A0A087WYL3_HUMAN Loading...

Interphotoreceptor matrix proteoglycan 1

Chondroitin sulfate-, heparin- and hyaluronan-binding protein. May serve to form a basic macromolecular scaffold comprising the insoluble interphotoreceptor matrix.

AlphaFold DB , UniProt , Accession A0A087WYL3, Species HUMAN (Homo sapiens, Human), Gene IMPG1, Length 719 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.7Very low44.3Very low184 Ų18485.5 Ų85.591%0.90643%0.427SS*.  0-80.30-117.8170.977.200113.4L3 E4 T5M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 2.89Å; M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.46Å; M1-E4 WeakPolarHBondContact O-CA 3.45Å; M1-E4 WeakPolarHBondContact O-CB 3.41Å; M1-E4 PolarHBondContact O-N 3Å; M1-T5 PolarHBondContact O-N 3.26Å; M1-T5 PolarHBondContact O-OG1 3.32Å
2Y36.2Very low44.4Very low149 Ų14990.8 Ų90.858%0.58445%0.445SS*.Hα-helixtrans-50.2-42.2-168.8-171.9-98.6000114.7T5 R6Y2-T5 PolarHBondContact O-N 3.46Å; Y2-R6 PolarHBondContact O-N 3.28Å; Y2-R6 PolarHBondContact OH-NE 2.98Å; Y2-R6 PolarHBondContact OH-NH2 3.5Å
3L39.1Very low44.7Very low25 Ų2592.5 Ų92.513%0.13144%0.444CS..Hα-helixtrans-72.2-31178.5-143.895.9000113.7M1 R7 I34 F35 H72M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 2.89Å; L3-R7 WeakPolarHBondContact O-CB 3.49Å; L3-R7 WeakPolarHBondContact O-CG 3.49Å; L3-R7 PolarHBondContact O-N 3.43Å; L3-I34 WeakPolarHBondContact CD1-O 3.35Å; L3-F35 HydrophobicContact CD2-CD1 3.87Å; L3-F35 HydrophobicContact CD2-CE1 4Å; L3-H72 WeakPolarHBondContact CD2-CE1 3.45Å; L3-H72 VanDerWaalsContact CD2-NE2 3.32Å; L3-H72 WeakPolarHBondContact CD2-NE2 3.06Å
4E39.6Very low45.4Very low127 Ų12787.4 Ų87.459%0.59342%0.42SS*.Hα-helixtrans-75.4-35.1175.1-67.8147.5117.800111M1 R7 A8M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.46Å; M1-E4 WeakPolarHBondContact O-CA 3.45Å; M1-E4 WeakPolarHBondContact O-CB 3.41Å; M1-E4 PolarHBondContact O-N 3Å; E4-R7 PolarHBondContact O-N 3.37Å; E4-A8 WeakPolarHBondContact O-CB 3.49Å; E4-A8 PolarHBondContact O-N 2.9Å
5T41.3Very low45.7Very low78 Ų7892.8 Ų92.848%0.47944%0.441SS..Hα-helixtrans-62.2-46.1170.7-46.40000110.7M1 Y2 A8 I9M1-T5 PolarHBondContact O-N 3.26Å; M1-T5 PolarHBondContact O-OG1 3.32Å; Y2-T5 PolarHBondContact O-N 3.46Å; T5-A8 PolarHBondContact O-N 2.77Å; T5-I9 HydrophobicContact CG2-CD1 4.32Å; T5-I9 WeakPolarHBondContact O-CG1 3.42Å; T5-I9 PolarHBondContact O-N 3.3Å
6R48.1Very low45.8Very low52 Ų5295.3 Ų95.320%0.19646%0.457CS..Hα-helixtrans-62.8-42172.5-78.7-179.4165.1-169.72.5112.5Y2 A8 I9 F10 R33 I34 D37Y2-R6 PolarHBondContact O-N 3.28Å; Y2-R6 PolarHBondContact OH-NE 2.98Å; Y2-R6 PolarHBondContact OH-NH2 3.5Å; R6-A8 VanDerWaalsContact C-N 3.35Å; R6-A8 PolarHBondContact O-N 3.37Å; R6-I9 PolarHBondContact O-N 2.87Å; R6-F10 WeakPolarHBondContact O-CB 3.47Å; R6-F10 PolarHBondContact O-N 2.84Å; R6-R33 PolarHBondContact NH1-O 3.17Å; R6-I34 HydrophobicContact CB-CB 4.43Å; R6-I34 HydrophobicContact CB-CD1 4.3Å; R6-I34 HydrophobicContact CB-CG1 4.11Å; R6-I34 HydrophobicContact CB-CG2 3.66Å; R6-I34 HydrophobicContact CG-CG1 4.44Å; R6-I34 PolarHBondContact NH1-O 3.15Å; R6-D37 IonicContact CZ-OD1 2.65Å; R6-D37 IonicContact NH1-OD1 3.62Å; R6-D37 PolarHBondContact NH1-OD1 3.05Å; R6-D37 IonicContact NH1-OD2 3.11Å; R6-D37 IonicContact NH2-OD1 2.58Å; R6-D37 PolarHBondContact NH2-OD1 3.49Å
7R46.3Very low45.9Very low85 Ų8594.4 Ų94.432%0.32145%0.452SS..Hα-helixtrans-59-41.9173-84.3176.9135.3167.10.3112.7L3 E4 F10 V11 F35 G63 S67L3-R7 WeakPolarHBondContact O-CB 3.49Å; L3-R7 WeakPolarHBondContact O-CG 3.49Å; L3-R7 PolarHBondContact O-N 3.43Å; E4-R7 PolarHBondContact O-N 3.37Å; R7-F10 PolarHBondContact O-N 3.23Å; R7-V11 WeakPolarHBondContact O-CG2 3.33Å; R7-V11 PolarHBondContact O-N 3.5Å; R7-F35 HydrophobicContact CG-CE1 3.97Å; R7-F35 HydrophobicContact CG-CZ 3.68Å; R7-G63 PolarHBondContact NH2-O 2.87Å; R7-S67 PolarHBondContact NH2-OG 2.94Å
8A45Very low46.1Very low61 Ų6196.4 Ų96.450%0.50447%0.471SS..Hα-helixtrans-64.1-43.817700000111.2E4 T5 R6 F12E4-A8 WeakPolarHBondContact O-CB 3.49Å; E4-A8 PolarHBondContact O-N 2.9Å; T5-A8 PolarHBondContact O-N 2.77Å; R6-A8 VanDerWaalsContact C-N 3.35Å; R6-A8 PolarHBondContact O-N 3.37Å; A8-F12 WeakPolarHBondContact O-CB 3.46Å; A8-F12 PolarHBondContact O-N 3.05Å
9I49.8Very low45.7Very low105 Ų105100.4 Ų100.454%0.53849%0.489SS..Hα-helixtrans-61.3-47174.7-67.3163.3000110.9T5 R6 F12 W13T5-I9 HydrophobicContact CG2-CD1 4.32Å; T5-I9 WeakPolarHBondContact O-CG1 3.42Å; T5-I9 PolarHBondContact O-N 3.3Å; R6-I9 PolarHBondContact O-N 2.87Å; I9-F12 PolarHBondContact O-N 3.04Å; I9-W13 VanDerWaalsContact O-CB 3.28Å; I9-W13 WeakPolarHBondContact O-CB 3.29Å; I9-W13 PolarHBondContact O-N 3.45Å
10F49.1Very low46.1Very low8 Ų898.5 Ų98.54%0.03550%0.496CS..Hα-helixtrans-57.6-49.4177.6179.3-104.3000112.8R6 R7 I14 A27 E30 A31 I34 L59R6-F10 WeakPolarHBondContact O-CB 3.47Å; R6-F10 PolarHBondContact O-N 2.84Å; R7-F10 PolarHBondContact O-N 3.23Å; F10-I14 HydrophobicContact CD1-CD1 4.46Å; F10-I14 HydrophobicContact CD2-CD1 3.92Å; F10-I14 HydrophobicContact CE1-CD1 4.25Å; F10-I14 HydrophobicContact CE2-CD1 3.68Å; F10-I14 HydrophobicContact CG-CD1 4.32Å; F10-I14 HydrophobicContact CZ-CD1 3.87Å; F10-I14 WeakPolarHBondContact O-CG1 3.25Å; F10-I14 PolarHBondContact O-N 3.48Å; F10-A27 VanDerWaalsContact CE2-O 3.28Å; F10-A27 WeakPolarHBondContact CE2-O 3.38Å; F10-A27 HydrophobicContact CZ-CB 4.31Å; F10-A27 WeakPolarHBondContact CZ-O 3.26Å; F10-E30 HydrophobicContact CD2-CB 3.7Å; F10-E30 HydrophobicContact CE2-CB 3.7Å; F10-A31 HydrophobicContact CE2-CB 4.32Å; F10-A31 HydrophobicContact CZ-CB 4.18Å; F10-I34 HydrophobicContact CB-CD1 3.72Å; F10-I34 HydrophobicContact CD2-CD1 3.85Å; F10-I34 HydrophobicContact CG-CD1 4.12Å; F10-L59 HydrophobicContact CE1-CD1 3.6Å; F10-L59 HydrophobicContact CE1-CD2 4.25Å; F10-L59 HydrophobicContact CE1-CG 3.87Å; F10-L59 HydrophobicContact CZ-CD1 3.64Å; F10-L59 HydrophobicContact CZ-CG 4.42Å
11V54.4Low46.3Very low67 Ų6798.5 Ų98.541%0.40650%0.501SS..Hα-helixtrans-64.5-41.4177.4171.70000110.9R7 F15R7-V11 WeakPolarHBondContact O-CG2 3.33Å; R7-V11 PolarHBondContact O-N 3.5Å; V11-F15 WeakPolarHBondContact O-CB 3.24Å; V11-F15 PolarHBondContact O-N 3.3Å
12F45.4Very low47Very low148 Ų14896.4 Ų96.465%0.64949%0.487SS*.Hα-helixtrans-68.9-41.5-179.3-168.2-93.2000112.8A8 I9 F15 L16A8-F12 WeakPolarHBondContact O-CB 3.46Å; A8-F12 PolarHBondContact O-N 3.05Å; I9-F12 PolarHBondContact O-N 3.04Å; F12-F15 PolarHBondContact O-N 3.33Å; F12-L16 HydrophobicContact CD1-CD1 4.17Å; F12-L16 HydrophobicContact CE1-CD1 4.01Å
13W48.3Very low48.3Very low114 Ų11490.7 Ų90.743%0.43247%0.468SS..Hα-helixtrans-64.9-41.5179.3-164.262.1000111.3I9 L16 E26 E30I9-W13 VanDerWaalsContact O-CB 3.28Å; I9-W13 WeakPolarHBondContact O-CB 3.29Å; I9-W13 PolarHBondContact O-N 3.45Å; W13-L16 PolarHBondContact O-N 2.96Å; W13-E26 HydrophobicContact CZ3-CB 4.18Å; W13-E30 HydrophobicContact CE3-CG 4.47Å; W13-E30 HydrophobicContact CZ3-CG 4.09Å
14I54.5Low49.8Very low20 Ų2090.3 Ų90.310%0.10347%0.467CS..Hα-helixtrans-79.1-25.4-179.4-63.5167.6000112.1F10 L16 Q17 V23 A27 L59F10-I14 HydrophobicContact CD1-CD1 4.46Å; F10-I14 HydrophobicContact CD2-CD1 3.92Å; F10-I14 HydrophobicContact CE1-CD1 4.25Å; F10-I14 HydrophobicContact CE2-CD1 3.68Å; F10-I14 HydrophobicContact CG-CD1 4.32Å; F10-I14 HydrophobicContact CZ-CD1 3.87Å; F10-I14 WeakPolarHBondContact O-CG1 3.25Å; F10-I14 PolarHBondContact O-N 3.48Å; I14-L16 PolarHBondContact O-N 2.96Å; I14-Q17 PolarHBondContact O-N 3.48Å; I14-V23 HydrophobicContact CG2-CG1 3.5Å; I14-A27 HydrophobicContact CD1-CB 3.74Å; I14-L59 HydrophobicContact CB-CD2 3.7Å; I14-L59 HydrophobicContact CD1-CD1 3.53Å; I14-L59 HydrophobicContact CD1-CD2 3.9Å; I14-L59 HydrophobicContact CD1-CG 4.34Å; I14-L59 HydrophobicContact CG1-CD2 4.39Å; I14-L59 HydrophobicContact CG2-CD1 4.24Å; I14-L59 HydrophobicContact CG2-CD2 3.57Å; I14-L59 HydrophobicContact CG2-CG 4.44Å
15F50.1Low51.3Low169 Ų16988 Ų8874%0.74146%0.456SS*.Hα-helixtrans-62.8-21.1170.5-132-87.2000113.4V11 F12V11-F15 WeakPolarHBondContact O-CB 3.24Å; V11-F15 PolarHBondContact O-N 3.3Å; F12-F15 PolarHBondContact O-N 3.33Å
16L46.6Very low52.8Low132 Ų13287.7 Ų87.769%0.69145%0.449SS*.THydrogen-bonded Turntrans-85.1-10.2179.3-70.3164.4000113.6F12 W13 I14F12-L16 HydrophobicContact CD1-CD1 4.17Å; F12-L16 HydrophobicContact CE1-CD1 4.01Å; W13-L16 PolarHBondContact O-N 2.96Å; I14-L16 PolarHBondContact O-N 2.96Å
17Q48.3Very low54Low80 Ų8085.2 Ų85.237%0.37444%0.44SS..  trans-123.262.2-166-156.3168.9-77.400113.3I14 Q19 V23 E26I14-Q17 PolarHBondContact O-N 3.48Å; Q17-Q19 PolarHBondContact O-N 2.92Å; Q17-V23 HydrophobicContact CB-CG2 4.43Å; Q17-V23 HydrophobicContact CG-CG2 4.4Å; Q17-V23 WeakPolarHBondContact O-CG2 3.46Å; Q17-E26 PolarHBondContact NE2-OE2 3.28Å
18V48.4Very low55.7Low132 Ų13281.2 Ų81.280%0.843%0.425SS*.  trans-8377.6-177-172.30000112.5
19Q38.5Very low57.2Low171 Ų17182.8 Ų82.880%0.79942%0.418SS*.SBendtrans-149.4149.5149.4-78.1-151.1-100111.1Q17 V23Q17-Q19 PolarHBondContact O-N 2.92Å; Q19-V23 VanDerWaalsContact O-CG2 3.24Å; Q19-V23 WeakPolarHBondContact O-CG2 3.43Å
20G53.5Low58.5Low62 Ų6279.7 Ų79.764%0.63940%0.401SS*.THydrogen-bonded Turntrans-69173.5-168.400000116.6K22G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 2.91Å
21T50.5Low59.9Low99 Ų9979.3 Ų79.361%0.60740%0.4SS*.THydrogen-bonded Turntrans67.3-57.8179.471.40000117.1V23 C24T21-V23 PolarHBondContact O-N 2.72Å; T21-C24 PolarHBondContact O-N 2.85Å
22K53Low61.3Low141 Ų14176.4 Ų76.461%0.61338%0.381SS*.Hα-helixtrans-65.6-40.5-177.3-78.8-171.3173.3-175.70112.8G20 C24 Q25 E26G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 2.91Å; K22-C24 VanDerWaalsContact C-N 3.26Å; K22-C24 PolarHBondContact O-N 3.49Å; K22-Q25 WeakPolarHBondContact O-CB 3.27Å; K22-Q25 PolarHBondContact O-N 2.72Å; K22-E26 PolarHBondContact O-N 3.24Å
23V64.4Low62.8Low29 Ų2974.9 Ų74.918%0.17637%0.371CS..Hα-helixtrans-55.2-39.7-180176.30000112.3I14 Q17 Q19 T21 Q25 A27I14-V23 HydrophobicContact CG2-CG1 3.5Å; Q17-V23 HydrophobicContact CB-CG2 4.43Å; Q17-V23 HydrophobicContact CG-CG2 4.4Å; Q17-V23 WeakPolarHBondContact O-CG2 3.46Å; Q19-V23 VanDerWaalsContact O-CG2 3.24Å; Q19-V23 WeakPolarHBondContact O-CG2 3.43Å; T21-V23 PolarHBondContact O-N 2.72Å; V23-Q25 VanDerWaalsContact C-N 3.32Å; V23-Q25 PolarHBondContact O-N 3.33Å; V23-A27 WeakPolarHBondContact O-CB 3.4Å; V23-A27 PolarHBondContact O-N 3.07Å
24C71.1Confident64Low17 Ų1770 Ų7012%0.11535%0.354CS..Hα-helixtrans-63.5-37.2178.2-79.70000113.1T21 K22 V28 C52 Q53T21-C24 PolarHBondContact O-N 2.85Å; K22-C24 VanDerWaalsContact C-N 3.26Å; K22-C24 PolarHBondContact O-N 3.49Å; C24-V28 VanDerWaalsContact O-CG2 3.27Å; C24-V28 WeakPolarHBondContact O-CG2 3.38Å; C24-V28 PolarHBondContact O-N 3.3Å; C24-V28 VanDerWaalsContact O-N 3.11Å; C24-C52 WeakPolarHBondContact CA-SG 3.17Å; C24-C52 HydrophobicContact CB-CB 3.65Å; C24-C52 WeakPolarHBondContact CB-SG 3.18Å; C24-C52 WeakPolarHBondContact SG-CB 3.29Å; C24-C52 PolarHBondContact SG-O 3.38Å; C24-C52 CovalentContact SG-SG 2.04Å; C24-C52 PolarHBondContact SG-SG 3.44Å; C24-Q53 HydrophobicContact CB-CG 4.09Å
25Q69.9Low65Low78 Ų7869.1 Ų69.136%0.36435%0.349SS..Hα-helixtrans-68.2-49.5-179.7-71.8-175.6-21.400110.6K22 V23 V28 W29 Y45 V49K22-Q25 WeakPolarHBondContact O-CB 3.27Å; K22-Q25 PolarHBondContact O-N 2.72Å; V23-Q25 VanDerWaalsContact C-N 3.32Å; V23-Q25 PolarHBondContact O-N 3.33Å; Q25-V28 PolarHBondContact O-N 3.5Å; Q25-W29 PolarHBondContact O-N 2.94Å; Q25-Y45 WeakPolarHBondContact CB-OH 3.42Å; Q25-Y45 WeakPolarHBondContact CG-OH 3.47Å; Q25-V49 HydrophobicContact CG-CG1 3.89Å; Q25-V49 HydrophobicContact CG-CG2 4.11Å
26E73.2Confident66.4Low71 Ų7161.5 Ų61.533%0.33232%0.316SS..Hα-helixtrans-66.7-39.9178-68.9165-176.700111.8W13 Q17 K22 V28 W29 E30W13-E26 HydrophobicContact CZ3-CB 4.18Å; Q17-E26 PolarHBondContact NE2-OE2 3.28Å; K22-E26 PolarHBondContact O-N 3.24Å; E26-V28 PolarHBondContact O-N 2.72Å; E26-W29 PolarHBondContact O-N 2.71Å; E26-E30 WeakPolarHBondContact O-CG 3.24Å; E26-E30 PolarHBondContact O-N 3.2Å
27A74.4Confident67.7Low1 Ų158.2 Ų58.21%0.00830%0.299CS..Hα-helixtrans-61.9-41.4176.600000113.2F10 I14 V23 A31 L59F10-A27 VanDerWaalsContact CE2-O 3.28Å; F10-A27 WeakPolarHBondContact CE2-O 3.38Å; F10-A27 HydrophobicContact CZ-CB 4.31Å; F10-A27 WeakPolarHBondContact CZ-O 3.26Å; I14-A27 HydrophobicContact CD1-CB 3.74Å; V23-A27 WeakPolarHBondContact O-CB 3.4Å; V23-A27 PolarHBondContact O-N 3.07Å; A27-A31 VanDerWaalsContact O-CB 3.22Å; A27-A31 WeakPolarHBondContact O-CB 3.47Å; A27-A31 PolarHBondContact O-N 2.84Å; A27-L59 HydrophobicContact CB-CD1 3.68Å
28V80.2Confident69.2Low0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-68.4-44.2176.8173.10000110.4C24 Q25 E26 E30 A31 Y32 Y45 W48 V49C24-V28 VanDerWaalsContact O-CG2 3.27Å; C24-V28 WeakPolarHBondContact O-CG2 3.38Å; C24-V28 PolarHBondContact O-N 3.3Å; C24-V28 VanDerWaalsContact O-N 3.11Å; Q25-V28 PolarHBondContact O-N 3.5Å; E26-V28 PolarHBondContact O-N 2.72Å; V28-E30 PolarHBondContact O-N 2.74Å; V28-A31 PolarHBondContact O-N 3.33Å; V28-Y32 HydrophobicContact CG1-CD2 3.97Å; V28-Y32 HydrophobicContact CG1-CE2 4.03Å; V28-Y32 WeakPolarHBondContact O-CD2 3.4Å; V28-Y32 PolarHBondContact O-N 3.02Å; V28-Y32 VanDerWaalsContact O-N 3.08Å; V28-Y45 HydrophobicContact CB-CD2 4.37Å; V28-Y45 HydrophobicContact CB-CE2 4.28Å; V28-Y45 HydrophobicContact CG1-CD2 3.78Å; V28-Y45 HydrophobicContact CG1-CE2 4.18Å; V28-W48 HydrophobicContact CB-CB 4.49Å; V28-W48 HydrophobicContact CG1-CB 3.72Å; V28-W48 HydrophobicContact CG1-CG 4.42Å; V28-W48 HydrophobicContact CG2-CB 3.86Å; V28-V49 HydrophobicContact CB-CG2 4.23Å; V28-V49 HydrophobicContact CG2-CG2 4.12Å
29W77.8Confident70.7Confident95 Ų9557.1 Ų57.136%0.3629%0.285SS..Hα-helixtrans-59.8-45.5176.9-92.599.9000113.4Q25 E26 R33 I39 P40 Y45Q25-W29 PolarHBondContact O-N 2.94Å; E26-W29 PolarHBondContact O-N 2.71Å; W29-R33 PolarHBondContact O-N 3.01Å; W29-I39 HydrophobicContact CH2-CG2 3.59Å; W29-I39 HydrophobicContact CZ3-CB 4.21Å; W29-I39 HydrophobicContact CZ3-CD1 4.11Å; W29-I39 HydrophobicContact CZ3-CG1 3.88Å; W29-I39 HydrophobicContact CZ3-CG2 3.63Å; W29-P40 HydrophobicContact CD2-CG 4.44Å; W29-Y45 AromaticContact CD1-CD2 3.96Å; W29-Y45 AromaticContact CD1-CE2 3.18Å; W29-Y45 AromaticContact CD1-CZ 3.55Å; W29-Y45 HydrophobicContact CG-CE2 4.2Å; W29-Y45 AromaticContact NE1-CD2 3.77Å; W29-Y45 AromaticContact NE1-CE1 3.96Å; W29-Y45 AromaticContact NE1-CE2 3.22Å; W29-Y45 AromaticContact NE1-CZ 3.31Å; W29-Y45 VanDerWaalsContact NE1-CZ 3.31Å
30E75.9Confident72.7Confident40 Ų4049.4 Ų49.419%0.18725%0.249CC..Hα-helixtrans-70-34.2176.5-68.5-60.2153.300111.8F10 W13 E26 V28 R33 I34F10-E30 HydrophobicContact CD2-CB 3.7Å; F10-E30 HydrophobicContact CE2-CB 3.7Å; W13-E30 HydrophobicContact CE3-CG 4.47Å; W13-E30 HydrophobicContact CZ3-CG 4.09Å; E26-E30 WeakPolarHBondContact O-CG 3.24Å; E26-E30 PolarHBondContact O-N 3.2Å; V28-E30 PolarHBondContact O-N 2.74Å; E30-R33 VanDerWaalsContact CD-CZ 3.45Å; E30-R33 VanDerWaalsContact CD-NH2 3.31Å; E30-R33 PolarHBondContact O-N 3.05Å; E30-R33 IonicContact OE1-CZ 3.16Å; E30-R33 IonicContact OE1-NH1 3.02Å; E30-R33 PolarHBondContact OE1-NH1 3.09Å; E30-R33 IonicContact OE1-NH2 2.85Å; E30-R33 PolarHBondContact OE1-NH2 3.05Å; E30-R33 IonicContact OE2-CZ 2.6Å; E30-R33 VanDerWaalsContact OE2-CZ 3.27Å; E30-R33 IonicContact OE2-NE 2.67Å; E30-R33 IonicContact OE2-NH1 2.65Å; E30-R33 PolarHBondContact OE2-NH1 3.44Å; E30-R33 IonicContact OE2-NH2 3.63Å; E30-I34 HydrophobicContact CB-CD1 4.38Å; E30-I34 WeakPolarHBondContact O-CB 3.43Å; E30-I34 WeakPolarHBondContact O-CG1 3.44Å; E30-I34 PolarHBondContact O-N 3.46Å
31A78.9Confident73.9Confident0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-61.8-48.4175.700000112.2F10 A27 V28 R33 I34 F35 F66F10-A31 HydrophobicContact CE2-CB 4.32Å; F10-A31 HydrophobicContact CZ-CB 4.18Å; A27-A31 VanDerWaalsContact O-CB 3.22Å; A27-A31 WeakPolarHBondContact O-CB 3.47Å; A27-A31 PolarHBondContact O-N 2.84Å; V28-A31 PolarHBondContact O-N 3.33Å; A31-R33 VanDerWaalsContact C-N 3.32Å; A31-R33 PolarHBondContact O-N 3.5Å; A31-I34 PolarHBondContact O-N 3.33Å; A31-F35 HydrophobicContact CB-CD2 4.27Å; A31-F35 VanDerWaalsContact O-CD2 3.29Å; A31-F35 WeakPolarHBondContact O-CD2 3.4Å; A31-F35 PolarHBondContact O-N 3.18Å; A31-F66 HydrophobicContact CB-CD1 4.29Å; A31-F66 HydrophobicContact CB-CD2 4.21Å; A31-F66 HydrophobicContact CB-CE1 4.37Å; A31-F66 HydrophobicContact CB-CE2 4.29Å; A31-F66 HydrophobicContact CB-CG 4.22Å; A31-F66 HydrophobicContact CB-CZ 4.37Å
32Y83.7Confident75.2Confident5 Ų552.7 Ų52.72%0.0225%0.253CS..Iπ-helixtrans-57-44.8174.4-90.7-89.3000111.8V28 I34 L36 D37 R38 P40 E44 W48 F66V28-Y32 HydrophobicContact CG1-CD2 3.97Å; V28-Y32 HydrophobicContact CG1-CE2 4.03Å; V28-Y32 WeakPolarHBondContact O-CD2 3.4Å; V28-Y32 PolarHBondContact O-N 3.02Å; V28-Y32 VanDerWaalsContact O-N 3.08Å; Y32-I34 PolarHBondContact O-N 2.91Å; Y32-L36 HydrophobicContact CD1-CD1 3.72Å; Y32-L36 HydrophobicContact CE1-CD1 3.76Å; Y32-L36 CarbonylContact O-C 3.45Å; Y32-L36 WeakPolarHBondContact O-CA 3.32Å; Y32-L36 WeakPolarHBondContact O-CB 3.47Å; Y32-L36 PolarHBondContact O-N 3.24Å; Y32-D37 PolarHBondContact O-N 3.13Å; Y32-D37 VanDerWaalsContact O-N 3.14Å; Y32-R38 CarbonylContact C-O 3.55Å; Y32-R38 HydrophobicContact CD1-CG 4.34Å; Y32-P40 HydrophobicContact CD1-CB 3.86Å; Y32-P40 HydrophobicContact CD2-CB 3.64Å; Y32-P40 HydrophobicContact CD2-CG 3.96Å; Y32-P40 HydrophobicContact CE1-CB 3.86Å; Y32-P40 HydrophobicContact CE2-CB 3.62Å; Y32-P40 HydrophobicContact CE2-CG 4.38Å; Y32-P40 HydrophobicContact CG-CB 3.77Å; Y32-P40 HydrophobicContact CG-CG 4.05Å; Y32-E44 WeakPolarHBondContact OH-CB 3.35Å; Y32-E44 PolarHBondContact OH-OE1 3.22Å; Y32-W48 AromaticContact CE2-CD1 3.83Å; Y32-W48 PolarHBondContact OH-NE1 3.29Å; Y32-F66 HydrophobicContact CD1-CE1 4.19Å; Y32-F66 AromaticContact CD2-CE1 3.51Å; Y32-F66 HydrophobicContact CD2-CE1 3.51Å; Y32-F66 AromaticContact CD2-CZ 3.63Å; Y32-F66 HydrophobicContact CD2-CZ 3.63Å; Y32-F66 HydrophobicContact CE1-CE1 4.15Å; Y32-F66 AromaticContact CE2-CE1 3.49Å; Y32-F66 HydrophobicContact CE2-CE1 3.49Å; Y32-F66 VanDerWaalsContact CE2-CE1 3.49Å; Y32-F66 AromaticContact CE2-CZ 3.32Å; Y32-F66 HydrophobicContact CE2-CZ 3.32Å; Y32-F66 AromaticContact CG-CE1 3.87Å; Y32-F66 HydrophobicContact CG-CE1 3.87Å; Y32-F66 HydrophobicContact CG-CZ 4.44Å; Y32-F66 AromaticContact CZ-CE1 3.8Å; Y32-F66 AromaticContact CZ-CZ 3.91Å
33R77.9Confident76.6Confident116 Ų11648.1 Ų48.144%0.43825%0.245SC..Iπ-helixtrans-67.7-33.4178.6-156.3-169.5-51.1141.714.9113.3R6 W29 E30 A31 D37 R38R6-R33 PolarHBondContact NH1-O 3.17Å; W29-R33 PolarHBondContact O-N 3.01Å; E30-R33 VanDerWaalsContact CD-CZ 3.45Å; E30-R33 VanDerWaalsContact CD-NH2 3.31Å; E30-R33 PolarHBondContact O-N 3.05Å; E30-R33 IonicContact OE1-CZ 3.16Å; E30-R33 IonicContact OE1-NH1 3.02Å; E30-R33 PolarHBondContact OE1-NH1 3.09Å; E30-R33 IonicContact OE1-NH2 2.85Å; E30-R33 PolarHBondContact OE1-NH2 3.05Å; E30-R33 IonicContact OE2-CZ 2.6Å; E30-R33 VanDerWaalsContact OE2-CZ 3.27Å; E30-R33 IonicContact OE2-NE 2.67Å; E30-R33 IonicContact OE2-NH1 2.65Å; E30-R33 PolarHBondContact OE2-NH1 3.44Å; E30-R33 IonicContact OE2-NH2 3.63Å; A31-R33 VanDerWaalsContact C-N 3.32Å; A31-R33 PolarHBondContact O-N 3.5Å; R33-D37 WeakPolarHBondContact O-CA 3.32Å; R33-R38 PolarHBondContact N-O 3.44Å
34I72.2Confident77.5Confident12 Ų1249.5 Ų49.56%0.06225%0.25CS..Iπ-helixtrans-83.8-43.2-174.7-75.1173.1000112.5L3 R6 F10 E30 A31 Y32L3-I34 WeakPolarHBondContact CD1-O 3.35Å; R6-I34 HydrophobicContact CB-CB 4.43Å; R6-I34 HydrophobicContact CB-CD1 4.3Å; R6-I34 HydrophobicContact CB-CG1 4.11Å; R6-I34 HydrophobicContact CB-CG2 3.66Å; R6-I34 HydrophobicContact CG-CG1 4.44Å; R6-I34 PolarHBondContact NH1-O 3.15Å; F10-I34 HydrophobicContact CB-CD1 3.72Å; F10-I34 HydrophobicContact CD2-CD1 3.85Å; F10-I34 HydrophobicContact CG-CD1 4.12Å; E30-I34 HydrophobicContact CB-CD1 4.38Å; E30-I34 WeakPolarHBondContact O-CB 3.43Å; E30-I34 WeakPolarHBondContact O-CG1 3.44Å; E30-I34 PolarHBondContact O-N 3.46Å; A31-I34 PolarHBondContact O-N 3.33Å; Y32-I34 PolarHBondContact O-N 2.91Å
35F77.1Confident78Confident2 Ų250.1 Ų50.11%0.00925%0.25CS..Iπ-helixtrans-91.8-40.9-176.7-66.2-76.6000112.6L3 R7 A31 G63 F66 H72L3-F35 HydrophobicContact CD2-CD1 3.87Å; L3-F35 HydrophobicContact CD2-CE1 4Å; R7-F35 HydrophobicContact CG-CE1 3.97Å; R7-F35 HydrophobicContact CG-CZ 3.68Å; A31-F35 HydrophobicContact CB-CD2 4.27Å; A31-F35 VanDerWaalsContact O-CD2 3.29Å; A31-F35 WeakPolarHBondContact O-CD2 3.4Å; A31-F35 PolarHBondContact O-N 3.18Å; F35-G63 WeakPolarHBondContact CZ-O 3.21Å; F35-F66 HydrophobicContact CB-CB 3.95Å; F35-F66 HydrophobicContact CB-CD1 4.36Å; F35-F66 HydrophobicContact CD1-CB 4.36Å; F35-F66 HydrophobicContact CD2-CB 3.48Å; F35-F66 VanDerWaalsContact CD2-CB 3.48Å; F35-F66 HydrophobicContact CD2-CD1 4.48Å; F35-F66 HydrophobicContact CD2-CG 4.18Å; F35-F66 HydrophobicContact CE2-CB 4.08Å; F35-F66 HydrophobicContact CG-CB 3.67Å; F35-H72 PolarHBondContact O-ND1 2.04Å
36L78.7Confident78.4Confident8 Ų851.3 Ų51.34%0.04226%0.256CS..Iπ-helixtrans-106.1-5.4-171.9-53.3177.6000113Y32 R38 F66 E71 H72 L75Y32-L36 HydrophobicContact CD1-CD1 3.72Å; Y32-L36 HydrophobicContact CE1-CD1 3.76Å; Y32-L36 CarbonylContact O-C 3.45Å; Y32-L36 WeakPolarHBondContact O-CA 3.32Å; Y32-L36 WeakPolarHBondContact O-CB 3.47Å; Y32-L36 PolarHBondContact O-N 3.24Å; L36-R38 HydrophobicContact CB-CG 3.89Å; L36-R38 PolarHBondContact O-N 3.27Å; L36-F66 HydrophobicContact CD1-CD1 4.04Å; L36-F66 HydrophobicContact CD1-CE1 4.02Å; L36-F66 HydrophobicContact CG-CD1 4.3Å; L36-E71 HydrophobicContact CD2-CB 3.9Å; L36-E71 HydrophobicContact CD2-CG 3.97Å; L36-H72 HydrophobicContact CD2-CB 3.88Å; L36-L75 HydrophobicContact CB-CD1 4.21Å; L36-L75 HydrophobicContact CD2-CD1 4.21Å; L36-L75 VanDerWaalsContact O-CD1 3.24Å; L36-L75 WeakPolarHBondContact O-CD1 3.45Å
37D74.8Confident78.8Confident64 Ų6452.8 Ų52.834%0.34227%0.266SS..SBendtrans49.421.9-174.9-80.5-57.2000113.3R6 Y32 R33 R79R6-D37 IonicContact CZ-OD1 2.65Å; R6-D37 IonicContact NH1-OD1 3.62Å; R6-D37 PolarHBondContact NH1-OD1 3.05Å; R6-D37 IonicContact NH1-OD2 3.11Å; R6-D37 IonicContact NH2-OD1 2.58Å; R6-D37 PolarHBondContact NH2-OD1 3.49Å; Y32-D37 PolarHBondContact O-N 3.13Å; Y32-D37 VanDerWaalsContact O-N 3.14Å; R33-D37 WeakPolarHBondContact O-CA 3.32Å; D37-R79 IonicContact OD2-CZ 3.61Å; D37-R79 IonicContact OD2-NH1 2.72Å; D37-R79 PolarHBondContact OD2-NH1 3.02Å; D37-R79 VanDerWaalsContact OD2-NH1 3.09Å; D37-R79 IonicContact OD2-NH2 3.61Å; D37-R79 PolarHBondContact OD2-NH2 2.93Å
38R78.9Confident79.2Confident74 Ų7455.1 Ų55.128%0.27928%0.275SS..SBendtrans-125.3-178.6178.975.9161.1170.2108.9-8.5112.7Y32 R33 L36 E44 E71Y32-R38 CarbonylContact C-O 3.55Å; Y32-R38 HydrophobicContact CD1-CG 4.34Å; R33-R38 PolarHBondContact N-O 3.44Å; L36-R38 HydrophobicContact CB-CG 3.89Å; L36-R38 PolarHBondContact O-N 3.27Å; R38-E44 IonicContact CZ-OE1 2.69Å; R38-E44 IonicContact CZ-OE2 3.97Å; R38-E44 IonicContact NH1-OE1 3.83Å; R38-E44 PolarHBondContact NH1-OE1 2.82Å; R38-E44 IonicContact NH1-OE2 3.06Å; R38-E44 PolarHBondContact NH1-OE2 3.49Å; R38-E44 IonicContact NH2-OE1 2.72Å; R38-E44 PolarHBondContact NH2-OE1 3.39Å; R38-E44 IonicContact NH2-OE2 3.7Å; R38-E71 WeakPolarHBondContact CD-OE1 3.5Å; R38-E71 IonicContact CZ-OE1 3.8Å; R38-E71 IonicContact CZ-OE2 3.67Å; R38-E71 IonicContact NE-OE1 3.35Å; R38-E71 PolarHBondContact NE-OE1 3.34Å; R38-E71 IonicContact NE-OE2 2.67Å; R38-E71 PolarHBondContact NE-OE2 3.08Å; R38-E71 IonicContact NH2-OE1 3.39Å; R38-E71 IonicContact NH2-OE2 3.71Å; R38-E71 PolarHBondContact NH2-OE2 3.28Å
39I79.1Confident79.3Confident114 Ų11455.2 Ų55.259%0.58528%0.275SS*.PPolyproline II helixtrans-103.7142.2174.1-71.2-177.7000108.5W29W29-I39 HydrophobicContact CH2-CG2 3.59Å; W29-I39 HydrophobicContact CZ3-CB 4.21Å; W29-I39 HydrophobicContact CZ3-CD1 4.11Å; W29-I39 HydrophobicContact CZ3-CG1 3.88Å; W29-I39 HydrophobicContact CZ3-CG2 3.63Å
