-L197 HydrophobicContact CD1-CD1 4.22Å; L193-L197 HydrophobicContact CD1-CG 4.12Å; L193-L197 HydrophobicContact CG-CD1 4.01Å; L193-L197 HydrophobicContact CG-CG 4.35Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 VanDerWaalsContact O-CG 3.29Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3Å; L193-A213 VanDerWaalsContact CD2-O 3.28Å; L193-A213 WeakPolarHBondContact CD2-O 3.39Å; L193-V216 HydrophobicContact CD2-CB 4.14Å; L193-V216 HydrophobicContact CD2-CG1 3.68Å; L193-K217 HydrophobicContact CD2-CB 3.9Å; L193-E258 HydrophobicContact CD1-CB 3.92Å; L193-A262 HydrophobicContact CB-CB 3.76Å; L193-A262 HydrophobicContact CD1-CB 4.03Å; L193-A262 HydrophobicContact CG-CB 4.42Å
194K96.2Very high94.2Very high35 Ų3540 Ų4015%0.15220%0.198CC..Hα-helixtrans-59.4-41174.4-69.117465.61800112T190 N191 Y192 L197 T198 L204 H210 A213T190-K194 WeakPolarHBondContact O-CG 3.46Å; T190-K194 PolarHBondContact O-N 2.88Å; N191-K194 WeakPolarHBondContact O-CB 3.4Å; N191-K194 PolarHBondContact O-N 3.43Å; Y192-K194 VanDerWaalsContact C-N 3.31Å; Y192-K194 PolarHBondContact O-N 2.83Å; K194-L197 PolarHBondContact O-N 3.23Å; K194-T198 WeakPolarHBondContact O-CB 3.39Å; K194-T198 PolarHBondContact O-N 3.16Å; K194-T198 PolarHBondContact O-OG1 2.8Å; K194-L204 WeakPolarHBondContact CE-O 3.42Å; K194-L204 HydrophobicContact CG-CB 4.47Å; K194-L204 PolarHBondContact NZ-O 3.13Å; K194-H210 HydrophobicContact CD-CB 4.47Å; K194-A213 HydrophobicContact CD-CB 4.13Å; K194-A213 HydrophobicContact CG-CB 3.44Å; K194-A213 VanDerWaalsContact CG-CB 3.44Å
195H95.1Very high93.5Very high105 Ų10546.3 Ų46.349%0.48623%0.231SC..Hα-helixtrans-61.1-49175.7-178.369.4000110.9N191 Y192 L193 L197 T198 E199N191-H195 PolarHBondContact O-N 3.44Å; N191-H195 VanDerWaalsContact O-N 3.08Å; Y192-H195 WeakPolarHBondContact O-CA 3.33Å; Y192-H195 VanDerWaalsContact O-CB 3.31Å; Y192-H195 WeakPolarHBondContact O-CB 3.49Å; Y192-H195 PolarHBondContact O-N 2.93Å; L193-H195 VanDerWaalsContact C-N 3.28Å; L193-H195 PolarHBondContact O-N 3.23Å; H195-L197 PolarHBondContact O-N 3.25Å; H195-T198 WeakPolarHBondContact O-CA 3.43Å; H195-T198 VanDerWaalsContact O-CB 3.31Å; H195-T198 WeakPolarHBondContact O-CB 3.34Å; H195-T198 PolarHBondContact O-N 3.38Å; H195-E199 IonicContact CD2-OE1 3.22Å; H195-E199 IonicContact NE2-OE1 2.79Å; H195-E199 PolarHBondContact O-N 3.37Å
196L96.2Very high92.7Very high0 Ų049.7 Ų49.70%025%0.251CS..Hα-helixtrans-61-41.3177.3-62.7-177.5000113Y192 L193 T198 E199 R200 E258 R261 A262Y192-L196 HydrophobicContact CD1-CD1 4.25Å; Y192-L196 HydrophobicContact CE1-CD1 3.99Å; Y192-L196 HydrophobicContact CE1-CD2 4.45Å; Y192-L196 HydrophobicContact CE1-CG 4.36Å; Y192-L196 HydrophobicContact CE2-CD2 4.11Å; Y192-L196 HydrophobicContact CE2-CG 4.36Å; Y192-L196 WeakPolarHBondContact O-CG 3.3Å; Y192-L196 PolarHBondContact O-N 3.17Å; L193-L196 PolarHBondContact O-N 3.38Å; L196-T198 VanDerWaalsContact C-N 3.26Å; L196-T198 PolarHBondContact O-N 2.87Å; L196-E199 WeakPolarHBondContact O-CB 3.39Å; L196-E199 PolarHBondContact O-N 3.33Å; L196-R200 PolarHBondContact O-N 3.2Å; L196-E258 HydrophobicContact CB-CB 4.09Å; L196-E258 HydrophobicContact CB-CG 3.7Å; L196-E258 HydrophobicContact CD1-CB 4.24Å; L196-R261 HydrophobicContact CD1-CB 3.61Å; L196-A262 HydrophobicContact CD1-CB 4.15Å
197L95.4Very high91.7Very high0 Ų053.3 Ų53.30%027%0.273CS..Hα-helixtrans-65.4-32.7175.4-70.7173.8000111.7L193 K194 H195 R200 G201 Y202 L204 I255L193-L197 HydrophobicContact CD1-CD1 4.22Å; L193-L197 HydrophobicContact CD1-CG 4.12Å; L193-L197 HydrophobicContact CG-CD1 4.01Å; L193-L197 HydrophobicContact CG-CG 4.35Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 VanDerWaalsContact O-CG 3.29Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3Å; K194-L197 PolarHBondContact O-N 3.23Å; H195-L197 PolarHBondContact O-N 3.25Å; L197-R200 WeakPolarHBondContact O-CB 3.42Å; L197-R200 PolarHBondContact O-N 2.89Å; L197-G201 PolarHBondContact O-N 3.48Å; L197-Y202 CarbonylContact C-O 3.25Å; L197-Y202 HydrophobicContact CD2-CD2 4.21Å; L197-Y202 WeakPolarHBondContact O-CB 3.41Å; L197-Y202 PolarHBondContact O-N 3.44Å; L197-L204 HydrophobicContact CD1-CD1 3.7Å; L197-I255 HydrophobicContact CD2-CG1 4.25Å; L197-I255 HydrophobicContact CD2-CG2 4.24Å
198T94.4Very high90.8Very high62 Ų6254 Ų5438%0.3829%0.286SS..Hα-helixtrans-67.9-37.8174.8-57.90000111.7K194 H195 L196 R200 G201 Y202 K203K194-T198 WeakPolarHBondContact O-CB 3.39Å; K194-T198 PolarHBondContact O-N 3.16Å; K194-T198 PolarHBondContact O-OG1 2.8Å; H195-T198 WeakPolarHBondContact O-CA 3.43Å; H195-T198 VanDerWaalsContact O-CB 3.31Å; H195-T198 WeakPolarHBondContact O-CB 3.34Å; H195-T198 PolarHBondContact O-N 3.38Å; L196-T198 VanDerWaalsContact C-N 3.26Å; L196-T198 PolarHBondContact O-N 2.87Å; T198-R200 PolarHBondContact O-N 2.82Å; T198-G201 PolarHBondContact O-N 2.8Å; T198-Y202 WeakPolarHBondContact CA-O 3.22Å; T198-Y202 PolarHBondContact N-O 3.24Å; T198-K203 HydrophobicContact CG2-CG 4.36Å
199E92Very high90.2Very high110 Ų11055.6 Ų55.651%0.51429%0.293SS..Hα-helixtrans-56.5-32.7172.1-62.4176.4168.600111.7H195 L196 G201 R261H195-E199 IonicContact CD2-OE1 3.22Å; H195-E199 IonicContact NE2-OE1 2.79Å; H195-E199 PolarHBondContact O-N 3.37Å; L196-E199 WeakPolarHBondContact O-CB 3.39Å; L196-E199 PolarHBondContact O-N 3.33Å; E199-G201 VanDerWaalsContact C-N 3.31Å; E199-R261 IonicContact OE2-CZ 2.72Å; E199-R261 IonicContact OE2-NH1 3.86Å; E199-R261 PolarHBondContact OE2-NH1 3.46Å; E199-R261 IonicContact OE2-NH2 3.83Å; E199-R261 PolarHBondContact OE2-NH2 2.92Å; E199-R261 VanDerWaalsContact OE2-NH2 3.15Å
200R88.9Confident89.7Confident82 Ų8257.2 Ų57.231%0.30930%0.301SS..THydrogen-bonded Turntrans-82.8-5.7177.7-162.7164.1-178.6150.91.3114.1L196 L197 T198 Y202 E242 N254 E258L196-R200 PolarHBondContact O-N 3.2Å; L197-R200 WeakPolarHBondContact O-CB 3.42Å; L197-R200 PolarHBondContact O-N 2.89Å; T198-R200 PolarHBondContact O-N 2.82Å; R200-Y202 HydrophobicContact CB-CD2 4.26Å; R200-Y202 HydrophobicContact CG-CD2 4.3Å; R200-Y202 HydrophobicContact CG-CE2 4.07Å; R200-E242 IonicContact CZ-OE1 3.08Å; R200-E242 IonicContact NH2-OE1 3.4Å; R200-E242 PolarHBondContact NH2-OE1 3.14Å; R200-N254 PolarHBondContact NE-O 3.06Å; R200-N254 VanDerWaalsContact NE-O 3.16Å; R200-E258 WeakPolarHBondContact CD-OE1 3.5Å; R200-E258 IonicContact NH1-OE1 2.67Å; R200-E258 PolarHBondContact NH1-OE1 3.03Å; R200-E258 IonicContact NH1-OE2 3.54Å; R200-E258 PolarHBondContact NH1-OE2 3Å; R200-E258 VanDerWaalsContact NH1-OE2 3.14Å
201G91Very high89.2Confident56 Ų5659.4 Ų59.458%0.57731%0.311SS*.THydrogen-bonded Turntrans98.40.1-179.400000115L197 T198 E199 K203L197-G201 PolarHBondContact O-N 3.48Å; T198-G201 PolarHBondContact O-N 2.8Å; E199-G201 VanDerWaalsContact C-N 3.31Å; G201-K203 PolarHBondContact O-N 3.08Å
202Y89.4Confident88.9Confident52 Ų5257.1 Ų57.120%0.20430%0.299CS..  trans-89.6101.1175.3-56-55.7000110.5L197 T198 R200 L204 L253 N254L197-Y202 CarbonylContact C-O 3.25Å; L197-Y202 HydrophobicContact CD2-CD2 4.21Å; L197-Y202 WeakPolarHBondContact O-CB 3.41Å; L197-Y202 PolarHBondContact O-N 3.44Å; T198-Y202 WeakPolarHBondContact CA-O 3.22Å; T198-Y202 PolarHBondContact N-O 3.24Å; R200-Y202 HydrophobicContact CB-CD2 4.26Å; R200-Y202 HydrophobicContact CG-CD2 4.3Å; R200-Y202 HydrophobicContact CG-CE2 4.07Å; Y202-L204 PolarHBondContact O-N 3.31Å; Y202-L253 HydrophobicContact CD1-CD2 3.44Å; Y202-L253 VanDerWaalsContact CD1-CD2 3.44Å; Y202-L253 HydrophobicContact CD2-CD2 4.3Å; Y202-L253 HydrophobicContact CE1-CD2 3.5Å; Y202-L253 VanDerWaalsContact CE1-CD2 3.5Å; Y202-L253 HydrophobicContact CE2-CD2 4.34Å; Y202-L253 HydrophobicContact CG-CD2 3.86Å; Y202-N254 PolarHBondContact OH-N 2.86Å; Y202-N254 VanDerWaalsContact OH-N 3.14Å
203K86.9Confident88.8Confident147 Ų14756.1 Ų56.164%0.63930%0.295SS*.  trans-87.497.4-179.2-66.9-175-179.1-179.40111.2T198 G201 I205T198-K203 HydrophobicContact CG2-CG 4.36Å; G201-K203 PolarHBondContact O-N 3.08Å; K203-I205 HydrophobicContact CB-CD1 4.33Å; K203-I205 HydrophobicContact CB-CG1 4.31Å
204L83.2Confident88.6Confident13 Ų1359.2 Ų59.27%0.06831%0.307CS..  trans-95.890.8174.4-63.4-176.5000109.7K194 L197 Y202 E209 A213K194-L204 WeakPolarHBondContact CE-O 3.42Å; K194-L204 HydrophobicContact CG-CB 4.47Å; K194-L204 PolarHBondContact NZ-O 3.13Å; L197-L204 HydrophobicContact CD1-CD1 3.7Å; Y202-L204 PolarHBondContact O-N 3.31Å; L204-E209 HydrophobicContact CB-CB 3.76Å; L204-E209 HydrophobicContact CD2-CB 3.77Å; L204-E209 HydrophobicContact CD2-CG 3.82Å; L204-E209 HydrophobicContact CG-CB 4.29Å; L204-A213 HydrophobicContact CD1-CB 4.14Å
205I80.8Confident88.5Confident135 Ų13560 Ų6069%0.69231%0.312SS*.  trans-101.6-42.9-171.4-56.1175.1000111.4K203 E209K203-I205 HydrophobicContact CB-CD1 4.33Å; K203-I205 HydrophobicContact CB-CG1 4.31Å; I205-E209 PolarHBondContact N-OE2 3.48Å
206T81.6Confident88.6Confident70 Ų7055 Ų5543%0.42929%0.289SS..SBendtrans-70.6163.6-173.267.90000112.6C208 E209 H210T206-C208 VanDerWaalsContact C-N 3.27Å; T206-C208 PolarHBondContact O-N 2.86Å; T206-E209 WeakPolarHBondContact CB-OE2 3.4Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.33Å; T206-E209 PolarHBondContact N-OE2 3.1Å; T206-E209 PolarHBondContact O-N 2.98Å; T206-E209 WeakPolarHBondContact OG1-CB 3.24Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 WeakPolarHBondContact OG1-CG 3.5Å; T206-E209 PolarHBondContact OG1-N 2.89Å; T206-E209 PolarHBondContact OG1-OE2 3.17Å; T206-H210 PolarHBondContact O-N 3.04Å
207T76.3Confident88.6Confident81 Ų8155.3 Ų55.350%0.49729%0.29SS..Hα-helixtrans-66.3-29.5174.754.10000112.5H210T207-H210 WeakPolarHBondContact O-CB 3.48Å; T207-H210 PolarHBondContact O-N 2.96Å
208C77.4Confident88.7Confident75 Ų7560.3 Ų60.351%0.50731%0.314SS..Hα-helixtrans-65.7-44.7172.2-170.10000110.8T206 H210 E211 I212T206-C208 VanDerWaalsContact C-N 3.27Å; T206-C208 PolarHBondContact O-N 2.86Å; C208-H210 PolarHBondContact O-N 2.83Å; C208-E211 WeakPolarHBondContact O-CB 3.22Å; C208-E211 PolarHBondContact O-N 3.48Å; C208-I212 PolarHBondContact O-N 3.39Å
209E84.2Confident88.8Confident54 Ų5462.4 Ų62.425%0.25232%0.323SS..Hα-helixtrans-67.9-21.9177.3-70164.9147.100113.2L204 I205 T206 I212 A213L204-E209 HydrophobicContact CB-CB 3.76Å; L204-E209 HydrophobicContact CD2-CB 3.77Å; L204-E209 HydrophobicContact CD2-CG 3.82Å; L204-E209 HydrophobicContact CG-CB 4.29Å; I205-E209 PolarHBondContact N-OE2 3.48Å; T206-E209 WeakPolarHBondContact CB-OE2 3.4Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.33Å; T206-E209 PolarHBondContact N-OE2 3.1Å; T206-E209 PolarHBondContact O-N 2.98Å; T206-E209 WeakPolarHBondContact OG1-CB 3.24Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 WeakPolarHBondContact OG1-CG 3.5Å; T206-E209 PolarHBondContact OG1-N 2.89Å; T206-E209 PolarHBondContact OG1-OE2 3.17Å; E209-I212 HydrophobicContact CG-CD1 4.46Å; E209-I212 PolarHBondContact O-N 3.15Å; E209-A213 PolarHBondContact O-N 3.28Å
210H87.4Confident89Confident34 Ų3458.3 Ų58.316%0.15730%0.304CS..Hα-helixtrans-66.6-37.2169.3-174.486.9000112.1T190 N191 K194 T206 T207 C208 I212 A213 R214T190-H210 VanDerWaalsContact CG2-CE1 3.47Å; T190-H210 WeakPolarHBondContact CG2-CE1 3.14Å; N191-H210 PolarHBondContact OD1-CE1 3.3Å; N191-H210 VanDerWaalsContact OD1-CE1 3.24Å; K194-H210 HydrophobicContact CD-CB 4.47Å; T206-H210 PolarHBondContact O-N 3.04Å; T207-H210 WeakPolarHBondContact O-CB 3.48Å; T207-H210 PolarHBondContact O-N 2.96Å; C208-H210 PolarHBondContact O-N 2.83Å; H210-I212 VanDerWaalsContact C-N 3.34Å; H210-A213 PolarHBondContact O-N 2.68Å; H210-R214 PolarHBondContact O-N 2.84Å
211E86.8Confident89.4Confident46 Ų4654.9 Ų54.922%0.21529%0.293CS..Hα-helixtrans-67.5-35.9174.2-64.7-56.9143.400111.8R66 C208 A213 R214 D215R66-E211 IonicContact CZ-OE1 3.79Å; R66-E211 IonicContact NH1-OE1 3.79Å; R66-E211 IonicContact NH2-OE1 3.15Å; R66-E211 PolarHBondContact NH2-OE1 2.95Å; C208-E211 WeakPolarHBondContact O-CB 3.22Å; C208-E211 PolarHBondContact O-N 3.48Å; E211-A213 VanDerWaalsContact C-N 3.33Å; E211-A213 PolarHBondContact O-N 2.87Å; E211-R214 PolarHBondContact O-N 2.97Å; E211-R214 IonicContact OE2-CZ 3.28Å; E211-R214 IonicContact OE2-NE 3.06Å; E211-R214 PolarHBondContact OE2-NE 2.96Å; E211-R214 IonicContact OE2-NH2 2.63Å; E211-R214 PolarHBondContact OE2-NH2 3.01Å; E211-R214 VanDerWaalsContact OE2-NH2 3.08Å; E211-D215 WeakPolarHBondContact O-CB 3.41Å; E211-D215 PolarHBondContact O-N 3.1Å
212I89.8Confident89.8Confident21 Ų2153.3 Ų53.311%0.10827%0.269CS..Hα-helixtrans-60-46.1172-65.3170.6000110.3C208 E209 H210 R214 D215 V216 Y245 L247C208-I212 PolarHBondContact O-N 3.39Å; E209-I212 HydrophobicContact CG-CD1 4.46Å; E209-I212 PolarHBondContact O-N 3.15Å; H210-I212 VanDerWaalsContact C-N 3.34Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 PolarHBondContact O-N 2.89Å; I212-D215 PolarHBondContact O-N 2.87Å; I212-V216 WeakPolarHBondContact O-CB 3.24Å; I212-V216 VanDerWaalsContact O-CG2 3.3Å; I212-V216 WeakPolarHBondContact O-CG2 3.5Å; I212-V216 PolarHBondContact O-N 2.77Å; I212-Y245 HydrophobicContact CG2-CE1 3.97Å; I212-L247 HydrophobicContact CD1-CD2 4.06Å; I212-L247 HydrophobicContact CG2-CD2 3.58Å
213A94.3Very high90.2Very high0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-64-37176.500000112.3T190 L193 K194 L204 E209 H210 E211 K217T190-A213 HydrophobicContact CG2-CB 3.83Å; L193-A213 VanDerWaalsContact CD2-O 3.28Å; L193-A213 WeakPolarHBondContact CD2-O 3.39Å; K194-A213 HydrophobicContact CD-CB 4.13Å; K194-A213 HydrophobicContact CG-CB 3.44Å; K194-A213 VanDerWaalsContact CG-CB 3.44Å; L204-A213 HydrophobicContact CD1-CB 4.14Å; E209-A213 PolarHBondContact O-N 3.28Å; H210-A213 PolarHBondContact O-N 2.68Å; E211-A213 VanDerWaalsContact C-N 3.33Å; E211-A213 PolarHBondContact O-N 2.87Å; A213-K217 WeakPolarHBondContact O-CB 3.2Å; A213-K217 PolarHBondContact O-N 3.22Å
214R94.3Very high90.8Very high66 Ų6644.1 Ų44.125%0.24923%0.231CC..Hα-helixtrans-64.8-44.5175.4-173.8-175.165.477.92.1111.4T190 H210 E211 I212 K217 E218T190-R214 HydrophobicContact CG2-CB 4.11Å; H210-R214 PolarHBondContact O-N 2.84Å; E211-R214 PolarHBondContact O-N 2.97Å; E211-R214 IonicContact OE2-CZ 3.28Å; E211-R214 IonicContact OE2-NE 3.06Å; E211-R214 PolarHBondContact OE2-NE 2.96Å; E211-R214 IonicContact OE2-NH2 2.63Å; E211-R214 PolarHBondContact OE2-NH2 3.01Å; E211-R214 VanDerWaalsContact OE2-NH2 3.08Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 PolarHBondContact O-N 2.89Å; R214-K217 WeakPolarHBondContact O-CB 3.41Å; R214-K217 PolarHBondContact O-N 2.85Å; R214-E218 VanDerWaalsContact CG-OE1 3.25Å; R214-E218 WeakPolarHBondContact CG-OE1 3.46Å; R214-E218 IonicContact CZ-OE1 3.95Å; R214-E218 IonicContact NH1-OE1 3.98Å; R214-E218 PolarHBondContact NH1-OE1 2.85Å; R214-E218 IonicContact NH1-OE2 2.78Å; R214-E218 PolarHBondContact NH1-OE2 2.91Å; R214-E218 WeakPolarHBondContact O-CG 3.49Å; R214-E218 PolarHBondContact O-N 2.94Å
215D94.1Very high91.5Very high50 Ų5047.9 Ų47.927%0.26725%0.25SC..Hα-helixtrans-64.1-45178.3-170.685.4000111.5E211 I212 K217 E218 N219 Y245E211-D215 WeakPolarHBondContact O-CB 3.41Å; E211-D215 PolarHBondContact O-N 3.1Å; I212-D215 PolarHBondContact O-N 2.87Å; D215-K217 VanDerWaalsContact C-N 3.3Å; D215-K217 PolarHBondContact O-N 3.01Å; D215-E218 PolarHBondContact O-N 2.89Å; D215-N219 WeakPolarHBondContact O-CB 3.2Å; D215-N219 PolarHBondContact O-N 3.03Å; D215-N219 PolarHBondContact O-ND2 3.38Å; D215-N219 PolarHBondContact OD1-ND2 3.07Å; D215-N219 PolarHBondContact OD2-ND2 3.23Å; D215-Y245 VanDerWaalsContact OD2-CE2 3.24Å; D215-Y245 WeakPolarHBondContact OD2-CE2 3.43Å; D215-Y245 PolarHBondContact OD2-OH 3.02Å