40P81Confident79.2Confident9 Ų952.7 Ų52.76%0.05827%0.272CS..PPolyproline II helixtrans-73.6146.5173.628.9-33.6000112.2W29 Y32 Y45W29-P40 HydrophobicContact CD2-CG 4.44Å; Y32-P40 HydrophobicContact CD1-CB 3.86Å; Y32-P40 HydrophobicContact CD2-CB 3.64Å; Y32-P40 HydrophobicContact CD2-CG 3.96Å; Y32-P40 HydrophobicContact CE1-CB 3.86Å; Y32-P40 HydrophobicContact CE2-CB 3.62Å; Y32-P40 HydrophobicContact CE2-CG 4.38Å; Y32-P40 HydrophobicContact CG-CB 3.77Å; Y32-P40 HydrophobicContact CG-CG 4.05Å; P40-Y45 HydrophobicContact CG-CD2 4.14Å; P40-Y45 HydrophobicContact CG-CG 4.43Å
41D79.9Confident79.2Confident116 Ų11653.5 Ų53.562%0.6228%0.277SS*.PPolyproline II helixtrans-72154.4166.8-83-44.5000111.2G43 E44 Y45D41-G43 PolarHBondContact O-N 2.77Å; D41-E44 HydrophobicContact CB-CG 4.32Å; D41-E44 PolarHBondContact N-OE2 3.24Å; D41-E44 PolarHBondContact O-N 3.46Å; D41-E44 VanDerWaalsContact O-N 3.15Å; D41-Y45 WeakPolarHBondContact O-CB 3.29Å; D41-Y45 PolarHBondContact O-N 3.31Å
42T78.1Confident79Confident115 Ų11554.3 Ų54.371%0.70628%0.283SS*.Hα-helixtrans-57.3-28.5-173.9-42.30000113.8Q46T42-Q46 VanDerWaalsContact O-CG 3.26Å; T42-Q46 WeakPolarHBondContact O-CG 3.49Å; T42-Q46 PolarHBondContact O-N 3.06Å
43G81.2Confident78.4Confident44 Ų4458.4 Ų58.445%0.45430%0.302SS..Hα-helixtrans-72.4-59.417300000112D41 Y45 Q46 D47D41-G43 PolarHBondContact O-N 2.77Å; G43-Y45 PolarHBondContact O-N 3.14Å; G43-Q46 PolarHBondContact O-N 2.97Å; G43-D47 PolarHBondContact O-N 2.93Å
44E83Confident78Confident58 Ų5859.1 Ų59.127%0.27131%0.31SS..Hα-helixtrans-50.1-44.4178-59.8179.811300111.9Y32 R38 D41 D47 W48Y32-E44 WeakPolarHBondContact OH-CB 3.35Å; Y32-E44 PolarHBondContact OH-OE1 3.22Å; R38-E44 IonicContact CZ-OE1 2.69Å; R38-E44 IonicContact CZ-OE2 3.97Å; R38-E44 IonicContact NH1-OE1 3.83Å; R38-E44 PolarHBondContact NH1-OE1 2.82Å; R38-E44 IonicContact NH1-OE2 3.06Å; R38-E44 PolarHBondContact NH1-OE2 3.49Å; R38-E44 IonicContact NH2-OE1 2.72Å; R38-E44 PolarHBondContact NH2-OE1 3.39Å; R38-E44 IonicContact NH2-OE2 3.7Å; D41-E44 HydrophobicContact CB-CG 4.32Å; D41-E44 PolarHBondContact N-OE2 3.24Å; D41-E44 PolarHBondContact O-N 3.46Å; D41-E44 VanDerWaalsContact O-N 3.15Å; E44-D47 PolarHBondContact O-N 3.46Å; E44-W48 WeakPolarHBondContact O-CB 3.42Å; E44-W48 VanDerWaalsContact O-CD1 3.22Å; E44-W48 PolarHBondContact O-N 3.06Å
45Y81.9Confident77.3Confident31 Ų3167.2 Ų67.212%0.12235%0.348CS..Hα-helixtrans-60.7-45.9179.8177.3-116.2000112.5Q25 V28 W29 P40 D41 G43 V49Q25-Y45 WeakPolarHBondContact CB-OH 3.42Å; Q25-Y45 WeakPolarHBondContact CG-OH 3.47Å; V28-Y45 HydrophobicContact CB-CD2 4.37Å; V28-Y45 HydrophobicContact CB-CE2 4.28Å; V28-Y45 HydrophobicContact CG1-CD2 3.78Å; V28-Y45 HydrophobicContact CG1-CE2 4.18Å; W29-Y45 AromaticContact CD1-CD2 3.96Å; W29-Y45 AromaticContact CD1-CE2 3.18Å; W29-Y45 AromaticContact CD1-CZ 3.55Å; W29-Y45 HydrophobicContact CG-CE2 4.2Å; W29-Y45 AromaticContact NE1-CD2 3.77Å; W29-Y45 AromaticContact NE1-CE1 3.96Å; W29-Y45 AromaticContact NE1-CE2 3.22Å; W29-Y45 AromaticContact NE1-CZ 3.31Å; W29-Y45 VanDerWaalsContact NE1-CZ 3.31Å; P40-Y45 HydrophobicContact CG-CD2 4.14Å; P40-Y45 HydrophobicContact CG-CG 4.43Å; D41-Y45 WeakPolarHBondContact O-CB 3.29Å; D41-Y45 PolarHBondContact O-N 3.31Å; G43-Y45 PolarHBondContact O-N 3.14Å; Y45-V49 HydrophobicContact CD2-CG2 3.92Å; Y45-V49 HydrophobicContact CE1-CG2 4.31Å; Y45-V49 HydrophobicContact CE2-CG2 3.46Å; Y45-V49 VanDerWaalsContact CE2-CG2 3.46Å; Y45-V49 HydrophobicContact CG-CG2 4.49Å; Y45-V49 VanDerWaalsContact O-CB 3.29Å; Y45-V49 WeakPolarHBondContact O-CB 3.29Å; Y45-V49 VanDerWaalsContact O-CG2 3.23Å; Y45-V49 WeakPolarHBondContact O-CG2 3.28Å; Y45-V49 PolarHBondContact O-N 3.11Å
46Q79.3Confident76.2Confident102 Ų10271.3 Ų71.348%0.47737%0.373SS..Hα-helixtrans-70.9-37.2-179.6-68.4-65.9-18.300111.8T42 G43 V49 S50T42-Q46 VanDerWaalsContact O-CG 3.26Å; T42-Q46 WeakPolarHBondContact O-CG 3.49Å; T42-Q46 PolarHBondContact O-N 3.06Å; G43-Q46 PolarHBondContact O-N 2.97Å; Q46-V49 PolarHBondContact O-N 3.19Å; Q46-S50 VanDerWaalsContact O-CB 3.25Å; Q46-S50 WeakPolarHBondContact O-CB 3.25Å; Q46-S50 PolarHBondContact O-N 2.7Å; Q46-S50 PolarHBondContact O-OG 2.97Å
47D81.9Confident75.2Confident103 Ų10375.2 Ų75.255%0.55139%0.39SS*.Hα-helixtrans-60.1-53.8174-71.5-20.7000110.3G43 E44 V49 S50 I51G43-D47 PolarHBondContact O-N 2.93Å; E44-D47 PolarHBondContact O-N 3.46Å; D47-V49 PolarHBondContact O-N 3Å; D47-S50 PolarHBondContact O-N 3.24Å; D47-S50 PolarHBondContact O-OG 2.58Å; D47-I51 WeakPolarHBondContact O-CB 3.44Å; D47-I51 WeakPolarHBondContact O-CD1 3.23Å; D47-I51 VanDerWaalsContact O-CG1 3.26Å; D47-I51 WeakPolarHBondContact O-CG1 3.27Å; D47-I51 PolarHBondContact O-N 3.49Å
48W81.3Confident74.6Confident50 Ų5075.6 Ų75.619%0.18940%0.397CS..Hα-helixtrans-61.6-39.8178.1-83.4111.8000113.9V28 Y32 E44 I51 C52 I62 N65 F66V28-W48 HydrophobicContact CB-CB 4.49Å; V28-W48 HydrophobicContact CG1-CB 3.72Å; V28-W48 HydrophobicContact CG1-CG 4.42Å; V28-W48 HydrophobicContact CG2-CB 3.86Å; Y32-W48 AromaticContact CE2-CD1 3.83Å; Y32-W48 PolarHBondContact OH-NE1 3.29Å; E44-W48 WeakPolarHBondContact O-CB 3.42Å; E44-W48 VanDerWaalsContact O-CD1 3.22Å; E44-W48 PolarHBondContact O-N 3.06Å; W48-I51 PolarHBondContact O-N 3.48Å; W48-C52 WeakPolarHBondContact O-CB 3.26Å; W48-C52 PolarHBondContact O-N 3.42Å; W48-I62 HydrophobicContact CZ3-CG2 4.46Å; W48-N65 HydrophobicContact CH2-CB 4Å; W48-F66 AromaticContact CD2-CE2 3.81Å; W48-F66 HydrophobicContact CD2-CE2 3.81Å; W48-F66 HydrophobicContact CD2-CZ 4.07Å; W48-F66 AromaticContact CE2-CE2 3.61Å; W48-F66 AromaticContact CE2-CZ 3.73Å; W48-F66 AromaticContact CE3-CE2 3.97Å; W48-F66 HydrophobicContact CE3-CE2 3.97Å; W48-F66 HydrophobicContact CG-CE2 4.5Å; W48-F66 HydrophobicContact CG-CZ 4.36Å; W48-F66 HydrophobicContact CH2-CD2 4.21Å; W48-F66 AromaticContact CH2-CE2 3.79Å; W48-F66 HydrophobicContact CH2-CE2 3.79Å; W48-F66 HydrophobicContact CZ2-CD2 4.27Å; W48-F66 AromaticContact CZ2-CE2 3.62Å; W48-F66 HydrophobicContact CZ2-CE2 3.62Å; W48-F66 HydrophobicContact CZ2-CZ 4.05Å; W48-F66 AromaticContact CZ3-CE2 3.96Å; W48-F66 HydrophobicContact CZ3-CE2 3.96Å; W48-F66 AromaticContact NE1-CZ 3.8Å
49V82.1Confident73.9Confident1 Ų174.2 Ų74.21%0.00640%0.395CS..Hα-helixtrans-67.1-40.8175.7167.40000111Q25 V28 Y45 Q46 D47 I51 C52 Q53Q25-V49 HydrophobicContact CG-CG1 3.89Å; Q25-V49 HydrophobicContact CG-CG2 4.11Å; V28-V49 HydrophobicContact CB-CG2 4.23Å; V28-V49 HydrophobicContact CG2-CG2 4.12Å; Y45-V49 HydrophobicContact CD2-CG2 3.92Å; Y45-V49 HydrophobicContact CE1-CG2 4.31Å; Y45-V49 HydrophobicContact CE2-CG2 3.46Å; Y45-V49 VanDerWaalsContact CE2-CG2 3.46Å; Y45-V49 HydrophobicContact CG-CG2 4.49Å; Y45-V49 VanDerWaalsContact O-CB 3.29Å; Y45-V49 WeakPolarHBondContact O-CB 3.29Å; Y45-V49 VanDerWaalsContact O-CG2 3.23Å; Y45-V49 WeakPolarHBondContact O-CG2 3.28Å; Y45-V49 PolarHBondContact O-N 3.11Å; Q46-V49 PolarHBondContact O-N 3.19Å; D47-V49 PolarHBondContact O-N 3Å; V49-I51 VanDerWaalsContact C-N 3.34Å; V49-I51 PolarHBondContact O-N 3.22Å; V49-C52 PolarHBondContact O-N 2.81Å; V49-Q53 HydrophobicContact CG1-CG 4.19Å; V49-Q53 WeakPolarHBondContact O-CB 3.22Å; V49-Q53 VanDerWaalsContact O-CG 3.26Å; V49-Q53 WeakPolarHBondContact O-CG 3.47Å; V49-Q53 PolarHBondContact O-N 2.84Å
50S77.3Confident73.3Confident43 Ų4375.6 Ų75.630%0.30140%0.397SS..Hα-helixtrans-64.7-39.1177.479.80000112.1Q46 D47 Q53 Q54Q46-S50 VanDerWaalsContact O-CB 3.25Å; Q46-S50 WeakPolarHBondContact O-CB 3.25Å; Q46-S50 PolarHBondContact O-N 2.7Å; Q46-S50 PolarHBondContact O-OG 2.97Å; D47-S50 PolarHBondContact O-N 3.24Å; D47-S50 PolarHBondContact O-OG 2.58Å; S50-Q53 PolarHBondContact O-N 3.48Å; S50-Q54 WeakPolarHBondContact O-CB 3.48Å; S50-Q54 VanDerWaalsContact O-CG 3.23Å; S50-Q54 WeakPolarHBondContact O-CG 3.28Å; S50-Q54 PolarHBondContact O-N 2.83Å; S50-Q54 VanDerWaalsContact O-N 3.07Å; S50-Q54 PolarHBondContact O-NE2 2.91Å; S50-Q54 VanDerWaalsContact O-NE2 3.13Å
51I74.3Confident72.8Confident57 Ų5777.7 Ų77.729%0.29241%0.407SS..Hα-helixtrans-64.1-44.4175.9-72.5165.8000110.5D47 W48 V49 Q54 T56 F57D47-I51 WeakPolarHBondContact O-CB 3.44Å; D47-I51 WeakPolarHBondContact O-CD1 3.23Å; D47-I51 VanDerWaalsContact O-CG1 3.26Å; D47-I51 WeakPolarHBondContact O-CG1 3.27Å; D47-I51 PolarHBondContact O-N 3.49Å; W48-I51 PolarHBondContact O-N 3.48Å; V49-I51 VanDerWaalsContact C-N 3.34Å; V49-I51 PolarHBondContact O-N 3.22Å; I51-Q54 PolarHBondContact O-N 3.25Å; I51-T56 PolarHBondContact O-OG1 3.08Å; I51-T56 VanDerWaalsContact O-OG1 3.07Å; I51-F57 HydrophobicContact CG2-CD2 3.41Å; I51-F57 VanDerWaalsContact CG2-CD2 3.41Å; I51-F57 HydrophobicContact CG2-CE2 3.74Å
52C75.4Confident72.5Confident17 Ų1772.2 Ų72.212%0.11538%0.378CS..Hα-helixtrans-65.7-41.4175.2-176.50000112.5C24 W48 V49 Q54 E55 I62C24-C52 WeakPolarHBondContact CA-SG 3.17Å; C24-C52 HydrophobicContact CB-CB 3.65Å; C24-C52 WeakPolarHBondContact CB-SG 3.18Å; C24-C52 WeakPolarHBondContact SG-CB 3.29Å; C24-C52 PolarHBondContact SG-O 3.38Å; C24-C52 CovalentContact SG-SG 2.04Å; C24-C52 PolarHBondContact SG-SG 3.44Å; W48-C52 WeakPolarHBondContact O-CB 3.26Å; W48-C52 PolarHBondContact O-N 3.42Å; V49-C52 PolarHBondContact O-N 2.81Å; C52-Q54 VanDerWaalsContact C-N 3.27Å; C52-Q54 PolarHBondContact O-N 3.24Å; C52-E55 PolarHBondContact O-N 2.98Å; C52-I62 HydrophobicContact CB-CD1 3.93Å
53Q71.1Confident72.3Confident91 Ų9167 Ų6743%0.42535%0.348SS..Hα-helixtrans-71.9-17.1-179.6-74178.4-7.300114C24 V49 S50 E55C24-Q53 HydrophobicContact CB-CG 4.09Å; V49-Q53 HydrophobicContact CG1-CG 4.19Å; V49-Q53 WeakPolarHBondContact O-CB 3.22Å; V49-Q53 VanDerWaalsContact O-CG 3.26Å; V49-Q53 WeakPolarHBondContact O-CG 3.47Å; V49-Q53 PolarHBondContact O-N 2.84Å; S50-Q53 PolarHBondContact O-N 3.48Å; Q53-E55 VanDerWaalsContact C-N 3.27Å
54Q69.8Low71.9Confident130 Ų13069.8 Ų69.861%0.60735%0.347SS*.THydrogen-bonded Turntrans-86.610173.9-73.2168.553.200113.3S50 I51 C52 T56S50-Q54 WeakPolarHBondContact O-CB 3.48Å; S50-Q54 VanDerWaalsContact O-CG 3.23Å; S50-Q54 WeakPolarHBondContact O-CG 3.28Å; S50-Q54 PolarHBondContact O-N 2.83Å; S50-Q54 VanDerWaalsContact O-N 3.07Å; S50-Q54 PolarHBondContact O-NE2 2.91Å; S50-Q54 VanDerWaalsContact O-NE2 3.13Å; I51-Q54 PolarHBondContact O-N 3.25Å; C52-Q54 VanDerWaalsContact C-N 3.27Å; C52-Q54 PolarHBondContact O-N 3.24Å; Q54-T56 PolarHBondContact O-N 3.37Å
55E57.9Low71.6Confident183 Ų18370.8 Ų70.886%0.85536%0.355SS*.THydrogen-bonded Turntrans55.911.9-179.9-58.4-168.115100115.5C52 Q53 F57C52-E55 PolarHBondContact O-N 2.98Å; Q53-E55 VanDerWaalsContact C-N 3.27Å; E55-F57 PolarHBondContact O-N 2.91Å
56T52.7Low71.4Confident88 Ų8869.6 Ų69.654%0.5435%0.35SS..SBendtrans-72.7-13.8-176.840.40000114.3I51 Q54I51-T56 PolarHBondContact O-OG1 3.08Å; I51-T56 VanDerWaalsContact O-OG1 3.07Å; Q54-T56 PolarHBondContact O-N 3.37Å
57F57.5Low71.3Confident89 Ų8965.5 Ų65.539%0.3933%0.332SS..SBendtrans-141.6138.4176.3-69.3-76000110.7I51 E55 D61 I62I51-F57 HydrophobicContact CG2-CD2 3.41Å; I51-F57 VanDerWaalsContact CG2-CD2 3.41Å; I51-F57 HydrophobicContact CG2-CE2 3.74Å; E55-F57 PolarHBondContact O-N 2.91Å; F57-D61 HydrophobicContact CB-CB 4.08Å; F57-D61 HydrophobicContact CD1-CB 3.66Å; F57-D61 HydrophobicContact CG-CB 4.31Å; F57-I62 HydrophobicContact CB-CG1 4.32Å
58C63.3Low71Confident73 Ų7365.6 Ų65.649%0.49333%0.333SS..  trans-81.1165.2168.179.70000110.5F60 D61 I62C58-F60 PolarHBondContact O-N 3.07Å; C58-F60 VanDerWaalsContact O-N 3.08Å; C58-D61 PolarHBondContact N-OD2 3.17Å; C58-D61 WeakPolarHBondContact O-CB 3.37Å; C58-D61 PolarHBondContact O-N 3.46Å; C58-D61 PolarHBondContact SG-OD2 3.48Å; C58-I62 PolarHBondContact O-N 3.08Å
59L64.9Low70.9Confident44 Ų4464.8 Ų64.823%0.2334%0.335CS..Hα-helixtrans-50-38.9179.4-177.672.3000113.4F10 I14 A27 D61 I62 G63F10-L59 HydrophobicContact CE1-CD1 3.6Å; F10-L59 HydrophobicContact CE1-CD2 4.25Å; F10-L59 HydrophobicContact CE1-CG 3.87Å; F10-L59 HydrophobicContact CZ-CD1 3.64Å; F10-L59 HydrophobicContact CZ-CG 4.42Å; I14-L59 HydrophobicContact CB-CD2 3.7Å; I14-L59 HydrophobicContact CD1-CD1 3.53Å; I14-L59 HydrophobicContact CD1-CD2 3.9Å; I14-L59 HydrophobicContact CD1-CG 4.34Å; I14-L59 HydrophobicContact CG1-CD2 4.39Å; I14-L59 HydrophobicContact CG2-CD1 4.24Å; I14-L59 HydrophobicContact CG2-CD2 3.57Å; I14-L59 HydrophobicContact CG2-CG 4.44Å; A27-L59 HydrophobicContact CB-CD1 3.68Å; L59-D61 VanDerWaalsContact C-N 3.32Å; L59-D61 PolarHBondContact O-N 2.96Å; L59-I62 PolarHBondContact O-N 3.25Å; L59-G63 PolarHBondContact O-N 2.71Å
60F64.7Low70.8Confident143 Ų14370.2 Ų70.263%0.62736%0.36SS*.Hα-helixtrans-65-36180179.2-95.6000112C58 G63 K64C58-F60 PolarHBondContact O-N 3.07Å; C58-F60 VanDerWaalsContact O-N 3.08Å; F60-G63 PolarHBondContact O-N 2.74Å; F60-K64 HydrophobicContact CE1-CD 4.28Å; F60-K64 WeakPolarHBondContact O-CB 3.2Å; F60-K64 PolarHBondContact O-N 2.82Å
61D70.4Confident70.9Confident53 Ų5371.6 Ų71.628%0.28336%0.362SS..Hα-helixtrans-71.6-37.5177.4-59.3-54.2000111.8F57 C58 L59 K64 N65F57-D61 HydrophobicContact CB-CB 4.08Å; F57-D61 HydrophobicContact CD1-CB 3.66Å; F57-D61 HydrophobicContact CG-CB 4.31Å; C58-D61 PolarHBondContact N-OD2 3.17Å; C58-D61 WeakPolarHBondContact O-CB 3.37Å; C58-D61 PolarHBondContact O-N 3.46Å; C58-D61 PolarHBondContact SG-OD2 3.48Å; L59-D61 VanDerWaalsContact C-N 3.32Å; L59-D61 PolarHBondContact O-N 2.96Å; D61-K64 PolarHBondContact O-N 2.95Å; D61-N65 WeakPolarHBondContact O-CB 3.39Å; D61-N65 PolarHBondContact O-N 3.34Å
62I73.6Confident71.1Confident1 Ų169.2 Ų69.21%0.00535%0.35CS..Hα-helixtrans-58.8-55.4170.3-57.4174.2000108.9W48 C52 F57 C58 L59 K64 N65 F66W48-I62 HydrophobicContact CZ3-CG2 4.46Å; C52-I62 HydrophobicContact CB-CD1 3.93Å; F57-I62 HydrophobicContact CB-CG1 4.32Å; C58-I62 PolarHBondContact O-N 3.08Å; L59-I62 PolarHBondContact O-N 3.25Å; I62-K64 PolarHBondContact O-N 3.33Å; I62-K64 VanDerWaalsContact O-N 3.07Å; I62-N65 PolarHBondContact O-N 3.06Å; I62-N65 VanDerWaalsContact O-N 3.08Å; I62-F66 HydrophobicContact CG2-CD2 3.92Å; I62-F66 HydrophobicContact CG2-CE2 3.86Å; I62-F66 WeakPolarHBondContact O-CD2 3.44Å; I62-F66 PolarHBondContact O-N 3.49Å
63G73.8Confident71.2Confident7 Ų771.7 Ų71.77%0.07236%0.362CS..Hα-helixtrans-61.7-18.2178.600000114.8R7 F35 L59 F60R7-G63 PolarHBondContact NH2-O 2.87Å; F35-G63 WeakPolarHBondContact CZ-O 3.21Å; L59-G63 PolarHBondContact O-N 2.71Å; F60-G63 PolarHBondContact O-N 2.74Å
64K73Confident71.7Confident101 Ų10170.9 Ų70.944%0.43936%0.36SS..Hα-helixtrans-87.8-37.6173.9177-176174.6-1700112.1F60 D61 I62 S67 N68F60-K64 HydrophobicContact CE1-CD 4.28Å; F60-K64 WeakPolarHBondContact O-CB 3.2Å; F60-K64 PolarHBondContact O-N 2.82Å; D61-K64 PolarHBondContact O-N 2.95Å; I62-K64 PolarHBondContact O-N 3.33Å; I62-K64 VanDerWaalsContact O-N 3.07Å; K64-S67 PolarHBondContact O-N 2.85Å; K64-S67 PolarHBondContact O-OG 2.88Å; K64-S67 VanDerWaalsContact O-OG 3.05Å; K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 PolarHBondContact O-N 3.48Å; K64-N68 PolarHBondContact O-OD1 3.4Å
65N77.3Confident72.2Confident80 Ų8067.1 Ų67.143%0.42834%0.344SS..Hα-helixtrans-68.4-43178.4-152.6-8.2000110.4W48 D61 I62 S67 N68 S69W48-N65 HydrophobicContact CH2-CB 4Å; D61-N65 WeakPolarHBondContact O-CB 3.39Å; D61-N65 PolarHBondContact O-N 3.34Å; I62-N65 PolarHBondContact O-N 3.06Å; I62-N65 VanDerWaalsContact O-N 3.08Å; N65-S67 PolarHBondContact O-N 3.19Å; N65-N68 CarbonylContact O-C 3.5Å; N65-N68 PolarHBondContact O-N 3.14Å; N65-N68 VanDerWaalsContact O-N 3.13Å; N65-S69 PolarHBondContact O-N 3.13Å
66F78.3Confident73.1Confident6 Ų661.3 Ų61.33%0.02632%0.318CS..Hα-helixtrans-60.6-42.5174-83.8-100.3000113.3A31 Y32 F35 L36 W48 I62 N68 S69 H72A31-F66 HydrophobicContact CB-CD1 4.29Å; A31-F66 HydrophobicContact CB-CD2 4.21Å; A31-F66 HydrophobicContact CB-CE1 4.37Å; A31-F66 HydrophobicContact CB-CE2 4.29Å; A31-F66 HydrophobicContact CB-CG 4.22Å; A31-F66 HydrophobicContact CB-CZ 4.37Å; Y32-F66 HydrophobicContact CD1-CE1 4.19Å; Y32-F66 AromaticContact CD2-CE1 3.51Å; Y32-F66 HydrophobicContact CD2-CE1 3.51Å; Y32-F66 AromaticContact CD2-CZ 3.63Å; Y32-F66 HydrophobicContact CD2-CZ 3.63Å; Y32-F66 HydrophobicContact CE1-CE1 4.15Å; Y32-F66 AromaticContact CE2-CE1 3.49Å; Y32-F66 HydrophobicContact CE2-CE1 3.49Å; Y32-F66 VanDerWaalsContact CE2-CE1 3.49Å; Y32-F66 AromaticContact CE2-CZ 3.32Å; Y32-F66 HydrophobicContact CE2-CZ 3.32Å; Y32-F66 AromaticContact CG-CE1 3.87Å; Y32-F66 HydrophobicContact CG-CE1 3.87Å; Y32-F66 HydrophobicContact CG-CZ 4.44Å; Y32-F66 AromaticContact CZ-CE1 3.8Å; Y32-F66 AromaticContact CZ-CZ 3.91Å; F35-F66 HydrophobicContact CB-CB 3.95Å; F35-F66 HydrophobicContact CB-CD1 4.36Å; F35-F66 HydrophobicContact CD1-CB 4.36Å; F35-F66 HydrophobicContact CD2-CB 3.48Å; F35-F66 VanDerWaalsContact CD2-CB 3.48Å; F35-F66 HydrophobicContact CD2-CD1 4.48Å; F35-F66 HydrophobicContact CD2-CG 4.18Å; F35-F66 HydrophobicContact CE2-CB 4.08Å; F35-F66 HydrophobicContact CG-CB 3.67Å; L36-F66 HydrophobicContact CD1-CD1 4.04Å; L36-F66 HydrophobicContact CD1-CE1 4.02Å; L36-F66 HydrophobicContact CG-CD1 4.3Å; W48-F66 AromaticContact CD2-CE2 3.81Å; W48-F66 HydrophobicContact CD2-CE2 3.81Å; W48-F66 HydrophobicContact CD2-CZ 4.07Å; W48-F66 AromaticContact CE2-CE2 3.61Å; W48-F66 AromaticContact CE2-CZ 3.73Å; W48-F66 AromaticContact CE3-CE2 3.97Å; W48-F66 HydrophobicContact CE3-CE2 3.97Å; W48-F66 HydrophobicContact CG-CE2 4.5Å; W48-F66 HydrophobicContact CG-CZ 4.36Å; W48-F66 HydrophobicContact CH2-CD2 4.21Å; W48-F66 AromaticContact CH2-CE2 3.79Å; W48-F66 HydrophobicContact CH2-CE2 3.79Å; W48-F66 HydrophobicContact CZ2-CD2 4.27Å; W48-F66 AromaticContact CZ2-CE2 3.62Å; W48-F66 HydrophobicContact CZ2-CE2 3.62Å; W48-F66 HydrophobicContact CZ2-CZ 4.05Å; W48-F66 AromaticContact CZ3-CE2 3.96Å; W48-F66 HydrophobicContact CZ3-CE2 3.96Å; W48-F66 AromaticContact NE1-CZ 3.8Å; I62-F66 HydrophobicContact CG2-CD2 3.92Å; I62-F66 HydrophobicContact CG2-CE2 3.86Å; I62-F66 WeakPolarHBondContact O-CD2 3.44Å; I62-F66 PolarHBondContact O-N 3.49Å; F66-N68 PolarHBondContact O-N 3.01Å; F66-S69 WeakPolarHBondContact O-CB 3.3Å; F66-S69 PolarHBondContact O-N 3.28Å; F66-S69 PolarHBondContact O-OG 3.47Å; F66-H72 VanDerWaalsContact O-CB 3.32Å; F66-H72 WeakPolarHBondContact O-CB 3.45Å
67S76.7Confident74.3Confident15 Ų1563.2 Ų63.211%0.10532%0.321CS..Hα-helixtrans-69.6-16.717768.70000114.6R7 K64 N65 H72R7-S67 PolarHBondContact NH2-OG 2.94Å; K64-S67 PolarHBondContact O-N 2.85Å; K64-S67 PolarHBondContact O-OG 2.88Å; K64-S67 VanDerWaalsContact O-OG 3.05Å; N65-S67 PolarHBondContact O-N 3.19Å; S67-H72 PolarHBondContact O-CD2 3.08Å
68N75Confident75.3Confident105 Ų10564.3 Ų64.356%0.56133%0.327SS*.THydrogen-bonded Turntrans-103.30.6-179.2-63.29.8000111.5K64 N65 F66K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 PolarHBondContact O-N 3.48Å; K64-N68 PolarHBondContact O-OD1 3.4Å; N65-N68 CarbonylContact O-C 3.5Å; N65-N68 PolarHBondContact O-N 3.14Å; N65-N68 VanDerWaalsContact O-N 3.13Å; F66-N68 PolarHBondContact O-N 3.01Å
69S80.5Confident75.8Confident33 Ų3365.7 Ų65.723%0.23132%0.322CS..SBendtrans-69.6143.5174.170.50000111N65 F66 E71 H72 L73N65-S69 PolarHBondContact O-N 3.13Å; F66-S69 WeakPolarHBondContact O-CB 3.3Å; F66-S69 PolarHBondContact O-N 3.28Å; F66-S69 PolarHBondContact O-OG 3.47Å; S69-E71 VanDerWaalsContact C-N 3.27Å; S69-E71 PolarHBondContact O-N 3.01Å; S69-H72 PolarHBondContact O-N 3.07Å; S69-H72 WeakPolarHBondContact OG-CB 3.23Å; S69-H72 PolarHBondContact OG-N 3.07Å; S69-L73 PolarHBondContact O-N 3.36Å
70Q79.1Confident76.3Confident116 Ų11669.3 Ų69.354%0.54234%0.34SS..Hα-helixtrans-61.1-39.2178.5-171.861.146.500111.5H72 L73 D74Q70-H72 VanDerWaalsContact C-N 3.28Å; Q70-H72 PolarHBondContact O-N 3.39Å; Q70-L73 PolarHBondContact O-N 2.86Å; Q70-D74 PolarHBondContact NE2-OD1 3.26Å; Q70-D74 VanDerWaalsContact O-CG 3.24Å; Q70-D74 PolarHBondContact O-N 3.47Å
71E79.6Confident76.6Confident72 Ų7270.4 Ų70.434%0.33635%0.345SS..Hα-helixtrans-56.3-41.3176.7-164.9-17115000111.9L36 R38 S69 D74 L75L36-E71 HydrophobicContact CD2-CB 3.9Å; L36-E71 HydrophobicContact CD2-CG 3.97Å; R38-E71 WeakPolarHBondContact CD-OE1 3.5Å; R38-E71 IonicContact CZ-OE1 3.8Å; R38-E71 IonicContact CZ-OE2 3.67Å; R38-E71 IonicContact NE-OE1 3.35Å; R38-E71 PolarHBondContact NE-OE1 3.34Å; R38-E71 IonicContact NE-OE2 2.67Å; R38-E71 PolarHBondContact NE-OE2 3.08Å; R38-E71 IonicContact NH2-OE1 3.39Å; R38-E71 IonicContact NH2-OE2 3.71Å; R38-E71 PolarHBondContact NH2-OE2 3.28Å; S69-E71 VanDerWaalsContact C-N 3.27Å; S69-E71 PolarHBondContact O-N 3.01Å; E71-D74 PolarHBondContact O-N 3.11Å; E71-L75 HydrophobicContact CG-CD1 4.47Å; E71-L75 WeakPolarHBondContact O-CB 3.47Å; E71-L75 WeakPolarHBondContact O-CD1 3.26Å; E71-L75 VanDerWaalsContact O-CG 3.29Å; E71-L75 WeakPolarHBondContact O-CG 3.33Å; E71-L75 PolarHBondContact O-N 2.83Å
72H78.6Confident76.1Confident7 Ų774.8 Ų74.83%0.03236%0.364CS..Hα-helixtrans-65.5-42.3175-178.258.7000112.8L3 F35 L36 F66 S67 S69 Q70 L75 L76L3-H72 WeakPolarHBondContact CD2-CE1 3.45Å; L3-H72 VanDerWaalsContact CD2-NE2 3.32Å; L3-H72 WeakPolarHBondContact CD2-NE2 3.06Å; F35-H72 PolarHBondContact O-ND1 2.04Å; L36-H72 HydrophobicContact CD2-CB 3.88Å; F66-H72 VanDerWaalsContact O-CB 3.32Å; F66-H72 WeakPolarHBondContact O-CB 3.45Å; S67-H72 PolarHBondContact O-CD2 3.08Å; S69-H72 PolarHBondContact O-N 3.07Å; S69-H72 WeakPolarHBondContact OG-CB 3.23Å; S69-H72 PolarHBondContact OG-N 3.07Å; Q70-H72 VanDerWaalsContact C-N 3.28Å; Q70-H72 PolarHBondContact O-N 3.39Å; H72-L75 PolarHBondContact O-N 2.92Å; H72-L76 WeakPolarHBondContact NE2-CD1 3.43Å; H72-L76 WeakPolarHBondContact O-CG 2.99Å; H72-L76 PolarHBondContact O-N 2.92Å
73L78.1Confident75.1Confident69 Ų6985.5 Ų85.536%0.36140%0.404SS..Hα-helixtrans-65.7-39.6178.5-62.7175.5000111.6S69 Q70 L76 Q77S69-L73 PolarHBondContact O-N 3.36Å; Q70-L73 PolarHBondContact O-N 2.86Å; L73-L76 WeakPolarHBondContact O-CB 3.19Å; L73-L76 PolarHBondContact O-N 3.42Å; L73-Q77 WeakPolarHBondContact O-CG 3.47Å; L73-Q77 PolarHBondContact O-N 3.02Å
74D80.7Confident73.9Confident74 Ų7488.6 Ų88.640%0.39643%0.425SS..Hα-helixtrans-66.9-41177.7-65.3-17000111.2Q70 E71 L76 Q77 Q78Q70-D74 PolarHBondContact NE2-OD1 3.26Å; Q70-D74 VanDerWaalsContact O-CG 3.24Å; Q70-D74 PolarHBondContact O-N 3.47Å; E71-D74 PolarHBondContact O-N 3.11Å; D74-L76 PolarHBondContact O-N 3.47Å; D74-Q77 PolarHBondContact O-N 3.47Å; D74-Q78 WeakPolarHBondContact O-CB 3.36Å; D74-Q78 PolarHBondContact O-N 3.47Å
75L80.6Confident72.3Confident50 Ų5091.2 Ų91.226%0.26244%0.436SS..Hα-helixtrans-62.7-38.1172.6-75.5166.8000112.6L36 E71 H72 R79L36-L75 HydrophobicContact CB-CD1 4.21Å; L36-L75 HydrophobicContact CD2-CD1 4.21Å; L36-L75 VanDerWaalsContact O-CD1 3.24Å; L36-L75 WeakPolarHBondContact O-CD1 3.45Å; E71-L75 HydrophobicContact CG-CD1 4.47Å; E71-L75 WeakPolarHBondContact O-CB 3.47Å; E71-L75 WeakPolarHBondContact O-CD1 3.26Å; E71-L75 VanDerWaalsContact O-CG 3.29Å; E71-L75 WeakPolarHBondContact O-CG 3.33Å; E71-L75 PolarHBondContact O-N 2.83Å; H72-L75 PolarHBondContact O-N 2.92Å; L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.05Å; L75-R79 PolarHBondContact O-N 2.87Å
76L77.1Confident70.6Confident62 Ų6293.7 Ų93.733%0.32546%0.457SS..Hα-helixtrans-63.4-45.8171.9-72.2178.5000111.3H72 L73 D74 Q78 R79 I80H72-L76 WeakPolarHBondContact NE2-CD1 3.43Å; H72-L76 WeakPolarHBondContact O-CG 2.99Å; H72-L76 PolarHBondContact O-N 2.92Å; L73-L76 WeakPolarHBondContact O-CB 3.19Å; L73-L76 PolarHBondContact O-N 3.42Å; D74-L76 PolarHBondContact O-N 3.47Å; L76-Q78 PolarHBondContact O-N 2.69Å; L76-R79 PolarHBondContact O-N 3.29Å; L76-I80 WeakPolarHBondContact O-CD1 3.17Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.34Å; L76-I80 PolarHBondContact O-N 3.22Å