216V96Very high92.3Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-55.7-46.1171.5166.70000111.2L193 I212 E218 N219 L220 Y245 I255L193-V216 HydrophobicContact CD2-CB 4.14Å; L193-V216 HydrophobicContact CD2-CG1 3.68Å; I212-V216 WeakPolarHBondContact O-CB 3.24Å; I212-V216 VanDerWaalsContact O-CG2 3.3Å; I212-V216 WeakPolarHBondContact O-CG2 3.5Å; I212-V216 PolarHBondContact O-N 2.77Å; V216-E218 PolarHBondContact O-N 2.84Å; V216-N219 PolarHBondContact O-N 3.05Å; V216-L220 HydrophobicContact CG1-CD1 4.38Å; V216-L220 WeakPolarHBondContact O-CA 3.47Å; V216-L220 WeakPolarHBondContact O-CB 3.44Å; V216-L220 PolarHBondContact O-N 2.86Å; V216-Y245 HydrophobicContact CG2-CD1 3.9Å; V216-Y245 HydrophobicContact CG2-CD2 3.81Å; V216-Y245 HydrophobicContact CG2-CE1 4.02Å; V216-Y245 HydrophobicContact CG2-CE2 3.92Å; V216-Y245 HydrophobicContact CG2-CG 3.8Å; V216-I255 HydrophobicContact CB-CD1 4.24Å; V216-I255 HydrophobicContact CG1-CD1 3.44Å; V216-I255 VanDerWaalsContact CG1-CD1 3.44Å; V216-I255 HydrophobicContact CG1-CG2 4.44Å; V216-I255 HydrophobicContact CG2-CD1 3.67Å
217K97.4Very high93.1Very high7 Ų742.6 Ų42.63%0.0322%0.217CC..Hα-helixtrans-57.4-49.5177.4174.1-165.570.4176.60110.7E161 G186 V189 T190 L193 A213 R214 D215 C221 F311E161-K217 IonicContact OE2-NZ 3.45Å; E161-K217 PolarHBondContact OE2-NZ 3.17Å; G186-K217 VanDerWaalsContact C-NZ 3.34Å; G186-K217 PolarHBondContact O-NZ 3.16Å; V189-K217 HydrophobicContact CB-CD 4.08Å; V189-K217 HydrophobicContact CG1-CD 3.8Å; V189-K217 HydrophobicContact CG1-CG 4.03Å; T190-K217 WeakPolarHBondContact OG1-CD 3.43Å; T190-K217 WeakPolarHBondContact OG1-CE 3.44Å; T190-K217 PolarHBondContact OG1-NZ 2.86Å; L193-K217 HydrophobicContact CD2-CB 3.9Å; A213-K217 WeakPolarHBondContact O-CB 3.2Å; A213-K217 PolarHBondContact O-N 3.22Å; R214-K217 WeakPolarHBondContact O-CB 3.41Å; R214-K217 PolarHBondContact O-N 2.85Å; D215-K217 VanDerWaalsContact C-N 3.3Å; D215-K217 PolarHBondContact O-N 3.01Å; K217-C221 VanDerWaalsContact O-CB 3.25Å; K217-C221 WeakPolarHBondContact O-CB 3.48Å; K217-C221 PolarHBondContact O-N 3.17Å; K217-F311 HydrophobicContact CD-CZ 4.1Å; K217-F311 HydrophobicContact CG-CE1 3.8Å; K217-F311 HydrophobicContact CG-CZ 3.72Å
218E96.5Very high94.1Very high105 Ų10540.8 Ų40.849%0.49122%0.215SC..Hα-helixtrans-71.4-33.5-174.8-71.2173-159.300112.6R214 D215 V216R214-E218 VanDerWaalsContact CG-OE1 3.25Å; R214-E218 WeakPolarHBondContact CG-OE1 3.46Å; R214-E218 IonicContact CZ-OE1 3.95Å; R214-E218 IonicContact NH1-OE1 3.98Å; R214-E218 PolarHBondContact NH1-OE1 2.85Å; R214-E218 IonicContact NH1-OE2 2.78Å; R214-E218 PolarHBondContact NH1-OE2 2.91Å; R214-E218 WeakPolarHBondContact O-CG 3.49Å; R214-E218 PolarHBondContact O-N 2.94Å; D215-E218 PolarHBondContact O-N 2.89Å; V216-E218 PolarHBondContact O-N 2.84Å
219N95.9Very high95Very high106 Ų10643 Ų4357%0.56722%0.216SC*.Hα-helixtrans-97.1-30-173.2-69-48.1000114.8D215 V216D215-N219 WeakPolarHBondContact O-CB 3.2Å; D215-N219 PolarHBondContact O-N 3.03Å; D215-N219 PolarHBondContact O-ND2 3.38Å; D215-N219 PolarHBondContact OD1-ND2 3.07Å; D215-N219 PolarHBondContact OD2-ND2 3.23Å; V216-N219 PolarHBondContact O-N 3.05Å
220L97Very high95.6Very high25 Ų2542.6 Ų42.613%0.13121%0.214CC..Hα-helixtrans-117.4-22.5-170.1-58.3-175.7000114.6V216 M243 Y245 I255 R259V216-L220 HydrophobicContact CG1-CD1 4.38Å; V216-L220 WeakPolarHBondContact O-CA 3.47Å; V216-L220 WeakPolarHBondContact O-CB 3.44Å; V216-L220 PolarHBondContact O-N 2.86Å; L220-M243 HydrophobicContact CD2-CE 4.3Å; L220-M243 HydrophobicContact CD2-SD 4.04Å; L220-Y245 HydrophobicContact CD1-CD2 3.92Å; L220-Y245 HydrophobicContact CD1-CG 4.36Å; L220-I255 HydrophobicContact CD1-CD1 3.9Å; L220-R259 HydrophobicContact CB-CG 4.38Å; L220-R259 PolarHBondContact O-NE 3.25Å
221C98.3Very high96.1Very high10 Ų1042.9 Ų42.97%0.06822%0.216CC..  trans-80.3153.5-178.2-68.90000112.9K217 R259 P263 F311K217-C221 VanDerWaalsContact O-CB 3.25Å; K217-C221 WeakPolarHBondContact O-CB 3.48Å; K217-C221 PolarHBondContact O-N 3.17Å; C221-R259 CarbonylContact C-O 3.58Å; C221-R259 WeakPolarHBondContact CA-O 3.25Å; C221-R259 WeakPolarHBondContact CB-O 3.43Å; C221-R259 PolarHBondContact SG-O 2.96Å; C221-R259 VanDerWaalsContact SG-O 3.36Å; C221-P263 HydrophobicContact CB-CG 3.63Å; C221-F311 HydrophobicContact CB-CD1 4.12Å; C221-F311 HydrophobicContact CB-CE1 3.81Å
222Y98.4Very high96.5Very high22 Ų2245.6 Ų45.69%0.08623%0.229CC..BIsolated β-bridgetrans-153.7162.1179.162.9-84.8000110.3Y241 R259 F260Y222-Y241 WeakPolarHBondContact OH-CE1 3.05Å; Y222-R259 HydrophobicContact CD1-CB 4.24Å; Y222-R259 HydrophobicContact CE1-CB 3.93Å; Y222-R259 PolarHBondContact N-O 3.37Å; Y222-F260 HydrophobicContact CD2-CB 4.23Å; Y222-F260 HydrophobicContact CE1-CB 4.33Å; Y222-F260 HydrophobicContact CE1-CD1 4.49Å; Y222-F260 HydrophobicContact CE2-CB 3.82Å; Y222-F260 HydrophobicContact CE2-CD1 4.44Å; Y222-F260 HydrophobicContact CE2-CG 4.47Å; Y222-F260 AromaticContact CZ-CD1 3.87Å; Y222-F260 VanDerWaalsContact O-CA 3.29Å; Y222-F260 WeakPolarHBondContact O-CA 3.13Å; Y222-F260 WeakPolarHBondContact OH-CD1 3.36Å
223V98.7Very high96.8Very high6 Ų649.6 Ų49.64%0.03625%0.246CC..  trans-93.4124.4175173.40000109P263 F267 F311 R312 F314 R317V223-P263 HydrophobicContact CG2-CB 3.87Å; V223-F267 HydrophobicContact CG1-CD2 4.18Å; V223-F267 HydrophobicContact CG1-CE2 3.64Å; V223-F267 HydrophobicContact CG1-CZ 4.18Å; V223-F267 HydrophobicContact CG2-CE2 4.08Å; V223-F311 HydrophobicContact CG2-CB 3.86Å; V223-F311 HydrophobicContact CG2-CG 4.4Å; V223-R312 PolarHBondContact N-O 3.13Å; V223-F314 HydrophobicContact CB-CB 4.46Å; V223-F314 HydrophobicContact CG2-CB 4.03Å; V223-F314 HydrophobicContact CG2-CD2 3.94Å; V223-F314 HydrophobicContact CG2-CG 4.44Å; V223-R317 HydrophobicContact CG1-CB 3.5Å; V223-R317 HydrophobicContact CG1-CG 3.63Å
224A98.1Very high96.8Very high1 Ų149.9 Ų49.91%0.00825%0.248CC..  trans-72.4143.2174.600000111.2D226 E230 F260 R317A224-D226 VanDerWaalsContact C-N 3.35Å; A224-E230 HydrophobicContact CB-CB 3.78Å; A224-E230 HydrophobicContact CB-CG 3.83Å; A224-F260 HydrophobicContact CB-CB 4.22Å; A224-F260 HydrophobicContact CB-CD2 4.3Å; A224-F260 HydrophobicContact CB-CG 4.47Å; A224-R317 WeakPolarHBondContact O-CD 3.36Å; A224-R317 PolarHBondContact O-NH1 3.34Å
225M97.8Very high96.8Very high91 Ų9152.8 Ų52.845%0.44826%0.264SS..SBendtrans-72.9-31177.1-174.457.1128.700112.3E316 R317 K320M225-E316 HydrophobicContact CE-CB 4Å; M225-E316 HydrophobicContact SD-CB 4.48Å; M225-R317 WeakPolarHBondContact O-CD 3.36Å; M225-K320 HydrophobicContact CE-CB 4.39Å; M225-K320 HydrophobicContact CE-CD 4.39Å; M225-K320 HydrophobicContact CG-CD 4.23Å; M225-K320 PolarHBondContact O-NZ 3.18Å; M225-K320 HydrophobicContact SD-CB 4.1Å; M225-K320 HydrophobicContact SD-CD 3.62Å; M225-K320 HydrophobicContact SD-CG 4.47Å
226D98Very high96.8Very high52 Ų5256.6 Ų56.628%0.27828%0.28SS..SBendtrans-141.299.4174.1-174.7-38.5000107.4A224 G228 K229 E230A224-D226 VanDerWaalsContact C-N 3.35Å; D226-G228 VanDerWaalsContact C-N 3.3Å; D226-G228 PolarHBondContact O-N 3.19Å; D226-G228 PolarHBondContact OD1-N 3.24Å; D226-K229 HydrophobicContact CB-CB 4.15Å; D226-K229 HydrophobicContact CB-CD 4.22Å; D226-K229 HydrophobicContact CB-CG 4.34Å; D226-K229 PolarHBondContact O-N 3.41Å; D226-K229 PolarHBondContact OD1-N 3.49Å; D226-K229 VanDerWaalsContact OD1-N 3.08Å; D226-K229 WeakPolarHBondContact OD2-CD 3.5Å; D226-K229 VanDerWaalsContact OD2-CE 3.32Å; D226-K229 WeakPolarHBondContact OD2-CE 3.34Å; D226-K229 IonicContact OD2-NZ 3.79Å; D226-E230 WeakPolarHBondContact O-CB 3.46Å; D226-E230 PolarHBondContact O-N 3.27Å
227Y97.8Very high96.5Very high43 Ų4360.2 Ų60.217%0.16930%0.3CS..Hα-helixtrans-57.8-41.9-175174.1-102.8000112.7E230 L231 F260 R261 E264Y227-E230 PolarHBondContact O-N 3.22Å; Y227-L231 HydrophobicContact CE1-CD2 4.15Å; Y227-L231 VanDerWaalsContact O-CB 3.24Å; Y227-L231 WeakPolarHBondContact O-CB 3.24Å; Y227-L231 PolarHBondContact O-N 2.76Å; Y227-F260 HydrophobicContact CD2-CD2 4.04Å; Y227-F260 HydrophobicContact CD2-CE2 4.27Å; Y227-F260 HydrophobicContact CE2-CD2 4.1Å; Y227-F260 HydrophobicContact CE2-CE2 4.14Å; Y227-R261 HydrophobicContact CE2-CG 4.01Å; Y227-E264 HydrophobicContact CD1-CG 4.28Å; Y227-E264 HydrophobicContact CD2-CB 3.82Å; Y227-E264 HydrophobicContact CD2-CG 3.45Å; Y227-E264 VanDerWaalsContact CD2-CG 3.45Å; Y227-E264 HydrophobicContact CE2-CB 3.89Å; Y227-E264 HydrophobicContact CE2-CG 3.78Å; Y227-E264 HydrophobicContact CG-CG 3.73Å
228G97.3Very high96.1Very high43 Ų4366.5 Ų66.544%0.44333%0.327SS..Hα-helixtrans-64.4-45.4-178.200000112.1D226 L231 Q232D226-G228 VanDerWaalsContact C-N 3.3Å; D226-G228 PolarHBondContact O-N 3.19Å; D226-G228 PolarHBondContact OD1-N 3.24Å; G228-L231 PolarHBondContact O-N 3.25Å; G228-Q232 PolarHBondContact O-N 3.38Å
229K96.9Very high95.7Very high122 Ų12269.9 Ų69.953%0.5334%0.34SS..Hα-helixtrans-66.8-44.1176.4-68.5-178.1-173.1175.70112.3D226 L231 Q232 F233D226-K229 HydrophobicContact CB-CB 4.15Å; D226-K229 HydrophobicContact CB-CD 4.22Å; D226-K229 HydrophobicContact CB-CG 4.34Å; D226-K229 PolarHBondContact O-N 3.41Å; D226-K229 PolarHBondContact OD1-N 3.49Å; D226-K229 VanDerWaalsContact OD1-N 3.08Å; D226-K229 WeakPolarHBondContact OD2-CD 3.5Å; D226-K229 VanDerWaalsContact OD2-CE 3.32Å; D226-K229 WeakPolarHBondContact OD2-CE 3.34Å; D226-K229 IonicContact OD2-NZ 3.79Å; K229-L231 VanDerWaalsContact C-N 3.28Å; K229-L231 PolarHBondContact O-N 3.27Å; K229-Q232 PolarHBondContact O-N 3.44Å; K229-F233 HydrophobicContact CB-CE2 4.38Å; K229-F233 VanDerWaalsContact O-CD2 3.3Å; K229-F233 WeakPolarHBondContact O-CD2 3.39Å; K229-F233 WeakPolarHBondContact O-CG 3.39Å; K229-F233 PolarHBondContact O-N 3.01Å
230E97.1Very high95.4Very high44 Ų4470.8 Ų70.821%0.20635%0.345CS..Hα-helixtrans-61.2-40.9178.2-156.279.9-131.300111A224 D226 Y227 F233 S234 Y241 F260A224-E230 HydrophobicContact CB-CB 3.78Å; A224-E230 HydrophobicContact CB-CG 3.83Å; D226-E230 WeakPolarHBondContact O-CB 3.46Å; D226-E230 PolarHBondContact O-N 3.27Å; Y227-E230 PolarHBondContact O-N 3.22Å; E230-F233 PolarHBondContact O-N 3.35Å; E230-S234 WeakPolarHBondContact O-CB 3.42Å; E230-S234 PolarHBondContact O-N 2.93Å; E230-S234 PolarHBondContact O-OG 2.82Å; E230-Y241 HydrophobicContact CG-CE1 3.96Å; E230-Y241 WeakPolarHBondContact OE1-CE1 3.4Å; E230-Y241 VanDerWaalsContact OE1-CZ 3.24Å; E230-Y241 PolarHBondContact OE1-OH 3.45Å; E230-F260 HydrophobicContact CB-CD2 4.25Å; E230-F260 HydrophobicContact CB-CE2 4Å; E230-F260 HydrophobicContact CB-CZ 4.22Å; E230-F260 HydrophobicContact CG-CD1 3.96Å; E230-F260 HydrophobicContact CG-CD2 4.04Å; E230-F260 HydrophobicContact CG-CE1 3.89Å; E230-F260 HydrophobicContact CG-CE2 4.01Å; E230-F260 HydrophobicContact CG-CG 4.02Å; E230-F260 HydrophobicContact CG-CZ 3.92Å
231L96.9Very high95.1Very high41 Ų4170.8 Ų70.822%0.21534%0.343CS..Hα-helixtrans-63.3-46176.4-174.562.9000111.6Y227 G228 K229 S234 Q235 F260 R261Y227-L231 HydrophobicContact CE1-CD2 4.15Å; Y227-L231 VanDerWaalsContact O-CB 3.24Å; Y227-L231 WeakPolarHBondContact O-CB 3.24Å; Y227-L231 PolarHBondContact O-N 2.76Å; G228-L231 PolarHBondContact O-N 3.25Å; K229-L231 VanDerWaalsContact C-N 3.28Å; K229-L231 PolarHBondContact O-N 3.27Å; L231-S234 PolarHBondContact O-N 2.72Å; L231-S234 PolarHBondContact O-OG 3.22Å; L231-Q235 WeakPolarHBondContact O-CG 3.31Å; L231-Q235 PolarHBondContact O-N 2.79Å; L231-F260 HydrophobicContact CB-CE2 4.22Å; L231-F260 HydrophobicContact CD1-CE2 4.37Å; L231-F260 HydrophobicContact CD1-CZ 4.42Å; L231-R261 HydrophobicContact CD1-CG 4.43Å
232Q96.6Very high94.9Very high103 Ų10373.5 Ų73.548%0.48136%0.355SS..Hα-helixtrans-59.7-50.7176.4-176.7-177.8-10.500111.5G228 K229 S234 Q235 E236G228-Q232 PolarHBondContact O-N 3.38Å; K229-Q232 PolarHBondContact O-N 3.44Å; Q232-S234 VanDerWaalsContact C-N 3.29Å; Q232-S234 PolarHBondContact O-N 3.15Å; Q232-Q235 WeakPolarHBondContact O-CB 3.47Å; Q232-Q235 PolarHBondContact O-N 3.13Å; Q232-E236 WeakPolarHBondContact CG-OE1 3.38Å; Q232-E236 PolarHBondContact NE2-OE1 3.44Å; Q232-E236 PolarHBondContact O-N 2.64Å; Q232-E236 VanDerWaalsContact O-N 3.15Å
233F95.8Very high94.7Very high104 Ų10476.3 Ų76.346%0.45637%0.37SS..Hα-helixtrans-62.2-35.7179-68.1-39.2000112.8K229 E230 Q235 E236 D237 Y241K229-F233 HydrophobicContact CB-CE2 4.38Å; K229-F233 VanDerWaalsContact O-CD2 3.3Å; K229-F233 WeakPolarHBondContact O-CD2 3.39Å; K229-F233 WeakPolarHBondContact O-CG 3.39Å; K229-F233 PolarHBondContact O-N 3.01Å; E230-F233 PolarHBondContact O-N 3.35Å; F233-Q235 PolarHBondContact O-N 3.03Å; F233-E236 PolarHBondContact O-N 2.82Å; F233-D237 PolarHBondContact O-N 2.95Å; F233-Y241 HydrophobicContact CB-CE2 4.1Å
234S94.9Very high94.4Very high7 Ų780.1 Ų80.15%0.04939%0.393CS..Hα-helixtrans-65.7-23.6175.7790000113.8E230 L231 Q232 K238E230-S234 WeakPolarHBondContact O-CB 3.42Å; E230-S234 PolarHBondContact O-N 2.93Å; E230-S234 PolarHBondContact O-OG 2.82Å; L231-S234 PolarHBondContact O-N 2.72Å; L231-S234 PolarHBondContact O-OG 3.22Å; Q232-S234 VanDerWaalsContact C-N 3.29Å; Q232-S234 PolarHBondContact O-N 3.15Å; S234-K238 WeakPolarHBondContact O-CG 3.49Å
235Q93.5Very high94.1Very high127 Ų12781.9 Ų81.959%0.59340%0.4SS*.Hα-helixtrans-81.9-35.6175.1-67.5170.60.800111.6L231 Q232 F233L231-Q235 WeakPolarHBondContact O-CG 3.31Å; L231-Q235 PolarHBondContact O-N 2.79Å; Q232-Q235 WeakPolarHBondContact O-CB 3.47Å; Q232-Q235 PolarHBondContact O-N 3.13Å; F233-Q235 PolarHBondContact O-N 3.03Å
236E93.4Very high93.8Very high129 Ų12986.2 Ų86.260%0.60341%0.411SS*.Hα-helixtrans-72.1-44.5177.5-67.9173.1-172.200111.9Q232 F233Q232-E236 WeakPolarHBondContact CG-OE1 3.38Å; Q232-E236 PolarHBondContact NE2-OE1 3.44Å; Q232-E236 PolarHBondContact O-N 2.64Å; Q232-E236 VanDerWaalsContact O-N 3.15Å; F233-E236 PolarHBondContact O-N 2.82Å
237D90.3Very high93.3Very high77 Ų7784.5 Ų84.541%0.41240%0.402SS..  trans-125.477.5178.4-167.2-15.4000112.2F233 K239 L240 Y241F233-D237 PolarHBondContact O-N 2.95Å; D237-K239 PolarHBondContact O-N 2.8Å; D237-K239 PolarHBondContact OD1-N 3.03Å; D237-L240 HydrophobicContact CB-CB 4.09Å; D237-L240 PolarHBondContact O-N 3.44Å; D237-L240 PolarHBondContact OD1-N 2.83Å; D237-L240 WeakPolarHBondContact OD2-CB 3.48Å; D237-Y241 WeakPolarHBondContact O-CD2 3.15Å
238K88.2Confident92.6Very high138 Ų13888.1 Ų88.160%0.643%0.43SS*.Hα-helixtrans-57.3-35.9178.7-67.5-177.1-179.6-179.20113.1S234 Y241 E242S234-K238 WeakPolarHBondContact O-CG 3.49Å; K238-Y241 PolarHBondContact O-N 2.94Å; K238-E242 WeakPolarHBondContact O-CG 3.42Å; K238-E242 PolarHBondContact O-N 2.73Å; K238-E242 VanDerWaalsContact O-N 3.16Å
239K88.6Confident92Very high177 Ų17791.7 Ų91.777%0.7744%0.439SS*.Hα-helixtrans-70.6-35.4-174.6-72.9-174.8178.3-179.90111.9D237 Y241 E242D237-K239 PolarHBondContact O-N 2.8Å; D237-K239 PolarHBondContact OD1-N 3.03Å; K239-Y241 PolarHBondContact O-N 3.4Å; K239-E242 PolarHBondContact O-N 2.99Å
240L89.2Confident91.5Very high125 Ų12587.6 Ų87.665%0.65443%0.431SS*.Hα-helixtrans-63.5-31.6176.5-17865.2000112.6D237D237-L240 HydrophobicContact CB-CB 4.09Å; D237-L240 PolarHBondContact O-N 3.44Å; D237-L240 PolarHBondContact OD1-N 2.83Å; D237-L240 WeakPolarHBondContact OD2-CB 3.48Å
241Y91.2Very high91.1Very high24 Ų2490.7 Ų90.79%0.09445%0.446CS..Hα-helixtrans-91.8-18.6-176.7-78.1-93.7000114.1Y222 E230 F233 D237 K238 K239 R259 F260Y222-Y241 WeakPolarHBondContact OH-CE1 3.05Å; E230-Y241 HydrophobicContact CG-CE1 3.96Å; E230-Y241 WeakPolarHBondContact OE1-CE1 3.4Å; E230-Y241 VanDerWaalsContact OE1-CZ 3.24Å; E230-Y241 PolarHBondContact OE1-OH 3.45Å; F233-Y241 HydrophobicContact CB-CE2 4.1Å; D237-Y241 WeakPolarHBondContact O-CD2 3.15Å; K238-Y241 PolarHBondContact O-N 2.94Å; K239-Y241 PolarHBondContact O-N 3.4Å; Y241-R259 PolarHBondContact O-NH1 3.44Å; Y241-F260 HydrophobicContact CD1-CD1 4.36Å; Y241-F260 AromaticContact CD1-CE1 3.84Å; Y241-F260 HydrophobicContact CD1-CE1 3.84Å; Y241-F260 HydrophobicContact CE1-CE1 4.01Å