77Q78.4Confident68.6Low127 Ų12799.2 Ų99.259%0.59349%0.487SS*.Hα-helixtrans-61.5-42.9176.5-70.6-177.228.400112L73 D74 I80 K81L73-Q77 WeakPolarHBondContact O-CG 3.47Å; L73-Q77 PolarHBondContact O-N 3.02Å; D74-Q77 PolarHBondContact O-N 3.47Å; Q77-I80 PolarHBondContact O-N 2.96Å; Q77-K81 WeakPolarHBondContact O-CB 3.36Å; Q77-K81 PolarHBondContact O-N 3.19Å
78Q76.7Confident66.6Low112 Ų112109.8 Ų109.852%0.52353%0.525SS..Hα-helixtrans-63.1-42.9177-171.9174.32.900111.7D74 L76 I80 K81 Q82D74-Q78 WeakPolarHBondContact O-CB 3.36Å; D74-Q78 PolarHBondContact O-N 3.47Å; L76-Q78 PolarHBondContact O-N 2.69Å; Q78-I80 PolarHBondContact O-N 3.42Å; Q78-K81 PolarHBondContact O-N 3.32Å; Q78-Q82 WeakPolarHBondContact O-CB 3.19Å; Q78-Q82 WeakPolarHBondContact O-CG 3.28Å; Q78-Q82 PolarHBondContact O-N 2.93Å
79R75.4Confident64.8Low102 Ų102114.1 Ų114.139%0.38554%0.538SS..Hα-helixtrans-67.4-31.5176.5-178.3170.2-75.5158.7-3.3113.1D37 L75 L76D37-R79 IonicContact OD2-CZ 3.61Å; D37-R79 IonicContact OD2-NH1 2.72Å; D37-R79 PolarHBondContact OD2-NH1 3.02Å; D37-R79 VanDerWaalsContact OD2-NH1 3.09Å; D37-R79 IonicContact OD2-NH2 3.61Å; D37-R79 PolarHBondContact OD2-NH2 2.93Å; L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.05Å; L75-R79 PolarHBondContact O-N 2.87Å; L76-R79 PolarHBondContact O-N 3.29Å
80I74Confident62.5Low120 Ų120119.8 Ų119.862%0.61557%0.566SS**Hα-helixtrans-69.7-46.6170.9-70.4163000110.1L76 Q77 Q78 Q82 R83L76-I80 WeakPolarHBondContact O-CD1 3.17Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.34Å; L76-I80 PolarHBondContact O-N 3.22Å; Q77-I80 PolarHBondContact O-N 2.96Å; Q78-I80 PolarHBondContact O-N 3.42Å; I80-Q82 VanDerWaalsContact C-N 3.31Å; I80-Q82 PolarHBondContact O-N 3.3Å; I80-R83 WeakPolarHBondContact O-CB 3.32Å; I80-R83 PolarHBondContact O-N 3.46Å
81K71.7Confident60.4Low166 Ų166121.9 Ų121.972%0.72258%0.576SS**Hα-helixtrans-66.1-29.4-179.8-163.1172.8-174.1176.20113.3Q77 Q78 R83 S84Q77-K81 WeakPolarHBondContact O-CB 3.36Å; Q77-K81 PolarHBondContact O-N 3.19Å; Q78-K81 PolarHBondContact O-N 3.32Å; K81-R83 VanDerWaalsContact C-N 3.26Å; K81-R83 PolarHBondContact O-N 2.82Å; K81-S84 PolarHBondContact O-N 3.27Å; K81-S84 PolarHBondContact O-OG 3.48Å
82Q59.2Low57.9Low146 Ų146126.4 Ų126.468%0.68260%0.601SS**THydrogen-bonded Turntrans-72.1-14.3170.6-78.1179.3-23.400114Q78 I80Q78-Q82 WeakPolarHBondContact O-CB 3.19Å; Q78-Q82 WeakPolarHBondContact O-CG 3.28Å; Q78-Q82 PolarHBondContact O-N 2.93Å; I80-Q82 VanDerWaalsContact C-N 3.31Å; I80-Q82 PolarHBondContact O-N 3.3Å
83R54.1Low55.5Low225 Ų225131.2 Ų131.285%0.84964%0.635SS**THydrogen-bonded Turntrans-90.8-9.5174.3-81.8-178.4162.6-170.4-8.2113.9I80 K81 F85I80-R83 WeakPolarHBondContact O-CB 3.32Å; I80-R83 PolarHBondContact O-N 3.46Å; K81-R83 VanDerWaalsContact C-N 3.26Å; K81-R83 PolarHBondContact O-N 2.82Å; R83-F85 PolarHBondContact O-N 2.98Å
84S48.8Very low53.1Low73 Ų73132.3 Ų132.351%0.5165%0.654SS.*SBendtrans-9877.1179.858.50000112.4K81K81-S84 PolarHBondContact O-N 3.27Å; K81-S84 PolarHBondContact O-OG 3.48Å
85F37.8Very low50.7Low155 Ų155137.4 Ų137.468%0.6868%0.675SS**  trans67.5152.4165.9-66-77.6000116.4R83 D87R83-F85 PolarHBondContact O-N 2.98Å; F85-D87 HydrophobicContact CD1-CB 3.76Å; F85-D87 HydrophobicContact CE1-CB 4.2Å; F85-D87 HydrophobicContact CG-CB 4.5Å
86P42.4Very low48.2Very low132 Ų132143.7 Ų143.786%0.85770%0.701SS**PPolyproline II helix-96.9142.167-15.231.8000114.7
87D35.4Very low45.7Very low123 Ų123146.2 Ų146.266%0.65872%0.719SS**PPolyproline II helixtrans-82.5158.3166.9-139-29.2000109.8F85 K89F85-D87 HydrophobicContact CD1-CB 3.76Å; F85-D87 HydrophobicContact CE1-CB 4.2Å; F85-D87 HydrophobicContact CG-CB 4.5Å; D87-K89 PolarHBondContact O-N 2.72Å
88R34.9Very low43.2Very low237 Ų237148.4 Ų148.489%0.89473%0.734SS**PPolyproline II helixtrans-64.2123.7-171.7-77.2-176.5172.8178.5-3.3112.4
89K37.5Very low40.7Very low195 Ų195146.8 Ų146.885%0.84875%0.747SS**PPolyproline II helixtrans-91.5124.3141.9-77-172.9175.7-175.90107.5D87D87-K89 PolarHBondContact O-N 2.72Å
90D32.7Very low38.3Very low153 Ų153150.8 Ų150.882%0.81877%0.77SS**  trans172.1142.9155.5-83-24.5000106.7
91E33.7Very low36.5Very low159 Ų159150.5 Ų150.574%0.74378%0.776SS**  cis-161.6131.5-22.5-177.9-175.3-151.400107.1
92I28.4Very low34.2Very low167 Ų167146 Ų14686%0.85678%0.776SS**  trans-142.2111.6157.7-58.7-176.6000108.6
93S28.3Very low32.7Very low109 Ų109147.6 Ų147.676%0.76278%0.783SS**  trans-89119.7168.3-77.70000110.8
94A28Very low31.2Very low91 Ų91142 Ų14275%0.75278%0.775SS**  trans-140.190.4168.300000110
95E30.1Very low29.8Very low181 Ų181145.8 Ų145.885%0.84679%0.787SS**  trans-2.9123.5157.9-172.9-178171.500117.7
96K26.8Very low29.1Very low182 Ų182144.9 Ų144.979%0.79180%0.795SS**  170.5104.9112.3-168.4160.9-169.7164.40115.8
97T25.1Very low28.3Very low115 Ų115145.9 Ų145.971%0.70679%0.791SS**  trans50.9112.9134.7-45.60000122
98L25.5Very low27.7Very low174 Ų174144.9 Ų144.991%0.91179%0.793SS**  trans71.8119.9139.9-171.170.8000120.5
99G25.6Very low27.1Very low77 Ų77139.2 Ų139.279%0.79479%0.786SS**  trans158.198.715800000117.1
100E23.6Very low26.6Very low187 Ų187136.3 Ų136.387%0.87478%0.779SS**  trans-92.6170.5152.4-113.9-159.3121.800109
101P37.8Very low26.3Very low114 Ų114135 Ų13574%0.7478%0.777SS**  cis-131.9-175.3-26.837.6-21.3000112.2
102G22.6Very low25.9Very low70 Ų70130.9 Ų130.972%0.72277%0.769SS**  trans134.2118.214800000120.4
103E26.7Very low25.8Very low180 Ų180130 Ų13084%0.84177%0.767SS**  54.9104.4129.8-77.9-174.1155.600124.2
104T22.7Very low25.6Very low108 Ų108130.9 Ų130.966%0.66377%0.767SS**  65.9116.3122.252.10000125.2
105I21.3Very low25.5Very low152 Ų152132 Ų13278%0.77977%0.769SS**  trans76.4150134.5-46.6156.5000119.3
106V23.1Very low25.3Very low137 Ų137131.1 Ų131.183%0.8377%0.769SS**  trans110.8133158.4-170.20000116.5
107I23.8Very low25.1Very low153 Ų153125.7 Ų125.779%0.78577%0.766SS**  trans-100.4137.6-172.3-61.9151.1000111
108S22.9Very low25.8Very low101 Ų101125.7 Ų125.771%0.70677%0.767SS**  trans-172.2141.8140.8-80.40000110.4
109T23.9Very low25.8Very low119 Ų119126.6 Ų126.673%0.7376%0.764SS**  54.9134.971.615.80000114
110D25.7Very low26.3Very low133 Ų133128 Ų12871%0.71176%0.759SS**  cis-163.11749.6-163.27.9000112.7
111V26.6Very low26.3Very low127 Ų127127.3 Ų127.377%0.7776%0.761SS**  trans59157.8160.7-1030000120.6
112A25.4Very low25.8Very low71 Ų71128 Ų12859%0.58776%0.763SS**  cis-151.5156.20.800000113.3
113N26.3Very low26.5Very low150 Ų150129.5 Ų129.580%0.80276%0.76SS**  177.3112.4114.7-92.8-17.9000111.9
114V25.1Very low26.4Very low127 Ų127127.6 Ų127.677%0.7776%0.756SS**  88.7108.390.1166.90000114.7
115S25.4Very low26.7Very low114 Ų114130.1 Ų130.180%0.79777%0.765SS**  -172.3175.5116.4-158.30000111.4
116L26.2Very low27.1Very low162 Ų162128 Ų12885%0.84876%0.76SS**  trans-105.5156.7-167.2-60.791.3000114.6
117G22.8Very low27.4Very low69 Ų69129.4 Ų129.471%0.71176%0.761SS**  trans-91.4-148.116600000113
118P38.7Very low27.7Very low114 Ų114130.1 Ų130.174%0.7477%0.766SS**  cis-137.1159.110.341.6-24.1000118.1
119F25.6Very low28Very low194 Ų194133.3 Ų133.385%0.85178%0.775SS**  16.7159.6128.5-57.9-68.1000122
120P35.7Very low28.2Very low105 Ų105136.1 Ų136.168%0.68278%0.78SS**  cis-145.7167.126.843-23.9000119.9
121L23.5Very low28.4Very low174 Ų174136.2 Ų136.291%0.91178%0.779SS**  trans-138.6156.8142.2-78.2-178.8000108.9
122T27.8Very low28.4Very low128 Ų128137 Ų13779%0.78578%0.778SS**  trans-133.3180-174.267.30000109.9
123P36.7Very low28.5Very low101 Ų101139.2 Ų139.266%0.65678%0.78SS**  -127.8-177.8-103.635.4-14000114.5
124D26Very low28.7Very low141 Ų141138.1 Ų138.175%0.75477%0.774SS**  trans43.1129154.4-50.7-28.6000120.5
125D28.1Very low29Very low160 Ų160137.3 Ų137.386%0.85677%0.769SS**  -143.6148.3103.5-140-20000113.7
126T28.8Very low29.1Very low109 Ų109138.5 Ų138.567%0.66977%0.766SS**  trans-83.1136.6-162.5-380000111.9
127L30.9Very low29.2Very low165 Ų165136.7 Ų136.786%0.86476%0.758SS**  167.2102.6130-92.8166.9000112.4
128L29.7Very low29.4Very low169 Ų169139.4 Ų139.489%0.88576%0.756SS**  trans173.981.2146-99.9175.5000108.2
129N29.2Very low29.2Very low167 Ų167139.9 Ų139.989%0.89376%0.756SS**  trans-15968.6177-116.4-15.1000113.5
130E28Very low29.2Very low179 Ų179140.3 Ų140.384%0.83676%0.758SS**  trans-159.1129.3154.7-93.6-159.8140.900104.6
131I30Very low28.9Very low134 Ų134142.7 Ų142.769%0.68776%0.762SS**  cis-143.2114.28.1-91146.9000105
132L27.2Very low29.2Very low143 Ų143139.9 Ų139.975%0.74975%0.754SS**  93.1149.3101.7-171.163.1000113.5
133D26.9Very low29.1Very low119 Ų119139.8 Ų139.864%0.63675%0.753SS**  trans6587.5165.2-74.2-15.9000120.4
134N30.4Very low28.4Very low127 Ų127141.2 Ų141.268%0.67976%0.761SS**  96.299.7121.9-59.5-40.7000120.1
135T30.7Very low28.9Very low109 Ų109143.3 Ų143.367%0.66977%0.766SS**  27.9113.3122.944.50000116.7
136L28.6Very low28.8Very low140 Ų140146.2 Ų146.273%0.73377%0.765SS**  cis57.1146.829.9-123.4-166.2000114.3
137N27.7Very low28.8Very low124 Ų124148.7 Ų148.766%0.66377%0.769SS**  trans78143169.9-42.2-42.6000118.4
138D26.6Very low28.8Very low126 Ų126146 Ų14667%0.67476%0.76SS**  cis-158.5161.8-46.8-131.7-51.7000113.5
139T34.4Very low28.7Very low123 Ų123147.2 Ų147.276%0.75576%0.761SS**  trans-31.5120153.1-44.70000115.6
140K26.8Very low28.7Very low203 Ų203147.5 Ų147.588%0.88375%0.754SS**  -160.4134.5127.8-134.7172.3-177.6172.30114.5
141M29.9Very low28.9Very low155 Ų155143.7 Ų143.776%0.76475%0.754SS**  trans-78.7159.5165-78.8-113.867.300111.2
142P27.8Very low28.9Very low115 Ų115143.1 Ų143.175%0.74776%0.756SS**  -136.5166.6101.539.2-29.6000115.6
143T26.6Very low29.7Very low126 Ų126142.6 Ų142.677%0.77375%0.753SS**  trans-53.2141177.7-37.30000115
144T22.2Very low31.2Very low132 Ų132141.9 Ų141.981%0.8175%0.746SS**  -178.1151.8125.6-70.70000109.4
145E37.2Very low33.3Very low184 Ų184138 Ų13886%0.8672%0.724SS**  trans-69.5141.4-173.4-58.3166.2137.200113.3
146R25.7Very low35.5Very low221 Ų221134 Ų13483%0.83470%0.698SS**  trans-155.3105.9150.2-141169.3-170.7153.95.4114.1
147E29.3Very low38Very low162 Ų162134.8 Ų134.876%0.75769%0.691SS**  trans39.3100.3140.6-59.9168.7122.500117.9E149E147-E149 PolarHBondContact O-N 3.22Å
148T29.4Very low40.7Very low109 Ų109129.4 Ų129.467%0.66966%0.662SS**  trans-65.2112.7168.9-540000111.7F150T148-F150 HydrophobicContact CG2-CD2 4.05Å; T148-F150 HydrophobicContact CG2-CE2 3.98Å; T148-F150 HydrophobicContact CG2-CG 4.44Å; T148-F150 HydrophobicContact CG2-CZ 4.33Å; T148-F150 VanDerWaalsContact O-CD2 3.28Å; T148-F150 WeakPolarHBondContact O-CD2 3.07Å; T148-F150 PolarHBondContact O-N 2.77Å; T148-F150 VanDerWaalsContact O-N 3.11Å
149E28.2Very low43.6Very low194 Ų194126.7 Ų126.791%0.90765%0.646SS**  trans-68.4104.9161.1-74.8-168.6130.100109.8E147E147-E149 PolarHBondContact O-N 3.22Å
150F28.9Very low46.2Very low172 Ų172120.9 Ų120.975%0.75461%0.61SS**  trans-74.9125176.2-77.7-97.2000110.9T148 V152T148-F150 HydrophobicContact CG2-CD2 4.05Å; T148-F150 HydrophobicContact CG2-CE2 3.98Å; T148-F150 HydrophobicContact CG2-CG 4.44Å; T148-F150 HydrophobicContact CG2-CZ 4.33Å; T148-F150 VanDerWaalsContact O-CD2 3.28Å; T148-F150 WeakPolarHBondContact O-CD2 3.07Å; T148-F150 PolarHBondContact O-N 2.77Å; T148-F150 VanDerWaalsContact O-N 3.11Å; F150-V152 PolarHBondContact O-N 2.94Å; F150-V152 VanDerWaalsContact O-N 3.14Å
151A32.1Very low49Very low100 Ų100111.5 Ų111.583%0.82657%0.57SS**  trans-62.7114.3158.800000108.5L153A151-L153 PolarHBondContact O-N 2.85Å
152V30.8Very low51.7Low121 Ų121104.1 Ų104.173%0.73353%0.533SS*.  trans-67.8104.3-172.8-179.10000110.3F150 E154F150-V152 PolarHBondContact O-N 2.94Å; F150-V152 VanDerWaalsContact O-N 3.14Å; V152-E154 HydrophobicContact CG1-CG 4.39Å; V152-E154 PolarHBondContact O-N 3.47Å
153L43.3Very low54.3Low132 Ų13298.9 Ų98.969%0.69150%0.5SS*.  trans-75.7111.4162-16884.3000107.4A151 E155A151-L153 PolarHBondContact O-N 2.85Å; L153-E155 PolarHBondContact O-N 3.22Å
154E58.1Low56.9Low104 Ų10493.5 Ų93.549%0.48647%0.466SS..  trans-67.5104.6-174.5-63-156.5154.500112.4V152 R232V152-E154 HydrophobicContact CG1-CG 4.39Å; V152-E154 PolarHBondContact O-N 3.47Å; E154-R232 HydrophobicContact CB-CB 4.19Å; E154-R232 VanDerWaalsContact O-CB 3.27Å; E154-R232 WeakPolarHBondContact O-CB 3.4Å; E154-R232 PolarHBondContact O-N 2.97Å; E154-R232 IonicContact OE1-NH1 3.35Å; E154-R232 WeakPolarHBondContact OE2-CD 3.46Å; E154-R232 IonicContact OE2-CZ 3.88Å; E154-R232 IonicContact OE2-NE 3.6Å; E154-R232 IonicContact OE2-NH1 3.49Å; E154-R232 PolarHBondContact OE2-NH1 3.06Å
155E75.5Confident59.2Low46 Ų4691 Ų9122%0.21545%0.45CS..EExtended strand (participates in β ladder)trans-91.9126.9171.5-67.9-172.4151.700110.1L153 R157 K203 I229L153-E155 PolarHBondContact O-N 3.22Å; E155-R157 IonicContact OE2-NE 2.86Å; E155-R157 IonicContact OE2-NH2 2.75Å; E155-R157 PolarHBondContact OE2-NH2 3.5Å; E155-K203 WeakPolarHBondContact OE1-CD 3.27Å; E155-K203 WeakPolarHBondContact OE1-CE 3.47Å; E155-K203 IonicContact OE1-NZ 3.5Å; E155-K203 PolarHBondContact OE1-NZ 3.01Å; E155-I229 HydrophobicContact CB-CG2 3.89Å; E155-I229 HydrophobicContact CG-CG2 4.08Å
156Q76.4Confident60.6Low25 Ų2589.1 Ų89.112%0.11745%0.446CS..EExtended strand (participates in β ladder)trans-84.7119.7167.3-176.1169.12.200108.8F230 R232 L277Q156-F230 HydrophobicContact CB-CB 4.49Å; Q156-F230 PolarHBondContact N-O 3.45Å; Q156-F230 PolarHBondContact O-N 2.71Å; Q156-R232 HydrophobicContact CB-CB 4.44Å; Q156-L277 HydrophobicContact CG-CD2 4.33Å
157R81.8Confident62.9Low157 Ų15780.3 Ų80.359%0.59241%0.414SS*.EExtended strand (participates in β ladder)trans-102.2140.4177.3-55.1-171.4176.5168.60.8109.3E155 T227 I229E155-R157 IonicContact OE2-NE 2.86Å; E155-R157 IonicContact OE2-NH2 2.75Å; E155-R157 PolarHBondContact OE2-NH2 3.5Å; R157-T227 HydrophobicContact CB-CG2 4.25Å; R157-I229 HydrophobicContact CG-CD1 4.18Å; R157-I229 HydrophobicContact CG-CG1 4.13Å
158V84.9Confident65.4Low11 Ų1180.3 Ų80.37%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-130.6115175-177.10000107.2T227 A228 F230 L277 I281 F298V158-T227 WeakPolarHBondContact O-CA 3.33Å; V158-A228 PolarHBondContact N-O 2.79Å; V158-A228 PolarHBondContact O-N 3.41Å; V158-F230 HydrophobicContact CB-CE2 4.47Å; V158-F230 HydrophobicContact CG2-CD2 4.23Å; V158-F230 HydrophobicContact CG2-CE2 4.17Å; V158-L277 HydrophobicContact CG2-CD2 3.76Å; V158-L277 HydrophobicContact CG2-CG 4.41Å; V158-I281 HydrophobicContact CB-CD1 4.38Å; V158-I281 HydrophobicContact CG1-CD1 4.01Å; V158-I281 HydrophobicContact CG2-CD1 4.43Å; V158-F298 HydrophobicContact CG1-CD1 3.94Å; V158-F298 HydrophobicContact CG1-CE1 4.17Å
159E87.1Confident67.9Low68 Ų6876.8 Ų76.832%0.31839%0.388SS..EExtended strand (participates in β ladder)trans-95138.3170.4-165.5-174.4127.200110.2L208 L226 T299E159-L208 HydrophobicContact CG-CD1 3.92Å; E159-L226 WeakPolarHBondContact CA-O 3.36Å; E159-L226 WeakPolarHBondContact CG-O 3.45Å; E159-T299 PolarHBondContact O-N 2.04Å; E159-T299 VanDerWaalsContact O-N 3.1Å; E159-T299 PolarHBondContact OE1-OG1 2.83Å
160L87.4Confident70.6Confident1 Ų172.1 Ų72.11%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-151159.2177.265.695.6000110.9V162 F196 L226 I281 I296 Q297 F298L160-V162 HydrophobicContact CD1-CG2 3.48Å; L160-V162 VanDerWaalsContact CD1-CG2 3.48Å; L160-F196 HydrophobicContact CD2-CZ 4.15Å; L160-L226 HydrophobicContact CD1-CD1 3.78Å; L160-L226 HydrophobicContact CD1-CD2 3.96Å; L160-L226 HydrophobicContact CD1-CG 3.76Å; L160-L226 HydrophobicContact CD2-CD1 3.92Å; L160-L226 HydrophobicContact CG-CD1 3.58Å; L160-L226 HydrophobicContact CG-CG 3.97Å; L160-L226 PolarHBondContact N-O 3.48Å; L160-L226 PolarHBondContact O-N 2.82Å; L160-I281 HydrophobicContact CD2-CG2 3.66Å; L160-I296 HydrophobicContact CD1-CG2 4.43Å; L160-Q297 CarbonylContact C-O 3.6Å; L160-Q297 WeakPolarHBondContact CA-O 3.07Å; L160-Q297 WeakPolarHBondContact CB-O 3.01Å; L160-F298 HydrophobicContact CB-CD1 3.68Å; L160-F298 HydrophobicContact CB-CE1 4.03Å; L160-F298 HydrophobicContact CB-CG 4.38Å; L160-F298 HydrophobicContact CD2-CD1 4.15Å; L160-F298 HydrophobicContact CD2-CE1 3.71Å
161S85.9Confident73.1Confident6 Ų667.9 Ų67.94%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-117.2147.3169.266.50000112.1R211 E223 M224 I296 Q297S161-R211 PolarHBondContact OG-NH2 2.82Å; S161-E223 WeakPolarHBondContact CB-OE1 3.43Å; S161-E223 PolarHBondContact OG-OE1 3Å; S161-M224 CarbonylContact C-O 3.5Å; S161-M224 WeakPolarHBondContact CA-O 3.46Å; S161-I296 WeakPolarHBondContact O-CA 3.27Å; S161-Q297 PolarHBondContact N-O 3.14Å; S161-Q297 PolarHBondContact O-N 2.86Å
162V86.6Confident75.6Confident0 Ų067.7 Ų67.70%034%0.343CS..EExtended strand (participates in β ladder)trans-129.8120.3179.4-173.20000108.4L160 E223 M224 L226 L285 V293L160-V162 HydrophobicContact CD1-CG2 3.48Å; L160-V162 VanDerWaalsContact CD1-CG2 3.48Å; V162-E223 WeakPolarHBondContact O-CA 3.24Å; V162-M224 HydrophobicContact CB-CE 4.39Å; V162-M224 PolarHBondContact N-O 2.72Å; V162-M224 PolarHBondContact O-N 3.02Å; V162-L226 HydrophobicContact CG2-CD2 4.36Å; V162-L285 HydrophobicContact CG2-CD1 4.46Å; V162-V293 HydrophobicContact CG1-CG1 4.01Å
163S82.3Confident78.2Confident5 Ų562 Ų624%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-81.7128.1170.556.50000111.6K213 G294 T295S163-K213 VanDerWaalsContact CB-NZ 3.31Å; S163-K213 PolarHBondContact OG-NZ 3.1Å; S163-G294 WeakPolarHBondContact O-CA 3.15Å; S163-G294 PolarHBondContact O-N 3.3Å; S163-T295 PolarHBondContact N-O 2.63Å; S163-T295 VanDerWaalsContact N-O 3.09Å; S163-T295 PolarHBondContact OG-N 3.26Å; S163-T295 PolarHBondContact OG-O 2.79Å
164L82.1Confident80.1Confident14 Ų1459.6 Ų59.67%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-93.9103.1-179.7-56.1175000108.6Q167 F210 T222 M224L164-Q167 HydrophobicContact CB-CB 4.05Å; L164-Q167 PolarHBondContact O-N 3.43Å; L164-F210 HydrophobicContact CD1-CE1 4.45Å; L164-T222 HydrophobicContact CD1-CG2 4.33Å; L164-T222 PolarHBondContact N-O 3.04Å; L164-M224 HydrophobicContact CD1-CB 4.39Å; L164-M224 HydrophobicContact CD2-CE 4.41Å
165V69.9Low81.4Confident78 Ų7858.4 Ų58.447%0.47330%0.304SS..EExtended strand (participates in β ladder)trans-68.7-45.4-163.71720000112.1Q167 D292V165-Q167 PolarHBondContact O-N 3.33Å; V165-Q167 VanDerWaalsContact O-N 3.1Å; V165-D292 VanDerWaalsContact CB-OD2 3.29Å; V165-D292 WeakPolarHBondContact CB-OD2 3.35Å; V165-D292 PolarHBondContact N-O 3.03Å
166N66.4Low81.8Confident145 Ų14558.9 Ų58.978%0.77531%0.313SS*.EExtended strand (participates in β ladder)trans-70.73.3175.5-91.7-64.2000114.7D292N166-D292 HydrophobicContact CB-CB 4.5Å; N166-D292 WeakPolarHBondContact CB-OD2 3.48Å; N166-D292 VanDerWaalsContact CG-OD2 3.23Å; N166-D292 PolarHBondContact N-OD2 2.91Å; N166-D292 VanDerWaalsContact ND2-CG 3.29Å; N166-D292 PolarHBondContact ND2-OD2 3.06Å
167Q73.8Confident82.2Confident36 Ų3664.1 Ų64.117%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-122.7100.8-174.5-163171.311.900113.6L164 V165 Y180 T222L164-Q167 HydrophobicContact CB-CB 4.05Å; L164-Q167 PolarHBondContact O-N 3.43Å; V165-Q167 PolarHBondContact O-N 3.33Å; V165-Q167 VanDerWaalsContact O-N 3.1Å; Q167-Y180 PolarHBondContact NE2-OH 3.39Å; Q167-Y180 VanDerWaalsContact NE2-OH 3.1Å; Q167-T222 VanDerWaalsContact O-CB 3.29Å; Q167-T222 WeakPolarHBondContact O-CB 3.32Å; Q167-T222 PolarHBondContact O-N 2.8Å; Q167-T222 PolarHBondContact O-OG1 2.81Å
168K82.3Confident82.6Confident162 Ų16257.1 Ų57.170%0.70431%0.313SS*.EExtended strand (participates in β ladder)trans-62.7135.6169.4-62.5-175-179.1-1780110.8S220 T222K168-S220 WeakPolarHBondContact CA-O 3.33Å; K168-T222 PolarHBondContact O-OG1 2.92Å
169F82.4Confident82.7Confident36 Ų3661.6 Ų61.616%0.15834%0.342CS..  trans-66.2139.5176.6-174.7-91.8000110.2L173 A174 F210 P212 S220 T222F169-L173 HydrophobicContact CD2-CB 4.31Å; F169-L173 HydrophobicContact CD2-CD1 4.41Å; F169-L173 HydrophobicContact CE2-CB 3.78Å; F169-L173 HydrophobicContact CZ-CB 4.15Å; F169-A174 HydrophobicContact CZ-CB 4.3Å; F169-F210 HydrophobicContact CE2-CB 4.32Å; F169-P212 HydrophobicContact CB-CB 4.15Å; F169-P212 HydrophobicContact CD1-CB 3.68Å; F169-P212 HydrophobicContact CD1-CG 4.26Å; F169-P212 HydrophobicContact CD2-CB 4.13Å; F169-P212 HydrophobicContact CE1-CB 4.08Å; F169-P212 HydrophobicContact CE1-CG 4.14Å; F169-P212 HydrophobicContact CE2-CB 4.5Å; F169-P212 HydrophobicContact CG-CB 3.71Å; F169-P212 HydrophobicContact CZ-CB 4.48Å; F169-P212 HydrophobicContact CZ-CG 4.32Å; F169-S220 PolarHBondContact N-O 2.87Å; F169-T222 WeakPolarHBondContact CA-OG1 3.49Å; F169-T222 HydrophobicContact CD2-CG2 4.39Å; F169-T222 PolarHBondContact N-OG1 3.15Å
170K83.9Confident82.6Confident96 Ų9661.3 Ų61.342%0.41734%0.338SS..  trans-123.3155.2171.9-44.2-174.3-172.4172.60110.7E172 L173 Y180K170-E172 WeakPolarHBondContact CB-OE2 3.41Å; K170-E172 PolarHBondContact O-N 3Å; K170-L173 WeakPolarHBondContact O-CB 3.26Å; K170-L173 PolarHBondContact O-N 3.18Å; K170-Y180 HydrophobicContact CB-CE1 4.47Å; K170-Y180 HydrophobicContact CD-CD1 4.23Å; K170-Y180 HydrophobicContact CD-CE1 3.64Å; K170-Y180 HydrophobicContact CG-CE1 4.1Å
171A82Confident82.7Confident82 Ų8262.7 Ų62.768%0.67834%0.344SS*.G310 helixtrans-60-30.9-17800000113.2L173 A174A171-L173 PolarHBondContact O-N 2.91Å; A171-L173 VanDerWaalsContact O-N 3.14Å; A171-A174 WeakPolarHBondContact O-CB 3.33Å; A171-A174 PolarHBondContact O-N 3.29Å
172E84.7Confident82.9Confident96 Ų9667.1 Ų67.145%0.44936%0.364SS..G310 helixtrans-73.30.7178.5-40.286.3160.200113.3K170 S178 Y180K170-E172 WeakPolarHBondContact CB-OE2 3.41Å; K170-E172 PolarHBondContact O-N 3Å; E172-S178 WeakPolarHBondContact O-CB 3.23Å; E172-S178 PolarHBondContact O-OG 3.48Å; E172-Y180 HydrophobicContact CB-CD1 4.49Å
173L85.6Confident83Confident1 Ų173.2 Ų73.21%0.00539%0.392CS..G310 helixtrans-94.5-5.7167.8-64.1-178.1000113.2F169 K170 A171 Y180 Y181 L184 F210 T222F169-L173 HydrophobicContact CD2-CB 4.31Å; F169-L173 HydrophobicContact CD2-CD1 4.41Å; F169-L173 HydrophobicContact CE2-CB 3.78Å; F169-L173 HydrophobicContact CZ-CB 4.15Å; K170-L173 WeakPolarHBondContact O-CB 3.26Å; K170-L173 PolarHBondContact O-N 3.18Å; A171-L173 PolarHBondContact O-N 2.91Å; A171-L173 VanDerWaalsContact O-N 3.14Å; L173-Y180 HydrophobicContact CD1-CE1 4.02Å; L173-Y180 HydrophobicContact CD2-CD1 3.5Å; L173-Y180 VanDerWaalsContact CD2-CD1 3.5Å; L173-Y180 HydrophobicContact CD2-CE1 3.63Å; L173-Y180 HydrophobicContact CD2-CG 4.35Å; L173-Y180 HydrophobicContact CG-CD1 3.86Å; L173-Y180 HydrophobicContact CG-CE1 3.73Å; L173-Y181 WeakPolarHBondContact O-CD2 3.33Å; L173-L184 HydrophobicContact CD1-CD2 3.83Å; L173-L184 HydrophobicContact CD2-CB 4.45Å; L173-L184 HydrophobicContact CD2-CD2 3.66Å; L173-L184 HydrophobicContact CG-CD2 4.43Å; L173-F210 HydrophobicContact CB-CB 4.14Å; L173-F210 HydrophobicContact CB-CD2 4.48Å; L173-F210 HydrophobicContact CD2-CD2 4.15Å; L173-T222 HydrophobicContact CD1-CG2 3.78Å
174A84Confident83.3Confident82 Ų8273.8 Ų73.868%0.67840%0.395SS*.SBendtrans-83.2-16.2171.300000113F169 A171F169-A174 HydrophobicContact CZ-CB 4.3Å; A171-A174 WeakPolarHBondContact O-CB 3.33Å; A171-A174 PolarHBondContact O-N 3.29Å
175D85Confident83.6Confident79 Ų7973.8 Ų73.842%0.42240%0.397SS..  trans-105.9119177.617717.8000111.5Q177 S178 Y181D175-Q177 PolarHBondContact O-N 2.81Å; D175-Q177 PolarHBondContact OD1-N 3.2Å; D175-S178 VanDerWaalsContact O-CB 3.25Å; D175-S178 WeakPolarHBondContact O-CB 3.17Å; D175-S178 PolarHBondContact O-N 3.49Å; D175-Y181 WeakPolarHBondContact O-CB 3.41Å
176S84.1Confident84.5Confident57 Ų5772.1 Ų72.140%0.39940%0.396SS..THydrogen-bonded Turntrans-61.5-21.117566.70000115.2Y181 Q182S176-Y181 WeakPolarHBondContact O-CD1 3.48Å; S176-Q182 PolarHBondContact O-NE2 3.34Å
177Q83.1Confident85.4Confident134 Ų13471.1 Ų71.163%0.62638%0.384SS*.THydrogen-bonded Turntrans-93.1-6-179-54.8-51.3-64.400113D175D175-Q177 PolarHBondContact O-N 2.81Å; D175-Q177 PolarHBondContact OD1-N 3.2Å