242E93.7Very high90.9Very high68 Ų6893.1 Ų93.132%0.31846%0.459SS..  trans-71129.4179.5-83.2175.1-177.800112.3R200 K238 K239 I255R200-E242 IonicContact CZ-OE1 3.08Å; R200-E242 IonicContact NH2-OE1 3.4Å; R200-E242 PolarHBondContact NH2-OE1 3.14Å; K238-E242 WeakPolarHBondContact O-CG 3.42Å; K238-E242 PolarHBondContact O-N 2.73Å; K238-E242 VanDerWaalsContact O-N 3.16Å; K239-E242 PolarHBondContact O-N 2.99Å; E242-I255 CarbonylContact C-O 3.53Å; E242-I255 WeakPolarHBondContact CA-O 3.4Å
243M93.8Very high90.6Very high81 Ų8188.4 Ų88.440%0.39944%0.437SS..EExtended strand (participates in β ladder)trans-120.4139.6164.6-72.4-17090.600109.8L220 I255 R259L220-M243 HydrophobicContact CD2-CE 4.3Å; L220-M243 HydrophobicContact CD2-SD 4.04Å; M243-I255 PolarHBondContact N-O 3.38Å; M243-I255 PolarHBondContact O-N 3.29Å; M243-R259 PolarHBondContact SD-NH2 3.5Å
244T92.4Very high90.5Very high85 Ų8586.2 Ų86.252%0.52143%0.43SS..EExtended strand (participates in β ladder)trans-89.8127.8176-52.70000109.8L252 L253 N254T244-L252 HydrophobicContact CG2-CB 3.68Å; T244-L252 HydrophobicContact CG2-CD1 3.99Å; T244-L252 HydrophobicContact CG2-CD2 3.9Å; T244-L252 HydrophobicContact CG2-CG 4.04Å; T244-L253 CarbonylContact C-O 3.45Å; T244-L253 WeakPolarHBondContact CA-O 3.28Å; T244-N254 PolarHBondContact OG1-OD1 3.5Å
245Y92.8Very high90.5Very high39 Ų3985.9 Ų85.915%0.15343%0.427CS..EExtended strand (participates in β ladder)trans-112.5130.5175.2-178.9-90.6000109.4I212 D215 V216 L220 L247 L252 L253 I255I212-Y245 HydrophobicContact CG2-CE1 3.97Å; D215-Y245 VanDerWaalsContact OD2-CE2 3.24Å; D215-Y245 WeakPolarHBondContact OD2-CE2 3.43Å; D215-Y245 PolarHBondContact OD2-OH 3.02Å; V216-Y245 HydrophobicContact CG2-CD1 3.9Å; V216-Y245 HydrophobicContact CG2-CD2 3.81Å; V216-Y245 HydrophobicContact CG2-CE1 4.02Å; V216-Y245 HydrophobicContact CG2-CE2 3.92Å; V216-Y245 HydrophobicContact CG2-CG 3.8Å; L220-Y245 HydrophobicContact CD1-CD2 3.92Å; L220-Y245 HydrophobicContact CD1-CG 4.36Å; Y245-L247 HydrophobicContact CD1-CD2 3.92Å; Y245-L247 HydrophobicContact CE1-CD2 3.8Å; Y245-L252 WeakPolarHBondContact O-CA 3.44Å; Y245-L253 PolarHBondContact N-O 3.47Å; Y245-L253 PolarHBondContact O-N 2.87Å; Y245-I255 HydrophobicContact CG-CD1 4.4Å
246R92.4Very high90.7Very high182 Ų18280 Ų8069%0.68740%0.401SS*.EExtended strand (participates in β ladder)trans-94.5121.5-179.9176174.5-98.8177.8-5.9110.1L252R246-L252 HydrophobicContact CB-CD2 3.82Å; R246-L252 HydrophobicContact CG-CD2 4.15Å
247L87.3Confident90.8Very high16 Ų1675 Ų758%0.08438%0.38CS..  trans-71.8159.5172.6-64.2-168.4000111.6I212 Y245 D249 G250 Q251 L253I212-L247 HydrophobicContact CD1-CD2 4.06Å; I212-L247 HydrophobicContact CG2-CD2 3.58Å; Y245-L247 HydrophobicContact CD1-CD2 3.92Å; Y245-L247 HydrophobicContact CE1-CD2 3.8Å; L247-D249 WeakPolarHBondContact CB-OD1 3.07Å; L247-D249 PolarHBondContact O-N 3.11Å; L247-G250 WeakPolarHBondContact O-CA 3.49Å; L247-G250 PolarHBondContact O-N 3.03Å; L247-Q251 HydrophobicContact CB-CB 4.38Å; L247-Q251 WeakPolarHBondContact CB-O 3.43Å; L247-Q251 HydrophobicContact CD1-CB 4.12Å; L247-Q251 HydrophobicContact CD1-CG 4.43Å; L247-Q251 HydrophobicContact CG-CB 4.46Å; L247-Q251 PolarHBondContact N-O 3.17Å; L247-L253 HydrophobicContact CD1-CD1 4.32Å; L247-L253 HydrophobicContact CD1-CD2 4.21Å; L247-L253 HydrophobicContact CD1-CG 4.13Å; L247-L253 HydrophobicContact CD2-CD1 3.62Å; L247-L253 HydrophobicContact CD2-CG 3.94Å; L247-L253 HydrophobicContact CG-CD1 4.19Å; L247-L253 HydrophobicContact CG-CG 3.98Å
248P82.6Confident91.1Very high118 Ų11871.9 Ų71.977%0.76636%0.363SS*.THydrogen-bonded Turntrans-58.2-28.3176.5-26.535.8000114.7G250P248-G250 PolarHBondContact O-N 3.31Å
249D84.8Confident91.6Very high119 Ų11966.4 Ų66.464%0.63634%0.339SS*.THydrogen-bonded Turntrans-80.6-2.2175.164.54.1000113.5L247 Q251L247-D249 WeakPolarHBondContact CB-OD1 3.07Å; L247-D249 PolarHBondContact O-N 3.11Å; D249-Q251 VanDerWaalsContact OD1-CB 3.27Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.46Å; D249-Q251 PolarHBondContact OD1-N 3.32Å
250G86.9Confident92Very high35 Ų3558 Ų5836%0.36130%0.302SS..SBendtrans91.5-9.4-179.100000115L247 P248L247-G250 WeakPolarHBondContact O-CA 3.49Å; L247-G250 PolarHBondContact O-N 3.03Å; P248-G250 PolarHBondContact O-N 3.31Å
251Q88.6Confident92.5Very high110 Ų11054.2 Ų54.251%0.51428%0.279SS..  trans-62.9147.8176.3-178177.34.400110.8L247 D249L247-Q251 HydrophobicContact CB-CB 4.38Å; L247-Q251 WeakPolarHBondContact CB-O 3.43Å; L247-Q251 HydrophobicContact CD1-CB 4.12Å; L247-Q251 HydrophobicContact CD1-CG 4.43Å; L247-Q251 HydrophobicContact CG-CB 4.46Å; L247-Q251 PolarHBondContact N-O 3.17Å; D249-Q251 VanDerWaalsContact OD1-CB 3.27Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.46Å; D249-Q251 PolarHBondContact OD1-N 3.32Å
252L91.3Very high92.8Very high92 Ų9253 Ų5348%0.48228%0.275SS..EExtended strand (participates in β ladder)trans-105.4128.2-179.5-59.9-179.2000110.8T244 Y245 R246T244-L252 HydrophobicContact CG2-CB 3.68Å; T244-L252 HydrophobicContact CG2-CD1 3.99Å; T244-L252 HydrophobicContact CG2-CD2 3.9Å; T244-L252 HydrophobicContact CG2-CG 4.04Å; Y245-L252 WeakPolarHBondContact O-CA 3.44Å; R246-L252 HydrophobicContact CB-CD2 3.82Å; R246-L252 HydrophobicContact CG-CD2 4.15Å
253L91.2Very high93Very high4 Ų449.8 Ų49.82%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-102.1131.7170-60.6-174.8000109.5Y202 T244 Y245 L247 I255Y202-L253 HydrophobicContact CD1-CD2 3.44Å; Y202-L253 VanDerWaalsContact CD1-CD2 3.44Å; Y202-L253 HydrophobicContact CD2-CD2 4.3Å; Y202-L253 HydrophobicContact CE1-CD2 3.5Å; Y202-L253 VanDerWaalsContact CE1-CD2 3.5Å; Y202-L253 HydrophobicContact CE2-CD2 4.34Å; Y202-L253 HydrophobicContact CG-CD2 3.86Å; T244-L253 CarbonylContact C-O 3.45Å; T244-L253 WeakPolarHBondContact CA-O 3.28Å; Y245-L253 PolarHBondContact N-O 3.47Å; Y245-L253 PolarHBondContact O-N 2.87Å; L247-L253 HydrophobicContact CD1-CD1 4.32Å; L247-L253 HydrophobicContact CD1-CD2 4.21Å; L247-L253 HydrophobicContact CD1-CG 4.13Å; L247-L253 HydrophobicContact CD2-CD1 3.62Å; L247-L253 HydrophobicContact CD2-CG 3.94Å; L247-L253 HydrophobicContact CG-CD1 4.19Å; L247-L253 HydrophobicContact CG-CG 3.98Å; L253-I255 HydrophobicContact CB-CD1 4.47Å; L253-I255 HydrophobicContact CB-CG1 4.29Å
254N93.5Very high93.3Very high57 Ų5746.3 Ų46.331%0.30524%0.242SC..EExtended strand (participates in β ladder)trans-100119.1172.8-70.6-24.9000109.4R200 Y202 T244R200-N254 PolarHBondContact NE-O 3.06Å; R200-N254 VanDerWaalsContact NE-O 3.16Å; Y202-N254 PolarHBondContact OH-N 2.86Å; Y202-N254 VanDerWaalsContact OH-N 3.14Å; T244-N254 PolarHBondContact OG1-OD1 3.5Å
255I95.4Very high93.5Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-120.7116.2-171.8-47.7175.1000107.6L197 V216 L220 E242 M243 Y245 L253 E258 R259L197-I255 HydrophobicContact CD2-CG1 4.25Å; L197-I255 HydrophobicContact CD2-CG2 4.24Å; V216-I255 HydrophobicContact CB-CD1 4.24Å; V216-I255 HydrophobicContact CG1-CD1 3.44Å; V216-I255 VanDerWaalsContact CG1-CD1 3.44Å; V216-I255 HydrophobicContact CG1-CG2 4.44Å; V216-I255 HydrophobicContact CG2-CD1 3.67Å; L220-I255 HydrophobicContact CD1-CD1 3.9Å; E242-I255 CarbonylContact C-O 3.53Å; E242-I255 WeakPolarHBondContact CA-O 3.4Å; M243-I255 PolarHBondContact N-O 3.38Å; M243-I255 PolarHBondContact O-N 3.29Å; Y245-I255 HydrophobicContact CG-CD1 4.4Å; L253-I255 HydrophobicContact CB-CD1 4.47Å; L253-I255 HydrophobicContact CB-CG1 4.29Å; I255-E258 HydrophobicContact CG2-CB 4.18Å; I255-R259 HydrophobicContact CB-CG 4.44Å; I255-R259 HydrophobicContact CG2-CG 3.72Å; I255-R259 WeakPolarHBondContact O-CD 3.43Å
256G96Very high93.8Very high4 Ų440.6 Ų40.64%0.04121%0.211CC..  trans-109.3-114.5-174.500000111.4E258 R259G256-E258 WeakPolarHBondContact CA-OE2 3.36Å; G256-E258 PolarHBondContact N-OE2 3.14Å; G256-E258 PolarHBondContact O-N 3.15Å; G256-E258 VanDerWaalsContact O-N 3.13Å; G256-R259 WeakPolarHBondContact O-CB 3.35Å; G256-R259 WeakPolarHBondContact O-CD 3.31Å; G256-R259 VanDerWaalsContact O-CG 3.24Å; G256-R259 WeakPolarHBondContact O-CG 3.4Å; G256-R259 PolarHBondContact O-N 3.23Å; G256-R259 VanDerWaalsContact O-N 3.15Å
257S96.8Very high94.1Very high24 Ų2432.2 Ų32.217%0.16818%0.179CC..THydrogen-bonded Turntrans-64.3-18-175.362.90000114R259 F260 R261S257-R259 PolarHBondContact O-N 3.16Å; S257-F260 VanDerWaalsContact CA-CE1 3.47Å; S257-F260 PolarHBondContact O-N 2.98Å; S257-F260 VanDerWaalsContact O-N 3.13Å; S257-R261 WeakPolarHBondContact O-CB 3.5Å; S257-R261 VanDerWaalsContact O-CG 3.25Å; S257-R261 WeakPolarHBondContact O-CG 3.42Å; S257-R261 PolarHBondContact O-N 2.87Å; S257-R261 WeakPolarHBondContact OG-CD 3.19Å
258E97Very high94.6Very high12 Ų1234.1 Ų34.16%0.05619%0.19CC..Hα-helixtrans-55.4-27.3174.4-53.782-17400112L193 L196 R200 I255 G256 F260 A262L193-E258 HydrophobicContact CD1-CB 3.92Å; L196-E258 HydrophobicContact CB-CB 4.09Å; L196-E258 HydrophobicContact CB-CG 3.7Å; L196-E258 HydrophobicContact CD1-CB 4.24Å; R200-E258 WeakPolarHBondContact CD-OE1 3.5Å; R200-E258 IonicContact NH1-OE1 2.67Å; R200-E258 PolarHBondContact NH1-OE1 3.03Å; R200-E258 IonicContact NH1-OE2 3.54Å; R200-E258 PolarHBondContact NH1-OE2 3Å; R200-E258 VanDerWaalsContact NH1-OE2 3.14Å; I255-E258 HydrophobicContact CG2-CB 4.18Å; G256-E258 WeakPolarHBondContact CA-OE2 3.36Å; G256-E258 PolarHBondContact N-OE2 3.14Å; G256-E258 PolarHBondContact O-N 3.15Å; G256-E258 VanDerWaalsContact O-N 3.13Å; E258-F260 VanDerWaalsContact C-N 3.34Å; E258-F260 PolarHBondContact O-N 3.29Å; E258-A262 WeakPolarHBondContact O-CB 3.3Å; E258-A262 PolarHBondContact O-N 2.9Å
259R97.9Very high95.3Very high23 Ų2328.5 Ų28.59%0.08715%0.154CC..Hα-helixtrans-60-38178.5-66.3169.258.5-153.51.5113.6L220 C221 Y222 Y241 M243 I255 G256 S257 P263L220-R259 HydrophobicContact CB-CG 4.38Å; L220-R259 PolarHBondContact O-NE 3.25Å; C221-R259 CarbonylContact C-O 3.58Å; C221-R259 WeakPolarHBondContact CA-O 3.25Å; C221-R259 WeakPolarHBondContact CB-O 3.43Å; C221-R259 PolarHBondContact SG-O 2.96Å; C221-R259 VanDerWaalsContact SG-O 3.36Å; Y222-R259 HydrophobicContact CD1-CB 4.24Å; Y222-R259 HydrophobicContact CE1-CB 3.93Å; Y222-R259 PolarHBondContact N-O 3.37Å; Y241-R259 PolarHBondContact O-NH1 3.44Å; M243-R259 PolarHBondContact SD-NH2 3.5Å; I255-R259 HydrophobicContact CB-CG 4.44Å; I255-R259 HydrophobicContact CG2-CG 3.72Å; I255-R259 WeakPolarHBondContact O-CD 3.43Å; G256-R259 WeakPolarHBondContact O-CB 3.35Å; G256-R259 WeakPolarHBondContact O-CD 3.31Å; G256-R259 VanDerWaalsContact O-CG 3.24Å; G256-R259 WeakPolarHBondContact O-CG 3.4Å; G256-R259 PolarHBondContact O-N 3.23Å; G256-R259 VanDerWaalsContact O-N 3.15Å; S257-R259 PolarHBondContact O-N 3.16Å; R259-P263 VanDerWaalsContact O-CD 3.25Å; R259-P263 WeakPolarHBondContact O-CD 3.35Å
260F98.1Very high95.9Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-106.8-22.1177.265.4-95.4000113.2Y222 A224 Y227 E230 L231 Y241 S257 E258 E264Y222-F260 HydrophobicContact CD2-CB 4.23Å; Y222-F260 HydrophobicContact CE1-CB 4.33Å; Y222-F260 HydrophobicContact CE1-CD1 4.49Å; Y222-F260 HydrophobicContact CE2-CB 3.82Å; Y222-F260 HydrophobicContact CE2-CD1 4.44Å; Y222-F260 HydrophobicContact CE2-CG 4.47Å; Y222-F260 AromaticContact CZ-CD1 3.87Å; Y222-F260 VanDerWaalsContact O-CA 3.29Å; Y222-F260 WeakPolarHBondContact O-CA 3.13Å; Y222-F260 WeakPolarHBondContact OH-CD1 3.36Å; A224-F260 HydrophobicContact CB-CB 4.22Å; A224-F260 HydrophobicContact CB-CD2 4.3Å; A224-F260 HydrophobicContact CB-CG 4.47Å; Y227-F260 HydrophobicContact CD2-CD2 4.04Å; Y227-F260 HydrophobicContact CD2-CE2 4.27Å; Y227-F260 HydrophobicContact CE2-CD2 4.1Å; Y227-F260 HydrophobicContact CE2-CE2 4.14Å; E230-F260 HydrophobicContact CB-CD2 4.25Å; E230-F260 HydrophobicContact CB-CE2 4Å; E230-F260 HydrophobicContact CB-CZ 4.22Å; E230-F260 HydrophobicContact CG-CD1 3.96Å; E230-F260 HydrophobicContact CG-CD2 4.04Å; E230-F260 HydrophobicContact CG-CE1 3.89Å; E230-F260 HydrophobicContact CG-CE2 4.01Å; E230-F260 HydrophobicContact CG-CG 4.02Å; E230-F260 HydrophobicContact CG-CZ 3.92Å; L231-F260 HydrophobicContact CB-CE2 4.22Å; L231-F260 HydrophobicContact CD1-CE2 4.37Å; L231-F260 HydrophobicContact CD1-CZ 4.42Å; Y241-F260 HydrophobicContact CD1-CD1 4.36Å; Y241-F260 AromaticContact CD1-CE1 3.84Å; Y241-F260 HydrophobicContact CD1-CE1 3.84Å; Y241-F260 HydrophobicContact CE1-CE1 4.01Å; S257-F260 VanDerWaalsContact CA-CE1 3.47Å; S257-F260 PolarHBondContact O-N 2.98Å; S257-F260 VanDerWaalsContact O-N 3.13Å; E258-F260 VanDerWaalsContact C-N 3.34Å; E258-F260 PolarHBondContact O-N 3.29Å; F260-E264 PolarHBondContact O-N 3.2Å
261R98.3Very high96.3Very high45 Ų4530.2 Ų30.217%0.1715%0.148CC..Hα-helixtrans-64.8-40.1171.7-70.4172.767.6-158.11.1112Y192 L196 E199 Y227 L231 S257 E264Y192-R261 WeakPolarHBondContact CE1-O 3.43Å; L196-R261 HydrophobicContact CD1-CB 3.61Å; E199-R261 IonicContact OE2-CZ 2.72Å; E199-R261 IonicContact OE2-NH1 3.86Å; E199-R261 PolarHBondContact OE2-NH1 3.46Å; E199-R261 IonicContact OE2-NH2 3.83Å; E199-R261 PolarHBondContact OE2-NH2 2.92Å; E199-R261 VanDerWaalsContact OE2-NH2 3.15Å; Y227-R261 HydrophobicContact CE2-CG 4.01Å; L231-R261 HydrophobicContact CD1-CG 4.43Å; S257-R261 WeakPolarHBondContact O-CB 3.5Å; S257-R261 VanDerWaalsContact O-CG 3.25Å; S257-R261 WeakPolarHBondContact O-CG 3.42Å; S257-R261 PolarHBondContact O-N 2.87Å; S257-R261 WeakPolarHBondContact OG-CD 3.19Å; R261-E264 WeakPolarHBondContact O-CB 3.5Å; R261-E264 PolarHBondContact O-N 2.83Å
262A98.4Very high96.6Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-64.8-51-17800000113.2V189 L193 L196 E258 E264 L265V189-A262 HydrophobicContact CG1-CB 4.25Å; L193-A262 HydrophobicContact CB-CB 3.76Å; L193-A262 HydrophobicContact CD1-CB 4.03Å; L193-A262 HydrophobicContact CG-CB 4.42Å; L196-A262 HydrophobicContact CD1-CB 4.15Å; E258-A262 WeakPolarHBondContact O-CB 3.3Å; E258-A262 PolarHBondContact O-N 2.9Å; A262-E264 VanDerWaalsContact C-N 3.26Å; A262-E264 PolarHBondContact O-N 3.28Å; A262-L265 VanDerWaalsContact O-CB 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.39Å; A262-L265 PolarHBondContact O-N 3.04Å
263P98.5Very high96.8Very high0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-68.5-20.2176.6-21.535.3000114.3C221 V223 R259 L265 M266 F311C221-P263 HydrophobicContact CB-CG 3.63Å; V223-P263 HydrophobicContact CG2-CB 3.87Å; R259-P263 VanDerWaalsContact O-CD 3.25Å; R259-P263 WeakPolarHBondContact O-CD 3.35Å; P263-L265 PolarHBondContact O-N 2.7Å; P263-L265 VanDerWaalsContact O-N 3.09Å; P263-M266 WeakPolarHBondContact O-CB 3.43Å; P263-M266 PolarHBondContact O-N 2.95Å; P263-F311 HydrophobicContact CB-CD1 4.31Å; P263-F311 HydrophobicContact CB-CD2 4.11Å; P263-F311 HydrophobicContact CB-CE1 4.34Å; P263-F311 HydrophobicContact CB-CE2 4.13Å; P263-F311 HydrophobicContact CB-CG 4.21Å; P263-F311 HydrophobicContact CB-CZ 4.24Å; P263-F311 HydrophobicContact CG-CD1 3.91Å; P263-F311 HydrophobicContact CG-CE1 3.77Å; P263-F311 HydrophobicContact CG-CE2 4.41Å; P263-F311 HydrophobicContact CG-CG 4.3Å; P263-F311 HydrophobicContact CG-CZ 4.04Å