178S90.6Very high86Confident11 Ų1169.6 Ų69.68%0.07738%0.378CS..  trans-62.8134.1172.7165.30000111.2E172 D175 Y180 Y181 Q182E172-S178 WeakPolarHBondContact O-CB 3.23Å; E172-S178 PolarHBondContact O-OG 3.48Å; D175-S178 VanDerWaalsContact O-CB 3.25Å; D175-S178 WeakPolarHBondContact O-CB 3.17Å; D175-S178 PolarHBondContact O-N 3.49Å; S178-Y180 PolarHBondContact O-N 3.34Å; S178-Y180 PolarHBondContact OG-N 3.25Å; S178-Y181 WeakPolarHBondContact O-CB 3.39Å; S178-Y181 PolarHBondContact O-N 2.67Å; S178-Y181 VanDerWaalsContact O-N 3.13Å; S178-Y181 PolarHBondContact OG-N 2.85Å; S178-Q182 WeakPolarHBondContact O-CG 3.25Å; S178-Q182 PolarHBondContact O-N 2.89Å
179P87.3Confident86.4Confident104 Ų10464.9 Ų64.968%0.67536%0.358SS*.Hα-helixtrans-61.8-32174.526-33.7000111.6Q182 E183P179-Q182 PolarHBondContact O-N 2.97Å; P179-E183 WeakPolarHBondContact O-CB 3.49Å; P179-E183 PolarHBondContact O-N 3.02Å
180Y85.5Confident86.6Confident62 Ų6268.8 Ų68.824%0.24338%0.38CS..Hα-helixtrans-70.3-34.7176.6-174.8-119.7000112.4Q167 K170 E172 L173 S178 L184Q167-Y180 PolarHBondContact NE2-OH 3.39Å; Q167-Y180 VanDerWaalsContact NE2-OH 3.1Å; K170-Y180 HydrophobicContact CB-CE1 4.47Å; K170-Y180 HydrophobicContact CD-CD1 4.23Å; K170-Y180 HydrophobicContact CD-CE1 3.64Å; K170-Y180 HydrophobicContact CG-CE1 4.1Å; E172-Y180 HydrophobicContact CB-CD1 4.49Å; L173-Y180 HydrophobicContact CD1-CE1 4.02Å; L173-Y180 HydrophobicContact CD2-CD1 3.5Å; L173-Y180 VanDerWaalsContact CD2-CD1 3.5Å; L173-Y180 HydrophobicContact CD2-CE1 3.63Å; L173-Y180 HydrophobicContact CD2-CG 4.35Å; L173-Y180 HydrophobicContact CG-CD1 3.86Å; L173-Y180 HydrophobicContact CG-CE1 3.73Å; S178-Y180 PolarHBondContact O-N 3.34Å; S178-Y180 PolarHBondContact OG-N 3.25Å; Y180-L184 VanDerWaalsContact O-CB 3.27Å; Y180-L184 WeakPolarHBondContact O-CB 3.39Å; Y180-L184 PolarHBondContact O-N 2.92Å
181Y90.2Very high86.6Confident30 Ų3066.5 Ų66.512%0.11837%0.371CS..Hα-helixtrans-64.4-47.2169.6176.4-81000110.7L173 D175 S176 S178 L184 A185 L208 G209 F210L173-Y181 WeakPolarHBondContact O-CD2 3.33Å; D175-Y181 WeakPolarHBondContact O-CB 3.41Å; S176-Y181 WeakPolarHBondContact O-CD1 3.48Å; S178-Y181 WeakPolarHBondContact O-CB 3.39Å; S178-Y181 PolarHBondContact O-N 2.67Å; S178-Y181 VanDerWaalsContact O-N 3.13Å; S178-Y181 PolarHBondContact OG-N 2.85Å; Y181-L184 PolarHBondContact O-N 3.24Å; Y181-A185 HydrophobicContact CD1-CB 4.3Å; Y181-A185 HydrophobicContact CE1-CB 4.03Å; Y181-A185 WeakPolarHBondContact O-CB 3.42Å; Y181-A185 PolarHBondContact O-N 3.11Å; Y181-L208 PolarHBondContact OH-O 2.87Å; Y181-G209 WeakPolarHBondContact OH-CA 3.42Å; Y181-F210 AromaticContact CD2-CD2 3.69Å; Y181-F210 HydrophobicContact CD2-CD2 3.69Å; Y181-F210 HydrophobicContact CD2-CE2 4.06Å; Y181-F210 AromaticContact CE2-CD2 3.68Å; Y181-F210 HydrophobicContact CE2-CD2 3.68Å; Y181-F210 HydrophobicContact CE2-CE2 4.06Å
182Q90.1Very high86.9Confident99 Ų9962.6 Ų62.646%0.46334%0.339SS..Hα-helixtrans-67.5-42.9-174.8-69.1177.57.100112.5S176 S178 P179 G186S176-Q182 PolarHBondContact O-NE2 3.34Å; S178-Q182 WeakPolarHBondContact O-CG 3.25Å; S178-Q182 PolarHBondContact O-N 2.89Å; P179-Q182 PolarHBondContact O-N 2.97Å; Q182-G186 PolarHBondContact O-N 2.65Å
183E88.6Confident87Confident129 Ų12960.7 Ų60.760%0.60333%0.33SS*.Hα-helixtrans-59.1-50173.3-169.5-157.3147.300110.8P179 G186 K187P179-E183 WeakPolarHBondContact O-CB 3.49Å; P179-E183 PolarHBondContact O-N 3.02Å; E183-G186 PolarHBondContact O-N 2.8Å; E183-K187 VanDerWaalsContact O-CB 3.25Å; E183-K187 WeakPolarHBondContact O-CB 3.45Å; E183-K187 PolarHBondContact O-N 3.23Å
184L88Confident87Confident16 Ų1666.9 Ų66.98%0.08436%0.357CS..Hα-helixtrans-66.5-43.9-178.2-172.865.2000112.1L173 Y180 Y181 K187 S188 F210L173-L184 HydrophobicContact CD1-CD2 3.83Å; L173-L184 HydrophobicContact CD2-CB 4.45Å; L173-L184 HydrophobicContact CD2-CD2 3.66Å; L173-L184 HydrophobicContact CG-CD2 4.43Å; Y180-L184 VanDerWaalsContact O-CB 3.27Å; Y180-L184 WeakPolarHBondContact O-CB 3.39Å; Y180-L184 PolarHBondContact O-N 2.92Å; Y181-L184 PolarHBondContact O-N 3.24Å; L184-K187 PolarHBondContact O-N 3.22Å; L184-S188 WeakPolarHBondContact O-CB 3.31Å; L184-S188 PolarHBondContact O-N 3.47Å; L184-S188 PolarHBondContact O-OG 3.05Å; L184-F210 HydrophobicContact CB-CE2 4.19Å; L184-F210 HydrophobicContact CB-CZ 4.09Å; L184-F210 HydrophobicContact CD2-CD1 4.15Å; L184-F210 HydrophobicContact CD2-CD2 4.24Å; L184-F210 HydrophobicContact CD2-CE1 3.75Å; L184-F210 HydrophobicContact CD2-CE2 3.85Å; L184-F210 HydrophobicContact CD2-CG 4.39Å; L184-F210 HydrophobicContact CD2-CZ 3.6Å; L184-F210 HydrophobicContact CG-CE1 4Å; L184-F210 HydrophobicContact CG-CE2 4.04Å; L184-F210 HydrophobicContact CG-CZ 3.54Å
185A88.6Confident87.1Confident15 Ų1563 Ų6312%0.12433%0.325CS..Hα-helixtrans-62.3-44.4176.800000111.2Y181 Q189 V207 F210Y181-A185 HydrophobicContact CD1-CB 4.3Å; Y181-A185 HydrophobicContact CE1-CB 4.03Å; Y181-A185 WeakPolarHBondContact O-CB 3.42Å; Y181-A185 PolarHBondContact O-N 3.11Å; A185-Q189 WeakPolarHBondContact O-CB 3.39Å; A185-Q189 PolarHBondContact O-N 3.07Å; A185-V207 HydrophobicContact CB-CB 4.44Å; A185-V207 HydrophobicContact CB-CG1 4.32Å; A185-F210 HydrophobicContact CB-CE2 4.09Å; A185-F210 HydrophobicContact CB-CZ 4.33Å
186G87.8Confident87.2Confident43 Ų4359.3 Ų59.344%0.44331%0.305SS..Hα-helixtrans-62.3-49176.600000112.6Q182 E183 Q189 L190Q182-G186 PolarHBondContact O-N 2.65Å; E183-G186 PolarHBondContact O-N 2.8Å; G186-Q189 PolarHBondContact O-N 2.86Å; G186-L190 WeakPolarHBondContact O-CB 3.48Å; G186-L190 PolarHBondContact O-N 2.94Å
187K87.1Confident87.4Confident123 Ų12363.5 Ų63.554%0.53532%0.316SS..Hα-helixtrans-60.5-52.2177.6-178.7177179.3177.90111.9E183 L184 Q189 L190 Q191E183-K187 VanDerWaalsContact O-CB 3.25Å; E183-K187 WeakPolarHBondContact O-CB 3.45Å; E183-K187 PolarHBondContact O-N 3.23Å; L184-K187 PolarHBondContact O-N 3.22Å; K187-Q189 PolarHBondContact O-N 2.94Å; K187-L190 PolarHBondContact O-N 3.09Å; K187-Q191 WeakPolarHBondContact O-CG 3.49Å; K187-Q191 PolarHBondContact O-N 3.44Å
188S86.3Confident87.5Confident5 Ų563.4 Ų63.44%0.03531%0.313CS..Hα-helixtrans-64.4-39.4179.4-63.80000111.8L184 L190 Q191 M192 M224L184-S188 WeakPolarHBondContact O-CB 3.31Å; L184-S188 PolarHBondContact O-N 3.47Å; L184-S188 PolarHBondContact O-OG 3.05Å; S188-L190 VanDerWaalsContact C-N 3.35Å; S188-L190 PolarHBondContact O-N 3.09Å; S188-Q191 PolarHBondContact O-N 3.14Å; S188-M192 VanDerWaalsContact O-CB 3.29Å; S188-M192 WeakPolarHBondContact O-CB 3.47Å; S188-M192 WeakPolarHBondContact O-CG 3.39Å; S188-M192 PolarHBondContact O-N 3.01Å; S188-M224 WeakPolarHBondContact CB-SD 3.4Å
189Q89.4Confident87.2Confident63 Ų6363.7 Ų63.729%0.29431%0.314SS..Hα-helixtrans-62.9-40174.6-172.3174-78.800111.8A185 G186 K187 Q193 I205 V207A185-Q189 WeakPolarHBondContact O-CB 3.39Å; A185-Q189 PolarHBondContact O-N 3.07Å; G186-Q189 PolarHBondContact O-N 2.86Å; K187-Q189 PolarHBondContact O-N 2.94Å; Q189-Q193 WeakPolarHBondContact O-CB 3.34Å; Q189-Q193 VanDerWaalsContact O-CG 3.27Å; Q189-Q193 WeakPolarHBondContact O-CG 3.37Å; Q189-Q193 PolarHBondContact O-N 3.04Å; Q189-I205 HydrophobicContact CG-CG2 4.41Å; Q189-V207 HydrophobicContact CB-CG2 4Å
190L87.6Confident86.9Confident117 Ų11762.4 Ų62.461%0.61331%0.305SS*.Hα-helixtrans-66.6-41.8176.9-176.961.8000112G186 K187 S188 Q193 K194G186-L190 WeakPolarHBondContact O-CB 3.48Å; G186-L190 PolarHBondContact O-N 2.94Å; K187-L190 PolarHBondContact O-N 3.09Å; S188-L190 VanDerWaalsContact C-N 3.35Å; S188-L190 PolarHBondContact O-N 3.09Å; L190-Q193 PolarHBondContact O-N 3.37Å; L190-K194 PolarHBondContact O-N 3Å
191Q83.9Confident86.7Confident48 Ų4860.9 Ų60.922%0.22431%0.309CS..Hα-helixtrans-63.8-48.6174.1-68.5-176.5-96.500111.1K187 S188 Q193 K194 I195 S290 L291K187-Q191 WeakPolarHBondContact O-CG 3.49Å; K187-Q191 PolarHBondContact O-N 3.44Å; S188-Q191 PolarHBondContact O-N 3.14Å; Q191-Q193 VanDerWaalsContact C-N 3.33Å; Q191-Q193 PolarHBondContact O-N 2.7Å; Q191-K194 WeakPolarHBondContact O-CB 3.47Å; Q191-K194 PolarHBondContact O-N 3.46Å; Q191-K194 VanDerWaalsContact O-N 3.07Å; Q191-I195 WeakPolarHBondContact O-CG1 3.42Å; Q191-I195 PolarHBondContact O-N 2.86Å; Q191-I195 VanDerWaalsContact O-N 3.16Å; Q191-S290 PolarHBondContact NE2-O 3.04Å; Q191-S290 VanDerWaalsContact NE2-O 3.1Å; Q191-L291 HydrophobicContact CB-CD1 4.26Å; Q191-L291 HydrophobicContact CB-CD2 4.3Å; Q191-L291 HydrophobicContact CB-CG 4.47Å; Q191-L291 VanDerWaalsContact NE2-CD2 3.27Å
192M86.8Confident86.6Confident1 Ų161.2 Ų61.21%0.00531%0.311CS..Hα-helixtrans-56.4-42.9173.6-71.9-71.2113.900112.2S188 K194 I195 F196 I205 M224 L226 L285 L291S188-M192 VanDerWaalsContact O-CB 3.29Å; S188-M192 WeakPolarHBondContact O-CB 3.47Å; S188-M192 WeakPolarHBondContact O-CG 3.39Å; S188-M192 PolarHBondContact O-N 3.01Å; M192-K194 VanDerWaalsContact C-N 3.33Å; M192-K194 PolarHBondContact O-N 3.07Å; M192-I195 HydrophobicContact CE-CD1 4.35Å; M192-I195 PolarHBondContact O-N 3.38Å; M192-F196 WeakPolarHBondContact O-CB 3.47Å; M192-F196 VanDerWaalsContact O-CD2 3.25Å; M192-F196 WeakPolarHBondContact O-CD2 3.48Å; M192-F196 PolarHBondContact O-N 2.82Å; M192-F196 HydrophobicContact SD-CE2 3.97Å; M192-I205 HydrophobicContact CB-CD1 3.84Å; M192-I205 HydrophobicContact CB-CG1 4.44Å; M192-I205 HydrophobicContact CB-CG2 4.24Å; M192-I205 HydrophobicContact CG-CD1 4.47Å; M192-M224 HydrophobicContact CE-CE 4.15Å; M192-M224 HydrophobicContact CG-CE 4.1Å; M192-M224 HydrophobicContact SD-CE 4.18Å; M192-L226 HydrophobicContact CG-CD2 3.92Å; M192-L226 HydrophobicContact SD-CD2 3.48Å; M192-L226 WeakPolarHBondContact SD-CD2 3.29Å; M192-L285 HydrophobicContact CE-CD2 3.54Å; M192-L285 HydrophobicContact SD-CD2 3.99Å; M192-L291 HydrophobicContact CE-CD1 3.2Å
193Q87.1Confident86.5Confident55 Ų5561 Ų6126%0.25731%0.308SS..Hα-helixtrans-61.4-38.5175-80.3-177.122.100112.8Q189 L190 Q191 I195 K197 I205Q189-Q193 WeakPolarHBondContact O-CB 3.34Å; Q189-Q193 VanDerWaalsContact O-CG 3.27Å; Q189-Q193 WeakPolarHBondContact O-CG 3.37Å; Q189-Q193 PolarHBondContact O-N 3.04Å; L190-Q193 PolarHBondContact O-N 3.37Å; Q191-Q193 VanDerWaalsContact C-N 3.33Å; Q191-Q193 PolarHBondContact O-N 2.7Å; Q193-I195 VanDerWaalsContact C-N 3.33Å; Q193-K197 VanDerWaalsContact O-CB 3.31Å; Q193-K197 WeakPolarHBondContact O-CB 3.42Å; Q193-K197 WeakPolarHBondContact O-CD 3.38Å; Q193-K197 WeakPolarHBondContact O-CG 3.45Å; Q193-K197 PolarHBondContact O-N 3.46Å; Q193-K197 VanDerWaalsContact O-N 3.07Å; Q193-I205 HydrophobicContact CB-CG2 4.32Å; Q193-I205 HydrophobicContact CG-CG2 3.37Å
194K86.2Confident86.4Confident132 Ų13259 Ų5957%0.57430%0.298SS*.Hα-helixtrans-62.9-41.1177.2-172.7-168.3174.3-160.40111.4L190 Q191 M192L190-K194 PolarHBondContact O-N 3Å; Q191-K194 WeakPolarHBondContact O-CB 3.47Å; Q191-K194 PolarHBondContact O-N 3.46Å; Q191-K194 VanDerWaalsContact O-N 3.07Å; M192-K194 VanDerWaalsContact C-N 3.33Å; M192-K194 PolarHBondContact O-N 3.07Å
195I85.9Confident86.5Confident1 Ų158.4 Ų58.41%0.00530%0.295CS..Hα-helixtrans-70.3-55.2178.9-60.3-179.2000110.5Q191 M192 Q193 K197 K198 A284 L285 E288 L291Q191-I195 WeakPolarHBondContact O-CG1 3.42Å; Q191-I195 PolarHBondContact O-N 2.86Å; Q191-I195 VanDerWaalsContact O-N 3.16Å; M192-I195 HydrophobicContact CE-CD1 4.35Å; M192-I195 PolarHBondContact O-N 3.38Å; Q193-I195 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 2.59Å; I195-K198 WeakPolarHBondContact O-CB 3.46Å; I195-K198 PolarHBondContact O-N 3.42Å; I195-A284 HydrophobicContact CG2-CB 3.99Å; I195-A284 WeakPolarHBondContact CG2-O 3.48Å; I195-L285 HydrophobicContact CD1-CD2 4.14Å; I195-L285 HydrophobicContact CG2-CD2 4.4Å; I195-E288 HydrophobicContact CD1-CB 3.73Å; I195-E288 HydrophobicContact CD1-CG 3.81Å; I195-E288 HydrophobicContact CG1-CB 4.26Å; I195-E288 HydrophobicContact CG1-CG 3.76Å; I195-E288 HydrophobicContact CG2-CG 4.33Å; I195-L291 HydrophobicContact CD1-CD1 3.72Å
196F87.8Confident86.5Confident0 Ų060.6 Ų60.60%030%0.302CS..Hα-helixtrans-69.4-18.4-173.8-78.3-117.6000113.4L160 M192 K198 L199 F202 I205 A228 F230 I281 L285L160-F196 HydrophobicContact CD2-CZ 4.15Å; M192-F196 WeakPolarHBondContact O-CB 3.47Å; M192-F196 VanDerWaalsContact O-CD2 3.25Å; M192-F196 WeakPolarHBondContact O-CD2 3.48Å; M192-F196 PolarHBondContact O-N 2.82Å; M192-F196 HydrophobicContact SD-CE2 3.97Å; F196-K198 PolarHBondContact O-N 3.15Å; F196-L199 HydrophobicContact CB-CD1 4.43Å; F196-L199 HydrophobicContact CD1-CD1 3.77Å; F196-L199 HydrophobicContact CE1-CD1 4.21Å; F196-L199 HydrophobicContact CG-CD1 4.1Å; F196-L199 WeakPolarHBondContact O-CB 3.42Å; F196-L199 PolarHBondContact O-N 3.32Å; F196-F202 HydrophobicContact CB-CD1 4.2Å; F196-F202 HydrophobicContact CB-CD2 3.78Å; F196-F202 HydrophobicContact CB-CE1 3.99Å; F196-F202 HydrophobicContact CB-CE2 3.56Å; F196-F202 HydrophobicContact CB-CG 4.09Å; F196-F202 HydrophobicContact CB-CZ 3.66Å; F196-F202 HydrophobicContact CD1-CD2 4.26Å; F196-F202 HydrophobicContact CD1-CE2 4.11Å; F196-F202 HydrophobicContact CG-CE2 4.22Å; F196-F202 WeakPolarHBondContact O-CB 3.36Å; F196-F202 WeakPolarHBondContact O-CD1 3.25Å; F196-F202 WeakPolarHBondContact O-CG 3.47Å; F196-I205 HydrophobicContact CD1-CD1 3.8Å; F196-I205 HydrophobicContact CD2-CD1 3.75Å; F196-I205 HydrophobicContact CE1-CD1 3.85Å; F196-I205 HydrophobicContact CE2-CD1 3.78Å; F196-I205 HydrophobicContact CG-CD1 3.76Å; F196-I205 HydrophobicContact CZ-CD1 3.82Å; F196-A228 HydrophobicContact CD1-CB 3.79Å; F196-A228 HydrophobicContact CE1-CB 3.49Å; F196-A228 VanDerWaalsContact CE1-CB 3.49Å; F196-A228 HydrophobicContact CZ-CB 4.48Å; F196-F230 AromaticContact CD1-CZ 3.87Å; F196-F230 HydrophobicContact CD1-CZ 3.87Å; F196-F230 HydrophobicContact CE1-CZ 4.21Å; F196-I281 HydrophobicContact CE1-CB 4.49Å; F196-I281 HydrophobicContact CE1-CD1 4.13Å; F196-I281 HydrophobicContact CE1-CG1 3.86Å; F196-I281 HydrophobicContact CE1-CG2 3.86Å; F196-I281 HydrophobicContact CE2-CG2 4.49Å; F196-I281 HydrophobicContact CZ-CG1 4.39Å; F196-I281 HydrophobicContact CZ-CG2 3.53Å; F196-L285 HydrophobicContact CE2-CD1 4.37Å; F196-L285 HydrophobicContact CE2-CD2 4.17Å; F196-L285 HydrophobicContact CE2-CG 4.31Å; F196-L285 HydrophobicContact CZ-CD1 4.42Å
197K87.1Confident86.6Confident145 Ų14559.5 Ų59.563%0.6329%0.287SS*.THydrogen-bonded Turntrans-59.7-20.1168.2-86.9170.2-177.7176.90114.1Q193 I195 L199 F202Q193-K197 VanDerWaalsContact O-CB 3.31Å; Q193-K197 WeakPolarHBondContact O-CB 3.42Å; Q193-K197 WeakPolarHBondContact O-CD 3.38Å; Q193-K197 WeakPolarHBondContact O-CG 3.45Å; Q193-K197 PolarHBondContact O-N 3.46Å; Q193-K197 VanDerWaalsContact O-N 3.07Å; I195-K197 PolarHBondContact O-N 2.59Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-F202 HydrophobicContact CG-CD1 4.33Å; K197-F202 HydrophobicContact CG-CE1 4.31Å
198K84.6Confident86.7Confident133 Ų13357.7 Ų57.758%0.57828%0.282SS*.THydrogen-bonded Turntrans-75.6-16.2172.2-63.3171.7170.2174.40113I195 F196 E288I195-K198 WeakPolarHBondContact O-CB 3.46Å; I195-K198 PolarHBondContact O-N 3.42Å; F196-K198 PolarHBondContact O-N 3.15Å; K198-E288 IonicContact NZ-OE1 2.65Å; K198-E288 PolarHBondContact NZ-OE1 2.75Å
199L85.4Confident86.7Confident17 Ų1757.8 Ų57.89%0.08929%0.285CS..SBendtrans-89.9134.3-173.3-60.7178.4000111.6F196 K197 F202 F230 L280 I281 A284F196-L199 HydrophobicContact CB-CD1 4.43Å; F196-L199 HydrophobicContact CD1-CD1 3.77Å; F196-L199 HydrophobicContact CE1-CD1 4.21Å; F196-L199 HydrophobicContact CG-CD1 4.1Å; F196-L199 WeakPolarHBondContact O-CB 3.42Å; F196-L199 PolarHBondContact O-N 3.32Å; K197-L199 VanDerWaalsContact C-N 3.29Å; L199-F202 WeakPolarHBondContact O-CB 3.34Å; L199-F202 PolarHBondContact O-N 3.16Å; L199-F230 HydrophobicContact CB-CE1 3.98Å; L199-F230 HydrophobicContact CD1-CE1 4.16Å; L199-F230 HydrophobicContact CD1-CZ 4.08Å; L199-L280 HydrophobicContact CD2-CB 3.99Å; L199-I281 HydrophobicContact CD1-CB 4.48Å; L199-I281 HydrophobicContact CD1-CG1 3.61Å; L199-A284 HydrophobicContact CD2-CB 3.96Å; L199-A284 HydrophobicContact CG-CB 4.47Å
200P81.2Confident86.8Confident76 Ų7655.5 Ų55.549%0.49427%0.274SS..THydrogen-bonded Turntrans-61.4146.2177.627.8-36.2000111.3F202 L272 L280P200-F202 PolarHBondContact O-N 2.94Å; P200-F202 VanDerWaalsContact O-N 3.13Å; P200-L272 HydrophobicContact CG-CD1 3.53Å; P200-L280 HydrophobicContact CG-CD1 4.5Å
201G81.6Confident86.8Confident31 Ų3153.7 Ų53.732%0.3226%0.259SS..THydrogen-bonded Turntrans72.3-6.1179.600000115.9K203 F230 K231G201-K203 PolarHBondContact O-N 3.13Å; G201-F230 CarbonylContact O-C 3.55Å; G201-F230 VanDerWaalsContact O-CA 3.31Å; G201-F230 WeakPolarHBondContact O-CA 3.3Å; G201-K231 PolarHBondContact O-N 2.92Å
202F87.3Confident86.9Confident36 Ų3655 Ų5516%0.15827%0.271CS..EExtended strand (participates in β ladder)trans-56.7135.7-177.7-179.5-114.6000112.7F196 K197 L199 P200 K204 I205 F230F196-F202 HydrophobicContact CB-CD1 4.2Å; F196-F202 HydrophobicContact CB-CD2 3.78Å; F196-F202 HydrophobicContact CB-CE1 3.99Å; F196-F202 HydrophobicContact CB-CE2 3.56Å; F196-F202 HydrophobicContact CB-CG 4.09Å; F196-F202 HydrophobicContact CB-CZ 3.66Å; F196-F202 HydrophobicContact CD1-CD2 4.26Å; F196-F202 HydrophobicContact CD1-CE2 4.11Å; F196-F202 HydrophobicContact CG-CE2 4.22Å; F196-F202 WeakPolarHBondContact O-CB 3.36Å; F196-F202 WeakPolarHBondContact O-CD1 3.25Å; F196-F202 WeakPolarHBondContact O-CG 3.47Å; K197-F202 HydrophobicContact CG-CD1 4.33Å; K197-F202 HydrophobicContact CG-CE1 4.31Å; L199-F202 WeakPolarHBondContact O-CB 3.34Å; L199-F202 PolarHBondContact O-N 3.16Å; P200-F202 PolarHBondContact O-N 2.94Å; P200-F202 VanDerWaalsContact O-N 3.13Å; F202-K204 VanDerWaalsContact CE2-C 3.41Å; F202-K204 VanDerWaalsContact CE2-O 3.29Å; F202-K204 WeakPolarHBondContact CE2-O 3.4Å; F202-K204 VanDerWaalsContact CZ-C 3.49Å; F202-I205 HydrophobicContact CE2-CB 3.9Å; F202-I205 HydrophobicContact CE2-CG2 4.46Å; F202-I205 HydrophobicContact CZ-CB 3.81Å; F202-I205 HydrophobicContact CZ-CG2 3.88Å; F202-F230 HydrophobicContact CB-CD1 4.06Å; F202-F230 HydrophobicContact CB-CE1 3.94Å; F202-F230 HydrophobicContact CD2-CD1 4.39Å; F202-F230 AromaticContact CD2-CE1 3.98Å; F202-F230 HydrophobicContact CD2-CE1 3.98Å; F202-F230 HydrophobicContact CD2-CZ 4.21Å; F202-F230 HydrophobicContact CG-CE1 4.45Å
203K87.1Confident86.7Confident94 Ų9457 Ų5741%0.40928%0.28SS..EExtended strand (participates in β ladder)trans-119.3-50.8-179.2-171.6-179.6-178.5-1770112.5E155 G201 I229E155-K203 WeakPolarHBondContact OE1-CD 3.27Å; E155-K203 WeakPolarHBondContact OE1-CE 3.47Å; E155-K203 IonicContact OE1-NZ 3.5Å; E155-K203 PolarHBondContact OE1-NZ 3.01Å; G201-K203 PolarHBondContact O-N 3.13Å; K203-I229 WeakPolarHBondContact CA-O 3.46Å; K203-I229 WeakPolarHBondContact CB-O 3.43Å; K203-I229 PolarHBondContact N-O 2.91Å
204K87.8Confident86.4Confident88 Ų8863.5 Ų63.538%0.38331%0.307SS..EExtended strand (participates in β ladder)trans-164.4161.3178.555.2179.6-172141.30111.9F202 H206 I229F202-K204 VanDerWaalsContact CE2-C 3.41Å; F202-K204 VanDerWaalsContact CE2-O 3.29Å; F202-K204 WeakPolarHBondContact CE2-O 3.4Å; F202-K204 VanDerWaalsContact CZ-C 3.49Å; K204-H206 WeakPolarHBondContact CD-NE2 3.43Å; K204-H206 VanDerWaalsContact CE-CE1 3.49Å; K204-H206 WeakPolarHBondContact CE-CE1 3.26Å; K204-H206 PolarHBondContact NZ-CE1 2.85Å; K204-H206 VanDerWaalsContact NZ-CE1 3.34Å; K204-H206 PolarHBondContact NZ-NE2 2.79Å; K204-I229 HydrophobicContact CG-CB 4.09Å; K204-I229 HydrophobicContact CG-CD1 4.49Å; K204-I229 PolarHBondContact N-O 3.25Å; K204-I229 PolarHBondContact O-N 3.44Å
205I90.1Very high86Confident4 Ų460.6 Ų60.62%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-136.6143.9175.5-167.5155.5000108.7Q189 M192 Q193 F196 F202 L226 T227 A228Q189-I205 HydrophobicContact CG-CG2 4.41Å; M192-I205 HydrophobicContact CB-CD1 3.84Å; M192-I205 HydrophobicContact CB-CG1 4.44Å; M192-I205 HydrophobicContact CB-CG2 4.24Å; M192-I205 HydrophobicContact CG-CD1 4.47Å; Q193-I205 HydrophobicContact CB-CG2 4.32Å; Q193-I205 HydrophobicContact CG-CG2 3.37Å; F196-I205 HydrophobicContact CD1-CD1 3.8Å; F196-I205 HydrophobicContact CD2-CD1 3.75Å; F196-I205 HydrophobicContact CE1-CD1 3.85Å; F196-I205 HydrophobicContact CE2-CD1 3.78Å; F196-I205 HydrophobicContact CG-CD1 3.76Å; F196-I205 HydrophobicContact CZ-CD1 3.82Å; F202-I205 HydrophobicContact CE2-CB 3.9Å; F202-I205 HydrophobicContact CE2-CG2 4.46Å; F202-I205 HydrophobicContact CZ-CB 3.81Å; F202-I205 HydrophobicContact CZ-CG2 3.88Å; I205-L226 HydrophobicContact CD1-CD1 3.62Å; I205-L226 HydrophobicContact CD1-CD2 4.44Å; I205-L226 HydrophobicContact CG1-CD1 3.89Å; I205-T227 WeakPolarHBondContact CA-O 3.46Å; I205-A228 HydrophobicContact CD1-CB 4.04Å; I205-A228 HydrophobicContact CG1-CB 4.29Å
206H88.6Confident85.4Confident61 Ų6170.7 Ų70.728%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-132.7138.6177.5-36.375.7000108.8K204 L226 T227K204-H206 WeakPolarHBondContact CD-NE2 3.43Å; K204-H206 VanDerWaalsContact CE-CE1 3.49Å; K204-H206 WeakPolarHBondContact CE-CE1 3.26Å; K204-H206 PolarHBondContact NZ-CE1 2.85Å; K204-H206 VanDerWaalsContact NZ-CE1 3.34Å; K204-H206 PolarHBondContact NZ-NE2 2.79Å; H206-L226 CarbonylContact O-C 3.51Å; H206-L226 VanDerWaalsContact O-CA 3.26Å; H206-L226 WeakPolarHBondContact O-CA 3.36Å; H206-L226 WeakPolarHBondContact O-CB 3.39Å; H206-T227 PolarHBondContact N-O 2.65Å; H206-T227 PolarHBondContact O-N 2.75Å
207V90.4Very high84.6Confident19 Ų1977.7 Ų77.712%0.11538%0.377CS..EExtended strand (participates in β ladder)trans-78.3123.9166.2175.50000107.8A185 Q189 F210 M224A185-V207 HydrophobicContact CB-CB 4.44Å; A185-V207 HydrophobicContact CB-CG1 4.32Å; Q189-V207 HydrophobicContact CB-CG2 4Å; V207-F210 HydrophobicContact CG1-CE1 4.39Å; V207-F210 HydrophobicContact CG1-CE2 4.34Å; V207-F210 HydrophobicContact CG1-CZ 4.01Å; V207-M224 HydrophobicContact CG1-CG 3.99Å; V207-M224 HydrophobicContact CG1-SD 4.26Å; V207-M224 HydrophobicContact CG2-CG 4.38Å; V207-M224 HydrophobicContact CG2-SD 3.71Å
208L87.4Confident83.8Confident85 Ų8574.1 Ų74.145%0.44538%0.382SS..EExtended strand (participates in β ladder)trans-81-34.6176.9-66.5-179.1000111.7E159 Y181 Q225 T227E159-L208 HydrophobicContact CG-CD1 3.92Å; Y181-L208 PolarHBondContact OH-O 2.87Å; L208-Q225 HydrophobicContact CB-CB 4.05Å; L208-Q225 HydrophobicContact CD1-CB 4.49Å; L208-Q225 PolarHBondContact N-O 3.09Å; L208-T227 WeakPolarHBondContact CD1-OG1 3.24Å
209G88.3Confident83.3Confident8 Ų869.6 Ų69.68%0.08237%0.367CS..EExtended strand (participates in β ladder)trans162.9-172.617900000113Y181 Q225Y181-G209 WeakPolarHBondContact OH-CA 3.42Å; G209-Q225 PolarHBondContact N-O 3.25Å; G209-Q225 PolarHBondContact O-N 3.04Å
210F90.4Very high82.8Confident15 Ų1571 Ų717%0.06638%0.378CS..EExtended strand (participates in β ladder)trans-125136.1177.3-56.8-77.1000109.7L164 F169 L173 Y181 L184 A185 V207 T222 E223 M224L164-F210 HydrophobicContact CD1-CE1 4.45Å; F169-F210 HydrophobicContact CE2-CB 4.32Å; L173-F210 HydrophobicContact CB-CB 4.14Å; L173-F210 HydrophobicContact CB-CD2 4.48Å; L173-F210 HydrophobicContact CD2-CD2 4.15Å; Y181-F210 AromaticContact CD2-CD2 3.69Å; Y181-F210 HydrophobicContact CD2-CD2 3.69Å; Y181-F210 HydrophobicContact CD2-CE2 4.06Å; Y181-F210 AromaticContact CE2-CD2 3.68Å; Y181-F210 HydrophobicContact CE2-CD2 3.68Å; Y181-F210 HydrophobicContact CE2-CE2 4.06Å; L184-F210 HydrophobicContact CB-CE2 4.19Å; L184-F210 HydrophobicContact CB-CZ 4.09Å; L184-F210 HydrophobicContact CD2-CD1 4.15Å; L184-F210 HydrophobicContact CD2-CD2 4.24Å; L184-F210 HydrophobicContact CD2-CE1 3.75Å; L184-F210 HydrophobicContact CD2-CE2 3.85Å; L184-F210 HydrophobicContact CD2-CG 4.39Å; L184-F210 HydrophobicContact CD2-CZ 3.6Å; L184-F210 HydrophobicContact CG-CE1 4Å; L184-F210 HydrophobicContact CG-CE2 4.04Å; L184-F210 HydrophobicContact CG-CZ 3.54Å; A185-F210 HydrophobicContact CB-CE2 4.09Å; A185-F210 HydrophobicContact CB-CZ 4.33Å; V207-F210 HydrophobicContact CG1-CE1 4.39Å; V207-F210 HydrophobicContact CG1-CE2 4.34Å; V207-F210 HydrophobicContact CG1-CZ 4.01Å; F210-T222 HydrophobicContact CB-CG2 3.9Å; F210-T222 HydrophobicContact CD1-CG2 3.68Å; F210-T222 HydrophobicContact CG-CG2 4.05Å; F210-E223 CarbonylContact C-O 3.55Å; F210-E223 WeakPolarHBondContact CA-O 3.36Å; F210-M224 HydrophobicContact CD1-CB 3.8Å; F210-M224 HydrophobicContact CD1-CG 4.14Å; F210-M224 HydrophobicContact CE1-CB 3.77Å; F210-M224 HydrophobicContact CE1-CG 3.75Å; F210-M224 HydrophobicContact CE1-SD 4.02Å