264E98.6Very high97Very high7 Ų728.9 Ų28.93%0.03316%0.161CC..Hα-helixtrans-57.7-23.5174.9-170.364.7-165.900111.4Y227 F260 R261 A262 M266 F267 D268 L271 R317Y227-E264 HydrophobicContact CD1-CG 4.28Å; Y227-E264 HydrophobicContact CD2-CB 3.82Å; Y227-E264 HydrophobicContact CD2-CG 3.45Å; Y227-E264 VanDerWaalsContact CD2-CG 3.45Å; Y227-E264 HydrophobicContact CE2-CB 3.89Å; Y227-E264 HydrophobicContact CE2-CG 3.78Å; Y227-E264 HydrophobicContact CG-CG 3.73Å; F260-E264 PolarHBondContact O-N 3.2Å; R261-E264 WeakPolarHBondContact O-CB 3.5Å; R261-E264 PolarHBondContact O-N 2.83Å; A262-E264 VanDerWaalsContact C-N 3.26Å; A262-E264 PolarHBondContact O-N 3.28Å; E264-M266 PolarHBondContact O-N 3.3Å; E264-F267 CarbonylContact O-C 3.34Å; E264-F267 WeakPolarHBondContact O-CA 3.29Å; E264-F267 PolarHBondContact O-N 3.17Å; E264-D268 PolarHBondContact O-N 3.49Å; E264-L271 HydrophobicContact CB-CD1 4.13Å; E264-L271 HydrophobicContact CG-CD1 3.75Å; E264-R317 IonicContact OE1-CZ 3.77Å; E264-R317 IonicContact OE1-NH1 3.24Å; E264-R317 PolarHBondContact OE1-NH1 2.94Å; E264-R317 IonicContact OE1-NH2 3.11Å; E264-R317 PolarHBondContact OE1-NH2 2.83Å; E264-R317 IonicContact OE2-CZ 2.64Å; E264-R317 IonicContact OE2-NH1 3.14Å; E264-R317 PolarHBondContact OE2-NH1 3.34Å; E264-R317 IonicContact OE2-NH2 2.73Å
265L98Very high97.1Very high0 Ų035.7 Ų35.70%019%0.191CC..THydrogen-bonded Turntrans-51.1-30.9172.6-171.866.5000113.5L184 E188 V189 Y192 A262 P263 F267 D268 P269 A272 Y274L184-L265 HydrophobicContact CD1-CD2 3.67Å; L184-L265 HydrophobicContact CD1-CG 3.81Å; E188-L265 HydrophobicContact CB-CD2 4.19Å; V189-L265 HydrophobicContact CG2-CD2 4.48Å; Y192-L265 HydrophobicContact CD1-CB 4.08Å; Y192-L265 HydrophobicContact CD1-CD1 4.47Å; Y192-L265 HydrophobicContact CD1-CD2 4.33Å; Y192-L265 HydrophobicContact CG-CD2 4.29Å; A262-L265 VanDerWaalsContact O-CB 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.39Å; A262-L265 PolarHBondContact O-N 3.04Å; P263-L265 PolarHBondContact O-N 2.7Å; P263-L265 VanDerWaalsContact O-N 3.09Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.3Å; L265-D268 CarbonylContact O-C 3.59Å; L265-P269 VanDerWaalsContact O-CA 3.31Å; L265-P269 WeakPolarHBondContact O-CA 3.4Å; L265-P269 WeakPolarHBondContact O-CD 3.31Å; L265-P269 WeakPolarHBondContact O-CG 3.4Å; L265-A272 HydrophobicContact CD1-CB 3.44Å; L265-A272 VanDerWaalsContact CD1-CB 3.44Å; L265-A272 HydrophobicContact CD2-CB 4.46Å; L265-Y274 HydrophobicContact CD1-CD2 4.1Å; L265-Y274 HydrophobicContact CD1-CE2 4.31Å; L265-Y274 HydrophobicContact CD2-CE2 4.33Å
266M98.2Very high97Very high4 Ų438.4 Ų38.42%0.0220%0.204CC..THydrogen-bonded Turntrans-68.7-27.7176.1-62.3-58.6-64.900112.8C159 L184 V189 P263 E264 I279 F314C159-M266 WeakPolarHBondContact SG-CE 3.34Å; L184-M266 HydrophobicContact CG-SD 4.33Å; V189-M266 HydrophobicContact CG2-CG 4.12Å; V189-M266 HydrophobicContact CG2-SD 4Å; P263-M266 WeakPolarHBondContact O-CB 3.43Å; P263-M266 PolarHBondContact O-N 2.95Å; E264-M266 PolarHBondContact O-N 3.3Å; M266-I279 WeakPolarHBondContact O-CB 3.49Å; M266-I279 WeakPolarHBondContact O-CG2 3.33Å; M266-I279 PolarHBondContact O-N 3Å; M266-F314 HydrophobicContact CB-CE2 4.41Å
267F98.5Very high97.1Very high6 Ų641.5 Ų41.53%0.02622%0.219CC..THydrogen-bonded Turntrans-100.2-30.6-179.2-68.2-93.1000112.3V223 E264 L265 G278 I279 H280 F314 R317 L318 E321V223-F267 HydrophobicContact CG1-CD2 4.18Å; V223-F267 HydrophobicContact CG1-CE2 3.64Å; V223-F267 HydrophobicContact CG1-CZ 4.18Å; V223-F267 HydrophobicContact CG2-CE2 4.08Å; E264-F267 CarbonylContact O-C 3.34Å; E264-F267 WeakPolarHBondContact O-CA 3.29Å; E264-F267 PolarHBondContact O-N 3.17Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.3Å; F267-G278 WeakPolarHBondContact O-CA 3.42Å; F267-I279 HydrophobicContact CD1-CG2 4.22Å; F267-I279 HydrophobicContact CE1-CG2 4Å; F267-I279 HydrophobicContact CE2-CG2 4.46Å; F267-I279 HydrophobicContact CZ-CG2 4.13Å; F267-H280 AromaticContact CD1-ND1 3.57Å; F267-H280 PolarHBondContact O-CE1 2.85Å; F267-H280 VanDerWaalsContact O-CE1 3.25Å; F267-F314 HydrophobicContact CE2-CD2 4.08Å; F267-F314 HydrophobicContact CE2-CE2 4.1Å; F267-F314 HydrophobicContact CZ-CD2 4.39Å; F267-F314 HydrophobicContact CZ-CE2 4.35Å; F267-R317 HydrophobicContact CD1-CG 3.93Å; F267-R317 HydrophobicContact CE1-CB 4.3Å; F267-R317 HydrophobicContact CE1-CG 3.55Å; F267-R317 HydrophobicContact CE2-CG 4.16Å; F267-R317 HydrophobicContact CG-CG 4.41Å; F267-R317 HydrophobicContact CZ-CB 4.08Å; F267-R317 HydrophobicContact CZ-CG 3.68Å; F267-L318 HydrophobicContact CE1-CB 4.32Å; F267-L318 HydrophobicContact CE1-CD1 4.41Å; F267-L318 HydrophobicContact CZ-CB 4.32Å; F267-E321 HydrophobicContact CD1-CG 4.35Å; F267-E321 HydrophobicContact CE1-CG 4.48Å
268D98Very high97.1Very high57 Ų5740.6 Ų40.631%0.30521%0.214SC..  trans-13483.3172-170.910.2000111.6E264 L265 K270 L271E264-D268 PolarHBondContact O-N 3.49Å; L265-D268 CarbonylContact O-C 3.59Å; D268-K270 PolarHBondContact O-N 3.25Å; D268-K270 VanDerWaalsContact O-N 3.11Å; D268-K270 WeakPolarHBondContact OD1-CB 3.27Å; D268-K270 PolarHBondContact OD1-N 2.9Å; D268-L271 HydrophobicContact CB-CD1 3.99Å; D268-L271 HydrophobicContact CB-CG 4Å; D268-L271 WeakPolarHBondContact O-CB 3.2Å; D268-L271 WeakPolarHBondContact O-CG 3.39Å; D268-L271 PolarHBondContact O-N 2.95Å
269P98.1Very high97.2Very high0 Ų040 Ų400%021%0.211CC..G310 helixtrans-59.8-22.2179.3-2636.1000114L184 L265 L271 A272 Y274 M276L184-P269 HydrophobicContact CD2-CB 3.8Å; L184-P269 HydrophobicContact CD2-CG 3.6Å; L265-P269 VanDerWaalsContact O-CA 3.31Å; L265-P269 WeakPolarHBondContact O-CA 3.4Å; L265-P269 WeakPolarHBondContact O-CD 3.31Å; L265-P269 WeakPolarHBondContact O-CG 3.4Å; P269-L271 PolarHBondContact O-N 3.13Å; P269-A272 PolarHBondContact O-N 2.77Å; P269-Y274 WeakPolarHBondContact O-CB 3.38Å; P269-Y274 WeakPolarHBondContact O-CD2 3.49Å; P269-Y274 PolarHBondContact O-N 2.9Å; P269-M276 HydrophobicContact CB-CG 3.58Å; P269-M276 HydrophobicContact CB-SD 4.38Å; P269-M276 HydrophobicContact CG-CG 3.83Å
270K97.4Very high97.2Very high132 Ų13240.3 Ų40.357%0.57421%0.214SC*.G310 helixtrans-65.9-21.4-178.3-60170.4-176.11720111.9D268 A272 G273D268-K270 PolarHBondContact O-N 3.25Å; D268-K270 VanDerWaalsContact O-N 3.11Å; D268-K270 WeakPolarHBondContact OD1-CB 3.27Å; D268-K270 PolarHBondContact OD1-N 2.9Å; K270-A272 PolarHBondContact O-N 2.92Å; K270-A272 VanDerWaalsContact O-N 3.16Å; K270-G273 PolarHBondContact O-N 3.38Å
271L95.3Very high97.2Very high58 Ų5841.9 Ų41.930%0.30422%0.223SC..G310 helixtrans-59.1-23174.8-65.6177000113.9Y192 E264 D268 P269Y192-L271 HydrophobicContact CE1-CB 4.48Å; Y192-L271 PolarHBondContact OH-O 3.38Å; E264-L271 HydrophobicContact CB-CD1 4.13Å; E264-L271 HydrophobicContact CG-CD1 3.75Å; D268-L271 HydrophobicContact CB-CD1 3.99Å; D268-L271 HydrophobicContact CB-CG 4Å; D268-L271 WeakPolarHBondContact O-CB 3.2Å; D268-L271 WeakPolarHBondContact O-CG 3.39Å; D268-L271 PolarHBondContact O-N 2.95Å; P269-L271 PolarHBondContact O-N 3.13Å
272A94.5Very high97.2Very high41 Ų4139.7 Ų39.734%0.33922%0.215SC..G310 helixtrans-117.721172.700000112.8Y192 L265 P269 K270 Y274Y192-A272 HydrophobicContact CD2-CB 3.72Å; Y192-A272 HydrophobicContact CE2-CB 3.98Å; Y192-A272 HydrophobicContact CG-CB 4.22Å; L265-A272 HydrophobicContact CD1-CB 3.44Å; L265-A272 VanDerWaalsContact CD1-CB 3.44Å; L265-A272 HydrophobicContact CD2-CB 4.46Å; P269-A272 PolarHBondContact O-N 2.77Å; K270-A272 PolarHBondContact O-N 2.92Å; K270-A272 VanDerWaalsContact O-N 3.16Å; A272-Y274 HydrophobicContact CB-CD2 3.95Å; A272-Y274 HydrophobicContact CB-CE2 3.81Å
273G95Very high97.2Very high64 Ų6439.7 Ų39.766%0.6622%0.215SC*.THydrogen-bonded Turntrans80.314.3175.200000115.4K270K270-G273 PolarHBondContact O-N 3.38Å
274Y95.7Very high97.2Very high73 Ų7340.8 Ų40.829%0.28622%0.22SC..  trans-81.1126.4174.8-64-88.7000111.2L184 E188 L265 P269 A272 M276L184-Y274 HydrophobicContact CD1-CD2 4.11Å; L184-Y274 HydrophobicContact CD1-CE1 4.49Å; L184-Y274 HydrophobicContact CD1-CE2 3.92Å; L184-Y274 HydrophobicContact CD1-CG 4.49Å; E188-Y274 HydrophobicContact CG-CE1 4.49Å; E188-Y274 WeakPolarHBondContact CG-OH 3.4Å; L265-Y274 HydrophobicContact CD1-CD2 4.1Å; L265-Y274 HydrophobicContact CD1-CE2 4.31Å; L265-Y274 HydrophobicContact CD2-CE2 4.33Å; P269-Y274 WeakPolarHBondContact O-CB 3.38Å; P269-Y274 WeakPolarHBondContact O-CD2 3.49Å; P269-Y274 PolarHBondContact O-N 2.9Å; A272-Y274 HydrophobicContact CB-CD2 3.95Å; A272-Y274 HydrophobicContact CB-CE2 3.81Å; Y274-M276 HydrophobicContact CD1-CE 4.05Å; Y274-M276 PolarHBondContact O-N 3.45Å
275E94.7Very high97.2Very high200 Ų20043.3 Ų43.394%0.93523%0.232SC*.  trans-81.161.9175.4-62.9-172166.800111.9
276M95Very high97.2Very high56 Ų5643.3 Ų43.328%0.27623%0.232SC..SBendtrans-147.1153.5177.959.9-177.972.600111.8R182 L184 P269 Y274R182-M276 VanDerWaalsContact NH2-CG 3.28Å; R182-M276 PolarHBondContact NH2-SD 2.8Å; L184-M276 HydrophobicContact CB-SD 3.96Å; L184-M276 HydrophobicContact CD2-SD 4.07Å; P269-M276 HydrophobicContact CB-CG 3.58Å; P269-M276 HydrophobicContact CB-SD 4.38Å; P269-M276 HydrophobicContact CG-CG 3.83Å; Y274-M276 HydrophobicContact CD1-CE 4.05Å; Y274-M276 PolarHBondContact O-N 3.45Å
277N96.4Very high97.2Very high69 Ų6943.1 Ų43.137%0.36923%0.231SC..  trans-74.2159.6179.1-65.8-30.6000111.8R182 T281 E285R182-N277 PolarHBondContact NH1-O 3.03Å; R182-N277 PolarHBondContact NH2-O 2.92Å; N277-T281 HydrophobicContact CB-CG2 3.83Å; N277-E285 PolarHBondContact ND2-OE1 2.76Å
278G98Very high97.1Very high5 Ų546.6 Ų46.65%0.05225%0.25CS..  trans-60.3164175.100000114.7F267 H280 T281 A282F267-G278 WeakPolarHBondContact O-CA 3.42Å; G278-H280 PolarHBondContact O-N 3.09Å; G278-T281 PolarHBondContact O-N 2.8Å; G278-T281 VanDerWaalsContact O-N 3.13Å; G278-A282 PolarHBondContact O-N 2.8Å
279I98.2Very high97.1Very high1 Ų146.4 Ų46.41%0.00526%0.256CS..Hα-helixtrans-61.4-32.6-179.1-164.863.4000113L157 T164 L166 M266 F267 A282 T283 F314 L318L157-I279 HydrophobicContact CD1-CD1 4.3Å; L157-I279 HydrophobicContact CD1-CG1 3.68Å; L157-I279 HydrophobicContact CD2-CG1 4.38Å; L157-I279 HydrophobicContact CG-CD1 4.35Å; L157-I279 HydrophobicContact CG-CG1 4.2Å; T164-I279 HydrophobicContact CG2-CD1 3.53Å; L166-I279 HydrophobicContact CD1-CD1 4.09Å; L166-I279 HydrophobicContact CG-CD1 4.46Å; M266-I279 WeakPolarHBondContact O-CB 3.49Å; M266-I279 WeakPolarHBondContact O-CG2 3.33Å; M266-I279 PolarHBondContact O-N 3Å; F267-I279 HydrophobicContact CD1-CG2 4.22Å; F267-I279 HydrophobicContact CE1-CG2 4Å; F267-I279 HydrophobicContact CE2-CG2 4.46Å; F267-I279 HydrophobicContact CZ-CG2 4.13Å; I279-A282 PolarHBondContact O-N 2.79Å; I279-T283 WeakPolarHBondContact O-CB 3.26Å; I279-T283 PolarHBondContact O-N 2.98Å; I279-T283 PolarHBondContact O-OG1 2.86Å; I279-F314 HydrophobicContact CG2-CZ 4.39Å; I279-L318 HydrophobicContact CG2-CD1 4.29Å
280H98.3Very high97.1Very high29 Ų2946.5 Ų46.513%0.13426%0.257CS..Hα-helixtrans-64.8-43.9175.258.1-77.5000111.7F267 G278 T283 N284 L318 E321 L322F267-H280 AromaticContact CD1-ND1 3.57Å; F267-H280 PolarHBondContact O-CE1 2.85Å; F267-H280 VanDerWaalsContact O-CE1 3.25Å; G278-H280 PolarHBondContact O-N 3.09Å; H280-T283 WeakPolarHBondContact O-CB 3.36Å; H280-T283 PolarHBondContact O-N 2.9Å; H280-N284 PolarHBondContact O-N 3.34Å; H280-N284 VanDerWaalsContact O-N 3.11Å; H280-L318 HydrophobicContact CB-CD1 3.87Å; H280-E321 HydrophobicContact CB-CB 3.51Å; H280-E321 HydrophobicContact CB-CG 4.13Å; H280-L322 WeakPolarHBondContact O-CD2 3.49Å
281T98.1Very high97Very high32 Ų3242 Ų4220%0.19625%0.248CC..Hα-helixtrans-66.3-44.4175-47.60000111.2N277 G278 T283 N284 E285N277-T281 HydrophobicContact CB-CG2 3.83Å; G278-T281 PolarHBondContact O-N 2.8Å; G278-T281 VanDerWaalsContact O-N 3.13Å; T281-T283 VanDerWaalsContact C-N 3.27Å; T281-T283 PolarHBondContact O-N 3.46Å; T281-N284 CarbonylContact O-C 3.47Å; T281-N284 WeakPolarHBondContact O-CA 3.47Å; T281-N284 WeakPolarHBondContact O-CB 3.49Å; T281-N284 PolarHBondContact O-N 3.07Å; T281-N284 VanDerWaalsContact O-N 3.08Å; T281-E285 HydrophobicContact CG2-CG 4.45Å; T281-E285 WeakPolarHBondContact CG2-OE1 3.28Å; T281-E285 WeakPolarHBondContact O-CG 3.39Å; T281-E285 PolarHBondContact O-N 3.27Å
282A98.2Very high97Very high0 Ų046.7 Ų46.70%027%0.27CS..Hα-helixtrans-62.7-34.9177.300000112.7L166 R182 G278 I279 E285 T286L166-A282 VanDerWaalsContact CD1-C 3.44Å; L166-A282 HydrophobicContact CD1-CB 3.56Å; R182-A282 VanDerWaalsContact NH1-CB 3.34Å; G278-A282 PolarHBondContact O-N 2.8Å; I279-A282 PolarHBondContact O-N 2.79Å; A282-E285 WeakPolarHBondContact CA-OE2 3.34Å; A282-E285 PolarHBondContact O-N 3.02Å; A282-T286 WeakPolarHBondContact O-CB 3.36Å; A282-T286 PolarHBondContact O-N 3.11Å; A282-T286 PolarHBondContact O-OG1 2.68Å
283T98.6Very high97Very high0 Ų051.2 Ų51.20%029%0.289CS..Hα-helixtrans-63.1-45.3173-57.70000110.4L155 L166 I279 H280 T281 T286 I287 I302 L322L155-T283 HydrophobicContact CD2-CG2 3.7Å; L166-T283 HydrophobicContact CD2-CG2 4.34Å; L166-T283 WeakPolarHBondContact CD2-OG1 3.4Å; I279-T283 WeakPolarHBondContact O-CB 3.26Å; I279-T283 PolarHBondContact O-N 2.98Å; I279-T283 PolarHBondContact O-OG1 2.86Å; H280-T283 WeakPolarHBondContact O-CB 3.36Å; H280-T283 PolarHBondContact O-N 2.9Å; T281-T283 VanDerWaalsContact C-N 3.27Å; T281-T283 PolarHBondContact O-N 3.46Å; T283-T286 WeakPolarHBondContact O-CB 3.46Å; T283-T286 PolarHBondContact O-N 3.33Å; T283-I287 WeakPolarHBondContact O-CG1 3.46Å; T283-I287 PolarHBondContact O-N 3.23Å; T283-I287 VanDerWaalsContact O-N 3.1Å; T283-I302 HydrophobicContact CG2-CD1 4.02Å; T283-I302 HydrophobicContact CG2-CG2 4.47Å; T283-L322 HydrophobicContact CG2-CD1 4.04Å; T283-L322 HydrophobicContact CG2-CD2 3.8Å
284N98.1Very high97Very high22 Ų2248.7 Ų48.712%0.11826%0.26CS..Hα-helixtrans-62.4-46.2174.4176.158.4000112.2H280 T281 T286 I287 L288 W299 L325H280-N284 PolarHBondContact O-N 3.34Å; H280-N284 VanDerWaalsContact O-N 3.11Å; T281-N284 CarbonylContact O-C 3.47Å; T281-N284 WeakPolarHBondContact O-CA 3.47Å; T281-N284 WeakPolarHBondContact O-CB 3.49Å; T281-N284 PolarHBondContact O-N 3.07Å; T281-N284 VanDerWaalsContact O-N 3.08Å; N284-T286 VanDerWaalsContact C-N 3.3Å; N284-T286 PolarHBondContact O-N 3.38Å; N284-I287 PolarHBondContact O-N 2.91Å; N284-I287 VanDerWaalsContact O-N 3.16Å; N284-L288 WeakPolarHBondContact O-CG 3.41Å; N284-L288 PolarHBondContact O-N 2.9Å; N284-W299 HydrophobicContact CB-CH2 4.2Å; N284-W299 WeakPolarHBondContact OD1-CH2 3.17Å; N284-W299 WeakPolarHBondContact OD1-CZ2 3.49Å; N284-L325 HydrophobicContact CB-CB 4.21Å; N284-L325 HydrophobicContact CB-CD1 3.86Å
285E98.1Very high97.1Very high60 Ų6048.5 Ų48.528%0.2826%0.259SS..Hα-helixtrans-57.2-42.6175.9-70.7163.9177.900111.5N277 T281 A282 I287 L288 A289N277-E285 PolarHBondContact ND2-OE1 2.76Å; T281-E285 HydrophobicContact CG2-CG 4.45Å; T281-E285 WeakPolarHBondContact CG2-OE1 3.28Å; T281-E285 WeakPolarHBondContact O-CG 3.39Å; T281-E285 PolarHBondContact O-N 3.27Å; A282-E285 WeakPolarHBondContact CA-OE2 3.34Å; A282-E285 PolarHBondContact O-N 3.02Å; E285-I287 PolarHBondContact O-N 3.37Å; E285-L288 PolarHBondContact O-N 3.17Å; E285-A289 WeakPolarHBondContact O-CB 3.25Å; E285-A289 PolarHBondContact O-N 2.9Å
286T98.5Very high97.2Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-60-45.7175.2-60.90000111.8L155 L166 P168 A178 H180 A282 T283 N284 L288 A289 C290L155-T286 HydrophobicContact CD1-CG2 3.54Å; L155-T286 HydrophobicContact CD2-CG2 4.16Å; L166-T286 HydrophobicContact CB-CG2 4.17Å; L166-T286 WeakPolarHBondContact CB-OG1 3.32Å; P168-T286 HydrophobicContact CB-CG2 4.41Å; P168-T286 HydrophobicContact CG-CG2 3.91Å; A178-T286 WeakPolarHBondContact O-CG2 3.47Å; H180-T286 PolarHBondContact ND1-OG1 3.02Å; A282-T286 WeakPolarHBondContact O-CB 3.36Å; A282-T286 PolarHBondContact O-N 3.11Å; A282-T286 PolarHBondContact O-OG1 2.68Å; T283-T286 WeakPolarHBondContact O-CB 3.46Å; T283-T286 PolarHBondContact O-N 3.33Å; N284-T286 VanDerWaalsContact C-N 3.3Å; N284-T286 PolarHBondContact O-N 3.38Å; T286-L288 VanDerWaalsContact C-N 3.35Å; T286-A289 PolarHBondContact O-N 3.12Å; T286-C290 PolarHBondContact O-N 3.44Å; T286-C290 PolarHBondContact O-SG 3.39Å
287I98.3Very high97.2Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-66.9-38.1178-62.8172.4000110.8L155 T283 N284 E285 A289 C290 R295 F298 W299 I302L155-I287 HydrophobicContact CD2-CD1 3.95Å; L155-I287 HydrophobicContact CD2-CG1 3.57Å; T283-I287 WeakPolarHBondContact O-CG1 3.46Å; T283-I287 PolarHBondContact O-N 3.23Å; T283-I287 VanDerWaalsContact O-N 3.1Å; N284-I287 PolarHBondContact O-N 2.91Å; N284-I287 VanDerWaalsContact O-N 3.16Å; E285-I287 PolarHBondContact O-N 3.37Å; I287-A289 VanDerWaalsContact C-N 3.33Å; I287-C290 WeakPolarHBondContact O-CB 3.49Å; I287-C290 PolarHBondContact O-N 3.13Å; I287-R295 HydrophobicContact CG2-CB 3.79Å; I287-R295 HydrophobicContact CG2-CG 3.98Å; I287-R295 WeakPolarHBondContact O-CD 3.39Å; I287-R295 WeakPolarHBondContact O-CG 3.48Å; I287-R295 PolarHBondContact O-NE 3.47Å; I287-F298 HydrophobicContact CD1-CB 4.34Å; I287-F298 HydrophobicContact CG1-CB 4.05Å; I287-F298 HydrophobicContact CG2-CB 4.39Å; I287-W299 HydrophobicContact CB-CZ2 4.49Å; I287-W299 HydrophobicContact CD1-CD2 3.65Å; I287-W299 HydrophobicContact CD1-CE3 3.7Å; I287-W299 HydrophobicContact CD1-CG 4.21Å; I287-W299 HydrophobicContact CD1-CH2 4.12Å; I287-W299 HydrophobicContact CD1-CZ2 4.06Å; I287-W299 HydrophobicContact CD1-CZ3 3.94Å; I287-W299 HydrophobicContact CG2-CD2 4.47Å; I287-W299 HydrophobicContact CG2-CG 4.49Å; I287-W299 HydrophobicContact CG2-CZ2 4.35Å; I287-I302 HydrophobicContact CD1-CD1 4.27Å
288L97.3Very high97.3Very high80 Ų8042.6 Ų42.642%0.41923%0.23SC..Hα-helixtrans-69.1-30.2177.2-69.9176.9000112.9N284 E285 T286 C290 R295N284-L288 WeakPolarHBondContact O-CG 3.41Å; N284-L288 PolarHBondContact O-N 2.9Å; E285-L288 PolarHBondContact O-N 3.17Å; T286-L288 VanDerWaalsContact C-N 3.35Å; L288-C290 PolarHBondContact O-N 3.47Å; L288-R295 PolarHBondContact O-NH2 3.31Å
289A97.6Very high97.3Very high52 Ų5242.6 Ų42.643%0.4323%0.229SC..Hα-helixtrans-70-18.817300000112.8A178 E285 T286 I287A178-A289 HydrophobicContact CB-CB 3.8Å; E285-A289 WeakPolarHBondContact O-CB 3.25Å; E285-A289 PolarHBondContact O-N 2.9Å; T286-A289 PolarHBondContact O-N 3.12Å; I287-A289 VanDerWaalsContact C-N 3.33Å
290C97.4Very high97.2Very high3 Ų344.5 Ų44.52%0.0224%0.242CC..SBendtrans-80159175.3-60.30000112.4P168 I175 T286 I287 L288 V294 R295 F298P168-C290 VanDerWaalsContact CB-SG 3.57Å; I175-C290 HydrophobicContact CD1-CB 4.48Å; T286-C290 PolarHBondContact O-N 3.44Å; T286-C290 PolarHBondContact O-SG 3.39Å; I287-C290 WeakPolarHBondContact O-CB 3.49Å; I287-C290 PolarHBondContact O-N 3.13Å; L288-C290 PolarHBondContact O-N 3.47Å; C290-V294 HydrophobicContact CB-CG2 3.86Å; C290-R295 PolarHBondContact O-NE 3.33Å; C290-R295 PolarHBondContact O-NH2 3.22Å; C290-F298 HydrophobicContact CB-CD2 4.05Å; C290-F298 HydrophobicContact CB-CE2 3.83Å; C290-F298 VanDerWaalsContact SG-CE2 3.57Å
291G95.5Very high97.2Very high38 Ų3844.1 Ų44.139%0.39224%0.241SC..  trans-55.6143172.400000112.4D293 V294 R295G291-D293 PolarHBondContact O-N 2.96Å; G291-V294 WeakPolarHBondContact O-CG2 3.49Å; G291-V294 PolarHBondContact O-N 3.47Å; G291-R295 VanDerWaalsContact O-CG 3.22Å; G291-R295 WeakPolarHBondContact O-CG 3.47Å; G291-R295 PolarHBondContact O-N 2.93Å
292M94.7Very high97.2Very high155 Ų15542.6 Ų42.676%0.76423%0.232SC*.Hα-helixtrans-59.4-33.4-173.5-71.2-175.5-7300113.5
293D95.2Very high97.2Very high136 Ų13643 Ų4373%0.72723%0.234SC*.Hα-helixtrans-63.4-37.4178.457.9-36.5000113G291G291-D293 PolarHBondContact O-N 2.96Å
294V95.9Very high97.2Very high11 Ų1143 Ų437%0.06723%0.234CC..Hα-helixtrans-89.6-17-178.2-60.50000113.8F170 I175 C290 G291 K296 S297 F298F170-V294 HydrophobicContact CD1-CG1 4.38Å; F170-V294 HydrophobicContact CD2-CB 4Å; F170-V294 HydrophobicContact CD2-CG1 3.51Å; F170-V294 HydrophobicContact CE1-CG1 4.41Å; F170-V294 HydrophobicContact CE2-CB 4.24Å; F170-V294 HydrophobicContact CE2-CG1 3.55Å; F170-V294 HydrophobicContact CG-CG1 3.95Å; F170-V294 HydrophobicContact CZ-CG1 4.03Å; I175-V294 HydrophobicContact CD1-CG2 4.38Å; C290-V294 HydrophobicContact CB-CG2 3.86Å; G291-V294 WeakPolarHBondContact O-CG2 3.49Å; G291-V294 PolarHBondContact O-N 3.47Å; V294-K296 VanDerWaalsContact C-N 3.31Å; V294-K296 PolarHBondContact O-N 2.91Å; V294-S297 WeakPolarHBondContact O-CA 3.48Å; V294-S297 VanDerWaalsContact O-CB 3.25Å; V294-S297 WeakPolarHBondContact O-CB 3.49Å; V294-S297 PolarHBondContact O-N 2.9Å; V294-F298 HydrophobicContact CB-CD2 4.31Å; V294-F298 HydrophobicContact CB-CE2 3.87Å; V294-F298 HydrophobicContact CB-CZ 4.46Å; V294-F298 HydrophobicContact CG2-CD2 4.04Å; V294-F298 HydrophobicContact CG2-CE2 3.49Å; V294-F298 VanDerWaalsContact CG2-CE2 3.49Å; V294-F298 HydrophobicContact CG2-CZ 4.37Å; V294-F298 PolarHBondContact O-N 3.48Å; V294-F298 VanDerWaalsContact O-N 3.17Å
295R97.2Very high97.2Very high69 Ų6942 Ų4226%0.2623%0.228SC..Hα-helixtrans-57.5-40.1-175.2-58.7-169.1-173.6162.21.2113.5I287 L288 C290 G291 S297 F298 W299I287-R295 HydrophobicContact CG2-CB 3.79Å; I287-R295 HydrophobicContact CG2-CG 3.98Å; I287-R295 WeakPolarHBondContact O-CD 3.39Å; I287-R295 WeakPolarHBondContact O-CG 3.48Å; I287-R295 PolarHBondContact O-NE 3.47Å; L288-R295 PolarHBondContact O-NH2 3.31Å; C290-R295 PolarHBondContact O-NE 3.33Å; C290-R295 PolarHBondContact O-NH2 3.22Å; G291-R295 VanDerWaalsContact O-CG 3.22Å; G291-R295 WeakPolarHBondContact O-CG 3.47Å; G291-R295 PolarHBondContact O-N 2.93Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.4Å; R295-F298 PolarHBondContact O-N 3.33Å; R295-W299 PolarHBondContact O-N 3.46Å
296K95.5Very high97.1Very high166 Ų16639.5 Ų39.572%0.72222%0.219SC*.Hα-helixtrans-59.9-40.4178.5-176.7-179.4177.1-176.70111V294 S300V294-K296 VanDerWaalsContact C-N 3.31Å; V294-K296 PolarHBondContact O-N 2.91Å; K296-S300 PolarHBondContact O-N 3.34Å; K296-S300 PolarHBondContact O-OG 2.96Å
297S95.9Very high97Very high36 Ų3641.8 Ų41.825%0.25224%0.242SC..Hα-helixtrans-60.7-51.6175.5-167.60000110.2T153 V294 R295 W299 S300 N301T153-S297 VanDerWaalsContact CG2-OG 3.3Å; T153-S297 WeakPolarHBondContact CG2-OG 3.35Å; V294-S297 WeakPolarHBondContact O-CA 3.48Å; V294-S297 VanDerWaalsContact O-CB 3.25Å; V294-S297 WeakPolarHBondContact O-CB 3.49Å; V294-S297 PolarHBondContact O-N 2.9Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.4Å; S297-W299 PolarHBondContact O-N 2.83Å; S297-S300 CarbonylContact O-C 3.46Å; S297-S300 PolarHBondContact O-N 2.89Å; S297-S300 VanDerWaalsContact O-N 3.11Å; S297-S300 PolarHBondContact O-OG 2.9Å; S297-N301 WeakPolarHBondContact O-CB 3.49Å; S297-N301 PolarHBondContact O-N 2.8Å; S297-N301 VanDerWaalsContact O-N 3.15Å
298F98Very high96.9Very high0 Ų042 Ų420%025%0.245CC..Hα-helixtrans-61.7-42.5-179.1-65.8-44.5000114.1T153 G154 L155 P168 V169 F170 I175 I287 C290 V294 R295 S300 N301 I302T153-F298 HydrophobicContact CG2-CE1 4.4Å; G154-F298 WeakPolarHBondContact O-CE1 3.4Å; L155-F298 HydrophobicContact CB-CB 4.31Å; L155-F298 HydrophobicContact CB-CD1 4.09Å; L155-F298 HydrophobicContact CB-CG 4.43Å; P168-F298 HydrophobicContact CB-CE1 4.04Å; P168-F298 HydrophobicContact CB-CE2 3.9Å; P168-F298 HydrophobicContact CB-CZ 3.64Å; V169-F298 VanDerWaalsContact O-CE1 3.31Å; V169-F298 WeakPolarHBondContact O-CE1 3.46Å; F170-F298 HydrophobicContact CB-CZ 4.29Å; I175-F298 HydrophobicContact CD1-CE2 3.92Å; I175-F298 HydrophobicContact CD1-CZ 3.87Å; I287-F298 HydrophobicContact CD1-CB 4.34Å; I287-F298 HydrophobicContact CG1-CB 4.05Å; I287-F298 HydrophobicContact CG2-CB 4.39Å; C290-F298 HydrophobicContact CB-CD2 4.05Å; C290-F298 HydrophobicContact CB-CE2 3.83Å; C290-F298 VanDerWaalsContact SG-CE2 3.57Å; V294-F298 HydrophobicContact CB-CD2 4.31Å; V294-F298 HydrophobicContact CB-CE2 3.87Å; V294-F298 HydrophobicContact CB-CZ 4.46Å; V294-F298 HydrophobicContact CG2-CD2 4.04Å; V294-F298 HydrophobicContact CG2-CE2 3.49Å; V294-F298 VanDerWaalsContact CG2-CE2 3.49Å; V294-F298 HydrophobicContact CG2-CZ 4.37Å; V294-F298 PolarHBondContact O-N 3.48Å; V294-F298 VanDerWaalsContact O-N 3.17Å; R295-F298 PolarHBondContact O-N 3.33Å; F298-S300 PolarHBondContact O-N 3.24Å; F298-N301 CarbonylContact O-C 3.53Å; F298-N301 PolarHBondContact O-N 3.4Å; F298-I302 WeakPolarHBondContact O-CG1 3.14Å
299W97.9Very high97Very high5 Ų538.2 Ų38.22%0.01923%0.225CC..Hα-helixtrans-56.2-39.5174.9-80.6117000112.3N284 I287 R295 S297 N301 I302 L322 A326 A330 T331 V332 K333N284-W299 HydrophobicContact CB-CH2 4.2Å; N284-W299 WeakPolarHBondContact OD1-CH2 3.17Å; N284-W299 WeakPolarHBondContact OD1-CZ2 3.49Å; I287-W299 HydrophobicContact CB-CZ2 4.49Å; I287-W299 HydrophobicContact CD1-CD2 3.65Å; I287-W299 HydrophobicContact CD1-CE3 3.7Å; I287-W299 HydrophobicContact CD1-CG 4.21Å; I287-W299 HydrophobicContact CD1-CH2 4.12Å; I287-W299 HydrophobicContact CD1-CZ2 4.06Å; I287-W299 HydrophobicContact CD1-CZ3 3.94Å; I287-W299 HydrophobicContact CG2-CD2 4.47Å; I287-W299 HydrophobicContact CG2-CG 4.49Å; I287-W299 HydrophobicContact CG2-CZ2 4.35Å; R295-W299 PolarHBondContact O-N 3.46Å; S297-W299 PolarHBondContact O-N 2.83Å; W299-N301 VanDerWaalsContact C-N 3.29Å; W299-N301 PolarHBondContact O-N 3.02Å; W299-I302 HydrophobicContact CE3-CD1 4.48Å; W299-L322 HydrophobicContact CH2-CD2 4.47Å; W299-L322 HydrophobicContact CZ3-CB 4.13Å; W299-L322 HydrophobicContact CZ3-CD2 4.01Å; W299-A326 HydrophobicContact CD2-CB 4.05Å; W299-A326 HydrophobicContact CE3-CB 3.83Å; W299-A326 HydrophobicContact CH2-CB 3.87Å; W299-A326 HydrophobicContact CZ2-CB 4.09Å; W299-A326 HydrophobicContact CZ3-CB 3.73Å; W299-A330 HydrophobicContact CB-CB 4.37Å; W299-A330 HydrophobicContact CG-CB 4.14Å; W299-T331 CarbonylContact C-O 3.56Å; W299-T331 VanDerWaalsContact C-O 3.27Å; W299-V332 HydrophobicContact CE3-CG1 4.48Å; W299-V332 HydrophobicContact CE3-CG2 3.91Å; W299-V332 HydrophobicContact CZ3-CG2 4.36Å; W299-V332 CarbonylContact O-C 3.5Å; W299-V332 VanDerWaalsContact O-CA 3.28Å; W299-V332 WeakPolarHBondContact O-CA 3.32Å; W299-K333 PolarHBondContact O-N 2.82Å
300S97.1Very high97Very high41 Ų4139 Ų3929%0.28722%0.221SC..THydrogen-bonded Turntrans-86.85.6-179.771.20000114.5K296 S297 F298 T331 K333K296-S300 PolarHBondContact O-N 3.34Å; K296-S300 PolarHBondContact O-OG 2.96Å; S297-S300 CarbonylContact O-C 3.46Å; S297-S300 PolarHBondContact O-N 2.89Å; S297-S300 VanDerWaalsContact O-N 3.11Å; S297-S300 PolarHBondContact O-OG 2.9Å; F298-S300 PolarHBondContact O-N 3.24Å; S300-T331 WeakPolarHBondContact CA-O 3.48Å; S300-T331 WeakPolarHBondContact CB-O 3.3Å; S300-T331 PolarHBondContact N-O 3.07Å; S300-K333 WeakPolarHBondContact O-CB 3.47Å
301N97.5Very high97Very high20 Ų2039.7 Ų39.711%0.10722%0.223CC..  trans-151.953.3-167.9-160.5-0.9000112.7R151 T153 G154 L155 S297 F298 W299 M335R151-N301 VanDerWaalsContact CD-OD1 3.3Å; R151-N301 WeakPolarHBondContact CD-OD1 3.47Å; T153-N301 PolarHBondContact O-ND2 2.92Å; G154-N301 CarbonylContact C-O 3.56Å; G154-N301 VanDerWaalsContact CA-O 3.29Å; G154-N301 WeakPolarHBondContact CA-O 3.48Å; L155-N301 PolarHBondContact N-O 2.93Å; S297-N301 WeakPolarHBondContact O-CB 3.49Å; S297-N301 PolarHBondContact O-N 2.8Å; S297-N301 VanDerWaalsContact O-N 3.15Å; F298-N301 CarbonylContact O-C 3.53Å; F298-N301 PolarHBondContact O-N 3.4Å; W299-N301 VanDerWaalsContact C-N 3.29Å; W299-N301 PolarHBondContact O-N 3.02Å; N301-M335 WeakPolarHBondContact OD1-CE 3.38Å
302I98.7Very high97.2Very high0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-92.8122.1175.7-54.1174.2000108.1L155 T283 I287 F298 W299 L322 K333 V334 M335L155-I302 CarbonylContact O-C 3.54Å; L155-I302 WeakPolarHBondContact O-CA 3.44Å; T283-I302 HydrophobicContact CG2-CD1 4.02Å; T283-I302 HydrophobicContact CG2-CG2 4.47Å; I287-I302 HydrophobicContact CD1-CD1 4.27Å; F298-I302 WeakPolarHBondContact O-CG1 3.14Å; W299-I302 HydrophobicContact CE3-CD1 4.48Å; I302-L322 HydrophobicContact CD1-CD1 3.49Å; I302-L322 VanDerWaalsContact CD1-CD1 3.49Å; I302-K333 WeakPolarHBondContact CB-O 3.37Å; I302-K333 PolarHBondContact N-O 3.21Å; I302-V334 HydrophobicContact CB-CG2 4.43Å; I302-V334 CarbonylContact O-C 3.49Å; I302-V334 WeakPolarHBondContact O-CA 3.33Å; I302-M335 PolarHBondContact O-N 3.09Å
303I98.4Very high97.3Very high8 Ų839.4 Ų39.44%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-113.8125-174.4-64.1162.2000109L146 L155 L157 M335L146-I303 HydrophobicContact CD2-CD1 3.23Å; L146-I303 HydrophobicContact CG-CD1 4.13Å; L155-I303 PolarHBondContact O-N 3.48Å; L157-I303 PolarHBondContact N-O 3.42Å; I303-M335 HydrophobicContact CD1-CE 4.13Å; I303-M335 HydrophobicContact CG1-CE 3.46Å; I303-M335 VanDerWaalsContact CG1-CE 3.46Å
304L98.7Very high97.5Very high1 Ų133 Ų331%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-90.6132.3175-56-167.3000110.3L157 T309 F314 P315 L318 V334 M335 A336 R340L157-L304 HydrophobicContact CB-CD2 3.83Å; L157-L304 HydrophobicContact CD1-CD2 3.86Å; L157-L304 HydrophobicContact CD2-CD2 4.25Å; L157-L304 HydrophobicContact CG-CD2 4.21Å; L304-T309 HydrophobicContact CB-CG2 4.19Å; L304-F314 HydrophobicContact CD1-CD1 3.7Å; L304-F314 HydrophobicContact CD1-CE1 3.91Å; L304-F314 HydrophobicContact CD2-CE1 4.32Å; L304-P315 HydrophobicContact CD1-CB 4.06Å; L304-P315 HydrophobicContact CD1-CG 3.98Å; L304-L318 HydrophobicContact CD1-CD2 4.48Å; L304-L318 HydrophobicContact CD2-CD2 3.7Å; L304-V334 HydrophobicContact CD1-CG1 3.71Å; L304-V334 HydrophobicContact CD2-CG1 3.99Å; L304-V334 HydrophobicContact CG-CG1 3.7Å; L304-M335 PolarHBondContact N-O 2.86Å; L304-A336 HydrophobicContact CB-CB 4.38Å; L304-A336 HydrophobicContact CD1-CB 4.08Å; L304-A336 HydrophobicContact CG-CB 4.46Å; L304-R340 WeakPolarHBondContact O-CB 3.43Å
305T98.1Very high97.6Very high1 Ų133.3 Ų33.31%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-142.7161.3175.8-174.20000110.1S145 V156 L157 D158 C159 T309 R340 S343S145-T305 WeakPolarHBondContact OG-CG2 3.35Å; S145-T305 PolarHBondContact OG-OG1 3.41Å; V156-T305 HydrophobicContact CG1-CG2 3.45Å; V156-T305 VanDerWaalsContact CG1-CG2 3.45Å; L157-T305 PolarHBondContact O-N 3.13Å; D158-T305 VanDerWaalsContact CA-CG2 3.41Å; D158-T305 WeakPolarHBondContact CA-O 3.11Å; D158-T305 HydrophobicContact CB-CG2 3.38Å; C159-T305 PolarHBondContact N-O 2.92Å; T305-T309 WeakPolarHBondContact O-CG2 3.26Å; T305-T309 PolarHBondContact O-OG1 3.1Å; T305-R340 PolarHBondContact OG1-O 3.36Å; T305-S343 WeakPolarHBondContact OG1-CB 3.48Å
306G96.7Very high97.7Very high8 Ų834 Ų348%0.08218%0.182CC..SBendtrans85.2154.9179.100000114.4C159 G308 T309 R340C159-G306 CarbonylContact O-C 3.58Å; C159-G306 WeakPolarHBondContact O-CA 3.29Å; G306-G308 VanDerWaalsContact C-N 3.32Å; G306-G308 PolarHBondContact O-N 3.25Å; G306-T309 PolarHBondContact O-N 3.09Å; G306-T309 VanDerWaalsContact O-N 3.13Å; G306-T309 PolarHBondContact O-OG1 2.84Å; G306-R340 PolarHBondContact N-O 3.08Å; G306-R340 VanDerWaalsContact N-O 3.1Å
307G95.8Very high97.8Very high47 Ų4726.9 Ų26.949%0.48515%0.15SC..G310 helixtrans-61.7-32.1-171.800000114.8C159 T309 M310C159-G307 PolarHBondContact O-N 2.74Å; G307-T309 PolarHBondContact O-N 2.78Å; G307-M310 WeakPolarHBondContact O-CB 3.35Å; G307-M310 WeakPolarHBondContact O-CG 3.46Å; G307-M310 PolarHBondContact O-N 3.16Å
308G96.4Very high98Very high6 Ų625.1 Ų25.16%0.06214%0.138CC..G310 helixtrans-69.3-13.2177.800000114.2C159 G306 M310 F311C159-G308 WeakPolarHBondContact O-CA 3.47Å; C159-G308 PolarHBondContact O-N 3.48Å; G306-G308 VanDerWaalsContact C-N 3.32Å; G306-G308 PolarHBondContact O-N 3.25Å; G308-M310 VanDerWaalsContact C-N 3.34Å; G308-F311 VanDerWaalsContact O-CD2 3.22Å; G308-F311 WeakPolarHBondContact O-CD2 3.4Å