211R87.3Confident82.8Confident79 Ų7967.6 Ų67.630%0.29836%0.356SS..EExtended strand (participates in β ladder)trans-122.1148.117769.8-174.1-170.3-158.51111.5S161 K213 E223S161-R211 PolarHBondContact OG-NH2 2.82Å; R211-K213 PolarHBondContact O-N 2.86Å; R211-E223 HydrophobicContact CG-CB 3.9Å; R211-E223 HydrophobicContact CG-CG 4.23Å; R211-E223 IonicContact CZ-OE1 2.63Å; R211-E223 IonicContact CZ-OE2 2.79Å; R211-E223 VanDerWaalsContact CZ-OE2 3.23Å; R211-E223 PolarHBondContact N-O 3.17Å; R211-E223 VanDerWaalsContact NE-CD 3.34Å; R211-E223 IonicContact NE-OE2 3.09Å; R211-E223 PolarHBondContact NE-OE2 2.92Å; R211-E223 IonicContact NH2-OE1 3.95Å; R211-E223 PolarHBondContact NH2-OE1 2.85Å; R211-E223 IonicContact NH2-OE2 2.71Å; R211-E223 PolarHBondContact NH2-OE2 3.05Å; R211-E223 PolarHBondContact O-N 2.58Å
212P86.1Confident83.1Confident74 Ų7466.1 Ų66.148%0.48134%0.34SS..EExtended strand (participates in β ladder)trans-73.8113.8173.127.4-30.8000110.4F169F169-P212 HydrophobicContact CB-CB 4.15Å; F169-P212 HydrophobicContact CD1-CB 3.68Å; F169-P212 HydrophobicContact CD1-CG 4.26Å; F169-P212 HydrophobicContact CD2-CB 4.13Å; F169-P212 HydrophobicContact CE1-CB 4.08Å; F169-P212 HydrophobicContact CE1-CG 4.14Å; F169-P212 HydrophobicContact CE2-CB 4.5Å; F169-P212 HydrophobicContact CG-CB 3.71Å; F169-P212 HydrophobicContact CZ-CB 4.48Å; F169-P212 HydrophobicContact CZ-CG 4.32Å
213K83.5Confident83.1Confident43 Ų4364.7 Ų64.719%0.18733%0.334CS..EExtended strand (participates in β ladder)trans-91.7115.9171.1-177176.5177.6176.60108.6S163 R211 S220 S221 E223 T295S163-K213 VanDerWaalsContact CB-NZ 3.31Å; S163-K213 PolarHBondContact OG-NZ 3.1Å; R211-K213 PolarHBondContact O-N 2.86Å; K213-S220 CarbonylContact O-C 3.59Å; K213-S220 VanDerWaalsContact O-CA 3.3Å; K213-S220 WeakPolarHBondContact O-CA 3.35Å; K213-S221 PolarHBondContact N-O 3.29Å; K213-S221 PolarHBondContact O-N 3.42Å; K213-E223 HydrophobicContact CB-CB 3.92Å; K213-E223 HydrophobicContact CD-CB 4.27Å; K213-T295 VanDerWaalsContact NZ-CB 3.32Å; K213-T295 PolarHBondContact NZ-OG1 3.43Å
214K80.8Confident83.2Confident193 Ų19360.3 Ų60.384%0.83932%0.315SS*.EExtended strand (participates in β ladder)trans-72.7129.6176.3-71.4-174177.6-1780110.2
215E76.4Confident83.3Confident71 Ų7158.6 Ų58.633%0.33231%0.309SS..  trans-98.5166.9178.8-60-179.9137.200110.7D217 G218 S219 S221E215-D217 PolarHBondContact O-N 3.48Å; E215-G218 PolarHBondContact O-N 2.74Å; E215-S219 PolarHBondContact N-O 3.29Å; E215-S219 VanDerWaalsContact OE2-CB 3.31Å; E215-S219 WeakPolarHBondContact OE2-CB 3.48Å; E215-S219 PolarHBondContact OE2-OG 3.31Å; E215-S221 WeakPolarHBondContact CG-OG 3.44Å; E215-S221 WeakPolarHBondContact OE1-CB 3.45Å; E215-S221 PolarHBondContact OE1-OG 2.6Å
216K74.8Confident83.3Confident212 Ų21258.4 Ų58.492%0.92231%0.308SS*.THydrogen-bonded Turntrans-62.2-28.3-178-66.6-178.8-179.9176.90112.5G218K216-G218 VanDerWaalsContact C-N 3.28Å; K216-G218 PolarHBondContact O-N 2.83Å
217D71.1Confident83.4Confident148 Ų14856.4 Ų56.479%0.79130%0.3SS*.THydrogen-bonded Turntrans-88.86.4-176-45.9-46.7000112.7E215 S219E215-D217 PolarHBondContact O-N 3.48Å; D217-S219 VanDerWaalsContact C-N 3.28Å; D217-S219 PolarHBondContact O-N 2.93Å
218G70.3Confident83.3Confident70 Ų7055.5 Ų55.572%0.72229%0.294SS*.SBendtrans83.3-6.9179.500000115E215 K216E215-G218 PolarHBondContact O-N 2.74Å; K216-G218 VanDerWaalsContact C-N 3.28Å; K216-G218 PolarHBondContact O-N 2.83Å
219S74.3Confident83.3Confident38 Ų3851.8 Ų51.827%0.26628%0.275SS..  trans-63.9159.9167.841.20000112.3E215 D217E215-S219 PolarHBondContact N-O 3.29Å; E215-S219 VanDerWaalsContact OE2-CB 3.31Å; E215-S219 WeakPolarHBondContact OE2-CB 3.48Å; E215-S219 PolarHBondContact OE2-OG 3.31Å; D217-S219 VanDerWaalsContact C-N 3.28Å; D217-S219 PolarHBondContact O-N 2.93Å
220S74.4Confident83.1Confident46 Ų4651.6 Ų51.632%0.32227%0.272SS..EExtended strand (participates in β ladder)trans-116.5114.1165.751.60000109.7K168 F169 K213K168-S220 WeakPolarHBondContact CA-O 3.33Å; F169-S220 PolarHBondContact N-O 2.87Å; K213-S220 CarbonylContact O-C 3.59Å; K213-S220 VanDerWaalsContact O-CA 3.3Å; K213-S220 WeakPolarHBondContact O-CA 3.35Å
221S82.1Confident82.7Confident4 Ų457 Ų573%0.02830%0.295CS..EExtended strand (participates in β ladder)trans-87.4160.7168.848.80000110.8K213 E215K213-S221 PolarHBondContact N-O 3.29Å; K213-S221 PolarHBondContact O-N 3.42Å; E215-S221 WeakPolarHBondContact CG-OG 3.44Å; E215-S221 WeakPolarHBondContact OE1-CB 3.45Å; E215-S221 PolarHBondContact OE1-OG 2.6Å
222T85.9Confident81.8Confident0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-84.3121.3-179.1-51.80000109.1L164 Q167 K168 F169 L173 F210L164-T222 HydrophobicContact CD1-CG2 4.33Å; L164-T222 PolarHBondContact N-O 3.04Å; Q167-T222 VanDerWaalsContact O-CB 3.29Å; Q167-T222 WeakPolarHBondContact O-CB 3.32Å; Q167-T222 PolarHBondContact O-N 2.8Å; Q167-T222 PolarHBondContact O-OG1 2.81Å; K168-T222 PolarHBondContact O-OG1 2.92Å; F169-T222 WeakPolarHBondContact CA-OG1 3.49Å; F169-T222 HydrophobicContact CD2-CG2 4.39Å; F169-T222 PolarHBondContact N-OG1 3.15Å; L173-T222 HydrophobicContact CD1-CG2 3.78Å; F210-T222 HydrophobicContact CB-CG2 3.9Å; F210-T222 HydrophobicContact CD1-CG2 3.68Å; F210-T222 HydrophobicContact CG-CG2 4.05Å
223E87.8Confident80.2Confident7 Ų758.7 Ų58.73%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-109.3115171-179.9171.3-15100110.1S161 V162 F210 R211 K213S161-E223 WeakPolarHBondContact CB-OE1 3.43Å; S161-E223 PolarHBondContact OG-OE1 3Å; V162-E223 WeakPolarHBondContact O-CA 3.24Å; F210-E223 CarbonylContact C-O 3.55Å; F210-E223 WeakPolarHBondContact CA-O 3.36Å; R211-E223 HydrophobicContact CG-CB 3.9Å; R211-E223 HydrophobicContact CG-CG 4.23Å; R211-E223 IonicContact CZ-OE1 2.63Å; R211-E223 IonicContact CZ-OE2 2.79Å; R211-E223 VanDerWaalsContact CZ-OE2 3.23Å; R211-E223 PolarHBondContact N-O 3.17Å; R211-E223 VanDerWaalsContact NE-CD 3.34Å; R211-E223 IonicContact NE-OE2 3.09Å; R211-E223 PolarHBondContact NE-OE2 2.92Å; R211-E223 IonicContact NH2-OE1 3.95Å; R211-E223 PolarHBondContact NH2-OE1 2.85Å; R211-E223 IonicContact NH2-OE2 2.71Å; R211-E223 PolarHBondContact NH2-OE2 3.05Å; R211-E223 PolarHBondContact O-N 2.58Å; K213-E223 HydrophobicContact CB-CB 3.92Å; K213-E223 HydrophobicContact CD-CB 4.27Å
224M89.6Confident78.2Confident1 Ų162.2 Ų62.21%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-81.8127.1177.8176.917353.300109.8S161 V162 L164 S188 M192 V207 F210 L226S161-M224 CarbonylContact C-O 3.5Å; S161-M224 WeakPolarHBondContact CA-O 3.46Å; V162-M224 HydrophobicContact CB-CE 4.39Å; V162-M224 PolarHBondContact N-O 2.72Å; V162-M224 PolarHBondContact O-N 3.02Å; L164-M224 HydrophobicContact CD1-CB 4.39Å; L164-M224 HydrophobicContact CD2-CE 4.41Å; S188-M224 WeakPolarHBondContact CB-SD 3.4Å; M192-M224 HydrophobicContact CE-CE 4.15Å; M192-M224 HydrophobicContact CG-CE 4.1Å; M192-M224 HydrophobicContact SD-CE 4.18Å; V207-M224 HydrophobicContact CG1-CG 3.99Å; V207-M224 HydrophobicContact CG1-SD 4.26Å; V207-M224 HydrophobicContact CG2-CG 4.38Å; V207-M224 HydrophobicContact CG2-SD 3.71Å; F210-M224 HydrophobicContact CD1-CB 3.8Å; F210-M224 HydrophobicContact CD1-CG 4.14Å; F210-M224 HydrophobicContact CE1-CB 3.77Å; F210-M224 HydrophobicContact CE1-CG 3.75Å; F210-M224 HydrophobicContact CE1-SD 4.02Å; M224-L226 HydrophobicContact CE-CD2 4.02Å; M224-L226 HydrophobicContact SD-CD2 4.5Å
225Q89.8Confident76.5Confident52 Ų5255.9 Ų55.924%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-96.2139.1167.8-66.1-179.3-87.600109.6L208 G209L208-Q225 HydrophobicContact CB-CB 4.05Å; L208-Q225 HydrophobicContact CD1-CB 4.49Å; L208-Q225 PolarHBondContact N-O 3.09Å; G209-Q225 PolarHBondContact N-O 3.25Å; G209-Q225 PolarHBondContact O-N 3.04Å
226L90.9Very high74.7Confident0 Ų060.3 Ų60.30%033%0.331CS..EExtended strand (participates in β ladder)trans-148.9154.3-179.668.384.4000113E159 L160 V162 M192 I205 H206 M224E159-L226 WeakPolarHBondContact CA-O 3.36Å; E159-L226 WeakPolarHBondContact CG-O 3.45Å; L160-L226 HydrophobicContact CD1-CD1 3.78Å; L160-L226 HydrophobicContact CD1-CD2 3.96Å; L160-L226 HydrophobicContact CD1-CG 3.76Å; L160-L226 HydrophobicContact CD2-CD1 3.92Å; L160-L226 HydrophobicContact CG-CD1 3.58Å; L160-L226 HydrophobicContact CG-CG 3.97Å; L160-L226 PolarHBondContact N-O 3.48Å; L160-L226 PolarHBondContact O-N 2.82Å; V162-L226 HydrophobicContact CG2-CD2 4.36Å; M192-L226 HydrophobicContact CG-CD2 3.92Å; M192-L226 HydrophobicContact SD-CD2 3.48Å; M192-L226 WeakPolarHBondContact SD-CD2 3.29Å; I205-L226 HydrophobicContact CD1-CD1 3.62Å; I205-L226 HydrophobicContact CD1-CD2 4.44Å; I205-L226 HydrophobicContact CG1-CD1 3.89Å; H206-L226 CarbonylContact O-C 3.51Å; H206-L226 VanDerWaalsContact O-CA 3.26Å; H206-L226 WeakPolarHBondContact O-CA 3.36Å; H206-L226 WeakPolarHBondContact O-CB 3.39Å; M224-L226 HydrophobicContact CE-CD2 4.02Å; M224-L226 HydrophobicContact SD-CD2 4.5Å
227T90.4Very high73Confident20 Ų2054.6 Ų54.612%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-118113.6172.6-47.10000110.4R157 V158 I205 H206 L208 I229R157-T227 HydrophobicContact CB-CG2 4.25Å; V158-T227 WeakPolarHBondContact O-CA 3.33Å; I205-T227 WeakPolarHBondContact CA-O 3.46Å; H206-T227 PolarHBondContact N-O 2.65Å; H206-T227 PolarHBondContact O-N 2.75Å; L208-T227 WeakPolarHBondContact CD1-OG1 3.24Å; T227-I229 HydrophobicContact CG2-CG1 4.2Å
228A88.5Confident71.2Confident0 Ų057 Ų570%033%0.327CS..EExtended strand (participates in β ladder)trans-87.2142.4167.900000110.3V158 F196 I205 F230V158-A228 PolarHBondContact N-O 2.79Å; V158-A228 PolarHBondContact O-N 3.41Å; F196-A228 HydrophobicContact CD1-CB 3.79Å; F196-A228 HydrophobicContact CE1-CB 3.49Å; F196-A228 VanDerWaalsContact CE1-CB 3.49Å; F196-A228 HydrophobicContact CZ-CB 4.48Å; I205-A228 HydrophobicContact CD1-CB 4.04Å; I205-A228 HydrophobicContact CG1-CB 4.29Å; A228-F230 HydrophobicContact CB-CD2 4.44Å; A228-F230 HydrophobicContact CB-CE2 3.57Å; A228-F230 HydrophobicContact CB-CZ 4.13Å
229I86.4Confident69.2Low7 Ų759 Ų594%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-129.4127.8-177-58.5-167.8000109.5E155 R157 K203 K204 T227E155-I229 HydrophobicContact CB-CG2 3.89Å; E155-I229 HydrophobicContact CG-CG2 4.08Å; R157-I229 HydrophobicContact CG-CD1 4.18Å; R157-I229 HydrophobicContact CG-CG1 4.13Å; K203-I229 WeakPolarHBondContact CA-O 3.46Å; K203-I229 WeakPolarHBondContact CB-O 3.43Å; K203-I229 PolarHBondContact N-O 2.91Å; K204-I229 HydrophobicContact CG-CB 4.09Å; K204-I229 HydrophobicContact CG-CD1 4.49Å; K204-I229 PolarHBondContact N-O 3.25Å; K204-I229 PolarHBondContact O-N 3.44Å; T227-I229 HydrophobicContact CG2-CG1 4.2Å
230F85.3Confident67.3Low3 Ų363.1 Ų63.11%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-123.5153.6-175.9-59.4-96.3000110.3Q156 V158 F196 L199 G201 F202 A228 R232 L277 I281Q156-F230 HydrophobicContact CB-CB 4.49Å; Q156-F230 PolarHBondContact N-O 3.45Å; Q156-F230 PolarHBondContact O-N 2.71Å; V158-F230 HydrophobicContact CB-CE2 4.47Å; V158-F230 HydrophobicContact CG2-CD2 4.23Å; V158-F230 HydrophobicContact CG2-CE2 4.17Å; F196-F230 AromaticContact CD1-CZ 3.87Å; F196-F230 HydrophobicContact CD1-CZ 3.87Å; F196-F230 HydrophobicContact CE1-CZ 4.21Å; L199-F230 HydrophobicContact CB-CE1 3.98Å; L199-F230 HydrophobicContact CD1-CE1 4.16Å; L199-F230 HydrophobicContact CD1-CZ 4.08Å; G201-F230 CarbonylContact O-C 3.55Å; G201-F230 VanDerWaalsContact O-CA 3.31Å; G201-F230 WeakPolarHBondContact O-CA 3.3Å; F202-F230 HydrophobicContact CB-CD1 4.06Å; F202-F230 HydrophobicContact CB-CE1 3.94Å; F202-F230 HydrophobicContact CD2-CD1 4.39Å; F202-F230 AromaticContact CD2-CE1 3.98Å; F202-F230 HydrophobicContact CD2-CE1 3.98Å; F202-F230 HydrophobicContact CD2-CZ 4.21Å; F202-F230 HydrophobicContact CG-CE1 4.45Å; A228-F230 HydrophobicContact CB-CD2 4.44Å; A228-F230 HydrophobicContact CB-CE2 3.57Å; A228-F230 HydrophobicContact CB-CZ 4.13Å; F230-R232 PolarHBondContact O-N 3.32Å; F230-L277 HydrophobicContact CD1-CD1 3.95Å; F230-L277 HydrophobicContact CD2-CD1 4.37Å; F230-L277 HydrophobicContact CD2-CD2 3.86Å; F230-L277 HydrophobicContact CE1-CD1 3.76Å; F230-L277 HydrophobicContact CE2-CD1 4.17Å; F230-L277 HydrophobicContact CE2-CD2 4.16Å; F230-L277 HydrophobicContact CE2-CG 4.41Å; F230-L277 HydrophobicContact CG-CD1 4.27Å; F230-L277 HydrophobicContact CG-CD2 4.1Å; F230-L277 HydrophobicContact CZ-CD1 3.87Å; F230-I281 HydrophobicContact CE2-CD1 3.93Å; F230-I281 HydrophobicContact CZ-CD1 3.87Å; F230-I281 HydrophobicContact CZ-CG1 4.18Å
231K81.4Confident65.2Low130 Ų13065.4 Ų65.457%0.56538%0.378SS*.EExtended strand (participates in β ladder)trans-72.6120.9169.2-59.8174.6-174.41750108.4G201G201-K231 PolarHBondContact O-N 2.92Å
232R67.7Low63.2Low79 Ų7970.8 Ų70.830%0.29842%0.415SS..  trans-67.7149.2170.1-171.7177.6-77.6159.7-3.2109.4E154 Q156 F230E154-R232 HydrophobicContact CB-CB 4.19Å; E154-R232 VanDerWaalsContact O-CB 3.27Å; E154-R232 WeakPolarHBondContact O-CB 3.4Å; E154-R232 PolarHBondContact O-N 2.97Å; E154-R232 IonicContact OE1-NH1 3.35Å; E154-R232 WeakPolarHBondContact OE2-CD 3.46Å; E154-R232 IonicContact OE2-CZ 3.88Å; E154-R232 IonicContact OE2-NE 3.6Å; E154-R232 IonicContact OE2-NH1 3.49Å; E154-R232 PolarHBondContact OE2-NH1 3.06Å; Q156-R232 HydrophobicContact CB-CB 4.44Å; F230-R232 PolarHBondContact O-N 3.32Å
233H52.9Low60.6Low108 Ų10878.7 Ų78.750%0.546%0.457SS..  trans-109.8123161.4-69.25.6000107A235 Y271H233-A235 PolarHBondContact O-N 3.46Å; H233-Y271 HydrophobicContact CB-CD1 4.45Å; H233-Y271 HydrophobicContact CB-CE1 4.48Å
234S42.5Very low58.2Low118 Ų11885.9 Ų85.983%0.82550%0.495SS*.SBendtrans-79.880.4-164.955.60000112
235A44.3Very low55.6Low60 Ų6094.6 Ų94.650%0.49654%0.541SS..  trans-127.11-179.400000114.9H233 A237 Y271H233-A235 PolarHBondContact O-N 3.46Å; A235-A237 PolarHBondContact O-N 3.29Å; A235-Y271 HydrophobicContact CB-CD1 3.66Å; A235-Y271 HydrophobicContact CB-CE1 3.84Å
236E39.2Very low52.7Low164 Ų16496.1 Ų96.177%0.76656%0.557SS**  trans-96.265.5178.1-69.8-174.2143.300112
237A39.3Very low49.8Very low92 Ų92105 Ų10576%0.7660%0.596SS**SBendtrans-130.832175.100000113.2A235A235-A237 PolarHBondContact O-N 3.29Å
238K32.5Very low46.9Very low197 Ų197111.2 Ų111.286%0.85763%0.629SS**  trans-175.1107.1162.2-101.3145.9-176.8174.60109.3
239S29.2Very low44.3Very low114 Ų114115.8 Ų115.880%0.79766%0.66SS**PPolyproline II helixtrans-77.5128.8156.944.80000109
240P33.6Very low41.5Very low123 Ų123123.3 Ų123.380%0.79970%0.701SS**PPolyproline II helixtrans-64.9138.2150.7-11.628.5000107.7
241A30.3Very low39Very low95 Ų95133.2 Ų133.279%0.78574%0.744SS**PPolyproline II helixtrans-67.3160.5169.500000110.5D243A241-D243 PolarHBondContact O-N 3.35Å
242S40.9Very low36.6Very low116 Ų116133.8 Ų133.881%0.81175%0.752SS**  trans-42.8133.4175.2-41.90000113.2
243D30.2Very low35.1Very low167 Ų167138.8 Ų138.889%0.89378%0.778SS**  trans-139.5138.2148.3-127.3-27.2000110.4A241A241-D243 PolarHBondContact O-N 3.35Å
244L38.4Very low33.9Very low157 Ų157139.3 Ų139.382%0.82279%0.794SS**  trans-104123.2-172.8-68.6164.6000109.6
245L33.6Very low33.6Very low185 Ų185142.4 Ų142.497%0.96980%0.796SS**  trans-146.4158.8148.1-82.4-169.2000110.8
246S29.3Very low32.9Very low83 Ų83149.1 Ų149.158%0.5882%0.817SS**  trans-142.7160.7-167.3-178.20000110.7
247F29.4Very low32.6Very low186 Ų186146.3 Ų146.382%0.81681%0.81SS**  trans71.6154176.6-44.3-70.8000114.2
248D29.2Very low32Very low152 Ų152153 Ų15381%0.81382%0.817SS**  cis-147.2173.49.7-141-27.9000112.8
249S34.5Very low31.8Very low95 Ų95152.2 Ų152.266%0.66482%0.817SS**  trans-93.5166.4-174-71.50000115.4
250N29Very low31.6Very low166 Ų166150 Ų15089%0.88881%0.811SS**  trans75116.6162.2-56.5-28.5000119.5
251K32.3Very low31.3Very low211 Ų211150.6 Ų150.692%0.91781%0.813SS**  -147.1152.8127.3-158167.4179.8-174.40112.3
252I30.1Very low31.2Very low142 Ų142153.3 Ų153.373%0.72881%0.811SS**  trans-83.6155.2-168.8-68.3157.3000112.9
253E36.1Very low30.9Very low184 Ų184156.9 Ų156.986%0.8682%0.815SS**  trans-6.5139.3163.2-56.7164.8140.300119.9
254S29.1Very low31Very low119 Ų119156.8 Ų156.883%0.83281%0.809SS**  trans-151.5112.5133.559.50000109.5
255E36.2Very low30.5Very low183 Ų183155.3 Ų155.386%0.85580%0.802SS**  trans-71.1134.9165-71.8-168122.800110.1
256E29.4Very low30.4Very low201 Ų201156.1 Ų156.194%0.93980%0.798SS**  trans-152.8135.4141.6-126.6174.5-156.600109.3
257V31.7Very low30.3Very low104 Ų104159.9 Ų159.963%0.6381%0.807SS**  trans-110131.2-162.6173.30000111.6
258Y27.1Very low30.4Very low232 Ų232155.8 Ų155.891%0.9180%0.798SS**  trans-141.3152.3150.4-92.2-72.4000112.4
259H27.9Very low30.7Very low182 Ų182155.4 Ų155.484%0.84379%0.792SS**  trans-78.7134.9-163.7-81.5-100.4000115.1
260G25Very low31.1Very low66 Ų66156.4 Ų156.468%0.6879%0.789SS**  95.8102.4103.800000119
261T27.4Very low32.1Very low136 Ų136155.3 Ų155.383%0.83477%0.773SS**  trans-153.6135.6132.1-68.50000106.2
262M28.9Very low33.5Very low153 Ų153147.6 Ų147.675%0.75474%0.742SS**  trans-86.9112.6175.7-71.5-168.468.600109.8E264M262-E264 HydrophobicContact CE-CG 4.38Å
263E34.1Very low35.3Very low191 Ų191143.5 Ų143.589%0.89372%0.723SS**  trans-89.299.1159.6-70-155.514500109.1
264E31.6Very low36.9Very low164 Ų164135.6 Ų135.677%0.76669%0.689SS**  trans-124.6138.2157.8-75.1-176.9132.900107M262M262-E264 HydrophobicContact CE-CG 4.38Å
265D29.4Very low39Very low127 Ų127134.4 Ų134.468%0.67968%0.677SS**  cis-138.6111.4-8.9176.611.4000108.2Q267D265-Q267 PolarHBondContact OD1-N 2.95Å
266K30.3Very low40.9Very low202 Ų202127.8 Ų127.888%0.87865%0.648SS**  trans-10593.3162.9-84.1-170.2176.5-179.40107.9
267Q27Very low43.2Very low162 Ų162118.5 Ų118.576%0.75760%0.604SS**  trans-50.3125.1166-62.5-168.7-69.700109D265 E269D265-Q267 PolarHBondContact OD1-N 2.95Å; Q267-E269 PolarHBondContact O-N 2.98Å
268P32.1Very low45.6Very low99 Ų99115.3 Ų115.364%0.64358%0.582SS**  trans-62.1139.7175.424.5-32.2000109.4I270P268-I270 HydrophobicContact CB-CG1 4.33Å; P268-I270 HydrophobicContact CG-CD1 4.22Å; P268-I270 HydrophobicContact CG-CG1 4.09Å; P268-I270 PolarHBondContact O-N 3.46Å
269E36.6Very low48.1Very low144 Ų144111.3 Ų111.367%0.67357%0.565SS**  trans-75.476.3178.3-165.5168-137.500109.3Q267 Y271Q267-E269 PolarHBondContact O-N 2.98Å; E269-Y271 VanDerWaalsContact O-CD2 3.25Å; E269-Y271 WeakPolarHBondContact O-CD2 3.33Å; E269-Y271 PolarHBondContact O-N 3.11Å; E269-Y271 VanDerWaalsContact O-N 3.09Å
270I42.8Very low50.7Low117 Ų117105.6 Ų105.660%0.654%0.54SS*.  trans-70.1105.9-176.3-61.3170.4000108.9P268 L272P268-I270 HydrophobicContact CB-CG1 4.33Å; P268-I270 HydrophobicContact CG-CD1 4.22Å; P268-I270 HydrophobicContact CG-CG1 4.09Å; P268-I270 PolarHBondContact O-N 3.46Å; I270-L272 HydrophobicContact CG2-CD2 3.76Å; I270-L272 HydrophobicContact CG2-CG 4.13Å; I270-L272 PolarHBondContact O-N 3.13Å
271Y50Low53.6Low143 Ų143102.4 Ų102.456%0.56151%0.508SS*.  trans-6597.7165.1-67.1-94.7000109H233 A235 E269 T273H233-Y271 HydrophobicContact CB-CD1 4.45Å; H233-Y271 HydrophobicContact CB-CE1 4.48Å; A235-Y271 HydrophobicContact CB-CD1 3.66Å; A235-Y271 HydrophobicContact CB-CE1 3.84Å; E269-Y271 VanDerWaalsContact O-CD2 3.25Å; E269-Y271 WeakPolarHBondContact O-CD2 3.33Å; E269-Y271 PolarHBondContact O-N 3.11Å; E269-Y271 VanDerWaalsContact O-N 3.09Å; Y271-T273 PolarHBondContact O-N 3.11Å
272L60.4Low56.2Low49 Ų4997.2 Ų97.226%0.25748%0.477SS..  trans-77.2120-179.1-70.5169.8000110.9P200 I270 D276 L280P200-L272 HydrophobicContact CG-CD1 3.53Å; I270-L272 HydrophobicContact CG2-CD2 3.76Å; I270-L272 HydrophobicContact CG2-CG 4.13Å; I270-L272 PolarHBondContact O-N 3.13Å; L272-D276 HydrophobicContact CD2-CB 3.75Å; L272-L280 HydrophobicContact CD1-CD1 3.64Å; L272-L280 HydrophobicContact CD2-CD1 3.63Å; L272-L280 HydrophobicContact CG-CD1 4.32Å
273T69Low58.8Low56 Ų5695.1 Ų95.134%0.34446%0.464SS..  trans-66.6162.3165.574.30000110Y271 T275 D276 L277Y271-T273 PolarHBondContact O-N 3.11Å; T273-T275 PolarHBondContact O-N 3.41Å; T273-T275 VanDerWaalsContact O-N 3.16Å; T273-T275 PolarHBondContact OG1-N 3.26Å; T273-D276 WeakPolarHBondContact CB-OD2 3.2Å; T273-D276 WeakPolarHBondContact CG2-OD2 3.39Å; T273-D276 PolarHBondContact N-OD2 3.39Å; T273-D276 PolarHBondContact O-N 2.67Å; T273-D276 VanDerWaalsContact O-N 3.13Å; T273-D276 VanDerWaalsContact OG1-CG 3.28Å; T273-D276 PolarHBondContact OG1-N 2.73Å; T273-D276 VanDerWaalsContact OG1-N 3.15Å; T273-D276 PolarHBondContact OG1-OD2 2.97Å; T273-L277 WeakPolarHBondContact O-CB 3.26Å; T273-L277 PolarHBondContact O-N 3.16Å
274A68.3Low61.1Low18 Ų1886.5 Ų86.515%0.14943%0.425CS..Hα-helixtrans-57.9-28.1173.500000113.2K278 I302A274-K278 WeakPolarHBondContact O-CG 3.13Å; A274-K278 PolarHBondContact O-N 3.21Å; A274-K278 VanDerWaalsContact O-N 3.09Å; A274-I302 HydrophobicContact CB-CD1 3.4Å
275T73.5Confident63.5Low94 Ų9478.7 Ų78.758%0.57739%0.389SS*.Hα-helixtrans-73.6-41.4176.2-540000111.8T273 K278 R279T273-T275 PolarHBondContact O-N 3.41Å; T273-T275 VanDerWaalsContact O-N 3.16Å; T273-T275 PolarHBondContact OG1-N 3.26Å; T275-K278 PolarHBondContact O-N 2.98Å; T275-R279 PolarHBondContact O-N 2.93Å
276D76.5Confident65.7Low44 Ų4479.4 Ų79.424%0.23539%0.388CS..Hα-helixtrans-69.2-37.6176.6-56.7-55.5000111.2L272 T273 R279 L280L272-D276 HydrophobicContact CD2-CB 3.75Å; T273-D276 WeakPolarHBondContact CB-OD2 3.2Å; T273-D276 WeakPolarHBondContact CG2-OD2 3.39Å; T273-D276 PolarHBondContact N-OD2 3.39Å; T273-D276 PolarHBondContact O-N 2.67Å; T273-D276 VanDerWaalsContact O-N 3.13Å; T273-D276 VanDerWaalsContact OG1-CG 3.28Å; T273-D276 PolarHBondContact OG1-N 2.73Å; T273-D276 VanDerWaalsContact OG1-N 3.15Å; T273-D276 PolarHBondContact OG1-OD2 2.97Å; D276-R279 PolarHBondContact O-N 3.47Å; D276-R279 IonicContact OD1-CZ 3.06Å; D276-R279 IonicContact OD1-NH1 3.38Å; D276-R279 PolarHBondContact OD1-NH1 2.86Å; D276-R279 IonicContact OD1-NH2 2.69Å; D276-R279 PolarHBondContact OD1-NH2 2.97Å; D276-R279 VanDerWaalsContact OD1-NH2 3.16Å; D276-L280 WeakPolarHBondContact O-CG 3.36Å; D276-L280 PolarHBondContact O-N 3.44Å
277L78.3Confident67.7Low5 Ų575.7 Ų75.73%0.02637%0.374CS..Hα-helixtrans-60.7-45172.6-176.559.9000111.7Q156 V158 F230 T273 L280 I281Q156-L277 HydrophobicContact CG-CD2 4.33Å; V158-L277 HydrophobicContact CG2-CD2 3.76Å; V158-L277 HydrophobicContact CG2-CG 4.41Å; F230-L277 HydrophobicContact CD1-CD1 3.95Å; F230-L277 HydrophobicContact CD2-CD1 4.37Å; F230-L277 HydrophobicContact CD2-CD2 3.86Å; F230-L277 HydrophobicContact CE1-CD1 3.76Å; F230-L277 HydrophobicContact CE2-CD1 4.17Å; F230-L277 HydrophobicContact CE2-CD2 4.16Å; F230-L277 HydrophobicContact CE2-CG 4.41Å; F230-L277 HydrophobicContact CG-CD1 4.27Å; F230-L277 HydrophobicContact CG-CD2 4.1Å; F230-L277 HydrophobicContact CZ-CD1 3.87Å; T273-L277 WeakPolarHBondContact O-CB 3.26Å; T273-L277 PolarHBondContact O-N 3.16Å; L277-L280 PolarHBondContact O-N 3.36Å; L277-I281 HydrophobicContact CD1-CD1 4.31Å; L277-I281 HydrophobicContact CG-CD1 4.05Å; L277-I281 WeakPolarHBondContact O-CD1 3.37Å; L277-I281 VanDerWaalsContact O-CG1 3.24Å; L277-I281 WeakPolarHBondContact O-CG1 3.17Å; L277-I281 PolarHBondContact O-N 3.25Å
278K81.4Confident69.7Low37 Ų3769 Ų6916%0.16134%0.342CS..Hα-helixtrans-59.8-44.7172.8-75.9175.8177.3172.70111.9A274 T275 L280 I281 S282 F298 D300A274-K278 WeakPolarHBondContact O-CG 3.13Å; A274-K278 PolarHBondContact O-N 3.21Å; A274-K278 VanDerWaalsContact O-N 3.09Å; T275-K278 PolarHBondContact O-N 2.98Å; K278-L280 PolarHBondContact O-N 2.9Å; K278-I281 PolarHBondContact O-N 2.94Å; K278-S282 PolarHBondContact O-N 2.81Å; K278-F298 HydrophobicContact CB-CD1 4.46Å; K278-F298 HydrophobicContact CB-CD2 4.4Å; K278-F298 HydrophobicContact CB-CE1 4.15Å; K278-F298 HydrophobicContact CB-CE2 4.09Å; K278-F298 HydrophobicContact CB-CZ 3.95Å; K278-F298 HydrophobicContact CD-CB 4.18Å; K278-F298 HydrophobicContact CD-CD1 4.18Å; K278-F298 HydrophobicContact CD-CD2 4.3Å; K278-F298 HydrophobicContact CD-CG 3.97Å; K278-F298 HydrophobicContact CG-CD1 3.76Å; K278-F298 HydrophobicContact CG-CD2 4.29Å; K278-F298 HydrophobicContact CG-CE1 3.84Å; K278-F298 HydrophobicContact CG-CE2 4.36Å; K278-F298 HydrophobicContact CG-CG 4Å; K278-F298 HydrophobicContact CG-CZ 4.14Å; K278-F298 WeakPolarHBondContact O-CZ 3.42Å; K278-D300 IonicContact NZ-OD1 2.91Å; K278-D300 PolarHBondContact NZ-OD1 3.25Å
279R80.1Confident70.9Confident149 Ų14973.9 Ų73.956%0.56236%0.356SS*.Hα-helixtrans-60.2-42.8177.1-164-170.5-55.6111.76.7112.3T275 D276 K283T275-R279 PolarHBondContact O-N 2.93Å; D276-R279 PolarHBondContact O-N 3.47Å; D276-R279 IonicContact OD1-CZ 3.06Å; D276-R279 IonicContact OD1-NH1 3.38Å; D276-R279 PolarHBondContact OD1-NH1 2.86Å; D276-R279 IonicContact OD1-NH2 2.69Å; D276-R279 PolarHBondContact OD1-NH2 2.97Å; D276-R279 VanDerWaalsContact OD1-NH2 3.16Å; R279-K283 WeakPolarHBondContact O-CB 3.17Å; R279-K283 PolarHBondContact O-N 3.24Å
280L83.3Confident71.8Confident61 Ų6169.7 Ų69.732%0.31934%0.343SS..Hα-helixtrans-66-38.3176.1-72.5176.1000112.3L199 P200 L272 D276 L277 K278 A284L199-L280 HydrophobicContact CD2-CB 3.99Å; P200-L280 HydrophobicContact CG-CD1 4.5Å; L272-L280 HydrophobicContact CD1-CD1 3.64Å; L272-L280 HydrophobicContact CD2-CD1 3.63Å; L272-L280 HydrophobicContact CG-CD1 4.32Å; D276-L280 WeakPolarHBondContact O-CG 3.36Å; D276-L280 PolarHBondContact O-N 3.44Å; L277-L280 PolarHBondContact O-N 3.36Å; K278-L280 PolarHBondContact O-N 2.9Å; L280-A284 VanDerWaalsContact O-CB 3.29Å; L280-A284 WeakPolarHBondContact O-CB 3.15Å; L280-A284 PolarHBondContact O-N 2.86Å
281I84.5Confident72.6Confident0 Ų065.5 Ų65.50%032%0.322CS..Hα-helixtrans-64.7-47.2176.2-69.9163000111.2V158 L160 F196 L199 F230 L277 K278 A284 L285 F298V158-I281 HydrophobicContact CB-CD1 4.38Å; V158-I281 HydrophobicContact CG1-CD1 4.01Å; V158-I281 HydrophobicContact CG2-CD1 4.43Å; L160-I281 HydrophobicContact CD2-CG2 3.66Å; F196-I281 HydrophobicContact CE1-CB 4.49Å; F196-I281 HydrophobicContact CE1-CD1 4.13Å; F196-I281 HydrophobicContact CE1-CG1 3.86Å; F196-I281 HydrophobicContact CE1-CG2 3.86Å; F196-I281 HydrophobicContact CE2-CG2 4.49Å; F196-I281 HydrophobicContact CZ-CG1 4.39Å; F196-I281 HydrophobicContact CZ-CG2 3.53Å; L199-I281 HydrophobicContact CD1-CB 4.48Å; L199-I281 HydrophobicContact CD1-CG1 3.61Å; F230-I281 HydrophobicContact CE2-CD1 3.93Å; F230-I281 HydrophobicContact CZ-CD1 3.87Å; F230-I281 HydrophobicContact CZ-CG1 4.18Å; L277-I281 HydrophobicContact CD1-CD1 4.31Å; L277-I281 HydrophobicContact CG-CD1 4.05Å; L277-I281 WeakPolarHBondContact O-CD1 3.37Å; L277-I281 VanDerWaalsContact O-CG1 3.24Å; L277-I281 WeakPolarHBondContact O-CG1 3.17Å; L277-I281 PolarHBondContact O-N 3.25Å; K278-I281 PolarHBondContact O-N 2.94Å; I281-A284 PolarHBondContact O-N 3.28Å; I281-L285 HydrophobicContact CG2-CD1 3.94Å; I281-L285 WeakPolarHBondContact O-CG 3.03Å; I281-L285 PolarHBondContact O-N 2.82Å; I281-L285 VanDerWaalsContact O-N 3.11Å; I281-F298 HydrophobicContact CB-CE1 4.23Å; I281-F298 HydrophobicContact CB-CZ 4.18Å; I281-F298 HydrophobicContact CD1-CE1 4.44Å; I281-F298 HydrophobicContact CG2-CE1 3.92Å; I281-F298 HydrophobicContact CG2-CZ 4Å
282S83.3Confident73Confident26 Ų2662.1 Ų62.118%0.18231%0.313CS..Hα-helixtrans-56.3-52.9174.3-73.60000111.3K278 A284 L285 E286 F298K278-S282 PolarHBondContact O-N 2.81Å; S282-A284 VanDerWaalsContact C-N 3.34Å; S282-A284 PolarHBondContact O-N 3.22Å; S282-L285 PolarHBondContact O-N 3.02Å; S282-L285 VanDerWaalsContact O-N 3.08Å; S282-E286 WeakPolarHBondContact O-CG 3.33Å; S282-E286 PolarHBondContact O-N 2.65Å; S282-F298 WeakPolarHBondContact OG-CE2 3.34Å
283K81.8Confident73Confident110 Ų11061.5 Ų61.548%0.47831%0.312SS..Hα-helixtrans-57.4-44.9179.8-178.2175.7174.5179.30112.5R279 L285 E286 E287R279-K283 WeakPolarHBondContact O-CB 3.17Å; R279-K283 PolarHBondContact O-N 3.24Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 2.86Å; K283-E286 PolarHBondContact O-N 3.28Å; K283-E287 WeakPolarHBondContact CE-OE1 3.43Å; K283-E287 WeakPolarHBondContact CE-OE2 3.25Å; K283-E287 HydrophobicContact CG-CG 4.31Å; K283-E287 IonicContact NZ-OE1 2.87Å; K283-E287 PolarHBondContact NZ-OE1 3.13Å; K283-E287 WeakPolarHBondContact O-CG 3.43Å; K283-E287 PolarHBondContact O-N 2.99Å
284A82.6Confident72.7Confident9 Ų960.2 Ų60.27%0.07431%0.309CS..Hα-helixtrans-67.5-24.7-179.900000113.5I195 L199 L280 I281 S282 E288I195-A284 HydrophobicContact CG2-CB 3.99Å; I195-A284 WeakPolarHBondContact CG2-O 3.48Å; L199-A284 HydrophobicContact CD2-CB 3.96Å; L199-A284 HydrophobicContact CG-CB 4.47Å; L280-A284 VanDerWaalsContact O-CB 3.29Å; L280-A284 WeakPolarHBondContact O-CB 3.15Å; L280-A284 PolarHBondContact O-N 2.86Å; I281-A284 PolarHBondContact O-N 3.28Å; S282-A284 VanDerWaalsContact C-N 3.34Å; S282-A284 PolarHBondContact O-N 3.22Å; A284-E288 WeakPolarHBondContact O-CG 3.37Å
285L82.1Confident72.9Confident1 Ų163 Ų631%0.00533%0.325CS..Hα-helixtrans-82.7-34.2173-74.5168.3000112.5V162 M192 I195 F196 I281 S282 K283 I296V162-L285 HydrophobicContact CG2-CD1 4.46Å; M192-L285 HydrophobicContact CE-CD2 3.54Å; M192-L285 HydrophobicContact SD-CD2 3.99Å; I195-L285 HydrophobicContact CD1-CD2 4.14Å; I195-L285 HydrophobicContact CG2-CD2 4.4Å; F196-L285 HydrophobicContact CE2-CD1 4.37Å; F196-L285 HydrophobicContact CE2-CD2 4.17Å; F196-L285 HydrophobicContact CE2-CG 4.31Å; F196-L285 HydrophobicContact CZ-CD1 4.42Å; I281-L285 HydrophobicContact CG2-CD1 3.94Å; I281-L285 WeakPolarHBondContact O-CG 3.03Å; I281-L285 PolarHBondContact O-N 2.82Å; I281-L285 VanDerWaalsContact O-N 3.11Å; S282-L285 PolarHBondContact O-N 3.02Å; S282-L285 VanDerWaalsContact O-N 3.08Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 2.86Å; L285-I296 HydrophobicContact CB-CD1 3.66Å; L285-I296 HydrophobicContact CD1-CD1 3.77Å; L285-I296 HydrophobicContact CD1-CG1 4.28Å; L285-I296 HydrophobicContact CG-CD1 4.37Å
286E76.2Confident73.2Confident142 Ų14260 Ų6066%0.66431%0.305SS*.Hα-helixtrans-73.1-32.5177.5-71.8162.6-159.200113S282 K283 E288S282-E286 WeakPolarHBondContact O-CG 3.33Å; S282-E286 PolarHBondContact O-N 2.65Å; K283-E286 PolarHBondContact O-N 3.28Å; E286-E288 VanDerWaalsContact C-N 3.29Å; E286-E288 PolarHBondContact O-N 3.23Å
287E73Confident73.2Confident124 Ų12462.4 Ų62.458%0.57932%0.315SS*.THydrogen-bonded Turntrans-77.6-6.9178.9-72.6-178.8151.400114.2K283K283-E287 WeakPolarHBondContact CE-OE1 3.43Å; K283-E287 WeakPolarHBondContact CE-OE2 3.25Å; K283-E287 HydrophobicContact CG-CG 4.31Å; K283-E287 IonicContact NZ-OE1 2.87Å; K283-E287 PolarHBondContact NZ-OE1 3.13Å; K283-E287 WeakPolarHBondContact O-CG 3.43Å; K283-E287 PolarHBondContact O-N 2.99Å
288E68.4Low73.4Confident22 Ų2264.6 Ų64.610%0.10332%0.324CS..  trans-103.188.2-170.7-84.9-86.4177.500113.5I195 K198 A284 E286 S290 L291I195-E288 HydrophobicContact CD1-CB 3.73Å; I195-E288 HydrophobicContact CD1-CG 3.81Å; I195-E288 HydrophobicContact CG1-CB 4.26Å; I195-E288 HydrophobicContact CG1-CG 3.76Å; I195-E288 HydrophobicContact CG2-CG 4.33Å; K198-E288 IonicContact NZ-OE1 2.65Å; K198-E288 PolarHBondContact NZ-OE1 2.75Å; A284-E288 WeakPolarHBondContact O-CG 3.37Å; E286-E288 VanDerWaalsContact C-N 3.29Å; E286-E288 PolarHBondContact O-N 3.23Å; E288-S290 PolarHBondContact O-N 2.92Å; E288-S290 PolarHBondContact OE2-OG 3.32Å; E288-L291 PolarHBondContact O-N 2.87Å
289Q56.8Low72.8Confident200 Ų20065.9 Ų65.994%0.93534%0.335SS*.THydrogen-bonded Turntrans-54.8-4.6172.8-58.8176.82.600115.3L291Q289-L291 VanDerWaalsContact C-N 3.35Å
290S56.3Low71.3Confident56 Ų5665 Ų6539%0.39234%0.342SS..THydrogen-bonded Turntrans-86.5-2.6-179.870.40000114.2Q191 E288Q191-S290 PolarHBondContact NE2-O 3.04Å; Q191-S290 VanDerWaalsContact NE2-O 3.1Å; E288-S290 PolarHBondContact O-N 2.92Å; E288-S290 PolarHBondContact OE2-OG 3.32Å
291L58.6Low69.4Low30 Ų3070 Ų7016%0.15736%0.363CS..SBendtrans-135.8141.7173.9-75.7172.7000110.5Q191 M192 I195 E288 Q289 V293Q191-L291 HydrophobicContact CB-CD1 4.26Å; Q191-L291 HydrophobicContact CB-CD2 4.3Å; Q191-L291 HydrophobicContact CB-CG 4.47Å; Q191-L291 VanDerWaalsContact NE2-CD2 3.27Å; M192-L291 HydrophobicContact CE-CD1 3.2Å; I195-L291 HydrophobicContact CD1-CD1 3.72Å; E288-L291 PolarHBondContact O-N 2.87Å; Q289-L291 VanDerWaalsContact C-N 3.35Å; L291-V293 HydrophobicContact CB-CG2 3.62Å; L291-V293 PolarHBondContact O-N 2.69Å
292D58.2Low67.3Low71 Ų7174.6 Ų74.638%0.3839%0.387SS..  trans-85.870.7174.3-17341.5000110.3V165 N166 G294V165-D292 VanDerWaalsContact CB-OD2 3.29Å; V165-D292 WeakPolarHBondContact CB-OD2 3.35Å; V165-D292 PolarHBondContact N-O 3.03Å; N166-D292 HydrophobicContact CB-CB 4.5Å; N166-D292 WeakPolarHBondContact CB-OD2 3.48Å; N166-D292 VanDerWaalsContact CG-OD2 3.23Å; N166-D292 PolarHBondContact N-OD2 2.91Å; N166-D292 VanDerWaalsContact ND2-CG 3.29Å; N166-D292 PolarHBondContact ND2-OD2 3.06Å; D292-G294 PolarHBondContact O-N 3.14Å
293V61Low65Low37 Ų3778.2 Ų78.222%0.22442%0.418CS..EExtended strand (participates in β ladder)trans-76.9113-174.3177.80000110.2V162 L291 I296V162-V293 HydrophobicContact CG1-CG1 4.01Å; L291-V293 HydrophobicContact CB-CG2 3.62Å; L291-V293 PolarHBondContact O-N 2.69Å; V293-I296 HydrophobicContact CG1-CD1 4.13Å; V293-I296 HydrophobicContact CG1-CG1 3.99Å
294G63.7Low62.6Low28 Ų2875.6 Ų75.629%0.28942%0.422SS..EExtended strand (participates in β ladder)trans-86-135.3169.600000112.5S163 D292 I296S163-G294 WeakPolarHBondContact O-CA 3.15Å; S163-G294 PolarHBondContact O-N 3.3Å; D292-G294 PolarHBondContact O-N 3.14Å; G294-I296 PolarHBondContact O-N 2.88Å
295T71.6Confident59.9Low78 Ų7880.8 Ų80.848%0.47946%0.458SS..EExtended strand (participates in β ladder)trans-64.8132.2175.7-25.10000111.5S163 K213 Q297S163-T295 PolarHBondContact N-O 2.63Å; S163-T295 VanDerWaalsContact N-O 3.09Å; S163-T295 PolarHBondContact OG-N 3.26Å; S163-T295 PolarHBondContact OG-O 2.79Å; K213-T295 VanDerWaalsContact NZ-CB 3.32Å; K213-T295 PolarHBondContact NZ-OG1 3.43Å; T295-Q297 HydrophobicContact CG2-CG 4.49Å
296I78.8Confident57.2Low31 Ų3189.1 Ų89.116%0.15950%0.502CS..EExtended strand (participates in β ladder)trans-96.8137.7164.2-55.6164.9000108L160 S161 L285 V293 G294 F298L160-I296 HydrophobicContact CD1-CG2 4.43Å; S161-I296 WeakPolarHBondContact O-CA 3.27Å; L285-I296 HydrophobicContact CB-CD1 3.66Å; L285-I296 HydrophobicContact CD1-CD1 3.77Å; L285-I296 HydrophobicContact CD1-CG1 4.28Å; L285-I296 HydrophobicContact CG-CD1 4.37Å; V293-I296 HydrophobicContact CG1-CD1 4.13Å; V293-I296 HydrophobicContact CG1-CG1 3.99Å; G294-I296 PolarHBondContact O-N 2.88Å; I296-F298 HydrophobicContact CG2-CE2 4.17Å; I296-F298 HydrophobicContact CG2-CZ 4.22Å
297Q78.3Confident54.9Low94 Ų9487.3 Ų87.344%0.43950%0.502SS..EExtended strand (participates in β ladder)trans-130.5141.9170.4-59.1-176.5-15.700109.5L160 S161 T295L160-Q297 CarbonylContact C-O 3.6Å; L160-Q297 WeakPolarHBondContact CA-O 3.07Å; L160-Q297 WeakPolarHBondContact CB-O 3.01Å; S161-Q297 PolarHBondContact N-O 3.14Å; S161-Q297 PolarHBondContact O-N 2.86Å; T295-Q297 HydrophobicContact CG2-CG 4.49Å
298F80.8Confident52.7Low51 Ų5186.2 Ų86.222%0.22451%0.514CS..EExtended strand (participates in β ladder)trans-106.4142.6173.5-64.2-84.2000110.2V158 L160 K278 I281 S282 I296V158-F298 HydrophobicContact CG1-CD1 3.94Å; V158-F298 HydrophobicContact CG1-CE1 4.17Å; L160-F298 HydrophobicContact CB-CD1 3.68Å; L160-F298 HydrophobicContact CB-CE1 4.03Å; L160-F298 HydrophobicContact CB-CG 4.38Å; L160-F298 HydrophobicContact CD2-CD1 4.15Å; L160-F298 HydrophobicContact CD2-CE1 3.71Å; K278-F298 HydrophobicContact CB-CD1 4.46Å; K278-F298 HydrophobicContact CB-CD2 4.4Å; K278-F298 HydrophobicContact CB-CE1 4.15Å; K278-F298 HydrophobicContact CB-CE2 4.09Å; K278-F298 HydrophobicContact CB-CZ 3.95Å; K278-F298 HydrophobicContact CD-CB 4.18Å; K278-F298 HydrophobicContact CD-CD1 4.18Å; K278-F298 HydrophobicContact CD-CD2 4.3Å; K278-F298 HydrophobicContact CD-CG 3.97Å; K278-F298 HydrophobicContact CG-CD1 3.76Å; K278-F298 HydrophobicContact CG-CD2 4.29Å; K278-F298 HydrophobicContact CG-CE1 3.84Å; K278-F298 HydrophobicContact CG-CE2 4.36Å; K278-F298 HydrophobicContact CG-CG 4Å; K278-F298 HydrophobicContact CG-CZ 4.14Å; K278-F298 WeakPolarHBondContact O-CZ 3.42Å; I281-F298 HydrophobicContact CB-CE1 4.23Å; I281-F298 HydrophobicContact CB-CZ 4.18Å; I281-F298 HydrophobicContact CD1-CE1 4.44Å; I281-F298 HydrophobicContact CG2-CE1 3.92Å; I281-F298 HydrophobicContact CG2-CZ 4Å; S282-F298 WeakPolarHBondContact OG-CE2 3.34Å; I296-F298 HydrophobicContact CG2-CE2 4.17Å; I296-F298 HydrophobicContact CG2-CZ 4.22Å
299T69.9Low50.7Low63 Ų6394.5 Ų94.539%0.38755%0.55SS.*  trans-83.9121.2169.1-49.20000108.4E159 E301E159-T299 PolarHBondContact O-N 2.04Å; E159-T299 VanDerWaalsContact O-N 3.1Å; E159-T299 PolarHBondContact OE1-OG1 2.83Å; T299-E301 PolarHBondContact O-N 2.84Å
300D48.2Very low49.2Very low132 Ų13288.1 Ų88.171%0.70654%0.539SS*.  trans-83.444.1-176.2-81.4-17.6000113.6K278K278-D300 IonicContact NZ-OD1 2.91Å; K278-D300 PolarHBondContact NZ-OD1 3.25Å
301E43.2Very low48.3Very low166 Ų16690.9 Ų90.978%0.77656%0.555SS**  trans-117.893.9169.1-70.4-161.2154.700111.2T299 A303T299-E301 PolarHBondContact O-N 2.84Å; E301-A303 PolarHBondContact O-N 3.22Å
302I41.2Very low46.7Very low95 Ų9596.4 Ų96.449%0.48759%0.585SS.*  trans-79.198161.9-56.3171.4000106.3A274 G304A274-I302 HydrophobicContact CB-CD1 3.4Å; I302-G304 VanDerWaalsContact C-N 3.31Å; I302-G304 PolarHBondContact O-N 3.14Å
303A34.9Very low45.1Very low103 Ų10398.2 Ų98.285%0.85160%0.599SS**  trans-6584.7-177.900000112.4E301E301-A303 PolarHBondContact O-N 3.22Å
304G30.3Very low43.4Very low54 Ų54105 Ų10556%0.55763%0.628SS**  trans-106.5127.6169.300000110.8I302I302-G304 VanDerWaalsContact C-N 3.31Å; I302-G304 PolarHBondContact O-N 3.14Å
305S26.8Very low41.6Very low118 Ų118109 Ų10983%0.82565%0.652SS**  trans56.6100.1166.7-57.10000117.2P307S305-P307 VanDerWaalsContact O-CD 3.3Å; S305-P307 WeakPolarHBondContact O-CD 3.04Å
306L25Very low39.2Very low176 Ų176114.3 Ų114.392%0.92167%0.671SS**PPolyproline II helixtrans-57.1123.3158.3-77.6165.9000110.3A308L306-A308 PolarHBondContact O-N 3.28Å
307P28.7Very low36.8Very low104 Ų104120.3 Ų120.368%0.67570%0.702SS**PPolyproline II helixtrans-76.1118.5166.7-10.227.7000109.1S305 F309S305-P307 VanDerWaalsContact O-CD 3.3Å; S305-P307 WeakPolarHBondContact O-CD 3.04Å; P307-F309 HydrophobicContact CB-CD2 4.25Å; P307-F309 HydrophobicContact CB-CE2 4.14Å; P307-F309 PolarHBondContact O-N 3.24Å
308A26.4Very low34.5Very low101 Ų101120.8 Ų120.884%0.83571%0.713SS**PPolyproline II helixtrans-75.1124.9171.700000110.2L306L306-A308 PolarHBondContact O-N 3.28Å
309F26.3Very low31.6Very low196 Ų196123.9 Ų123.986%0.8674%0.737SS**  trans-126.9129.5168-85.8-83.1000110.7P307P307-F309 HydrophobicContact CB-CD2 4.25Å; P307-F309 HydrophobicContact CB-CE2 4.14Å; P307-F309 PolarHBondContact O-N 3.24Å
310G24.5Very low29.4Very low67 Ų67124.5 Ų124.569%0.69174%0.744SS**  trans-80178.9173.200000113
311P37.6Very low28.3Very low113 Ų113127.4 Ų127.473%0.73475%0.75SS**  trans-91169.6-158.436.5-38.5000115.9
312D24.8Very low27.4Very low147 Ų147123.5 Ų123.579%0.78675%0.747SS**  trans64.8131.7163.3-49.9-40.3000116.8
313T25.6Very low26.6Very low109 Ų109124.7 Ų124.767%0.66976%0.758SS**  -168.9135.951.2-56.50000111.7
314Q25.7Very low26.2Very low180 Ų180127.9 Ų127.984%0.84176%0.759SS**  trans50.2115.1154.7-64.416433.400119.2
315S24.2Very low26.1Very low112 Ų112130.7 Ų130.778%0.78377%0.766SS**  84.6107.167.6173.90000115.2
316E22.5Very low26.4Very low189 Ų189133.5 Ų133.588%0.88377%0.766SS**  trans-164.7143.7130.6-115.4177.9-176.500112.8
317L27.3Very low26.5Very low156 Ų156131.1 Ų131.182%0.81775%0.754SS**  trans-143119.5170.3-178.495.9000109.2
318P29.9Very low26.4Very low104 Ų104130.4 Ų130.468%0.67576%0.757SS**  trans-129.4147132.74.318.5000111.4
319T21.2Very low26.4Very low117 Ų117130.3 Ų130.372%0.71875%0.746SS**  72.2125.455.5-55.20000112
320S23.8Very low26.4Very low76 Ų76128.7 Ų128.753%0.53175%0.746SS.*  cis-172.8-154.9-8.858.30000110.6
321F23.5Very low26.5Very low192 Ų192130.5 Ų130.584%0.84275%0.748SS**  trans80.5147.9171.8-51.2-72.2000117.4
322A25.4Very low26.8Very low85 Ų85130 Ų13070%0.70275%0.745SS**  cis-142.5140.9-1.600000109
323V23.7Very low26.8Very low120 Ų120130.9 Ų130.973%0.72774%0.744SS**  59.4111.374.5-176.70000115.5
324I27.2Very low26.8Very low169 Ų169133.2 Ų133.287%0.86775%0.751SS**  trans-140.5142.6139.7-62.3-170.5000108.1
325T27.6Very low27.3Very low114 Ų114129.8 Ų129.870%0.69975%0.745SS**  trans-84.9-177.2-18032.10000112.7
326E33.3Very low27.7Very low177 Ų177129.9 Ų129.983%0.82774%0.742SS**  cis-135.914426.9-70.7175151.200110.1
327D27.7Very low27.8Very low126 Ų126127.6 Ų127.667%0.67474%0.741SS**  63.1124.370.5-155.138.5000112.4T329D327-T329 PolarHBondContact OD1-N 3.23Å
328A26.9Very low27.8Very low88 Ų88128.7 Ų128.773%0.72774%0.742SS**  -139.7117.18000000115.3
329T26.5Very low27.9Very low100 Ų100129.3 Ų129.361%0.61375%0.746SS**  37.9139.2122.735.50000120.9D327D327-T329 PolarHBondContact OD1-N 3.23Å
330L25.1Very low28Very low162 Ų162131.6 Ų131.685%0.84875%0.749SS**  cis-152.5158.414.9-111.2175000112.5
331S26.1Very low28Very low105 Ų105134.8 Ų134.873%0.73476%0.759SS**  trans-97.5-151.1166.6-34.60000110
332P44.4Very low28Very low103 Ų103133.8 Ų133.867%0.66976%0.757SS**  cis-107-153.3-2.441.3-25.6000111.1
333E25Very low28Very low164 Ų164135 Ų13577%0.76676%0.756SS**  cis-152.9138.31.6-136.5139.975.600105.6
334L25.8Very low28.3Very low159 Ų159135.1 Ų135.183%0.83276%0.756SS**  71.6150.167.9-75.5175.3000115.6
335P35.7Very low28.3Very low108 Ų108134.6 Ų134.670%0.70176%0.755SS**  trans-127.3-148.8-130.946.2-29.4000111.3
336P34.2Very low28.2Very low113 Ų113132.6 Ų132.673%0.73476%0.758SS**  cis-135.2-153.7-8.937.8-15.2000114.1
337V22.8Very low28.2Very low142 Ų142128.6 Ų128.686%0.86176%0.755SS**  trans111145.9163.6-174.80000115.3
338E27.1Very low28.3Very low179 Ų179130.5 Ų130.584%0.83676%0.759SS**  trans-99.2150.8-159.2-165.9167.9-164.300111.9
339P33.4Very low28.6Very low116 Ų116134.6 Ų134.675%0.75376%0.763SS**  trans-94.8156.8-161.236.2-36.6000115.9
340Q22.5Very low28.5Very low166 Ų166133.3 Ų133.378%0.77677%0.77SS**  trans-140.9120.2168.5-85.1-75.3-9.300111.4
341L24.3Very low28.6Very low142 Ų142133.1 Ų133.174%0.74377%0.769SS**  trans56.8136.1143.1-78.1178.4000124.8
342E23.2Very low29.8Very low172 Ų172132.9 Ų132.980%0.80477%0.765SS**  trans69.5158.3150.6-61.5-167.9123.800123.1
343T25.2Very low28.9Very low110 Ų110134.5 Ų134.568%0.67577%0.768SS**  cis-170.1171.5-42-63.10000107
344V30.1Very low29Very low123 Ų123133.1 Ų133.175%0.74577%0.771SS**  trans82.4137.3161.1-171.30000115.1
345D27.3Very low29.2Very low157 Ų157130.3 Ų130.384%0.8476%0.764SS**  cis-145.5171.25.6-141.7-31.4000113.4
346G24.7Very low28.6Very low73 Ų73136.9 Ų136.975%0.75378%0.776SS**  trans146.592.6159.400000117.2
347A34.4Very low28.2Very low92 Ų92136.5 Ų136.576%0.7678%0.776SS**  trans-87178.4173.400000112.4
348E29.4Very low29.5Very low166 Ų166135.4 Ų135.478%0.77677%0.771SS**  cis-152.2174.723.1-58.7-175.466.200109.8
349H33.1Very low29.9Very low174 Ų174133 Ų13381%0.80677%0.771SS**  cis-161.1163.1-10.4-130115.5000108.5
350G23.8Very low29.6Very low73 Ų73131.8 Ų131.875%0.75377%0.771SS**  trans151.5109.4159.300000117.8
351L28.1Very low30.1Very low158 Ų158132.5 Ų132.583%0.82778%0.776SS**  trans-136.2177.9174.7-92.6168.5000108.3
352P50.3Low30.1Very low101 Ų101130.8 Ų130.866%0.65678%0.783SS**  cis-133.1174.84.322.73.2000116.5
353D27.2Very low30.4Very low136 Ų136128 Ų12873%0.72778%0.782SS**  trans34.2153.1133.3-44-26.6000121.4
354T27.4Very low30.5Very low135 Ų135130.1 Ų130.183%0.82880%0.795SS**  cis-161.2163.14631.40000113.6
355S28.8Very low30.4Very low100 Ų100129.4 Ų129.470%0.69980%0.796SS**  trans-86.9151.2162.552.60000112.8
356W23.7Very low30.4Very low247 Ų247130.4 Ų130.494%0.93680%0.8SS**  -176.7-173.2113.8-122.6-32.5000113
357S25.4Very low30.6Very low105 Ų105132.3 Ų132.373%0.73480%0.802SS**  trans-111-166.6-168.1-37.50000112.1
358P50.4Low30.2Very low118 Ų118137.7 Ų137.777%0.76681%0.811SS**  trans-100.2171.2-13642.5-40.7000116.4
359P34.4Very low30.2Very low129 Ų129134.1 Ų134.184%0.83881%0.81SS**  trans-109.6171159.639.2-30.1000113.2
360A27.3Very low30.5Very low91 Ų91130.7 Ų130.775%0.75280%0.804SS**  trans-129.3157.5176.800000112.3
361M32.5Very low31Very low180 Ų180133 Ų13389%0.88781%0.805SS**  trans52.6111.8159.3-61.6-66.2-8200119.4
362A25.6Very low30.9Very low107 Ų107133.6 Ų133.688%0.88480%0.802SS**  trans-148.2149.2151.400000110.2
363S29.9Very low29.7Very low113 Ų113138.4 Ų138.479%0.7981%0.812SS**  trans-120.2137.1-170.9-42.50000112.6
364T26.7Very low29.6Very low154 Ų154138.9 Ų138.995%0.94581%0.812SS**  trans-141.9157.9160.943.60000110.6
365S28.8Very low29.7Very low108 Ų108136.9 Ų136.976%0.75581%0.809SS**  trans-120.4146.6-167.5580000113.1
366L26.7Very low29.5Very low178 Ų178137.5 Ų137.593%0.93281%0.814SS**  trans-148.9160.2143.1-138.471.7000110.1
367S27.9Very low29.7Very low114 Ų114131.5 Ų131.580%0.79781%0.809SS**  trans-112.6136.2-170.4-520000112
368E26.4Very low29.9Very low204 Ų204132.9 Ų132.995%0.95381%0.807SS**  trans-158.9160.4146.5-120171.9154.800110.8
369A30.4Very low28.7Very low91 Ų91136.3 Ų136.375%0.75281%0.81SS**  trans-161.1169.6-175.800000110.3
370P39.3Very low28.3Very low103 Ų103135.6 Ų135.667%0.66981%0.808SS**  -113.4-176.1-61.339.6-30.5000110.1
371P33.8Very low28.5Very low121 Ų121138.7 Ų138.779%0.78681%0.812SS**  trans-121.7143.2145.335-28000113.3
372F25.7Very low28.3Very low171 Ų171137.2 Ų137.275%0.7581%0.813SS**  trans-84.3140166.6-84.4-116.8000110.5
373F24.9Very low28.4Very low201 Ų201138.7 Ų138.788%0.88281%0.806SS**  trans-148.698.5138.9-79.1-72000106.9
374M26.6Very low28.6Very low147 Ų147142.1 Ų142.172%0.72481%0.809SS**  67.4109.481.1-74.1-63-63.800113.9
375A27.5Very low28.6Very low92 Ų92138.6 Ų138.676%0.7680%0.803SS**  trans-81.4159.616000000110.6
376S26.7Very low28.6Very low114 Ų114140 Ų14080%0.79781%0.808SS**  trans-149.9134.4162.2-83.10000110.3
377S27Very low28.7Very low120 Ų120137.8 Ų137.884%0.83980%0.801SS**  trans-94.8155.3159.762.10000110.2
378I29.4Very low28.6Very low135 Ų135139.2 Ų139.269%0.69280%0.8SS**  trans-141.6131.4171.6-53.9-178.6000103.3
379F24.8Very low28.7Very low189 Ų189135.2 Ų135.283%0.82979%0.79SS**  cis-130.3147.141.4-76.4-100000115.7
380S27.2Very low28.5Very low114 Ų114140 Ų14080%0.79780%0.799SS**  trans-127.1141.2151.6-64.90000107.8
381L30.2Very low27.9Very low157 Ų157139.3 Ų139.382%0.82280%0.802SS**  trans-169.9102.7159.9-116.1171.4000113.6
382T28.1Very low27.6Very low148 Ų148140.1 Ų140.191%0.90881%0.805SS**  -160.7168.1127.8-5.80000110.4
383D29.4Very low27.6Very low139 Ų139138 Ų13874%0.74380%0.802SS**  trans-95.9136.4-147-128.6-14.3000117.1
384Q33Very low27.9Very low185 Ų185135.9 Ų135.986%0.86480%0.795SS**  trans14.3131.7131.9-159.5170.2122.100120.9
385G26.8Very low28Very low79 Ų79134.6 Ų134.681%0.81480%0.795SS**  trans-179.8111.8162.800000114.2
386T28.8Very low27.8Very low138 Ų138137.9 Ų137.985%0.84780%0.797SS**  trans-91.8153.9-179.428.10000113.9
387T29.3Very low27.8Very low131 Ų131140 Ų14080%0.80480%0.798SS**  172.4154.8123.5-64.70000110.6
388D25Very low28Very low144 Ų144140.3 Ų140.377%0.7780%0.795SS**  trans-66161.8-179.2-51.9-94.7000116.2
389T28.1Very low28.7Very low121 Ų121139.8 Ų139.874%0.74280%0.8SS**  154.3114112.7-61.80000114.7
390M26.1Very low28.6Very low190 Ų190134.4 Ų134.494%0.93680%0.798SS**  trans53.7165.1156-64-162.2-176.600121.5
391A27.6Very low28.6Very low90 Ų90136.6 Ų136.674%0.74480%0.8SS**  trans-102.9167.1-177.100000112.7
392T27.8Very low28.4Very low137 Ų137136 Ų13684%0.8480%0.803SS**  -177.9106.6128.2-70.80000111.3