309T98.4Very high98Very high0 Ų031.2 Ų31.20%016%0.161CC..G310 helixtrans-900.9171.273.40000113L157 C159 L304 T305 G306 G307 F311 F314 R340L157-T309 HydrophobicContact CD2-CG2 3.76Å; C159-T309 HydrophobicContact CB-CG2 3.77Å; L304-T309 HydrophobicContact CB-CG2 4.19Å; T305-T309 WeakPolarHBondContact O-CG2 3.26Å; T305-T309 PolarHBondContact O-OG1 3.1Å; G306-T309 PolarHBondContact O-N 3.09Å; G306-T309 VanDerWaalsContact O-N 3.13Å; G306-T309 PolarHBondContact O-OG1 2.84Å; G307-T309 PolarHBondContact O-N 2.78Å; T309-F311 VanDerWaalsContact C-N 3.33Å; T309-F314 HydrophobicContact CG2-CE1 4.07Å; T309-F314 HydrophobicContact CG2-CZ 4.28Å; T309-R340 PolarHBondContact O-NE 3.07Å; T309-R340 PolarHBondContact O-NH2 2.85Å; T309-R340 WeakPolarHBondContact OG1-CD 3.19Å; T309-R340 PolarHBondContact OG1-NE 3.14Å
310M98Very high98Very high69 Ų6934 Ų3434%0.3417%0.174SC..  trans-81-9.3-177.3-64.5-63.5-6800113.9G307 G308 R312 R340 K341G307-M310 WeakPolarHBondContact O-CB 3.35Å; G307-M310 WeakPolarHBondContact O-CG 3.46Å; G307-M310 PolarHBondContact O-N 3.16Å; G308-M310 VanDerWaalsContact C-N 3.34Å; M310-R312 PolarHBondContact O-N 3.48Å; M310-R340 HydrophobicContact SD-CG 3.43Å; M310-R340 WeakPolarHBondContact SD-CG 2.93Å; M310-R340 VanDerWaalsContact SD-CZ 3.53Å; M310-K341 HydrophobicContact CE-CB 4.39Å; M310-K341 HydrophobicContact CE-CG 4.28Å; M310-K341 HydrophobicContact CG-CB 4.06Å; M310-K341 HydrophobicContact SD-CB 4.02Å; M310-K341 HydrophobicContact SD-CG 4.46Å
311F98.2Very high98Very high16 Ų1633.9 Ų33.97%0.0717%0.168CC..SBendtrans-55.7131.5174.7-66-65.8000111V189 K217 C221 V223 P263 G308 T309 G313 F314V189-F311 HydrophobicContact CG1-CZ 3.96Å; K217-F311 HydrophobicContact CD-CZ 4.1Å; K217-F311 HydrophobicContact CG-CE1 3.8Å; K217-F311 HydrophobicContact CG-CZ 3.72Å; C221-F311 HydrophobicContact CB-CD1 4.12Å; C221-F311 HydrophobicContact CB-CE1 3.81Å; V223-F311 HydrophobicContact CG2-CB 3.86Å; V223-F311 HydrophobicContact CG2-CG 4.4Å; P263-F311 HydrophobicContact CB-CD1 4.31Å; P263-F311 HydrophobicContact CB-CD2 4.11Å; P263-F311 HydrophobicContact CB-CE1 4.34Å; P263-F311 HydrophobicContact CB-CE2 4.13Å; P263-F311 HydrophobicContact CB-CG 4.21Å; P263-F311 HydrophobicContact CB-CZ 4.24Å; P263-F311 HydrophobicContact CG-CD1 3.91Å; P263-F311 HydrophobicContact CG-CE1 3.77Å; P263-F311 HydrophobicContact CG-CE2 4.41Å; P263-F311 HydrophobicContact CG-CG 4.3Å; P263-F311 HydrophobicContact CG-CZ 4.04Å; G308-F311 VanDerWaalsContact O-CD2 3.22Å; G308-F311 WeakPolarHBondContact O-CD2 3.4Å; T309-F311 VanDerWaalsContact C-N 3.33Å; F311-G313 PolarHBondContact O-N 3.36Å; F311-F314 HydrophobicContact CB-CB 4.19Å; F311-F314 HydrophobicContact CD2-CD2 4.46Å; F311-F314 WeakPolarHBondContact O-CB 3.1Å; F311-F314 PolarHBondContact O-N 2.89Å; F311-F314 VanDerWaalsContact O-N 3.12Å
312R98.1Very high98.1Very high169 Ų16932.9 Ų32.964%0.63816%0.163SC*.BIsolated β-bridgetrans-56.3134.3170.6-175.6-177.368.6-168.31.6109.4V223 M310 F314V223-R312 PolarHBondContact N-O 3.13Å; M310-R312 PolarHBondContact O-N 3.48Å; R312-F314 VanDerWaalsContact C-N 3.29Å; R312-F314 PolarHBondContact O-N 3.11Å
313G98.3Very high98Very high19 Ų1938.5 Ų38.520%0.19619%0.189CC..THydrogen-bonded Turntrans85.6-9.5-179.200000114.9F311 E316 R317F311-G313 PolarHBondContact O-N 3.36Å; G313-E316 VanDerWaalsContact C-OE2 3.25Å; G313-E316 WeakPolarHBondContact CA-OE2 3.39Å; G313-E316 PolarHBondContact O-N 3.11Å; G313-R317 VanDerWaalsContact O-CB 3.32Å; G313-R317 WeakPolarHBondContact O-CB 3.48Å; G313-R317 PolarHBondContact O-N 3.44Å
314F98.7Very high97.9Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-61.2-50.2-178.8-173.4-73.1000112.5L157 V223 M266 F267 I279 L304 T309 F311 R312 E316 L318L157-F314 HydrophobicContact CD2-CZ 4.38Å; V223-F314 HydrophobicContact CB-CB 4.46Å; V223-F314 HydrophobicContact CG2-CB 4.03Å; V223-F314 HydrophobicContact CG2-CD2 3.94Å; V223-F314 HydrophobicContact CG2-CG 4.44Å; M266-F314 HydrophobicContact CB-CE2 4.41Å; F267-F314 HydrophobicContact CE2-CD2 4.08Å; F267-F314 HydrophobicContact CE2-CE2 4.1Å; F267-F314 HydrophobicContact CZ-CD2 4.39Å; F267-F314 HydrophobicContact CZ-CE2 4.35Å; I279-F314 HydrophobicContact CG2-CZ 4.39Å; L304-F314 HydrophobicContact CD1-CD1 3.7Å; L304-F314 HydrophobicContact CD1-CE1 3.91Å; L304-F314 HydrophobicContact CD2-CE1 4.32Å; T309-F314 HydrophobicContact CG2-CE1 4.07Å; T309-F314 HydrophobicContact CG2-CZ 4.28Å; F311-F314 HydrophobicContact CB-CB 4.19Å; F311-F314 HydrophobicContact CD2-CD2 4.46Å; F311-F314 WeakPolarHBondContact O-CB 3.1Å; F311-F314 PolarHBondContact O-N 2.89Å; F311-F314 VanDerWaalsContact O-N 3.12Å; R312-F314 VanDerWaalsContact C-N 3.29Å; R312-F314 PolarHBondContact O-N 3.11Å; F314-E316 VanDerWaalsContact C-N 3.32Å; F314-E316 PolarHBondContact O-N 3.26Å; F314-L318 HydrophobicContact CE1-CD2 4.16Å; F314-L318 VanDerWaalsContact O-CB 3.31Å; F314-L318 WeakPolarHBondContact O-CB 3.11Å; F314-L318 PolarHBondContact O-N 3.46Å
315P98.5Very high97.9Very high18 Ų1847.9 Ų47.912%0.11723%0.234CC..Hα-helixtrans-61.3-39.8178.8-20.331.9000112.8L304 R319 V334 A336L304-P315 HydrophobicContact CD1-CB 4.06Å; L304-P315 HydrophobicContact CD1-CG 3.98Å; P315-R319 VanDerWaalsContact O-CB 3.26Å; P315-R319 WeakPolarHBondContact O-CB 3.49Å; P315-R319 PolarHBondContact O-N 3.29Å; P315-V334 HydrophobicContact CB-CG1 4.42Å; P315-A336 HydrophobicContact CB-CB 3.85Å; P315-A336 HydrophobicContact CG-CB 3.44Å; P315-A336 VanDerWaalsContact CG-CB 3.44Å
316E98.4Very high97.8Very high85 Ų8548.7 Ų48.740%0.39724%0.241SC..Hα-helixtrans-69.1-47.2-177.6-64.276-168.100111.6M225 G313 F314 R319 K320M225-E316 HydrophobicContact CE-CB 4Å; M225-E316 HydrophobicContact SD-CB 4.48Å; G313-E316 VanDerWaalsContact C-OE2 3.25Å; G313-E316 WeakPolarHBondContact CA-OE2 3.39Å; G313-E316 PolarHBondContact O-N 3.11Å; F314-E316 VanDerWaalsContact C-N 3.32Å; F314-E316 PolarHBondContact O-N 3.26Å; E316-R319 PolarHBondContact O-N 2.73Å; E316-K320 WeakPolarHBondContact O-CB 3.44Å; E316-K320 PolarHBondContact O-N 2.95Å
317R98.6Very high97.7Very high15 Ų1551.8 Ų51.86%0.05726%0.26CS..Hα-helixtrans-61.1-48.7175.6177.763.7178.5-68.9-8.9110.4V223 A224 M225 E264 F267 G313 R319 K320 E321V223-R317 HydrophobicContact CG1-CB 3.5Å; V223-R317 HydrophobicContact CG1-CG 3.63Å; A224-R317 WeakPolarHBondContact O-CD 3.36Å; A224-R317 PolarHBondContact O-NH1 3.34Å; M225-R317 WeakPolarHBondContact O-CD 3.36Å; E264-R317 IonicContact OE1-CZ 3.77Å; E264-R317 IonicContact OE1-NH1 3.24Å; E264-R317 PolarHBondContact OE1-NH1 2.94Å; E264-R317 IonicContact OE1-NH2 3.11Å; E264-R317 PolarHBondContact OE1-NH2 2.83Å; E264-R317 IonicContact OE2-CZ 2.64Å; E264-R317 IonicContact OE2-NH1 3.14Å; E264-R317 PolarHBondContact OE2-NH1 3.34Å; E264-R317 IonicContact OE2-NH2 2.73Å; F267-R317 HydrophobicContact CD1-CG 3.93Å; F267-R317 HydrophobicContact CE1-CB 4.3Å; F267-R317 HydrophobicContact CE1-CG 3.55Å; F267-R317 HydrophobicContact CE2-CG 4.16Å; F267-R317 HydrophobicContact CG-CG 4.41Å; F267-R317 HydrophobicContact CZ-CB 4.08Å; F267-R317 HydrophobicContact CZ-CG 3.68Å; G313-R317 VanDerWaalsContact O-CB 3.32Å; G313-R317 WeakPolarHBondContact O-CB 3.48Å; G313-R317 PolarHBondContact O-N 3.44Å; R317-R319 PolarHBondContact O-N 2.85Å; R317-K320 WeakPolarHBondContact O-CB 3.33Å; R317-K320 PolarHBondContact O-N 3.22Å; R317-E321 IonicContact CZ-OE1 2.8Å; R317-E321 IonicContact NE-OE1 3.66Å; R317-E321 PolarHBondContact NE-OE1 2.96Å; R317-E321 IonicContact NH2-OE1 3.67Å; R317-E321 PolarHBondContact NH2-OE1 3.06Å; R317-E321 WeakPolarHBondContact O-CG 3.42Å; R317-E321 PolarHBondContact O-N 2.58Å
318L98.7Very high97.5Very high0 Ų060 Ų600%028%0.282CS..Hα-helixtrans-58.8-47178.2-178.763.8000111.6L157 F267 I279 H280 L304 F314 K320 E321 L322 V334L157-L318 HydrophobicContact CD1-CD2 3.63Å; F267-L318 HydrophobicContact CE1-CB 4.32Å; F267-L318 HydrophobicContact CE1-CD1 4.41Å; F267-L318 HydrophobicContact CZ-CB 4.32Å; I279-L318 HydrophobicContact CG2-CD1 4.29Å; H280-L318 HydrophobicContact CB-CD1 3.87Å; L304-L318 HydrophobicContact CD1-CD2 4.48Å; L304-L318 HydrophobicContact CD2-CD2 3.7Å; F314-L318 HydrophobicContact CE1-CD2 4.16Å; F314-L318 VanDerWaalsContact O-CB 3.31Å; F314-L318 WeakPolarHBondContact O-CB 3.11Å; F314-L318 PolarHBondContact O-N 3.46Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.41Å; L318-E321 PolarHBondContact O-N 2.81Å; L318-L322 HydrophobicContact CD1-CD1 3.9Å; L318-L322 HydrophobicContact CD1-CG 4Å; L318-L322 HydrophobicContact CD2-CD1 4.34Å; L318-L322 HydrophobicContact CG-CD1 3.72Å; L318-L322 HydrophobicContact CG-CG 4.23Å; L318-L322 WeakPolarHBondContact O-CB 3.35Å; L318-L322 WeakPolarHBondContact O-CG 3.43Å; L318-L322 PolarHBondContact O-N 2.85Å; L318-V334 HydrophobicContact CD2-CG1 4.14Å; L318-V334 HydrophobicContact CD2-CG2 4.43Å; L318-V334 HydrophobicContact CG-CG2 4.42Å
319R98.4Very high97.1Very high128 Ų12863.7 Ų63.748%0.48332%0.32SS..Hα-helixtrans-60-41.6177.6-175.8-179.964.1179.4-2.4112P315 E316 R317 H323 V334P315-R319 VanDerWaalsContact O-CB 3.26Å; P315-R319 WeakPolarHBondContact O-CB 3.49Å; P315-R319 PolarHBondContact O-N 3.29Å; E316-R319 PolarHBondContact O-N 2.73Å; R317-R319 PolarHBondContact O-N 2.85Å; R319-H323 PolarHBondContact O-N 2.84Å; R319-V334 HydrophobicContact CB-CB 4.3Å; R319-V334 HydrophobicContact CB-CG2 3.93Å; R319-V334 HydrophobicContact CG-CG2 4.43Å
320K98.1Very high96.9Very high63 Ų6365 Ų6527%0.27433%0.331SS..Hα-helixtrans-58.2-54.2175.9174.5-173.1163.6-170.60110.3M225 E316 R317 L318 L322 H323 H324M225-K320 HydrophobicContact CE-CB 4.39Å; M225-K320 HydrophobicContact CE-CD 4.39Å; M225-K320 HydrophobicContact CG-CD 4.23Å; M225-K320 PolarHBondContact O-NZ 3.18Å; M225-K320 HydrophobicContact SD-CB 4.1Å; M225-K320 HydrophobicContact SD-CD 3.62Å; M225-K320 HydrophobicContact SD-CG 4.47Å; E316-K320 WeakPolarHBondContact O-CB 3.44Å; E316-K320 PolarHBondContact O-N 2.95Å; R317-K320 WeakPolarHBondContact O-CB 3.33Å; R317-K320 PolarHBondContact O-N 3.22Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.41Å; K320-L322 VanDerWaalsContact C-N 3.34Å; K320-L322 PolarHBondContact O-N 3.43Å; K320-H323 WeakPolarHBondContact O-CB 3.22Å; K320-H323 PolarHBondContact O-N 2.94Å; K320-H324 PolarHBondContact O-ND1 3.19Å
321E98.4Very high96.9Very high38 Ų3865.8 Ų65.818%0.17834%0.34CS..Hα-helixtrans-61.1-43.8-178.7-60.6-59.8170.700111.6F267 H280 R317 L318 H323 H324 L325F267-E321 HydrophobicContact CD1-CG 4.35Å; F267-E321 HydrophobicContact CE1-CG 4.48Å; H280-E321 HydrophobicContact CB-CB 3.51Å; H280-E321 HydrophobicContact CB-CG 4.13Å; R317-E321 IonicContact CZ-OE1 2.8Å; R317-E321 IonicContact NE-OE1 3.66Å; R317-E321 PolarHBondContact NE-OE1 2.96Å; R317-E321 IonicContact NH2-OE1 3.67Å; R317-E321 PolarHBondContact NH2-OE1 3.06Å; R317-E321 WeakPolarHBondContact O-CG 3.42Å; R317-E321 PolarHBondContact O-N 2.58Å; L318-E321 PolarHBondContact O-N 2.81Å; E321-H323 VanDerWaalsContact C-N 3.3Å; E321-H323 PolarHBondContact O-N 2.63Å; E321-H324 WeakPolarHBondContact O-CB 3.35Å; E321-H324 PolarHBondContact O-N 2.94Å; E321-L325 PolarHBondContact O-N 3.06Å
322L98.4Very high96.8Very high0 Ų065.5 Ų65.50%034%0.339CS..Hα-helixtrans-64.6-31.7178.7-69.6176.7000113.1H280 T283 W299 I302 L318 K320 H324 L325 A326 V332 V334H280-L322 WeakPolarHBondContact O-CD2 3.49Å; T283-L322 HydrophobicContact CG2-CD1 4.04Å; T283-L322 HydrophobicContact CG2-CD2 3.8Å; W299-L322 HydrophobicContact CH2-CD2 4.47Å; W299-L322 HydrophobicContact CZ3-CB 4.13Å; W299-L322 HydrophobicContact CZ3-CD2 4.01Å; I302-L322 HydrophobicContact CD1-CD1 3.49Å; I302-L322 VanDerWaalsContact CD1-CD1 3.49Å; L318-L322 HydrophobicContact CD1-CD1 3.9Å; L318-L322 HydrophobicContact CD1-CG 4Å; L318-L322 HydrophobicContact CD2-CD1 4.34Å; L318-L322 HydrophobicContact CG-CD1 3.72Å; L318-L322 HydrophobicContact CG-CG 4.23Å; L318-L322 WeakPolarHBondContact O-CB 3.35Å; L318-L322 WeakPolarHBondContact O-CG 3.43Å; L318-L322 PolarHBondContact O-N 2.85Å; K320-L322 VanDerWaalsContact C-N 3.34Å; K320-L322 PolarHBondContact O-N 3.43Å; L322-H324 PolarHBondContact O-N 2.95Å; L322-L325 PolarHBondContact O-N 3.39Å; L322-A326 VanDerWaalsContact O-CB 3.23Å; L322-A326 WeakPolarHBondContact O-CB 3.41Å; L322-A326 PolarHBondContact O-N 3.4Å; L322-V332 HydrophobicContact CB-CG1 3.76Å; L322-V332 HydrophobicContact CD1-CG1 4.37Å; L322-V334 HydrophobicContact CD1-CG2 3.91Å
323H96.9Very high96.8Very high118 Ų11862.9 Ų62.955%0.54633%0.333SS..Hα-helixtrans-61.8-30.8172.8-116.737.3000113R319 K320 E321 V332R319-H323 PolarHBondContact O-N 2.84Å; K320-H323 WeakPolarHBondContact O-CB 3.22Å; K320-H323 PolarHBondContact O-N 2.94Å; E321-H323 VanDerWaalsContact C-N 3.3Å; E321-H323 PolarHBondContact O-N 2.63Å; H323-V332 WeakPolarHBondContact ND1-CB 3.42Å; H323-V332 WeakPolarHBondContact ND1-CG2 3.36Å
324H96.6Very high96.9Very high143 Ų14363.1 Ų63.166%0.66233%0.33SS*.Hα-helixtrans-80.5-28.8178.4-64.465.5000111.7K320 E321 L322K320-H324 PolarHBondContact O-ND1 3.19Å; E321-H324 WeakPolarHBondContact O-CB 3.35Å; E321-H324 PolarHBondContact O-N 2.94Å; L322-H324 PolarHBondContact O-N 2.95Å
325L97.2Very high96.8Very high63 Ų6365.2 Ų65.233%0.3334%0.34SS..Hα-helixtrans-86.5-27.3178.9-64.6177.8000113.6N284 E321 L322N284-L325 HydrophobicContact CB-CB 4.21Å; N284-L325 HydrophobicContact CB-CD1 3.86Å; E321-L325 PolarHBondContact O-N 3.06Å; L322-L325 PolarHBondContact O-N 3.39Å
326A96.3Very high96.8Very high18 Ų1866.1 Ų66.115%0.14935%0.349CS..SBendtrans-67.2144.9-17400000112.5W299 L322 A330 V332W299-A326 HydrophobicContact CD2-CB 4.05Å; W299-A326 HydrophobicContact CE3-CB 3.83Å; W299-A326 HydrophobicContact CH2-CB 3.87Å; W299-A326 HydrophobicContact CZ2-CB 4.09Å; W299-A326 HydrophobicContact CZ3-CB 3.73Å; L322-A326 VanDerWaalsContact O-CB 3.23Å; L322-A326 WeakPolarHBondContact O-CB 3.41Å; L322-A326 PolarHBondContact O-N 3.4Å; A326-A330 HydrophobicContact CB-CB 4.1Å; A326-V332 HydrophobicContact CB-CG2 3.49Å; A326-V332 VanDerWaalsContact CB-CG2 3.49Å
327P94.8Very high96.7Very high73 Ų7363.8 Ų63.847%0.47434%0.342SS..PPolyproline II helixtrans-56.9149.5173-23.332.9000112.2G329 A330P327-G329 PolarHBondContact O-N 3.45Å; P327-A330 VanDerWaalsContact O-CB 3.24Å; P327-A330 WeakPolarHBondContact O-CB 3.36Å; P327-A330 PolarHBondContact O-N 2.78Å
328K91.8Very high96.5Very high219 Ų21968 Ų6895%0.95237%0.371SS*.THydrogen-bonded Turntrans-53.5127.7175.4-70.8-176179.6-179.50110.6
329G89.1Confident96.3Very high83 Ų8372.3 Ų72.386%0.85639%0.392SS*.THydrogen-bonded Turntrans86.5-6.4-179.200000115.3P327P327-G329 PolarHBondContact O-N 3.45Å
330A94Very high96.2Very high28 Ų2867.5 Ų67.523%0.23137%0.373CS..  trans-68.7132.9171.400000110.6W299 A326 P327W299-A330 HydrophobicContact CB-CB 4.37Å; W299-A330 HydrophobicContact CG-CB 4.14Å; A326-A330 HydrophobicContact CB-CB 4.1Å; P327-A330 VanDerWaalsContact O-CB 3.24Å; P327-A330 WeakPolarHBondContact O-CB 3.36Å; P327-A330 PolarHBondContact O-N 2.78Å
331T96.4Very high96.1Very high86 Ų8668.7 Ų68.753%0.52838%0.379SS..  trans-90.3105.4173.9-57.60000108.9W299 S300 K333W299-T331 CarbonylContact C-O 3.56Å; W299-T331 VanDerWaalsContact C-O 3.27Å; S300-T331 WeakPolarHBondContact CA-O 3.48Å; S300-T331 WeakPolarHBondContact CB-O 3.3Å; S300-T331 PolarHBondContact N-O 3.07Å; T331-K333 HydrophobicContact CG2-CG 4.21Å
332V98.1Very high96.1Very high9 Ų969.1 Ų69.16%0.05538%0.379CS..  trans-82120.9177.9-174.90000110.3W299 L322 H323 A326W299-V332 HydrophobicContact CE3-CG1 4.48Å; W299-V332 HydrophobicContact CE3-CG2 3.91Å; W299-V332 HydrophobicContact CZ3-CG2 4.36Å; W299-V332 CarbonylContact O-C 3.5Å; W299-V332 VanDerWaalsContact O-CA 3.28Å; W299-V332 WeakPolarHBondContact O-CA 3.32Å; L322-V332 HydrophobicContact CB-CG1 3.76Å; L322-V332 HydrophobicContact CD1-CG1 4.37Å; H323-V332 WeakPolarHBondContact ND1-CB 3.42Å; H323-V332 WeakPolarHBondContact ND1-CG2 3.36Å; A326-V332 HydrophobicContact CB-CG2 3.49Å; A326-V332 VanDerWaalsContact CB-CG2 3.49Å
333K98Very high96Very high115 Ų11569.5 Ų69.550%0.538%0.382SS..  trans-128.1120.8170.9-59.9-177.1178.4178.10110.2W299 S300 I302 T331W299-K333 PolarHBondContact O-N 2.82Å; S300-K333 WeakPolarHBondContact O-CB 3.47Å; I302-K333 WeakPolarHBondContact CB-O 3.37Å; I302-K333 PolarHBondContact N-O 3.21Å; T331-K333 HydrophobicContact CG2-CG 4.21Å
334V98.5Very high96Very high23 Ų2364.2 Ų64.214%0.13936%0.358CS..EExtended strand (participates in β ladder)trans-106122.1171.2179.80000107.2I302 L304 P315 L318 R319 L322I302-V334 HydrophobicContact CB-CG2 4.43Å; I302-V334 CarbonylContact O-C 3.49Å; I302-V334 WeakPolarHBondContact O-CA 3.33Å; L304-V334 HydrophobicContact CD1-CG1 3.71Å; L304-V334 HydrophobicContact CD2-CG1 3.99Å; L304-V334 HydrophobicContact CG-CG1 3.7Å; P315-V334 HydrophobicContact CB-CG1 4.42Å; L318-V334 HydrophobicContact CD2-CG1 4.14Å; L318-V334 HydrophobicContact CD2-CG2 4.43Å; L318-V334 HydrophobicContact CG-CG2 4.42Å; R319-V334 HydrophobicContact CB-CB 4.3Å; R319-V334 HydrophobicContact CB-CG2 3.93Å; R319-V334 HydrophobicContact CG-CG2 4.43Å; L322-V334 HydrophobicContact CD1-CG2 3.91Å
335M98Very high96.1Very high45 Ų4557.4 Ų57.422%0.22233%0.326CS..EExtended strand (participates in β ladder)trans-108125.1-179-64.9-179.1-74.100109.6R151 N301 I302 I303 L304R151-M335 PolarHBondContact NH2-SD 2.8Å; N301-M335 WeakPolarHBondContact OD1-CE 3.38Å; I302-M335 PolarHBondContact O-N 3.09Å; I303-M335 HydrophobicContact CD1-CE 4.13Å; I303-M335 HydrophobicContact CG1-CE 3.46Å; I303-M335 VanDerWaalsContact CG1-CE 3.46Å; L304-M335 PolarHBondContact N-O 2.86Å
336A97.7Very high96.2Very high36 Ų3655.2 Ų55.230%0.29831%0.314SS..  trans-131.993.2-178.600000108.2L304 P315L304-A336 HydrophobicContact CB-CB 4.38Å; L304-A336 HydrophobicContact CD1-CB 4.08Å; L304-A336 HydrophobicContact CG-CB 4.46Å; P315-A336 HydrophobicContact CB-CB 3.85Å; P315-A336 HydrophobicContact CG-CB 3.44Å; P315-A336 VanDerWaalsContact CG-CB 3.44Å
337S96.1Very high96.2Very high36 Ų3654.3 Ų54.325%0.25231%0.307SS..  trans-66.5148.4176.1126.10000110.1E339 R340S337-E339 VanDerWaalsContact C-N 3.25Å; S337-E339 WeakPolarHBondContact CB-OE1 3.39Å; S337-E339 PolarHBondContact O-N 3.38Å; S337-E339 WeakPolarHBondContact OG-CG 3.37Å; S337-E339 PolarHBondContact OG-N 3.09Å; S337-E339 PolarHBondContact OG-OE1 3.01Å; S337-E339 PolarHBondContact OG-OE2 2.83Å; S337-R340 VanDerWaalsContact O-CB 3.22Å; S337-R340 WeakPolarHBondContact O-CB 3.25Å; S337-R340 WeakPolarHBondContact O-CD 3.32Å; S337-R340 WeakPolarHBondContact O-CG 3.37Å; S337-R340 PolarHBondContact O-N 3.22Å; S337-R340 PolarHBondContact O-NH1 2.9Å; S337-R340 PolarHBondContact OG-N 2.69Å
338P95.8Very high96.3Very high103 Ų10350.9 Ų50.967%0.66929%0.285SS*.THydrogen-bonded Turntrans-57.9-38.2176-24.234.2000113R340P338-R340 VanDerWaalsContact C-N 3.29Å; P338-R340 PolarHBondContact O-N 3.01Å
339E94.6Very high96.6Very high92 Ų9240.5 Ų40.543%0.4324%0.24SC..THydrogen-bonded Turntrans-85.610.2179.262.8-71.815800113.9S337 K341 Y342 S343 I346S337-E339 VanDerWaalsContact C-N 3.25Å; S337-E339 WeakPolarHBondContact CB-OE1 3.39Å; S337-E339 PolarHBondContact O-N 3.38Å; S337-E339 WeakPolarHBondContact OG-CG 3.37Å; S337-E339 PolarHBondContact OG-N 3.09Å; S337-E339 PolarHBondContact OG-OE1 3.01Å; S337-E339 PolarHBondContact OG-OE2 2.83Å; E339-K341 PolarHBondContact O-N 2.87Å; E339-Y342 WeakPolarHBondContact O-CA 3.42Å; E339-Y342 PolarHBondContact O-N 3.18Å; E339-S343 PolarHBondContact O-N 2.87Å; E339-I346 HydrophobicContact CB-CD1 3.98Å; E339-I346 HydrophobicContact CG-CD1 3.59Å
340R96.5Very high96.9Very high26 Ų2639.2 Ų39.210%0.09822%0.215CC..THydrogen-bonded Turntrans-58.3-16.9-175.172.3-173173.7-77.42.7116.5L304 T305 G306 T309 M310 S337 P338 Y342 S343L304-R340 WeakPolarHBondContact O-CB 3.43Å; T305-R340 PolarHBondContact OG1-O 3.36Å; G306-R340 PolarHBondContact N-O 3.08Å; G306-R340 VanDerWaalsContact N-O 3.1Å; T309-R340 PolarHBondContact O-NE 3.07Å; T309-R340 PolarHBondContact O-NH2 2.85Å; T309-R340 WeakPolarHBondContact OG1-CD 3.19Å; T309-R340 PolarHBondContact OG1-NE 3.14Å; M310-R340 HydrophobicContact SD-CG 3.43Å; M310-R340 WeakPolarHBondContact SD-CG 2.93Å; M310-R340 VanDerWaalsContact SD-CZ 3.53Å; S337-R340 VanDerWaalsContact O-CB 3.22Å; S337-R340 WeakPolarHBondContact O-CB 3.25Å; S337-R340 WeakPolarHBondContact O-CD 3.32Å; S337-R340 WeakPolarHBondContact O-CG 3.37Å; S337-R340 PolarHBondContact O-N 3.22Å; S337-R340 PolarHBondContact O-NH1 2.9Å; S337-R340 PolarHBondContact OG-N 2.69Å; P338-R340 VanDerWaalsContact C-N 3.29Å; P338-R340 PolarHBondContact O-N 3.01Å; R340-Y342 PolarHBondContact O-N 3.1Å; R340-S343 WeakPolarHBondContact CA-OG 3.4Å; R340-S343 PolarHBondContact O-N 3.37Å
341K95.8Very high96.9Very high88 Ų8838.2 Ų38.238%0.38321%0.206SC..THydrogen-bonded Turntrans-61-23.1167.955.4165.4175.7166.80113.1K22 M310 E339K22-K341 VanDerWaalsContact CE-O 3.22Å; K22-K341 WeakPolarHBondContact CE-O 3.21Å; M310-K341 HydrophobicContact CE-CB 4.39Å; M310-K341 HydrophobicContact CE-CG 4.28Å; M310-K341 HydrophobicContact CG-CB 4.06Å; M310-K341 HydrophobicContact SD-CB 4.02Å; M310-K341 HydrophobicContact SD-CG 4.46Å; E339-K341 PolarHBondContact O-N 2.87Å
342Y96.5Very high96.9Very high48 Ų4834.4 Ų34.419%0.18818%0.183CC..SBendtrans-118.94.3-176.9-54.4-35000113K22 P31 V34 E339 R340 V344 W345 I346K22-Y342 HydrophobicContact CD-CD1 3.61Å; K22-Y342 HydrophobicContact CD-CE1 4.19Å; P31-Y342 HydrophobicContact CG-CD1 4.33Å; P31-Y342 HydrophobicContact CG-CD2 4.37Å; P31-Y342 HydrophobicContact CG-CE1 4.46Å; P31-Y342 HydrophobicContact CG-CG 4.27Å; V34-Y342 HydrophobicContact CG2-CE1 4.05Å; E339-Y342 WeakPolarHBondContact O-CA 3.42Å; E339-Y342 PolarHBondContact O-N 3.18Å; R340-Y342 PolarHBondContact O-N 3.1Å; Y342-V344 PolarHBondContact O-N 3.07Å; Y342-V344 VanDerWaalsContact O-N 3.13Å; Y342-W345 PolarHBondContact O-N 3.27Å; Y342-I346 WeakPolarHBondContact O-CG1 3.25Å; Y342-I346 PolarHBondContact O-N 3.37Å
343S97.5Very high96.6Very high8 Ų837 Ų376%0.05620%0.202CC..Hα-helixtrans-51.8-39.9-176.5-81.10000113.8A148 T305 E339 R340 G347A148-S343 WeakPolarHBondContact CB-O 3.42Å; T305-S343 WeakPolarHBondContact OG1-CB 3.48Å; E339-S343 PolarHBondContact O-N 2.87Å; R340-S343 WeakPolarHBondContact CA-OG 3.4Å; R340-S343 PolarHBondContact O-N 3.37Å; S343-G347 PolarHBondContact O-N 3.02Å
344V97.8Very high96.3Very high7 Ų734.6 Ų34.64%0.04219%0.194CC..Hα-helixtrans-58.2-52.2176.5174.90000110.9D15 T110 Q141 L144 S145 Y342 G347 G348D15-V344 HydrophobicContact CB-CG1 4.21Å; D15-V344 WeakPolarHBondContact OD1-CG1 3.26Å; T110-V344 HydrophobicContact CG2-CG1 3.8Å; Q141-V344 HydrophobicContact CB-CG1 3.87Å; Q141-V344 HydrophobicContact CB-CG2 3.91Å; Q141-V344 HydrophobicContact CG-CG1 3.7Å; Q141-V344 HydrophobicContact CG-CG2 4.39Å; L144-V344 HydrophobicContact CB-CG1 4.47Å; L144-V344 WeakPolarHBondContact CB-O 3.34Å; L144-V344 HydrophobicContact CD1-CG1 4.26Å; S145-V344 VanDerWaalsContact OG-CG2 3.25Å; S145-V344 WeakPolarHBondContact OG-CG2 3.5Å; Y342-V344 PolarHBondContact O-N 3.07Å; Y342-V344 VanDerWaalsContact O-N 3.13Å; V344-G347 PolarHBondContact O-N 3.36Å; V344-G348 PolarHBondContact O-N 3.27Å
345W98.4Very high95.7Very high0 Ų038.1 Ų38.10%022%0.22CC..Hα-helixtrans-65.8-44.7-179.4-179.790.1000111.7V13 D15 K22 E28 E30 P31 Y342 G347 G348 A349V13-W345 HydrophobicContact CG1-CG 4.25Å; V13-W345 PolarHBondContact O-NE1 2.93Å; V13-W345 VanDerWaalsContact O-NE1 3.09Å; D15-W345 HydrophobicContact CB-CB 4.06Å; K22-W345 HydrophobicContact CB-CB 4.25Å; K22-W345 HydrophobicContact CB-CG 4.22Å; K22-W345 HydrophobicContact CD-CB 4.32Å; E28-W345 HydrophobicContact CB-CH2 3.87Å; E30-W345 WeakPolarHBondContact O-CH2 3.35Å; E30-W345 WeakPolarHBondContact O-CZ3 3.33Å; P31-W345 HydrophobicContact CB-CD2 3.81Å; P31-W345 HydrophobicContact CB-CE3 4.16Å; P31-W345 HydrophobicContact CB-CG 4.19Å; P31-W345 HydrophobicContact CB-CZ2 4.32Å; P31-W345 HydrophobicContact CG-CD2 4.43Å; P31-W345 HydrophobicContact CG-CE3 4.42Å; P31-W345 VanDerWaalsContact N-CZ3 3.33Å; Y342-W345 PolarHBondContact O-N 3.27Å; W345-G347 PolarHBondContact O-N 2.89Å; W345-G348 PolarHBondContact O-N 3.25Å; W345-G348 VanDerWaalsContact O-N 3.11Å; W345-A349 HydrophobicContact CH2-CB 3.98Å; W345-A349 HydrophobicContact CZ2-CB 4.27Å; W345-A349 HydrophobicContact CZ3-CB 4.1Å; W345-A349 PolarHBondContact O-N 2.98Å
346I97.9Very high95.2Very high16 Ų1641.3 Ų41.38%0.08224%0.242CC..Hα-helixtrans-57.7-42.1176.1-66170.7000109.9A148 E339 Y342 A349 V350A148-I346 HydrophobicContact CB-CB 4.06Å; A148-I346 HydrophobicContact CB-CG2 3.86Å; E339-I346 HydrophobicContact CB-CD1 3.98Å; E339-I346 HydrophobicContact CG-CD1 3.59Å; Y342-I346 WeakPolarHBondContact O-CG1 3.25Å; Y342-I346 PolarHBondContact O-N 3.37Å; I346-A349 PolarHBondContact O-N 2.89Å; I346-V350 WeakPolarHBondContact O-CG2 3.16Å; I346-V350 PolarHBondContact O-N 2.86Å
347G97.3Very high94.7Very high0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-61.9-42.817700000113.5L144 S343 V344 W345 A349 V350 L351L144-G347 WeakPolarHBondContact O-CA 3.33Å; S343-G347 PolarHBondContact O-N 3.02Å; V344-G347 PolarHBondContact O-N 3.36Å; W345-G347 PolarHBondContact O-N 2.89Å; G347-A349 VanDerWaalsContact C-N 3.34Å; G347-V350 PolarHBondContact O-N 3.08Å; G347-L351 VanDerWaalsContact O-CB 3.31Å; G347-L351 WeakPolarHBondContact O-CB 3.49Å; G347-L351 PolarHBondContact O-N 3.04Å
348G97.3Very high94.3Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-62.4-41.4171.700000112V344 W345 V350 L351 A352V344-G348 PolarHBondContact O-N 3.27Å; W345-G348 PolarHBondContact O-N 3.25Å; W345-G348 VanDerWaalsContact O-N 3.11Å; G348-V350 PolarHBondContact O-N 3.35Å; G348-L351 PolarHBondContact O-N 2.93Å; G348-A352 VanDerWaalsContact O-CB 3.25Å; G348-A352 WeakPolarHBondContact O-CB 3.35Å; G348-A352 PolarHBondContact O-N 3.39Å
349A97.3Very high93.9Very high1 Ų143.1 Ų43.11%0.00823%0.232CC..Hα-helixtrans-65.4-39.7179.100000112.1V13 G27 W345 I346 G347 S353V13-A349 HydrophobicContact CG2-CB 4.42Å; G27-A349 PolarHBondContact N-O 2.58Å; W345-A349 HydrophobicContact CH2-CB 3.98Å; W345-A349 HydrophobicContact CZ2-CB 4.27Å; W345-A349 HydrophobicContact CZ3-CB 4.1Å; W345-A349 PolarHBondContact O-N 2.98Å; I346-A349 PolarHBondContact O-N 2.89Å; G347-A349 VanDerWaalsContact C-N 3.34Å; A349-S353 WeakPolarHBondContact O-CB 3.37Å; A349-S353 PolarHBondContact O-N 3.34Å; A349-S353 PolarHBondContact O-OG 3.42Å
350V95.6Very high93.8Very high56 Ų5642.2 Ų42.234%0.33923%0.229SC..Hα-helixtrans-64.3-54.3172.3170.40000110.1I346 G347 G348 A352 S353 L354I346-V350 WeakPolarHBondContact O-CG2 3.16Å; I346-V350 PolarHBondContact O-N 2.86Å; G347-V350 PolarHBondContact O-N 3.08Å; G348-V350 PolarHBondContact O-N 3.35Å; V350-A352 PolarHBondContact O-N 3.03Å; V350-S353 PolarHBondContact O-N 3.22Å; V350-S353 PolarHBondContact O-OG 3.07Å; V350-L354 WeakPolarHBondContact O-CG 3.47Å; V350-L354 PolarHBondContact O-N 3.47Å
351L94.9Very high93.7Very high8 Ų841.1 Ų41.14%0.04223%0.225CC..Hα-helixtrans-56.8-49-176.8-178.760.1000111.9L108 Y137 L144 Y147 G347 G348 S353 L354 F357L108-L351 HydrophobicContact CD1-CD2 4.35Å; Y137-L351 HydrophobicContact CE1-CD2 4.3Å; L144-L351 HydrophobicContact CD2-CB 4.4Å; L144-L351 HydrophobicContact CD2-CD2 3.61Å; Y147-L351 HydrophobicContact CD2-CD1 4.39Å; Y147-L351 HydrophobicContact CD2-CD2 4.37Å; Y147-L351 HydrophobicContact CE1-CD1 4.17Å; Y147-L351 HydrophobicContact CE2-CD1 3.95Å; Y147-L351 HydrophobicContact CE2-CD2 4.2Å; G347-L351 VanDerWaalsContact O-CB 3.31Å; G347-L351 WeakPolarHBondContact O-CB 3.49Å; G347-L351 PolarHBondContact O-N 3.04Å; G348-L351 PolarHBondContact O-N 2.93Å; L351-S353 PolarHBondContact O-N 3.11Å; L351-L354 HydrophobicContact CD1-CD1 4.31Å; L351-L354 WeakPolarHBondContact O-CB 3.22Å; L351-L354 PolarHBondContact O-N 2.87Å; L351-F357 HydrophobicContact CD1-CD2 3.59Å; L351-F357 HydrophobicContact CD1-CE2 3.89Å; L351-F357 HydrophobicContact CD1-CG 4.21Å; L351-F357 HydrophobicContact CD2-CD2 4.34Å; L351-F357 HydrophobicContact CD2-CE2 3.77Å; L351-F357 HydrophobicContact CD2-CZ 4.09Å; L351-F357 HydrophobicContact CG-CD2 3.75Å; L351-F357 HydrophobicContact CG-CE1 4.46Å; L351-F357 HydrophobicContact CG-CE2 3.65Å; L351-F357 HydrophobicContact CG-CG 4.21Å; L351-F357 HydrophobicContact CG-CZ 4.01Å; L351-F357 WeakPolarHBondContact O-CB 3.34Å; L351-F357 WeakPolarHBondContact O-CG 3.49Å
352A94.5Very high93.7Very high5 Ų536.9 Ų36.94%0.04121%0.207CC..Hα-helixtrans-67.1-18.3-179.600000113.7P11 V13 L108 G348 V350 W361P11-A352 HydrophobicContact CB-CB 3.95Å; P11-A352 HydrophobicContact CG-CB 4.34Å; V13-A352 HydrophobicContact CG2-CB 4.41Å; L108-A352 HydrophobicContact CD1-CB 4.02Å; G348-A352 VanDerWaalsContact O-CB 3.25Å; G348-A352 WeakPolarHBondContact O-CB 3.35Å; G348-A352 PolarHBondContact O-N 3.39Å; V350-A352 PolarHBondContact O-N 3.03Å; A352-W361 HydrophobicContact CB-CZ2 4.16Å
353S92.6Very high93.7Very high64 Ų6435.8 Ų35.845%0.44821%0.205SC..Hα-helixtrans-85.5-11.6176.475.10000114A349 V350 L351A349-S353 WeakPolarHBondContact O-CB 3.37Å; A349-S353 PolarHBondContact O-N 3.34Å; A349-S353 PolarHBondContact O-OG 3.42Å; V350-S353 PolarHBondContact O-N 3.22Å; V350-S353 PolarHBondContact O-OG 3.07Å; L351-S353 PolarHBondContact O-N 3.11Å
354L91.3Very high93.7Very high65 Ų6540 Ų4034%0.3422%0.219SC..  trans-75.3127.2-178.5-59.1179000110.6V350 L351 T356 F357V350-L354 WeakPolarHBondContact O-CG 3.47Å; V350-L354 PolarHBondContact O-N 3.47Å; L351-L354 HydrophobicContact CD1-CD1 4.31Å; L351-L354 WeakPolarHBondContact O-CB 3.22Å; L351-L354 PolarHBondContact O-N 2.87Å; L354-T356 PolarHBondContact O-N 3.11Å; L354-F357 HydrophobicContact CB-CB 4.12Å; L354-F357 VanDerWaalsContact O-CB 3.22Å; L354-F357 WeakPolarHBondContact O-CB 3.3Å; L354-F357 PolarHBondContact O-N 3.49Å
355S86.5Confident93.6Very high97 Ų9746.5 Ų46.568%0.67825%0.249SC*.G310 helixtrans-61-29.9178.3590000113.4F357 N358S355-F357 PolarHBondContact O-N 3.13Å; S355-N358 WeakPolarHBondContact O-CB 3.29Å; S355-N358 PolarHBondContact O-N 2.93Å; S355-N358 PolarHBondContact O-ND2 3.19Å
356T86.5Confident93.5Very high111 Ų11148.7 Ų48.768%0.68126%0.26SS*.G310 helixtrans-71.1-17.3176.453.40000112.6L354 N358L354-T356 PolarHBondContact O-N 3.11Å; T356-N358 VanDerWaalsContact C-N 3.31Å