393D24.9Very low28.5Very low128 Ų128136.5 Ų136.568%0.68480%0.798SS**  trans54.8150.8134-143.111.5000124.5
394Q30.6Very low28.9Very low156 Ų156134.8 Ų134.873%0.72980%0.795SS**  trans65.6140.9161-70.3163.157.400119.4
395T28.9Very low28.4Very low119 Ų119132.1 Ų132.173%0.7379%0.792SS**  cis-154.7145-2.5-5.90000113.7
396M24.8Very low28.4Very low161 Ų161132.8 Ų132.879%0.79378%0.783SS**  trans14.7127.9143-65.3-94.3-75.900121.3
397L26.3Very low28.3Very low158 Ų158132.6 Ų132.683%0.82778%0.777SS**  -177.6156.7108-98166.9000114.6
398V29.7Very low28.3Very low128 Ų128136.5 Ų136.578%0.77678%0.779SS**  trans-153.7161-173.5169.40000106.2
399P44Very low28.5Very low123 Ų123134.9 Ų134.980%0.79978%0.779SS**  cis-123.3-165.1-7.530.2-7.9000113.6
400G23.1Very low28.5Very low76 Ų76133 Ų13378%0.78478%0.776SS**  trans-171.4113.7159.100000115.1
401L28.2Very low28.6Very low161 Ų161131.8 Ų131.884%0.84377%0.771SS**  trans-84151.8171.7-92.467.5000111.5
402T24.7Very low28.5Very low143 Ų143132.8 Ų132.888%0.87777%0.773SS**  -176.6152.3114.722.20000114.5
403I32.2Very low28.6Very low159 Ų159134.3 Ų134.382%0.81577%0.77SS**  trans-130.4133.2167.7-65.8167.4000102.9
404P35.8Very low28.6Very low104 Ų104136.7 Ų136.768%0.67578%0.782SS**  -164.3175.785.740.7-16.8000120.9
405T24.2Very low28.5Very low129 Ų129133.2 Ų133.279%0.79178%0.78SS**  trans74.5127.1141.438.60000125.3
406S26.8Very low28.4Very low92 Ų92136.2 Ų136.264%0.64379%0.791SS**  83.2100122.3-1630000122.4
407D26.3Very low28.2Very low135 Ų135132 Ų13272%0.72279%0.788SS**  70.6153.2122.1-50.6-51000125.6
408Y28.4Very low28.4Very low212 Ų212132 Ų13283%0.83179%0.787SS**  trans71.495163.4-81.6-77.3000122.8
409S28.9Very low27.9Very low111 Ų111131.5 Ų131.578%0.77679%0.79SS**  45.4130.1123.4-52.20000123.3
410A28.8Very low26.9Very low81 Ų81133.8 Ų133.867%0.66979%0.79SS**  149.6144.8104.100000115.8
411I29.3Very low27.9Very low164 Ų164135.9 Ų135.984%0.84179%0.789SS**  trans67134.1154-63.9156.2000115.6
412S24.1Very low28.4Very low111 Ų111134.2 Ų134.278%0.77679%0.788SS**  cis-154.4174.537.6-153.90000115
413Q29.7Very low28.4Very low170 Ų170132.3 Ų132.379%0.79479%0.787SS**  trans-104.4156.6170.1-59.1168.4-31.100111.5
414L26.5Very low28.2Very low177 Ų177129.7 Ų129.793%0.92778%0.783SS**  173.4172.8118.6-96.5162.7000113.5
415A27.3Very low28Very low84 Ų84129.6 Ų129.669%0.69478%0.784SS**  trans-120.3-150.3-170.200000113
416L26.3Very low28.5Very low182 Ų182131 Ų13195%0.95379%0.787SS**  trans83.1153.3-173.6-51170.4000114.3
417G22.1Very low28.5Very low72 Ų72133.8 Ų133.874%0.74280%0.795SS**  cis-178.2162.1-2.700000112.4
418I29.3Very low28.7Very low157 Ų157132.3 Ų132.381%0.80580%0.795SS**  trans-88145.1-170.8-60.9161.8000112.6
419S19.5Very low28.9Very low118 Ų118133.2 Ų133.283%0.82580%0.797SS**  trans-165.3148.2149.6-82.70000114.6
420H24.3Very low28.8Very low172 Ų172134 Ų13480%0.79680%0.803SS**  trans-102.2-164.7169.5-61-78.3000109.5
421P42.4Very low28.8Very low119 Ų119135.9 Ų135.977%0.77381%0.811SS**  cis-122.5-135.5-6.847.7-29.2000109.9
422P39.8Very low28.8Very low126 Ų126132.9 Ų132.982%0.81881%0.811SS**  cis-113.6-152.70.144-29.3000113.7
423A24.8Very low28.9Very low103 Ų103131.6 Ų131.685%0.85181%0.814SS**  trans-154.4175-176.100000114.2
424S26.7Very low29Very low104 Ų104127 Ų12773%0.72781%0.813SS**  trans-160.4113.3170.359.90000109.6
425S31.7Very low29.3Very low102 Ų102128.2 Ų128.271%0.71381%0.814SS**  67.2134.894.775.90000115
426D35.2Very low29.4Very low160 Ų160130.8 Ų130.886%0.85682%0.816SS**  cis-168.4-171.26.3-131.3-39.6000114.2
427D27.1Very low29.5Very low149 Ų149128.6 Ų128.680%0.79780%0.802SS**  trans86.4140.6164.4-131.111.1000116.7
428S31.3Very low29.8Very low105 Ų105130 Ų13073%0.73480%0.796SS**  cis-151.1172.812.2710000116.4
429R31.5Very low29.9Very low231 Ų231133.1 Ų133.187%0.87280%0.798SS**  trans-51.1150-169.1-62.7169.3166.7-176.8-4.7120.4
430S27.2Very low30.4Very low127 Ų127134.8 Ų134.889%0.88879%0.792SS**  -178.9180105.147.70000112.6
431S27.8Very low30.8Very low121 Ų121133 Ų13385%0.84679%0.788SS**  trans-153.1139.3-166.5173.40000114.3
432A30.8Very low30.1Very low101 Ų101132.9 Ų132.984%0.83578%0.781SS**  trans169.1150.9135.400000114
433G26.8Very low29.6Very low83 Ų83134.6 Ų134.686%0.85678%0.778SS**  trans99.1101.3145.900000118.6
434G30.5Very low29.8Very low74 Ų74137.8 Ų137.876%0.76378%0.777SS**  trans-96.3-165.4-177.500000117.7
435E33.4Very low29.8Very low202 Ų202139 Ų13994%0.94478%0.775SS**  trans68.1146.7164.7-65.5174.8177.600117.4
436D28.6Very low29.7Very low138 Ų138140.7 Ų140.774%0.73878%0.776SS**  cis-165.5168.7-19.8-176.728.6000109.7
437M29.4Very low29.3Very low136 Ų136137.7 Ų137.767%0.6777%0.767SS**  trans62.5107.4150.9-98.7-17150.800123.4
438V28.5Very low29.4Very low101 Ų101137.2 Ų137.261%0.61277%0.765SS**  76.4139.6111.5164.20000122.8
439R29.9Very low29.4Very low224 Ų224138.1 Ų138.185%0.84577%0.766SS**  trans75.9163.2164.1-78.3157.6-166173.45.3118.7
440H30.4Very low29.3Very low153 Ų153133.1 Ų133.171%0.70876%0.763SS**  cis174.1141.7-40.3-140.1-49.3000107.7
441L32.3Very low29.3Very low134 Ų134131.2 Ų131.270%0.70276%0.755SS**  trans65.7161.5165.1-50.8-173.9000114.8
442D27.6Very low29.6Very low117 Ų117131.2 Ų131.263%0.62675%0.753SS**  cis-160178.1-20.6-109.4-24.2000108.8
443E29.8Very low29.2Very low162 Ų162131.5 Ų131.576%0.75775%0.749SS**  trans70.1127156.2-80.5174.472.200117.6
444M29.6Very low29.1Very low170 Ų170136.3 Ų136.384%0.83775%0.749SS**  70.7137.978.3-79.8-177.7175.100114
445D26.9Very low29.2Very low128 Ų128138.6 Ų138.668%0.68475%0.748SS**  cis-163.7170.6-5.7-166.514.2000111
446L29.7Very low29.1Very low138 Ų138134.5 Ų134.572%0.72374%0.738SS**  trans68.4150.1150.4-88.7166.6000125.1
447S26.7Very low29Very low97 Ų97135.5 Ų135.568%0.67874%0.739SS**  trans87.4101.1145.160.80000123.5
448D27.9Very low29Very low140 Ų140136.2 Ų136.275%0.74975%0.745SS**  61.5110.2124.7-65.8-62.5000125.5
449T33.1Very low28.8Very low124 Ų124136 Ų13676%0.76175%0.748SS**  26.4127.8121.4-35.20000121.1
450P28.2Very low28.7Very low125 Ų125133.4 Ų133.481%0.81275%0.745SS**  -137.5155.8124.438-27.8000115.1
451A27.2Very low28.5Very low87 Ų87135.3 Ų135.372%0.71975%0.747SS**  trans-106.2159170.700000112
452P34.3Very low28Very low121 Ų121135.8 Ų135.879%0.78676%0.756SS**  -132.3155.7104.910.112.8000112.7
453S22.7Very low27.8Very low108 Ų108133.8 Ų133.876%0.75575%0.751SS**  65.913671-129.20000113.2
454E25.5Very low27.6Very low184 Ų184132.5 Ų132.586%0.8675%0.754SS**  cis-140.4177.922.9-67.1177.2138.900114.1
455V32.8Very low28Very low121 Ų121129 Ų12973%0.73374%0.744SS**  trans-108.9168177-1430000110.8
456P30.4Very low27.9Very low116 Ų116130.7 Ų130.775%0.75375%0.752SS**  -139.6151.390.528.3-8.1000113.4
457E26.3Very low27.6Very low159 Ų159130.9 Ų130.974%0.74375%0.749SS**  68.613851.9-70.9-154.4122.900114.9
458L30.3Very low27.5Very low152 Ų152133.5 Ų133.580%0.79675%0.749SS**  cis-166.1-160.7-20.6-154.989.8000108.3
459S23.8Very low27.4Very low96 Ų96135.1 Ų135.167%0.67176%0.757SS**  trans81.5138164.2-175.30000117.8
460E26.6Very low27.3Very low170 Ų170136.4 Ų136.479%0.79475%0.754SS**  cis-167.9170.6-15-173.7154.4-169.200113.6
461Y26.5Very low27.2Very low192 Ų192137.5 Ų137.575%0.75375%0.753SS**  trans-39.1149.3-176-97.3-108.2000121.5S463Y461-S463 VanDerWaalsContact CD1-OG 3.29Å; Y461-S463 WeakPolarHBondContact CD1-OG 3.36Å; Y461-S463 WeakPolarHBondContact CE1-OG 3.32Å
462V21.6Very low27.1Very low145 Ų145139.1 Ų139.188%0.87975%0.754SS**  trans-139.5156.7130.8-176.40000108.3
463S24Very low26.9Very low74 Ų74138.9 Ų138.952%0.51775%0.751SS.*  trans-153.8165.2179.2-62.40000113.3Y461Y461-S463 VanDerWaalsContact CD1-OG 3.29Å; Y461-S463 WeakPolarHBondContact CD1-OG 3.36Å; Y461-S463 WeakPolarHBondContact CE1-OG 3.32Å
464V26.7Very low27.4Very low136 Ų136137 Ų13782%0.82474%0.736SS**  trans74.1146.7165.2-171.90000115.8
465P36.9Very low27.7Very low97 Ų97132.5 Ų132.563%0.6372%0.721SS**  cis-115.2178.4-20.636.8-23.8000112.8
466D24.4Very low27.7Very low162 Ų162130.5 Ų130.587%0.86671%0.712SS**  -143.4157.8126.9-141.8-24.9000110.5
467H25Very low28.3Very low142 Ų142125.7 Ų125.766%0.65768%0.682SS**  trans-102.9141.8-167.7-91.6-112.8000113.9
468F24.6Very low29.1Very low153 Ų153124.4 Ų124.467%0.67168%0.68SS**  trans37.3120.5147.9-73.6-109.6000119.4E470F468-E470 HydrophobicContact CD1-CG 4.5Å
469L25.8Very low29.7Very low174 Ų174123.1 Ų123.191%0.91167%0.67SS**  -141.7134.2113.4-100177.1000109.7D471L469-D471 PolarHBondContact O-N 2.84Å
470E30.5Very low30.5Very low150 Ų150122.4 Ų122.470%0.70165%0.653SS**  trans-80.890.1177.6-72.9158.595.400109.8F468 T472F468-E470 HydrophobicContact CD1-CG 4.5Å; E470-T472 VanDerWaalsContact C-N 3.32Å; E470-T472 PolarHBondContact O-N 2.91Å; E470-T472 PolarHBondContact O-OG1 2.8Å
471D24.9Very low31.5Very low148 Ų148118.8 Ų118.879%0.79164%0.638SS**  trans-67.292.8174.8-167.318.2000110.1L469 T473L469-D471 PolarHBondContact O-N 2.84Å; D471-T473 PolarHBondContact O-N 3.07Å
472T25.5Very low32.1Very low121 Ų121115.1 Ų115.174%0.74264%0.636SS**  trans-76.691.8-171.4-61.40000108.7E470E470-T472 VanDerWaalsContact C-N 3.32Å; E470-T472 PolarHBondContact O-N 2.91Å; E470-T472 PolarHBondContact O-OG1 2.8Å
473T30Very low33.3Very low117 Ų117111.4 Ų111.472%0.71861%0.613SS**  trans-52.7125.2-177.247.60000111.3D471D471-T473 PolarHBondContact O-N 3.07Å
474P33.9Very low34.4Very low69 Ų69114 Ų11445%0.44863%0.632SS.*  trans-67.9141.3-170.124.7-33.6000112.1S476P474-S476 PolarHBondContact O-N 2.72Å
475V31.1Very low35.9Very low89 Ų89110.2 Ų110.254%0.53961%0.611SS.*  trans-6997.1-179.3179.60000109.6A477 Q479V475-A477 PolarHBondContact O-N 2.68Å; V475-Q479 VanDerWaalsContact CG1-CD 3.48Å; V475-Q479 HydrophobicContact CG1-CG 4.18Å
476S34Very low37.7Very low79 Ų79111.3 Ų111.355%0.55261%0.609SS**  trans-50.2135.9-167.7-45.10000114P474 L478 Q479P474-S476 PolarHBondContact O-N 2.72Å; S476-L478 PolarHBondContact O-N 2.91Å; S476-Q479 PolarHBondContact O-N 3.46Å
477A41.1Very low40.3Very low14 Ų14105.2 Ų105.212%0.11658%0.578CS.*THydrogen-bonded Turntrans-42.2-18.3179.100000118.1V475 Q479 Y480 V578 D581V475-A477 PolarHBondContact O-N 2.68Å; A477-Q479 PolarHBondContact O-N 2.88Å; A477-Q479 VanDerWaalsContact O-N 3.11Å; A477-Y480 PolarHBondContact O-N 3.22Å; A477-Y480 VanDerWaalsContact O-N 3.11Å; A477-V578 HydrophobicContact CB-CG2 4.31Å; A477-D581 WeakPolarHBondContact CB-OD2 3.37Å; A477-D581 PolarHBondContact N-OD2 3.19Å
478L43Very low42.7Very low132 Ų132103.6 Ų103.669%0.69157%0.573SS**Hα-helixtrans-52.6-26.5173.5-69.8171.5000114.1S476 Y480S476-L478 PolarHBondContact O-N 2.91Å; L478-Y480 VanDerWaalsContact C-N 3.34Å; L478-Y480 PolarHBondContact O-N 3.08Å
479Q43.5Very low45Very low126 Ų12696.6 Ų96.659%0.58954%0.543SS*.Hα-helixtrans-68.8-25.8177.5-67.8-162.25.300114.2V475 S476 A477 T482V475-Q479 VanDerWaalsContact CG1-CD 3.48Å; V475-Q479 HydrophobicContact CG1-CG 4.18Å; S476-Q479 PolarHBondContact O-N 3.46Å; A477-Q479 PolarHBondContact O-N 2.88Å; A477-Q479 VanDerWaalsContact O-N 3.11Å; Q479-T482 PolarHBondContact O-OG1 3.04Å
480Y40.3Very low46.7Very low81 Ų8192.1 Ų92.132%0.31853%0.525SS..Hα-helixtrans-77.9-31-178.4-59.7-76.1000112.2A477 L478 T482 T483A477-Y480 PolarHBondContact O-N 3.22Å; A477-Y480 VanDerWaalsContact O-N 3.11Å; L478-Y480 VanDerWaalsContact C-N 3.34Å; L478-Y480 PolarHBondContact O-N 3.08Å; Y480-T482 VanDerWaalsContact C-N 3.29Å; Y480-T482 PolarHBondContact O-N 3.13Å; Y480-T483 PolarHBondContact O-N 3.32Å; Y480-T483 PolarHBondContact O-OG1 2.98Å
481I47.5Very low48.2Very low94 Ų9492.8 Ų92.848%0.48253%0.525SS..Hα-helixtrans-70.7-23.2-176.9-55.1176.6000112T483I481-T483 VanDerWaalsContact C-N 3.32Å; I481-T483 PolarHBondContact O-N 3.42Å
482T39.5Very low49.8Very low115 Ų11587.4 Ų87.471%0.70651%0.505SS*.THydrogen-bonded Turntrans-80.7-8.6178.857.70000113.8Q479 Y480 S484Q479-T482 PolarHBondContact O-OG1 3.04Å; Y480-T482 VanDerWaalsContact C-N 3.29Å; Y480-T482 PolarHBondContact O-N 3.13Å; T482-S484 PolarHBondContact O-N 3.46Å
483T47.2Very low51.9Low67 Ų6788 Ų8841%0.41149%0.493SS..SBendtrans-8197.5174.761.60000111Y480 I481 S485Y480-T483 PolarHBondContact O-N 3.32Å; Y480-T483 PolarHBondContact O-OG1 2.98Å; I481-T483 VanDerWaalsContact C-N 3.32Å; I481-T483 PolarHBondContact O-N 3.42Å; T483-S485 VanDerWaalsContact C-N 3.31Å; T483-S485 PolarHBondContact O-N 3Å
484S46.6Very low54.4Low129 Ų12986.1 Ų86.190%0.90248%0.477SS*.  trans-68.184.5-180-166.50000111.7T482T482-S484 PolarHBondContact O-N 3.46Å
485S59.5Low56.9Low55 Ų5583.5 Ų83.539%0.38546%0.459SS..  trans-142.9109.9-178.7-177.30000107.6T483 Y569 N570T483-S485 VanDerWaalsContact C-N 3.31Å; T483-S485 PolarHBondContact O-N 3Å; S485-Y569 CarbonylContact O-C 3.48Å; S485-Y569 WeakPolarHBondContact O-CA 3.39Å; S485-Y569 PolarHBondContact O-N 2.99Å; S485-N570 PolarHBondContact O-N 3.2Å
486M74.7Confident59.6Low121 Ų12180.8 Ų80.860%0.59644%0.442SS*.  trans-87.4123.4-173-168.6174.1-177.500110.8I488M486-I488 HydrophobicContact CE-CD1 4.15Å; M486-I488 HydrophobicContact CE-CG1 4.23Å; M486-I488 HydrophobicContact CG-CD1 4.22Å; M486-I488 HydrophobicContact CG-CG1 3.95Å; M486-I488 HydrophobicContact SD-CD1 4.01Å; M486-I488 HydrophobicContact SD-CG1 4.32Å
487T78.2Confident62.3Low34 Ų3477 Ų7721%0.20942%0.416CS..EExtended strand (participates in β ladder)trans-92.6130.2172.4-480000109.1L495 S566 V567 Y569 L571T487-L495 HydrophobicContact CG2-CD1 3.89Å; T487-L495 HydrophobicContact CG2-CD2 3.87Å; T487-S566 CarbonylContact O-C 3.55Å; T487-S566 VanDerWaalsContact O-CA 3.23Å; T487-S566 WeakPolarHBondContact O-CA 2.75Å; T487-V567 PolarHBondContact N-O 3.03Å; T487-V567 PolarHBondContact O-N 2.96Å; T487-Y569 PolarHBondContact OG1-O 3.42Å; T487-L571 HydrophobicContact CG2-CB 3.94Å; T487-L571 PolarHBondContact OG1-N 3.4Å
488I74.9Confident64.6Low107 Ų10777.2 Ų77.255%0.54941%0.414SS..EExtended strand (participates in β ladder)trans-133.9134.2-178-54.7179.4000109M486M486-I488 HydrophobicContact CE-CD1 4.15Å; M486-I488 HydrophobicContact CE-CG1 4.23Å; M486-I488 HydrophobicContact CG-CD1 4.22Å; M486-I488 HydrophobicContact CG-CG1 3.95Å; M486-I488 HydrophobicContact SD-CD1 4.01Å; M486-I488 HydrophobicContact SD-CG1 4.32Å
489A72.8Confident67Low7 Ų770.9 Ų70.96%0.05838%0.381CS..  trans-69.5127.9179.700000111.8G492 R493 L495 K565A489-G492 PolarHBondContact O-N 3.25Å; A489-R493 WeakPolarHBondContact CB-O 3.3Å; A489-L495 HydrophobicContact CB-CD2 3.85Å; A489-L495 HydrophobicContact CB-CG 3.92Å; A489-K565 WeakPolarHBondContact CB-O 3.42Å; A489-K565 PolarHBondContact N-O 3.02Å
490P62.3Low69.2Low79 Ų7965.4 Ų65.451%0.51336%0.357SS..G310 helixtrans-59.7143.3169.726-33.1000110.2G492P490-G492 PolarHBondContact O-N 3.05Å; P490-G492 VanDerWaalsContact O-N 3.14Å
491K62.1Low71.6Confident164 Ų16461.8 Ų61.871%0.71334%0.343SS*.G310 helixtrans61.514.3-179.5-45.9170-170.8168.10114.8R493 E628K491-R493 VanDerWaalsContact C-N 3.25Å; K491-R493 PolarHBondContact O-N 3.43Å; K491-E628 IonicContact NZ-OE1 2.84Å
492G57.1Low73.7Confident36 Ų3660.7 Ų60.737%0.37133%0.333SS..G310 helixtrans67.221.7173.500000115.2A489 P490 K565A489-G492 PolarHBondContact O-N 3.25Å; P490-G492 PolarHBondContact O-N 3.05Å; P490-G492 VanDerWaalsContact O-N 3.14Å; G492-K565 WeakPolarHBondContact O-CD 3.5Å; G492-K565 VanDerWaalsContact O-CE 3.26Å; G492-K565 WeakPolarHBondContact O-CE 3.42Å; G492-K565 PolarHBondContact O-NZ 3.05Å
493R70.3Confident76.1Confident132 Ų13255.3 Ų55.350%0.49830%0.3SS..  trans-75.2-174.2168.6-65-178.2176.9169-1.2110.3A489 K491 K565 E628A489-R493 WeakPolarHBondContact CB-O 3.3Å; K491-R493 VanDerWaalsContact C-N 3.25Å; K491-R493 PolarHBondContact O-N 3.43Å; R493-K565 WeakPolarHBondContact O-CG 3.4Å; R493-E628 IonicContact CZ-OE2 3.23Å; R493-E628 IonicContact NH1-OE2 3.94Å; R493-E628 PolarHBondContact NH1-OE2 2.95Å; R493-E628 IonicContact NH2-OE2 3.24Å; R493-E628 PolarHBondContact NH2-OE2 3.03Å; R493-E628 VanDerWaalsContact NH2-OE2 3.11Å
494E82.1Confident78.1Confident78 Ų7853.8 Ų53.836%0.36429%0.294SS..  trans-76.3149.3169.8-58.2-159.6140.600110.6K543E494-K543 WeakPolarHBondContact OE1-CD 3.27Å; E494-K543 IonicContact OE1-NZ 3.63Å; E494-K543 PolarHBondContact OE1-NZ 2.04Å
495L86.3Confident80Confident15 Ų1550.9 Ų50.98%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-73.4127.9169.5-80.3172.4000108.6T487 A489 K562 F563 A564 V567 L571T487-L495 HydrophobicContact CG2-CD1 3.89Å; T487-L495 HydrophobicContact CG2-CD2 3.87Å; A489-L495 HydrophobicContact CB-CD2 3.85Å; A489-L495 HydrophobicContact CB-CG 3.92Å; L495-K562 CarbonylContact O-C 2.83Å; L495-K562 WeakPolarHBondContact O-CA 3.46Å; L495-F563 HydrophobicContact CB-CB 3.94Å; L495-F563 PolarHBondContact N-O 3.48Å; L495-F563 PolarHBondContact O-N 2.95Å; L495-A564 WeakPolarHBondContact CB-O 3.32Å; L495-V567 HydrophobicContact CD1-CG1 4.47Å; L495-V567 HydrophobicContact CD1-CG2 3.95Å; L495-L571 HydrophobicContact CB-CD2 3.94Å; L495-L571 HydrophobicContact CD1-CD2 4.06Å; L495-L571 HydrophobicContact CG-CD2 4.43Å
496V88.7Confident81.3Confident31 Ų3150.7 Ų50.719%0.18826%0.262CS..EExtended strand (participates in β ladder)trans-125.7134.3-179.1-179.30000109.2F498 K560 M561 K562 A604V496-F498 HydrophobicContact CG1-CE2 4.17Å; V496-F498 HydrophobicContact CG1-CZ 4.26Å; V496-K560 HydrophobicContact CG1-CG 3.89Å; V496-M561 WeakPolarHBondContact CA-O 3.18Å; V496-K562 HydrophobicContact CG2-CG 4.32Å; V496-A604 HydrophobicContact CB-CB 3.7Å; V496-A604 HydrophobicContact CG1-CB 3.95Å; V496-A604 WeakPolarHBondContact O-CB 3.31Å; V496-A604 PolarHBondContact O-N 3.13Å
497V90.4Very high81.8Confident1 Ų149.4 Ų49.41%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-129131.8177.8176.10000108.7M561 F563 L571 V575 I601V497-M561 PolarHBondContact N-O 3.05Å; V497-M561 PolarHBondContact O-N 3.07Å; V497-F563 HydrophobicContact CB-CE2 4.34Å; V497-F563 HydrophobicContact CG2-CE2 4.23Å; V497-L571 HydrophobicContact CG2-CD2 3.57Å; V497-L571 HydrophobicContact CG2-CG 3.82Å; V497-V575 HydrophobicContact CG1-CG1 4.45Å; V497-I601 HydrophobicContact CG1-CG2 3.49Å; V497-I601 VanDerWaalsContact CG1-CG2 3.49Å
498F90.8Very high82.2Confident17 Ų1749.4 Ų49.48%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-97.6141.5171.6-64.9-82.1000109.6V496 L548 S559 K560 I601 E602 A604 A607 F612V496-F498 HydrophobicContact CG1-CE2 4.17Å; V496-F498 HydrophobicContact CG1-CZ 4.26Å; F498-L548 HydrophobicContact CD1-CD1 3.81Å; F498-L548 HydrophobicContact CE1-CD1 3.96Å; F498-S559 WeakPolarHBondContact CA-O 3.27Å; F498-K560 HydrophobicContact CD1-CB 4.03Å; F498-K560 HydrophobicContact CD1-CG 4.16Å; F498-K560 HydrophobicContact CE1-CB 3.99Å; F498-K560 HydrophobicContact CE1-CD 3.83Å; F498-K560 HydrophobicContact CE1-CG 3.74Å; F498-K560 HydrophobicContact CZ-CD 4.32Å; F498-K560 HydrophobicContact CZ-CG 4.32Å; F498-I601 WeakPolarHBondContact O-CA 3.21Å; F498-E602 PolarHBondContact N-O 2.83Å; F498-E602 PolarHBondContact O-N 3.08Å; F498-A604 HydrophobicContact CD2-CB 4.13Å; F498-A604 HydrophobicContact CE2-CB 3.65Å; F498-A607 HydrophobicContact CD2-CB 3.77Å; F498-A607 HydrophobicContact CE2-CB 4.42Å; F498-F612 HydrophobicContact CB-CD1 3.81Å; F498-F612 HydrophobicContact CB-CD2 3.56Å; F498-F612 HydrophobicContact CB-CE1 3.8Å; F498-F612 HydrophobicContact CB-CE2 3.57Å; F498-F612 HydrophobicContact CB-CG 3.69Å; F498-F612 HydrophobicContact CB-CZ 3.67Å; F498-F612 HydrophobicContact CD1-CB 4.28Å; F498-F612 HydrophobicContact CD1-CD2 4.44Å; F498-F612 HydrophobicContact CD1-CG 4.32Å; F498-F612 HydrophobicContact CG-CD2 4.02Å; F498-F612 HydrophobicContact CG-CE2 4.36Å; F498-F612 HydrophobicContact CG-CG 4.24Å
499F91.4Very high82.8Confident0 Ų046 Ų460%025%0.253CS..EExtended strand (participates in β ladder)trans-144.3152.5172.972-74.7000112.8L501 L531 L545 S559 M561 L579 N600 I601F499-L501 HydrophobicContact CD2-CD2 3.88Å; F499-L501 HydrophobicContact CE2-CD2 3.5Å; F499-L501 VanDerWaalsContact CE2-CD2 3.5Å; F499-L531 HydrophobicContact CE2-CD2 4.25Å; F499-L531 HydrophobicContact CZ-CD2 3.91Å; F499-L545 HydrophobicContact CE1-CD1 3.6Å; F499-L545 HydrophobicContact CZ-CD1 3.74Å; F499-S559 PolarHBondContact N-O 3.02Å; F499-S559 PolarHBondContact O-N 3.3Å; F499-M561 HydrophobicContact CD1-CE 3.65Å; F499-M561 HydrophobicContact CD1-CG 3.93Å; F499-M561 HydrophobicContact CE1-CE 3.21Å; F499-M561 HydrophobicContact CE1-CG 3.51Å; F499-M561 HydrophobicContact CE1-SD 4.19Å; F499-M561 HydrophobicContact CE2-CE 4.17Å; F499-M561 HydrophobicContact CG-CE 4.3Å; F499-M561 HydrophobicContact CZ-CE 3.51Å; F499-L579 HydrophobicContact CB-CD1 4.34Å; F499-L579 HydrophobicContact CD2-CD1 3.4Å; F499-L579 VanDerWaalsContact CD2-CD1 3.4Å; F499-L579 HydrophobicContact CD2-CD2 4.43Å; F499-L579 HydrophobicContact CE2-CD1 3.72Å; F499-L579 HydrophobicContact CE2-CD2 3.92Å; F499-L579 HydrophobicContact CG-CD1 3.9Å; F499-L579 HydrophobicContact CZ-CD1 4.47Å; F499-L579 HydrophobicContact CZ-CD2 4.47Å; F499-N600 CarbonylContact C-O 3.58Å; F499-N600 WeakPolarHBondContact CA-O 3.28Å; F499-I601 HydrophobicContact CB-CB 4.44Å; F499-I601 HydrophobicContact CB-CG1 3.86Å
500S90.8Very high83.2Confident11 Ų1151.8 Ų51.88%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-124140.3172.9-54.70000109.1V557 N558 L599 N600 F612S500-V557 WeakPolarHBondContact CA-O 3.44Å; S500-N558 WeakPolarHBondContact CB-OD1 3.44Å; S500-N558 PolarHBondContact OG-OD1 3.42Å; S500-L599 WeakPolarHBondContact O-CA 3.34Å; S500-N600 PolarHBondContact N-O 2.8Å; S500-N600 PolarHBondContact O-N 3.43Å; S500-N600 VanDerWaalsContact O-N 3.13Å; S500-F612 WeakPolarHBondContact OG-CD1 3.42Å; S500-F612 WeakPolarHBondContact OG-CE1 3.33Å
501L91.1Very high84.2Confident5 Ų552.1 Ų52.13%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-135.6155.8167.663.5127.8000109.7F499 V503 F527 I556 V557 I594F499-L501 HydrophobicContact CD2-CD2 3.88Å; F499-L501 HydrophobicContact CE2-CD2 3.5Å; F499-L501 VanDerWaalsContact CE2-CD2 3.5Å; L501-V503 HydrophobicContact CD1-CG2 4.07Å; L501-F527 HydrophobicContact CD1-CE2 3.79Å; L501-F527 HydrophobicContact CD1-CZ 3.83Å; L501-F527 HydrophobicContact CD2-CE1 4.22Å; L501-F527 HydrophobicContact CD2-CE2 4.36Å; L501-F527 HydrophobicContact CD2-CZ 3.54Å; L501-F527 HydrophobicContact CG-CZ 4.29Å; L501-I556 CarbonylContact O-C 3.46Å; L501-I556 WeakPolarHBondContact O-CA 3.48Å; L501-I556 WeakPolarHBondContact O-CG2 3.48Å; L501-V557 HydrophobicContact CD1-CB 4.46Å; L501-V557 HydrophobicContact CD1-CG2 4.21Å; L501-V557 HydrophobicContact CD2-CB 4.11Å; L501-V557 HydrophobicContact CG-CB 4.03Å; L501-V557 HydrophobicContact CG-CG2 4.29Å; L501-V557 PolarHBondContact N-O 2.88Å; L501-V557 PolarHBondContact O-N 3.39Å; L501-I594 HydrophobicContact CB-CG2 4.16Å; L501-I594 HydrophobicContact CD1-CD1 3.96Å; L501-I594 HydrophobicContact CD1-CG1 3.99Å; L501-I594 HydrophobicContact CD1-CG2 4.08Å
502R90.9Very high85.4Confident70 Ų7044.6 Ų44.626%0.26425%0.248SC..EExtended strand (participates in β ladder)trans-112.3133.6176.4-179-174.5168.4-106-15.5110.3G553 S554 I556 I594 D595 S598R502-G553 VanDerWaalsContact CD-O 3.28Å; R502-G553 WeakPolarHBondContact CD-O 3.43Å; R502-G553 VanDerWaalsContact CG-O 3.31Å; R502-G553 WeakPolarHBondContact CG-O 3.16Å; R502-G553 PolarHBondContact NE-O 2.84Å; R502-S554 VanDerWaalsContact CG-O 3.22Å; R502-S554 WeakPolarHBondContact CG-O 3.28Å; R502-S554 PolarHBondContact NH2-OG 3.07Å; R502-I556 HydrophobicContact CB-CG1 4.06Å; R502-I556 HydrophobicContact CG-CG1 4.04Å; R502-I594 WeakPolarHBondContact O-CA 3.5Å; R502-D595 HydrophobicContact CB-CB 4.2Å; R502-D595 IonicContact CZ-OD2 3.78Å; R502-D595 IonicContact NH1-OD2 2.73Å; R502-D595 PolarHBondContact NH1-OD2 2.86Å; R502-D595 PolarHBondContact O-N 3.21Å; R502-S598 VanDerWaalsContact CB-CB 3.42Å; R502-S598 VanDerWaalsContact CB-OG 3.22Å; R502-S598 WeakPolarHBondContact CB-OG 3.33Å; R502-S598 PolarHBondContact N-OG 2.91Å