357F88.9Confident93.5Very high9 Ų949 Ų494%0.03926%0.26CS..G310 helixtrans-80-13.6178.6-173.4-108.3000112.7L108 Y137 L351 L354 S355 E359 M360 W361L108-F357 HydrophobicContact CD1-CE1 4.26Å; L108-F357 HydrophobicContact CD1-CZ 4.21Å; Y137-F357 HydrophobicContact CD1-CE2 4.09Å; Y137-F357 AromaticContact CD1-CZ 3.46Å; Y137-F357 HydrophobicContact CD1-CZ 3.46Å; Y137-F357 VanDerWaalsContact CD1-CZ 3.46Å; Y137-F357 HydrophobicContact CD2-CE2 4.26Å; Y137-F357 AromaticContact CD2-CZ 3.87Å; Y137-F357 HydrophobicContact CD2-CZ 3.87Å; Y137-F357 AromaticContact CE1-CE2 3.85Å; Y137-F357 HydrophobicContact CE1-CE2 3.85Å; Y137-F357 AromaticContact CE1-CZ 3.71Å; Y137-F357 HydrophobicContact CE1-CZ 3.71Å; Y137-F357 HydrophobicContact CE2-CE2 4.09Å; Y137-F357 HydrophobicContact CE2-CZ 4.15Å; Y137-F357 HydrophobicContact CG-CE1 4.4Å; Y137-F357 HydrophobicContact CG-CE2 4.25Å; Y137-F357 AromaticContact CG-CZ 3.51Å; Y137-F357 HydrophobicContact CG-CZ 3.51Å; Y137-F357 AromaticContact CZ-CE2 3.87Å; L351-F357 HydrophobicContact CD1-CD2 3.59Å; L351-F357 HydrophobicContact CD1-CE2 3.89Å; L351-F357 HydrophobicContact CD1-CG 4.21Å; L351-F357 HydrophobicContact CD2-CD2 4.34Å; L351-F357 HydrophobicContact CD2-CE2 3.77Å; L351-F357 HydrophobicContact CD2-CZ 4.09Å; L351-F357 HydrophobicContact CG-CD2 3.75Å; L351-F357 HydrophobicContact CG-CE1 4.46Å; L351-F357 HydrophobicContact CG-CE2 3.65Å; L351-F357 HydrophobicContact CG-CG 4.21Å; L351-F357 HydrophobicContact CG-CZ 4.01Å; L351-F357 WeakPolarHBondContact O-CB 3.34Å; L351-F357 WeakPolarHBondContact O-CG 3.49Å; L354-F357 HydrophobicContact CB-CB 4.12Å; L354-F357 VanDerWaalsContact O-CB 3.22Å; L354-F357 WeakPolarHBondContact O-CB 3.3Å; L354-F357 PolarHBondContact O-N 3.49Å; S355-F357 PolarHBondContact O-N 3.13Å; F357-E359 PolarHBondContact O-N 2.81Å; F357-M360 HydrophobicContact CD2-CB 3.76Å; F357-M360 HydrophobicContact CD2-CG 3.87Å; F357-M360 HydrophobicContact CE2-CB 3.69Å; F357-M360 HydrophobicContact CE2-CG 4.16Å; F357-M360 HydrophobicContact CG-CB 4.42Å; F357-M360 HydrophobicContact CZ-CB 4.3Å; F357-M360 WeakPolarHBondContact O-CB 3.15Å; F357-M360 PolarHBondContact O-N 3.37Å; F357-W361 AromaticContact CD1-CE2 3.83Å; F357-W361 HydrophobicContact CD1-CZ2 4.03Å; F357-W361 AromaticContact CD1-NE1 3.61Å; F357-W361 HydrophobicContact CE1-CD2 4.11Å; F357-W361 AromaticContact CE1-CE2 3.52Å; F357-W361 HydrophobicContact CE1-CH2 4.16Å; F357-W361 AromaticContact CE1-CZ2 3.56Å; F357-W361 HydrophobicContact CE1-CZ2 3.56Å; F357-W361 AromaticContact CE1-NE1 3.77Å
358N86.4Confident93.4Very high42 Ų4254.3 Ų54.323%0.22529%0.288CS..G310 helixtrans-57.9-26.7-177.4-73.8-26.3000114.1S355 T356S355-N358 WeakPolarHBondContact O-CB 3.29Å; S355-N358 PolarHBondContact O-N 2.93Å; S355-N358 PolarHBondContact O-ND2 3.19Å; T356-N358 VanDerWaalsContact C-N 3.31Å
359E87.9Confident93.4Very high162 Ų16261.2 Ų61.276%0.75732%0.321SS*.G310 helixtrans-81.8-16.9179.2-62.2178.8-179.700113.1F357 K378F357-E359 PolarHBondContact O-N 2.81Å; E359-K378 PolarHBondContact O-NZ 3.12Å
360M91.9Very high93.4Very high74 Ų7466.3 Ų66.337%0.36534%0.343SS..THydrogen-bonded Turntrans-83-19.8-176.1-62.6-57.2-60.800113.5Y137 F357 K378Y137-M360 HydrophobicContact CD2-CB 4.37Å; Y137-M360 WeakPolarHBondContact CD2-O 3.39Å; Y137-M360 HydrophobicContact CE2-CB 4.1Å; Y137-M360 HydrophobicContact CE2-CE 4.41Å; F357-M360 HydrophobicContact CD2-CB 3.76Å; F357-M360 HydrophobicContact CD2-CG 3.87Å; F357-M360 HydrophobicContact CE2-CB 3.69Å; F357-M360 HydrophobicContact CE2-CG 4.16Å; F357-M360 HydrophobicContact CG-CB 4.42Å; F357-M360 HydrophobicContact CZ-CB 4.3Å; F357-M360 WeakPolarHBondContact O-CB 3.15Å; F357-M360 PolarHBondContact O-N 3.37Å; M360-K378 WeakPolarHBondContact CE-O 3.26Å
361W95Very high93.3Very high2 Ų265.1 Ų65.11%0.00834%0.341CS..SBendtrans-59.9139.5176.7-66.9103.9000111.1F5 P11 P106 M107 L108 A135 A352 F357 K378F5-W361 AromaticContact CE2-CD1 3.72Å; F5-W361 HydrophobicContact CE2-CD2 4.46Å; F5-W361 HydrophobicContact CE2-CG 4.12Å; F5-W361 AromaticContact CE2-NE1 3.82Å; P11-W361 HydrophobicContact CB-CH2 3.93Å; P11-W361 HydrophobicContact CB-CZ2 3.79Å; P11-W361 HydrophobicContact CG-CH2 4.43Å; P11-W361 HydrophobicContact CG-CZ2 3.81Å; P106-W361 HydrophobicContact CB-CD2 4.34Å; P106-W361 HydrophobicContact CB-CE3 4.15Å; P106-W361 HydrophobicContact CB-CH2 3.77Å; P106-W361 HydrophobicContact CB-CZ2 3.97Å; P106-W361 HydrophobicContact CB-CZ3 3.87Å; M107-W361 WeakPolarHBondContact O-CZ3 3.4Å; L108-W361 HydrophobicContact CB-CH2 3.87Å; L108-W361 HydrophobicContact CB-CZ3 4.29Å; A135-W361 HydrophobicContact CB-CB 3.98Å; A135-W361 HydrophobicContact CB-CD2 4.42Å; A135-W361 HydrophobicContact CB-CE3 4.23Å; A135-W361 HydrophobicContact CB-CG 4.35Å; A352-W361 HydrophobicContact CB-CZ2 4.16Å; F357-W361 AromaticContact CD1-CE2 3.83Å; F357-W361 HydrophobicContact CD1-CZ2 4.03Å; F357-W361 AromaticContact CD1-NE1 3.61Å; F357-W361 HydrophobicContact CE1-CD2 4.11Å; F357-W361 AromaticContact CE1-CE2 3.52Å; F357-W361 HydrophobicContact CE1-CH2 4.16Å; F357-W361 AromaticContact CE1-CZ2 3.56Å; F357-W361 HydrophobicContact CE1-CZ2 3.56Å; F357-W361 AromaticContact CE1-NE1 3.77Å; W361-K378 PolarHBondContact O-NZ 2.9Å
362V96.8Very high93.3Very high0 Ų066.7 Ų66.70%035%0.35CS..EExtended strand (participates in β ladder)trans-84.4118.1161176.80000106.8F128 A135 V136 E366 I374 L375 K378F128-V362 HydrophobicContact CE2-CG1 4.19Å; F128-V362 HydrophobicContact CZ-CB 4.42Å; F128-V362 HydrophobicContact CZ-CG1 4.01Å; F128-V362 WeakPolarHBondContact CZ-O 3.31Å; A135-V362 CarbonylContact C-O 3.48Å; A135-V362 WeakPolarHBondContact CA-O 3.39Å; A135-V362 WeakPolarHBondContact CB-O 3.11Å; V136-V362 PolarHBondContact N-O 3.41Å; V136-V362 WeakPolarHBondContact O-CB 3.34Å; V136-V362 PolarHBondContact O-N 3.34Å; V362-E366 WeakPolarHBondContact CA-OE2 3.34Å; V362-E366 HydrophobicContact CG1-CB 4.42Å; V362-I374 HydrophobicContact CB-CG2 4.47Å; V362-I374 HydrophobicContact CG1-CG1 4.47Å; V362-I374 HydrophobicContact CG1-CG2 3.45Å; V362-I374 VanDerWaalsContact CG1-CG2 3.45Å; V362-I374 HydrophobicContact CG2-CG1 4.4Å; V362-I374 HydrophobicContact CG2-CG2 4.16Å; V362-L375 HydrophobicContact CB-CD2 4.38Å; V362-L375 HydrophobicContact CG2-CD2 3.99Å; V362-K378 HydrophobicContact CG2-CB 4.07Å; V362-K378 HydrophobicContact CG2-CD 4.07Å; V362-K378 HydrophobicContact CG2-CG 4.49Å
363T96.4Very high93.2Very high24 Ų2473.2 Ų73.215%0.14738%0.379CS..EExtended strand (participates in β ladder)trans-83.2159.3178.375.50000111L3 E365 E366 Y367L3-T363 HydrophobicContact CD1-CG2 3.23Å; L3-T363 HydrophobicContact CG-CG2 4.34Å; T363-E365 PolarHBondContact O-N 2.86Å; T363-E365 PolarHBondContact OG1-N 3.02Å; T363-E366 PolarHBondContact N-OE2 3.12Å; T363-E366 PolarHBondContact O-N 2.88Å; T363-E366 WeakPolarHBondContact OG1-CG 3.19Å; T363-E366 PolarHBondContact OG1-N 2.84Å; T363-Y367 PolarHBondContact O-N 3.46Å
364R96.2Very high93.3Very high97 Ų9770.7 Ų70.737%0.36636%0.361SS..Hα-helixtrans-60.3-32.2172.8-170.5174.3-177.2-178.12112.3F128 H132 P134 N368F128-R364 HydrophobicContact CD1-CB 3.92Å; F128-R364 HydrophobicContact CD1-CG 4.03Å; F128-R364 HydrophobicContact CE1-CB 3.97Å; H132-R364 PolarHBondContact ND1-NH2 2.93Å; P134-R364 PolarHBondContact O-N 3.4Å; R364-N368 WeakPolarHBondContact O-CB 3.35Å; R364-N368 PolarHBondContact O-N 2.65Å; R364-N368 PolarHBondContact O-ND2 3.03Å
365E95.9Very high93.4Very high144 Ų14467.6 Ų67.667%0.67335%0.345SS*.Hα-helixtrans-64.6-48.2174-65.8176.7177.600111.1T363 Y367 N368 E369T363-E365 PolarHBondContact O-N 2.86Å; T363-E365 PolarHBondContact OG1-N 3.02Å; E365-Y367 VanDerWaalsContact C-N 3.33Å; E365-Y367 PolarHBondContact O-N 2.7Å; E365-N368 PolarHBondContact O-N 2.87Å; E365-E369 WeakPolarHBondContact O-CB 3.46Å; E365-E369 PolarHBondContact O-N 3.19Å
366E96.5Very high93.7Very high45 Ų4565 Ų6521%0.2132%0.322CS..Hα-helixtrans-62.8-39.2176.2-71.2173.1149.500111.9V362 T363 E369 F370 I374 K378V362-E366 WeakPolarHBondContact CA-OE2 3.34Å; V362-E366 HydrophobicContact CG1-CB 4.42Å; T363-E366 PolarHBondContact N-OE2 3.12Å; T363-E366 PolarHBondContact O-N 2.88Å; T363-E366 WeakPolarHBondContact OG1-CG 3.19Å; T363-E366 PolarHBondContact OG1-N 2.84Å; E366-E369 PolarHBondContact O-N 2.66Å; E366-F370 HydrophobicContact CB-CD2 4.25Å; E366-F370 WeakPolarHBondContact O-CB 3.24Å; E366-F370 WeakPolarHBondContact O-CD2 3.42Å; E366-F370 PolarHBondContact O-N 3.21Å; E366-I374 HydrophobicContact CB-CG1 4.47Å; E366-K378 IonicContact OE1-NZ 3.74Å; E366-K378 PolarHBondContact OE1-NZ 3.15Å; E366-K378 IonicContact OE2-NZ 2.7Å; E366-K378 PolarHBondContact OE2-NZ 3.21Å
367Y97.2Very high93.9Very high22 Ų2266.4 Ų66.49%0.08632%0.321CS..Hα-helixtrans-59.9-45.4173.2171.7-106.1000111.8F128 E129 T363 E365 E369 G371 L372F128-Y367 HydrophobicContact CB-CD1 3.82Å; F128-Y367 HydrophobicContact CB-CE1 3.87Å; F128-Y367 HydrophobicContact CB-CG 4.32Å; F128-Y367 AromaticContact CD2-CD1 3.97Å; F128-Y367 HydrophobicContact CD2-CD1 3.97Å; F128-Y367 AromaticContact CD2-CD2 3.68Å; F128-Y367 HydrophobicContact CD2-CD2 3.68Å; F128-Y367 HydrophobicContact CD2-CE1 4.44Å; F128-Y367 HydrophobicContact CD2-CE2 4.17Å; F128-Y367 AromaticContact CD2-CG 3.56Å; F128-Y367 HydrophobicContact CD2-CG 3.56Å; F128-Y367 HydrophobicContact CE2-CD2 4.05Å; F128-Y367 AromaticContact CE2-CG 3.95Å; F128-Y367 HydrophobicContact CE2-CG 3.95Å; F128-Y367 AromaticContact CG-CD1 3.91Å; F128-Y367 HydrophobicContact CG-CD1 3.91Å; F128-Y367 HydrophobicContact CG-CD2 4.44Å; F128-Y367 HydrophobicContact CG-CE1 4.38Å; F128-Y367 AromaticContact CG-CG 3.93Å; F128-Y367 HydrophobicContact CG-CG 3.93Å; E129-Y367 HydrophobicContact CG-CE1 4.22Å; E129-Y367 PolarHBondContact OE1-OH 3.2Å; T363-Y367 PolarHBondContact O-N 3.46Å; E365-Y367 VanDerWaalsContact C-N 3.33Å; E365-Y367 PolarHBondContact O-N 2.7Å; Y367-E369 VanDerWaalsContact C-N 3.34Å; Y367-E369 PolarHBondContact O-N 2.97Å; Y367-G371 WeakPolarHBondContact O-CA 3.4Å; Y367-G371 PolarHBondContact O-N 3.3Å; Y367-L372 HydrophobicContact CD2-CD2 4.34Å; Y367-L372 HydrophobicContact CE2-CD2 3.62Å; Y367-L372 HydrophobicContact CE2-CG 3.9Å
368N97.1Very high94Very high113 Ų11368 Ų6860%0.60433%0.327SS*.Hα-helixtrans-69-31.5179.5-67.8-24.4000112.7R364 E365R364-N368 WeakPolarHBondContact O-CB 3.35Å; R364-N368 PolarHBondContact O-N 2.65Å; R364-N368 PolarHBondContact O-ND2 3.03Å; E365-N368 PolarHBondContact O-N 2.87Å
369E96.9Very high93.8Very high144 Ų14466 Ų6667%0.67332%0.317SS*.Hα-helixtrans-82.4-45.8-178.6-174.9175.5178.800112.8E365 E366 Y367E365-E369 WeakPolarHBondContact O-CB 3.46Å; E365-E369 PolarHBondContact O-N 3.19Å; E366-E369 PolarHBondContact O-N 2.66Å; Y367-E369 VanDerWaalsContact C-N 3.34Å; Y367-E369 PolarHBondContact O-N 2.97Å
370F96.1Very high92.8Very high109 Ų10963.7 Ų63.748%0.47831%0.314SS..Hα-helixtrans-106.8-5.1-172.6-56.7-71000113.5E366 I374E366-F370 HydrophobicContact CB-CD2 4.25Å; E366-F370 WeakPolarHBondContact O-CB 3.24Å; E366-F370 WeakPolarHBondContact O-CD2 3.42Å; E366-F370 PolarHBondContact O-N 3.21Å; F370-I374 HydrophobicContact CB-CB 4.09Å; F370-I374 HydrophobicContact CD2-CD1 4.48Å
371G95.1Very high92.9Very high30 Ų3063.2 Ų63.231%0.30931%0.311SS..G310 helixtrans66.3-155.2-174.200000112.6Y367 E373 I374Y367-G371 WeakPolarHBondContact O-CA 3.4Å; Y367-G371 PolarHBondContact O-N 3.3Å; G371-E373 VanDerWaalsContact C-N 3.3Å; G371-E373 PolarHBondContact O-N 3.42Å; G371-I374 VanDerWaalsContact O-CG2 3.26Å; G371-I374 WeakPolarHBondContact O-CG2 3.3Å
372L93.4Very high92.7Very high42 Ų4266.4 Ų66.422%0.2233%0.327CS..G310 helixtrans-72.9-18.4-177.2-71.6162.6000114E121 A124 E125 Y367 I374 L375E121-L372 HydrophobicContact CB-CB 4.4Å; E121-L372 HydrophobicContact CB-CD1 3.99Å; E121-L372 HydrophobicContact CB-CD2 4.05Å; E121-L372 HydrophobicContact CB-CG 4.37Å; E121-L372 HydrophobicContact CG-CB 4.04Å; E121-L372 HydrophobicContact CG-CD1 4.43Å; E121-L372 HydrophobicContact CG-CD2 4.48Å; E121-L372 WeakPolarHBondContact O-CD2 3.21Å; A124-L372 HydrophobicContact CB-CD2 4.33Å; E125-L372 HydrophobicContact CB-CD2 4.42Å; Y367-L372 HydrophobicContact CD2-CD2 4.34Å; Y367-L372 HydrophobicContact CE2-CD2 3.62Å; Y367-L372 HydrophobicContact CE2-CG 3.9Å; L372-I374 PolarHBondContact O-N 3.3Å; L372-L375 HydrophobicContact CB-CD1 4.45Å; L372-L375 HydrophobicContact CD2-CD1 3.72Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 2.99Å; L372-L375 VanDerWaalsContact O-N 3.15Å
373E92.9Very high92.5Very high141 Ų14170.1 Ų70.166%0.65935%0.345SS*.G310 helixtrans-63-28-176.1-67.3-169.2168.600113.1G371 L375 H376G371-E373 VanDerWaalsContact C-N 3.3Å; G371-E373 PolarHBondContact O-N 3.42Å; E373-L375 PolarHBondContact O-N 2.61Å; E373-H376 PolarHBondContact O-N 2.98Å
374I94.5Very high92.3Very high11 Ų1172.8 Ų72.86%0.05636%0.357CS..G310 helixtrans-59.7-28.7177.9-167.261.4000112.6V362 E366 F370 G371 L372 H376 Q377 K378V362-I374 HydrophobicContact CB-CG2 4.47Å; V362-I374 HydrophobicContact CG1-CG1 4.47Å; V362-I374 HydrophobicContact CG1-CG2 3.45Å; V362-I374 VanDerWaalsContact CG1-CG2 3.45Å; V362-I374 HydrophobicContact CG2-CG1 4.4Å; V362-I374 HydrophobicContact CG2-CG2 4.16Å; E366-I374 HydrophobicContact CB-CG1 4.47Å; F370-I374 HydrophobicContact CB-CB 4.09Å; F370-I374 HydrophobicContact CD2-CD1 4.48Å; G371-I374 VanDerWaalsContact O-CG2 3.26Å; G371-I374 WeakPolarHBondContact O-CG2 3.3Å; L372-I374 PolarHBondContact O-N 3.3Å; I374-H376 VanDerWaalsContact C-N 3.26Å; I374-H376 PolarHBondContact O-N 3.19Å; I374-Q377 PolarHBondContact O-N 3.17Å; I374-Q377 VanDerWaalsContact O-N 3.12Å; I374-K378 PolarHBondContact O-N 3.48Å; I374-K378 VanDerWaalsContact O-N 3.08Å
375L93.9Very high92Very high0 Ų071.3 Ų71.30%036%0.356CS..Hα-helixtrans-61.7-36.7176.1-65.7160.8000111.2A124 I138 V362 L372 E373 Q377 C379A124-L375 HydrophobicContact CB-CD1 3.34Å; A124-L375 HydrophobicContact CB-CD2 3.83Å; A124-L375 HydrophobicContact CB-CG 4.21Å; I138-L375 HydrophobicContact CD1-CD2 4.46Å; V362-L375 HydrophobicContact CB-CD2 4.38Å; V362-L375 HydrophobicContact CG2-CD2 3.99Å; L372-L375 HydrophobicContact CB-CD1 4.45Å; L372-L375 HydrophobicContact CD2-CD1 3.72Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 2.99Å; L372-L375 VanDerWaalsContact O-N 3.15Å; E373-L375 PolarHBondContact O-N 2.61Å; L375-Q377 PolarHBondContact O-N 3.44Å; L375-C379 WeakPolarHBondContact O-CA 3.07Å; L375-C379 WeakPolarHBondContact O-CB 3.45Å; L375-C379 PolarHBondContact O-N 3.38Å
376H92.8Very high91.8Very high44 Ų4466.5 Ų66.520%0.20434%0.335CS..Hα-helixtrans-77.5-9.4-179.2-56.1-54.9000113.2E121 E373 I374 V380E121-H376 IonicContact OE1-CD2 2.8Å; E121-H376 IonicContact OE1-CE1 2.81Å; E121-H376 IonicContact OE1-NE2 3.21Å; E121-H376 PolarHBondContact OE1-NE2 3.4Å; E373-H376 PolarHBondContact O-N 2.98Å; I374-H376 VanDerWaalsContact C-N 3.26Å; I374-H376 PolarHBondContact O-N 3.19Å; H376-V380 WeakPolarHBondContact O-CG2 3.35Å
377Q89.9Confident91.5Very high140 Ų14068 Ų6865%0.65434%0.344SS*.Hα-helixtrans-94.8-40.2175-58-17916.200111.5I374 L375I374-Q377 PolarHBondContact O-N 3.17Å; I374-Q377 VanDerWaalsContact O-N 3.12Å; L375-Q377 PolarHBondContact O-N 3.44Å
378K90.4Very high91Very high42 Ų4271.5 Ų71.518%0.18336%0.364CS..Hα-helixtrans-96.3-34.3-176.5-69-163.9179-175.80114.8Y137 E359 M360 W361 V362 E366 I374 V380Y137-K378 WeakPolarHBondContact CE2-O 3.49Å; E359-K378 PolarHBondContact O-NZ 3.12Å; M360-K378 WeakPolarHBondContact CE-O 3.26Å; W361-K378 PolarHBondContact O-NZ 2.9Å; V362-K378 HydrophobicContact CG2-CB 4.07Å; V362-K378 HydrophobicContact CG2-CD 4.07Å; V362-K378 HydrophobicContact CG2-CG 4.49Å; E366-K378 IonicContact OE1-NZ 3.74Å; E366-K378 PolarHBondContact OE1-NZ 3.15Å; E366-K378 IonicContact OE2-NZ 2.7Å; E366-K378 PolarHBondContact OE2-NZ 3.21Å; I374-K378 PolarHBondContact O-N 3.48Å; I374-K378 VanDerWaalsContact O-N 3.08Å; K378-V380 PolarHBondContact O-N 2.85Å
379C83.5Confident90.5Very high1 Ų168.1 Ų68.11%0.00734%0.344CS..  trans-99.863.4-175.8-560000110.6R120 Y137 I138 L375R120-C379 PolarHBondContact NH1-O 2.87Å; Y137-C379 HydrophobicContact CE2-CB 4.4Å; I138-C379 HydrophobicContact CB-CB 4.49Å; I138-C379 WeakPolarHBondContact O-CB 3.48Å; L375-C379 WeakPolarHBondContact O-CA 3.07Å; L375-C379 WeakPolarHBondContact O-CB 3.45Å; L375-C379 PolarHBondContact O-N 3.38Å
380V66.9Low89.9Confident113 Ų11361.2 Ų61.269%0.68531%0.314SS*.  trans-101.60-177.1-169.50000111.8H376 K378H376-V380 WeakPolarHBondContact O-CG2 3.35Å; K378-V380 PolarHBondContact O-N 2.85Å

Retrieved 380 of 380 residues in 107.6 ms (Link to these results)

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