503V90.6Very high86.5Confident3 Ų347.5 Ų47.52%0.01825%0.251CS..BIsolated β-bridgetrans-101.592.6176.6-175.70000108.9L501 N505 M506 S554 V555 V557 L592 E593L501-V503 HydrophobicContact CD1-CG2 4.07Å; V503-N505 VanDerWaalsContact C-N 3.28Å; V503-N505 WeakPolarHBondContact CG1-OD1 3.46Å; V503-N505 PolarHBondContact O-N 2.89Å; V503-M506 HydrophobicContact CB-CB 4.36Å; V503-M506 HydrophobicContact CB-CG 4.46Å; V503-M506 HydrophobicContact CG1-CB 3.97Å; V503-M506 HydrophobicContact CG1-CG 3.64Å; V503-M506 HydrophobicContact CG1-SD 3.98Å; V503-M506 PolarHBondContact O-N 2.68Å; V503-M506 VanDerWaalsContact O-N 3.14Å; V503-S554 CarbonylContact C-O 3.45Å; V503-S554 PolarHBondContact N-O 2.8Å; V503-S554 VanDerWaalsContact N-O 3.13Å; V503-S554 CarbonylContact O-C 3.44Å; V503-S554 VanDerWaalsContact O-CB 3.32Å; V503-S554 WeakPolarHBondContact O-CB 3.34Å; V503-V555 PolarHBondContact N-O 3.11Å; V503-V555 VanDerWaalsContact N-O 3.15Å; V503-V557 HydrophobicContact CG2-CG2 4.17Å; V503-L592 HydrophobicContact CG1-CB 3.99Å; V503-L592 HydrophobicContact CG1-CD2 4.02Å; V503-L592 HydrophobicContact CG1-CG 4.5Å; V503-E593 CarbonylContact C-O 3.48Å; V503-E593 WeakPolarHBondContact CA-O 3.27Å
504A87.7Confident86.6Confident35 Ų3544.3 Ų44.329%0.28924%0.244SC..THydrogen-bonded Turntrans-57-37.5-16700000113.8S554 E593A504-S554 WeakPolarHBondContact O-CB 3.46Å; A504-S554 PolarHBondContact O-OG 2.84Å; A504-E593 HydrophobicContact CB-CB 4.37Å; A504-E593 PolarHBondContact N-O 3.05Å
505N87.6Confident86.6Confident68 Ų6843.2 Ų43.236%0.36424%0.238SC..THydrogen-bonded Turntrans-882.5-176.568.8-9.6000115V503 H591 E593V503-N505 VanDerWaalsContact C-N 3.28Å; V503-N505 WeakPolarHBondContact CG1-OD1 3.46Å; V503-N505 PolarHBondContact O-N 2.89Å; N505-H591 PolarHBondContact ND2-O 2.94Å; N505-E593 HydrophobicContact CB-CB 4.08Å; N505-E593 HydrophobicContact CB-CG 4.24Å; N505-E593 WeakPolarHBondContact ND2-CG 3.25Å; N505-E593 PolarHBondContact ND2-N 3.1Å; N505-E593 PolarHBondContact ND2-OE1 2.78Å; N505-E593 PolarHBondContact OD1-N 3.29Å; N505-E593 VanDerWaalsContact OD1-N 3.11Å
506M86Confident86.4Confident51 Ų5145.6 Ų45.625%0.25126%0.255SS..PPolyproline II helixtrans-102.7131172.6-71.9-167.875.600112.4V503 L523 S554 V555 L592V503-M506 HydrophobicContact CB-CB 4.36Å; V503-M506 HydrophobicContact CB-CG 4.46Å; V503-M506 HydrophobicContact CG1-CB 3.97Å; V503-M506 HydrophobicContact CG1-CG 3.64Å; V503-M506 HydrophobicContact CG1-SD 3.98Å; V503-M506 PolarHBondContact O-N 2.68Å; V503-M506 VanDerWaalsContact O-N 3.14Å; M506-L523 HydrophobicContact CE-CD1 3.85Å; M506-L523 HydrophobicContact CE-CD2 3.87Å; M506-L523 HydrophobicContact CE-CG 4.49Å; M506-L523 HydrophobicContact SD-CD1 3.88Å; M506-L523 HydrophobicContact SD-CD2 4.31Å; M506-S554 VanDerWaalsContact O-CA 3.25Å; M506-S554 WeakPolarHBondContact O-CA 3.31Å; M506-V555 HydrophobicContact CB-CB 4.16Å; M506-V555 HydrophobicContact CB-CG2 3.73Å; M506-L592 HydrophobicContact CG-CD2 4.27Å; M506-L592 HydrophobicContact SD-CD2 3.67Å
507A85.9Confident86.3Confident93 Ų9344.8 Ų44.877%0.76925%0.251SS*.PPolyproline II helixtrans-76.3144167.500000110.7V555A507-V555 WeakPolarHBondContact O-CG2 3.41Å
508F87.4Confident86.3Confident35 Ų3552 Ų5215%0.15429%0.289CS..PPolyproline II helixtrans-90.3123.2176.5179.8-89.2000110.7L512 F513 F550 R551 N552 V555F508-L512 HydrophobicContact CD2-CB 4.19Å; F508-L512 HydrophobicContact CD2-CD1 4.01Å; F508-L512 HydrophobicContact CE2-CB 3.72Å; F508-L512 HydrophobicContact CE2-CD1 4.37Å; F508-L512 HydrophobicContact CZ-CB 4.18Å; F508-F513 AromaticContact CE1-CD2 3.9Å; F508-F513 HydrophobicContact CE1-CD2 3.9Å; F508-F513 HydrophobicContact CE1-CE1 4.29Å; F508-F513 AromaticContact CE1-CE2 3.42Å; F508-F513 HydrophobicContact CE1-CE2 3.42Å; F508-F513 VanDerWaalsContact CE1-CE2 3.42Å; F508-F513 AromaticContact CE1-CZ 3.65Å; F508-F513 HydrophobicContact CE1-CZ 3.65Å; F508-F513 AromaticContact CZ-CD1 3.91Å; F508-F513 HydrophobicContact CZ-CD1 3.91Å; F508-F513 AromaticContact CZ-CD2 3.78Å; F508-F513 HydrophobicContact CZ-CD2 3.78Å; F508-F513 AromaticContact CZ-CE1 3.71Å; F508-F513 HydrophobicContact CZ-CE1 3.71Å; F508-F513 AromaticContact CZ-CE2 3.59Å; F508-F513 HydrophobicContact CZ-CE2 3.59Å; F508-F513 AromaticContact CZ-CG 3.95Å; F508-F513 HydrophobicContact CZ-CG 3.95Å; F508-F513 AromaticContact CZ-CZ 3.55Å; F508-F513 HydrophobicContact CZ-CZ 3.55Å; F508-F550 HydrophobicContact CE2-CB 4.06Å; F508-R551 VanDerWaalsContact CD2-O 3.29Å; F508-R551 WeakPolarHBondContact CD2-O 3.04Å; F508-N552 HydrophobicContact CD1-CB 3.74Å; F508-N552 HydrophobicContact CE1-CB 4.07Å; F508-N552 HydrophobicContact CG-CB 4.02Å; F508-V555 HydrophobicContact CB-CG2 4.13Å; F508-V555 HydrophobicContact CD2-CG2 4.38Å
509S86.3Confident86.2Confident35 Ų3555.7 Ų55.725%0.24531%0.306CS..PPolyproline II helixtrans-97158.9171.573.20000111.2D511 L512 E519S509-D511 PolarHBondContact O-N 2.97Å; S509-L512 PolarHBondContact O-N 2.83Å; S509-E519 VanDerWaalsContact CB-OE2 3.26Å; S509-E519 WeakPolarHBondContact CB-OE2 3.25Å; S509-E519 PolarHBondContact OG-OE2 3.22Å
510N82.1Confident86.1Confident129 Ų12955.8 Ų55.869%0.6931%0.307SS*.G310 helixtrans-66.6-26.4175.5-68.2-32000112.6L512 F513N510-L512 PolarHBondContact O-N 3.36Å; N510-F513 WeakPolarHBondContact O-CB 3.45Å; N510-F513 PolarHBondContact O-N 3.39Å
511D83.3Confident86.2Confident85 Ų8561.2 Ų61.246%0.45533%0.326SS..G310 helixtrans-67.2-22.8179.7-751.5000112.1S509 F513 N514 S517 E519S509-D511 PolarHBondContact O-N 2.97Å; D511-F513 PolarHBondContact O-N 2.83Å; D511-N514 PolarHBondContact O-N 2.91Å; D511-S517 WeakPolarHBondContact O-CB 3.14Å; D511-S517 PolarHBondContact O-OG 3.46Å; D511-E519 HydrophobicContact CB-CB 4.3Å; D511-E519 HydrophobicContact CB-CG 4.36Å
512L86.3Confident86.2Confident6 Ų663.3 Ų63.33%0.03134%0.344CS..G310 helixtrans-69.5-6.9171.1-66.1178.1000114.2F508 S509 N510 E519 Y520 L523 F550 V555F508-L512 HydrophobicContact CD2-CB 4.19Å; F508-L512 HydrophobicContact CD2-CD1 4.01Å; F508-L512 HydrophobicContact CE2-CB 3.72Å; F508-L512 HydrophobicContact CE2-CD1 4.37Å; F508-L512 HydrophobicContact CZ-CB 4.18Å; S509-L512 PolarHBondContact O-N 2.83Å; N510-L512 PolarHBondContact O-N 3.36Å; L512-E519 HydrophobicContact CD2-CB 4.2Å; L512-Y520 WeakPolarHBondContact O-CD2 3.43Å; L512-L523 HydrophobicContact CD1-CD2 4.25Å; L512-L523 HydrophobicContact CD2-CB 4.4Å; L512-L523 HydrophobicContact CD2-CD2 3.93Å; L512-F550 HydrophobicContact CB-CB 4.05Å; L512-F550 HydrophobicContact CB-CD2 4.2Å; L512-F550 HydrophobicContact CB-CG 4.43Å; L512-F550 HydrophobicContact CD2-CD2 3.91Å; L512-F550 HydrophobicContact CD2-CE2 4.23Å; L512-F550 HydrophobicContact CD2-CG 4.46Å; L512-V555 HydrophobicContact CD1-CG1 4.14Å; L512-V555 HydrophobicContact CD1-CG2 3.8Å
513F80.1Confident86.1Confident97 Ų9760.5 Ų60.543%0.42533%0.334SS..G310 helixtrans-80.5-20.4165.7-72.9-59.9000113.3F508 N510 D511F508-F513 AromaticContact CE1-CD2 3.9Å; F508-F513 HydrophobicContact CE1-CD2 3.9Å; F508-F513 HydrophobicContact CE1-CE1 4.29Å; F508-F513 AromaticContact CE1-CE2 3.42Å; F508-F513 HydrophobicContact CE1-CE2 3.42Å; F508-F513 VanDerWaalsContact CE1-CE2 3.42Å; F508-F513 AromaticContact CE1-CZ 3.65Å; F508-F513 HydrophobicContact CE1-CZ 3.65Å; F508-F513 AromaticContact CZ-CD1 3.91Å; F508-F513 HydrophobicContact CZ-CD1 3.91Å; F508-F513 AromaticContact CZ-CD2 3.78Å; F508-F513 HydrophobicContact CZ-CD2 3.78Å; F508-F513 AromaticContact CZ-CE1 3.71Å; F508-F513 HydrophobicContact CZ-CE1 3.71Å; F508-F513 AromaticContact CZ-CE2 3.59Å; F508-F513 HydrophobicContact CZ-CE2 3.59Å; F508-F513 AromaticContact CZ-CG 3.95Å; F508-F513 HydrophobicContact CZ-CG 3.95Å; F508-F513 AromaticContact CZ-CZ 3.55Å; F508-F513 HydrophobicContact CZ-CZ 3.55Å; N510-F513 WeakPolarHBondContact O-CB 3.45Å; N510-F513 PolarHBondContact O-N 3.39Å; D511-F513 PolarHBondContact O-N 2.83Å
514N73.7Confident86.2Confident65 Ų6562.9 Ų62.935%0.34835%0.345SS..  trans-107.4111.8-170.7-178.6-22.5000111.1D511 S516 S517 Y520 G655D511-N514 PolarHBondContact O-N 2.91Å; N514-S516 PolarHBondContact O-N 3.43Å; N514-S516 WeakPolarHBondContact OD1-CA 3.18Å; N514-S516 VanDerWaalsContact OD1-CB 3.32Å; N514-S516 WeakPolarHBondContact OD1-CB 3.4Å; N514-S516 PolarHBondContact OD1-N 2.92Å; N514-S517 WeakPolarHBondContact O-CB 3.31Å; N514-S517 PolarHBondContact O-N 3.08Å; N514-S517 PolarHBondContact O-OG 3.11Å; N514-Y520 VanDerWaalsContact O-CB 3.25Å; N514-Y520 WeakPolarHBondContact O-CB 3.39Å; N514-G655 WeakPolarHBondContact CA-O 3.34Å; N514-G655 PolarHBondContact OD1-O 3.07Å
515K82.1Confident86.3Confident56 Ų5667.6 Ų67.624%0.24336%0.361CS..THydrogen-bonded Turntrans-64.9-8.6179.9-64.3-153.8-178.6-152.30115.2Y520 R521 I547 L548 P654 G655K515-Y520 HydrophobicContact CB-CD1 4.16Å; K515-Y520 HydrophobicContact CB-CE1 4.09Å; K515-Y520 HydrophobicContact CD-CE1 3.98Å; K515-Y520 HydrophobicContact CD-CE2 4.35Å; K515-Y520 VanDerWaalsContact CE-OH 3.25Å; K515-Y520 WeakPolarHBondContact CE-OH 3.27Å; K515-Y520 HydrophobicContact CG-CD1 4.18Å; K515-Y520 HydrophobicContact CG-CD2 4.18Å; K515-Y520 HydrophobicContact CG-CE1 3.75Å; K515-Y520 HydrophobicContact CG-CE2 3.77Å; K515-Y520 HydrophobicContact CG-CG 4.43Å; K515-Y520 PolarHBondContact NZ-OH 3.47Å; K515-Y520 VanDerWaalsContact NZ-OH 3.1Å; K515-R521 PolarHBondContact O-NE 2.8Å; K515-I547 PolarHBondContact NZ-O 3.5Å; K515-L548 WeakPolarHBondContact CE-O 3.41Å; K515-L548 PolarHBondContact NZ-O 2.87Å; K515-P654 VanDerWaalsContact CD-O 3.3Å; K515-P654 WeakPolarHBondContact CD-O 3.29Å; K515-P654 WeakPolarHBondContact CE-O 3.37Å; K515-P654 VanDerWaalsContact CG-O 3.25Å; K515-P654 WeakPolarHBondContact CG-O 3.35Å; K515-G655 PolarHBondContact N-O 2.86Å
516S81.1Confident86.4Confident64 Ų6467.7 Ų67.745%0.44836%0.359SS..THydrogen-bonded Turntrans-97.4-5.7173.3-56.20000113.8N514 T656N514-S516 PolarHBondContact O-N 3.43Å; N514-S516 WeakPolarHBondContact OD1-CA 3.18Å; N514-S516 VanDerWaalsContact OD1-CB 3.32Å; N514-S516 WeakPolarHBondContact OD1-CB 3.4Å; N514-S516 PolarHBondContact OD1-N 2.92Å; S516-T656 VanDerWaalsContact OG-CG2 3.28Å; S516-T656 WeakPolarHBondContact OG-CG2 3.26Å
517S87.4Confident86.5Confident14 Ų1465.3 Ų65.310%0.09835%0.348CS..SBendtrans-69.1156.8174.578.80000111.7D511 N514 Y520 R521D511-S517 WeakPolarHBondContact O-CB 3.14Å; D511-S517 PolarHBondContact O-OG 3.46Å; N514-S517 WeakPolarHBondContact O-CB 3.31Å; N514-S517 PolarHBondContact O-N 3.08Å; N514-S517 PolarHBondContact O-OG 3.11Å; S517-Y520 VanDerWaalsContact OG-CB 3.23Å; S517-Y520 WeakPolarHBondContact OG-CB 3.45Å; S517-Y520 PolarHBondContact OG-N 3.45Å; S517-R521 WeakPolarHBondContact O-CG 3.45Å; S517-R521 PolarHBondContact O-N 2.92Å
518L89.1Confident86.8Confident153 Ų15362.7 Ų62.780%0.80132%0.322SS*.Hα-helixtrans-65.9-43.1173.4-166.284.5000110.5R521 A522L518-R521 PolarHBondContact O-N 3.22Å; L518-A522 VanDerWaalsContact O-CB 3.29Å; L518-A522 WeakPolarHBondContact O-CB 3.45Å; L518-A522 PolarHBondContact O-N 3.03Å
519E89.1Confident86.9Confident94 Ų9468.2 Ų68.244%0.43935%0.348SS..Hα-helixtrans-63.7-45.1-176.6-59.3-165.1161.200112.2S509 D511 L512 R521 A522 L523S509-E519 VanDerWaalsContact CB-OE2 3.26Å; S509-E519 WeakPolarHBondContact CB-OE2 3.25Å; S509-E519 PolarHBondContact OG-OE2 3.22Å; D511-E519 HydrophobicContact CB-CB 4.3Å; D511-E519 HydrophobicContact CB-CG 4.36Å; L512-E519 HydrophobicContact CD2-CB 4.2Å; E519-R521 VanDerWaalsContact C-N 3.34Å; E519-R521 PolarHBondContact O-N 3.39Å; E519-A522 PolarHBondContact O-N 2.85Å; E519-L523 WeakPolarHBondContact O-CB 3.29Å; E519-L523 PolarHBondContact O-N 3.36Å
520Y90.2Very high86.8Confident2 Ų267.9 Ų67.91%0.00834%0.343CS..Hα-helixtrans-57.7-49176-179.8-76.3000110.7L512 N514 K515 S517 L523 E524 I547 F550L512-Y520 WeakPolarHBondContact O-CD2 3.43Å; N514-Y520 VanDerWaalsContact O-CB 3.25Å; N514-Y520 WeakPolarHBondContact O-CB 3.39Å; K515-Y520 HydrophobicContact CB-CD1 4.16Å; K515-Y520 HydrophobicContact CB-CE1 4.09Å; K515-Y520 HydrophobicContact CD-CE1 3.98Å; K515-Y520 HydrophobicContact CD-CE2 4.35Å; K515-Y520 VanDerWaalsContact CE-OH 3.25Å; K515-Y520 WeakPolarHBondContact CE-OH 3.27Å; K515-Y520 HydrophobicContact CG-CD1 4.18Å; K515-Y520 HydrophobicContact CG-CD2 4.18Å; K515-Y520 HydrophobicContact CG-CE1 3.75Å; K515-Y520 HydrophobicContact CG-CE2 3.77Å; K515-Y520 HydrophobicContact CG-CG 4.43Å; K515-Y520 PolarHBondContact NZ-OH 3.47Å; K515-Y520 VanDerWaalsContact NZ-OH 3.1Å; S517-Y520 VanDerWaalsContact OG-CB 3.23Å; S517-Y520 WeakPolarHBondContact OG-CB 3.45Å; S517-Y520 PolarHBondContact OG-N 3.45Å; Y520-L523 PolarHBondContact O-N 2.85Å; Y520-E524 HydrophobicContact CD1-CB 4.41Å; Y520-E524 HydrophobicContact CE1-CB 4.08Å; Y520-E524 VanDerWaalsContact CE1-CD 3.41Å; Y520-E524 HydrophobicContact CE1-CG 4.32Å; Y520-E524 WeakPolarHBondContact CE1-OE1 3.42Å; Y520-E524 VanDerWaalsContact O-CB 3.22Å; Y520-E524 WeakPolarHBondContact O-CB 3.29Å; Y520-E524 PolarHBondContact O-N 3.02Å; Y520-E524 PolarHBondContact OH-OE1 2.86Å; Y520-I547 PolarHBondContact OH-O 3.42Å; Y520-F550 HydrophobicContact CD1-CE2 4.44Å; Y520-F550 AromaticContact CD2-CD2 3.42Å; Y520-F550 HydrophobicContact CD2-CD2 3.42Å; Y520-F550 VanDerWaalsContact CD2-CD2 3.42Å; Y520-F550 AromaticContact CD2-CE2 3.53Å; Y520-F550 HydrophobicContact CD2-CE2 3.53Å; Y520-F550 HydrophobicContact CE1-CE2 4.44Å; Y520-F550 AromaticContact CE2-CD2 3.46Å; Y520-F550 HydrophobicContact CE2-CD2 3.46Å; Y520-F550 VanDerWaalsContact CE2-CD2 3.46Å; Y520-F550 AromaticContact CE2-CE2 3.52Å; Y520-F550 HydrophobicContact CE2-CE2 3.52Å; Y520-F550 HydrophobicContact CG-CD2 4.24Å; Y520-F550 AromaticContact CG-CE2 3.95Å; Y520-F550 HydrophobicContact CG-CE2 3.95Å; Y520-F550 AromaticContact CZ-CE2 3.96Å
521R91.6Very high87.2Confident125 Ų12561.7 Ų61.747%0.47231%0.311SS..Hα-helixtrans-70-39.7-175.3-69.4175.6177.9-170.70.5112.4K515 S517 L518 E519 Q525K515-R521 PolarHBondContact O-NE 2.8Å; S517-R521 WeakPolarHBondContact O-CG 3.45Å; S517-R521 PolarHBondContact O-N 2.92Å; L518-R521 PolarHBondContact O-N 3.22Å; E519-R521 VanDerWaalsContact C-N 3.34Å; E519-R521 PolarHBondContact O-N 3.39Å; R521-Q525 WeakPolarHBondContact O-CB 3.37Å; R521-Q525 VanDerWaalsContact O-CG 3.23Å; R521-Q525 WeakPolarHBondContact O-CG 3.08Å; R521-Q525 PolarHBondContact O-N 2.9Å
522A90.9Very high87.6Confident50 Ų5059 Ų5941%0.41330%0.297SS..Hα-helixtrans-62.5-45.4175.400000111.1L518 E519 Q525 Q526L518-A522 VanDerWaalsContact O-CB 3.29Å; L518-A522 WeakPolarHBondContact O-CB 3.45Å; L518-A522 PolarHBondContact O-N 3.03Å; E519-A522 PolarHBondContact O-N 2.85Å; A522-Q525 PolarHBondContact O-N 3.32Å; A522-Q526 WeakPolarHBondContact O-CB 3.48Å; A522-Q526 PolarHBondContact O-N 3.31Å
523L90.6Very high87.9Confident11 Ų1162.3 Ų62.36%0.05832%0.319CS..Hα-helixtrans-71.4-39179.6-173.756.3000112.7M506 L512 E519 Y520 Q525 Q526 F527 F550 V555M506-L523 HydrophobicContact CE-CD1 3.85Å; M506-L523 HydrophobicContact CE-CD2 3.87Å; M506-L523 HydrophobicContact CE-CG 4.49Å; M506-L523 HydrophobicContact SD-CD1 3.88Å; M506-L523 HydrophobicContact SD-CD2 4.31Å; L512-L523 HydrophobicContact CD1-CD2 4.25Å; L512-L523 HydrophobicContact CD2-CB 4.4Å; L512-L523 HydrophobicContact CD2-CD2 3.93Å; E519-L523 WeakPolarHBondContact O-CB 3.29Å; E519-L523 PolarHBondContact O-N 3.36Å; Y520-L523 PolarHBondContact O-N 2.85Å; L523-Q525 VanDerWaalsContact C-N 3.33Å; L523-Q525 PolarHBondContact O-N 3.09Å; L523-Q526 PolarHBondContact O-N 2.99Å; L523-F527 VanDerWaalsContact O-CB 3.23Å; L523-F527 WeakPolarHBondContact O-CB 3.25Å; L523-F527 PolarHBondContact O-N 2.93Å; L523-F550 HydrophobicContact CB-CE2 4.39Å; L523-F550 HydrophobicContact CB-CZ 4Å; L523-F550 HydrophobicContact CD2-CD1 4.09Å; L523-F550 HydrophobicContact CD2-CE1 3.7Å; L523-F550 HydrophobicContact CD2-CE2 4.36Å; L523-F550 HydrophobicContact CD2-CZ 3.86Å; L523-F550 HydrophobicContact CG-CE1 3.86Å; L523-F550 HydrophobicContact CG-CE2 4.46Å; L523-F550 HydrophobicContact CG-CZ 3.72Å; L523-V555 HydrophobicContact CD2-CG1 3.84Å
524E91.4Very high88.2Confident53 Ų5360.1 Ų60.125%0.24831%0.308CS..Hα-helixtrans-60-42.8172.8-178.3173.5-106.100111.1Y520 T528 I547 F550Y520-E524 HydrophobicContact CD1-CB 4.41Å; Y520-E524 HydrophobicContact CE1-CB 4.08Å; Y520-E524 VanDerWaalsContact CE1-CD 3.41Å; Y520-E524 HydrophobicContact CE1-CG 4.32Å; Y520-E524 WeakPolarHBondContact CE1-OE1 3.42Å; Y520-E524 VanDerWaalsContact O-CB 3.22Å; Y520-E524 WeakPolarHBondContact O-CB 3.29Å; Y520-E524 PolarHBondContact O-N 3.02Å; Y520-E524 PolarHBondContact OH-OE1 2.86Å; E524-T528 WeakPolarHBondContact O-CB 3.47Å; E524-T528 VanDerWaalsContact O-CG2 3.26Å; E524-T528 WeakPolarHBondContact O-CG2 3.15Å; E524-T528 PolarHBondContact O-N 2.75Å; E524-T528 PolarHBondContact O-OG1 2.79Å; E524-I547 HydrophobicContact CG-CB 4.08Å; E524-I547 HydrophobicContact CG-CG1 3.95Å; E524-F550 HydrophobicContact CB-CZ 4.44Å
525Q90.9Very high89.1Confident133 Ų13357 Ų5762%0.62129%0.292SS*.Hα-helixtrans-65.7-50.5174.4-74.91761.900112.1R521 A522 L523 F527 T528 Q529R521-Q525 WeakPolarHBondContact O-CB 3.37Å; R521-Q525 VanDerWaalsContact O-CG 3.23Å; R521-Q525 WeakPolarHBondContact O-CG 3.08Å; R521-Q525 PolarHBondContact O-N 2.9Å; A522-Q525 PolarHBondContact O-N 3.32Å; L523-Q525 VanDerWaalsContact C-N 3.33Å; L523-Q525 PolarHBondContact O-N 3.09Å; Q525-F527 VanDerWaalsContact C-N 3.31Å; Q525-F527 PolarHBondContact O-N 3.31Å; Q525-T528 PolarHBondContact O-N 2.82Å; Q525-T528 PolarHBondContact O-OG1 3.04Å; Q525-Q529 WeakPolarHBondContact O-CB 3.34Å; Q525-Q529 PolarHBondContact O-N 3.23Å
526Q88.5Confident89.5Confident70 Ų7062.1 Ų62.133%0.32731%0.309SS..Hα-helixtrans-55.5-46.1178.4-176.7-178.2-5.100111.7A522 L523 L590A522-Q526 WeakPolarHBondContact O-CB 3.48Å; A522-Q526 PolarHBondContact O-N 3.31Å; L523-Q526 PolarHBondContact O-N 2.99Å; Q526-L590 HydrophobicContact CG-CD1 4.34Å; Q526-L590 HydrophobicContact CG-CD2 3.76Å; Q526-L590 WeakPolarHBondContact O-CD1 3.3Å
527F89.6Confident89.8Confident2 Ų263.4 Ų63.41%0.00932%0.318CS..Hα-helixtrans-70.8-44-178.4-170-104.4000112.4L501 L523 Q525 L531 I547 V557 F582 L592L501-F527 HydrophobicContact CD1-CE2 3.79Å; L501-F527 HydrophobicContact CD1-CZ 3.83Å; L501-F527 HydrophobicContact CD2-CE1 4.22Å; L501-F527 HydrophobicContact CD2-CE2 4.36Å; L501-F527 HydrophobicContact CD2-CZ 3.54Å; L501-F527 HydrophobicContact CG-CZ 4.29Å; L523-F527 VanDerWaalsContact O-CB 3.23Å; L523-F527 WeakPolarHBondContact O-CB 3.25Å; L523-F527 PolarHBondContact O-N 2.93Å; Q525-F527 VanDerWaalsContact C-N 3.31Å; Q525-F527 PolarHBondContact O-N 3.31Å; F527-L531 HydrophobicContact CD1-CD2 4.37Å; F527-L531 HydrophobicContact CE1-CB 4.5Å; F527-L531 HydrophobicContact CE1-CD2 3.44Å; F527-L531 VanDerWaalsContact CE1-CD2 3.44Å; F527-L531 HydrophobicContact CZ-CD2 3.55Å; F527-L531 WeakPolarHBondContact O-CB 3.21Å; F527-L531 PolarHBondContact O-N 3.39Å; F527-L531 VanDerWaalsContact O-N 3.08Å; F527-I547 HydrophobicContact CD1-CD1 3.79Å; F527-I547 HydrophobicContact CE1-CD1 4.08Å; F527-V557 HydrophobicContact CD1-CG1 4.12Å; F527-V557 HydrophobicContact CE1-CG1 4.03Å; F527-F582 HydrophobicContact CE2-CE1 4.09Å; F527-F582 HydrophobicContact CZ-CE1 4.37Å; F527-L592 HydrophobicContact CD2-CD1 4.22Å
528T91.3Very high89.9Confident37 Ų3765.2 Ų65.223%0.22733%0.327CS..Hα-helixtrans-70.7-30.8178.354.70000113E524 Q525 L530 V532 L545 I547E524-T528 WeakPolarHBondContact O-CB 3.47Å; E524-T528 VanDerWaalsContact O-CG2 3.26Å; E524-T528 WeakPolarHBondContact O-CG2 3.15Å; E524-T528 PolarHBondContact O-N 2.75Å; E524-T528 PolarHBondContact O-OG1 2.79Å; Q525-T528 PolarHBondContact O-N 2.82Å; Q525-T528 PolarHBondContact O-OG1 3.04Å; T528-L530 VanDerWaalsContact C-N 3.29Å; T528-L530 PolarHBondContact O-N 2.89Å; T528-V532 HydrophobicContact CG2-CG2 4.47Å; T528-V532 VanDerWaalsContact O-CB 3.28Å; T528-V532 WeakPolarHBondContact O-CB 3.27Å; T528-V532 WeakPolarHBondContact O-CG2 3.49Å; T528-V532 PolarHBondContact O-N 2.92Å; T528-L545 HydrophobicContact CG2-CD2 4.22Å; T528-I547 HydrophobicContact CG2-CD1 4.14Å; T528-I547 HydrophobicContact CG2-CG1 3.8Å
529Q88.6Confident89.9Confident151 Ų15158.1 Ų58.171%0.70629%0.29SS*.Hα-helixtrans-58.7-37.6178.9-176.8176.316.700112.5Q525 P533Q525-Q529 WeakPolarHBondContact O-CB 3.34Å; Q525-Q529 PolarHBondContact O-N 3.23Å; Q529-P533 WeakPolarHBondContact O-CD 3.35Å; Q529-P533 VanDerWaalsContact O-CG 3.31Å; Q529-P533 WeakPolarHBondContact O-CG 3.44Å
530L85.4Confident89.8Confident28 Ų2858.3 Ų58.315%0.14730%0.297CS..Hα-helixtrans-90.7-44.7175.4-162.376.3000112.7T528 P533 Y534 F582 Q589 L590T528-L530 VanDerWaalsContact C-N 3.29Å; T528-L530 PolarHBondContact O-N 2.89Å; L530-P533 WeakPolarHBondContact O-CD 3.29Å; L530-Y534 WeakPolarHBondContact O-CB 2.93Å; L530-Y534 PolarHBondContact O-N 2.98Å; L530-F582 HydrophobicContact CB-CE2 4.37Å; L530-F582 HydrophobicContact CD2-CE2 3.68Å; L530-F582 HydrophobicContact CD2-CZ 4.06Å; L530-F582 HydrophobicContact CG-CE2 3.98Å; L530-Q589 HydrophobicContact CD1-CB 4.05Å; L530-Q589 HydrophobicContact CD2-CB 3.97Å; L530-L590 HydrophobicContact CB-CD1 3.68Å; L530-L590 HydrophobicContact CB-CG 4.19Å; L530-L590 HydrophobicContact CD2-CD1 3.98Å; L530-L590 HydrophobicContact CD2-CG 4.01Å; L530-L590 HydrophobicContact CG-CD1 4.44Å
531L90.6Very high89.7Confident0 Ų059.7 Ų59.70%031%0.312CS..Hα-helixtrans-72.7-33.5-171.8-173.258.3000113F499 F527 Y534 L535 L545 L579 F582F499-L531 HydrophobicContact CE2-CD2 4.25Å; F499-L531 HydrophobicContact CZ-CD2 3.91Å; F527-L531 HydrophobicContact CD1-CD2 4.37Å; F527-L531 HydrophobicContact CE1-CB 4.5Å; F527-L531 HydrophobicContact CE1-CD2 3.44Å; F527-L531 VanDerWaalsContact CE1-CD2 3.44Å; F527-L531 HydrophobicContact CZ-CD2 3.55Å; F527-L531 WeakPolarHBondContact O-CB 3.21Å; F527-L531 PolarHBondContact O-N 3.39Å; F527-L531 VanDerWaalsContact O-N 3.08Å; L531-Y534 PolarHBondContact O-N 3.21Å; L531-L535 HydrophobicContact CD1-CD1 4.02Å; L531-L535 HydrophobicContact CD1-CD2 4Å; L531-L535 HydrophobicContact CD1-CG 3.69Å; L531-L535 HydrophobicContact CD2-CD1 4.19Å; L531-L535 HydrophobicContact CG-CD1 3.69Å; L531-L535 HydrophobicContact CG-CG 3.9Å; L531-L535 WeakPolarHBondContact O-CB 3.22Å; L531-L535 VanDerWaalsContact O-CG 3.27Å; L531-L535 WeakPolarHBondContact O-CG 3.19Å; L531-L535 PolarHBondContact O-N 2.89Å; L531-L545 HydrophobicContact CB-CD2 4.21Å; L531-L545 HydrophobicContact CD2-CD2 3.8Å; L531-L545 HydrophobicContact CG-CD2 4Å; L531-L579 HydrophobicContact CD1-CD2 3.97Å; L531-L579 HydrophobicContact CD2-CD2 4.29Å; L531-F582 HydrophobicContact CB-CE1 4.39Å; L531-F582 HydrophobicContact CB-CE2 4.08Å; L531-F582 HydrophobicContact CB-CZ 3.78Å; L531-F582 HydrophobicContact CD1-CD1 3.91Å; L531-F582 HydrophobicContact CD1-CD2 3.76Å; L531-F582 HydrophobicContact CD1-CE1 3.89Å; L531-F582 HydrophobicContact CD1-CE2 3.74Å; L531-F582 HydrophobicContact CD1-CG 3.85Å; L531-F582 HydrophobicContact CD1-CZ 3.81Å; L531-F582 HydrophobicContact CG-CE1 4.48Å; L531-F582 HydrophobicContact CG-CE2 4.5Å; L531-F582 HydrophobicContact CG-CZ 4.27Å
532V92.1Very high89.8Confident28 Ų2854.8 Ų54.817%0.1729%0.294CS..Hα-helixtrans-66.1-46.2-179.6175.30000112.6T528 R536 F542 L545T528-V532 HydrophobicContact CG2-CG2 4.47Å; T528-V532 VanDerWaalsContact O-CB 3.28Å; T528-V532 WeakPolarHBondContact O-CB 3.27Å; T528-V532 WeakPolarHBondContact O-CG2 3.49Å; T528-V532 PolarHBondContact O-N 2.92Å; V532-R536 WeakPolarHBondContact O-CB 3.21Å; V532-R536 VanDerWaalsContact O-CG 3.28Å; V532-R536 WeakPolarHBondContact O-CG 3.26Å; V532-R536 PolarHBondContact O-N 3.29Å; V532-R536 VanDerWaalsContact O-N 3.11Å; V532-F542 HydrophobicContact CG1-CE1 4.38Å; V532-L545 HydrophobicContact CG2-CB 3.94Å; V532-L545 HydrophobicContact CG2-CD2 3.92Å
533P90.7Very high89.8Confident76 Ų7657.2 Ų57.249%0.49430%0.296SS..Hα-helixtrans-57.9-45169.4-2736000113Q529 L530 L535 R536 S537Q529-P533 WeakPolarHBondContact O-CD 3.35Å; Q529-P533 VanDerWaalsContact O-CG 3.31Å; Q529-P533 WeakPolarHBondContact O-CG 3.44Å; L530-P533 WeakPolarHBondContact O-CD 3.29Å; P533-L535 PolarHBondContact O-N 3.37Å; P533-R536 WeakPolarHBondContact O-CB 3.46Å; P533-R536 PolarHBondContact O-N 3.1Å; P533-R536 VanDerWaalsContact O-N 3.17Å; P533-S537 PolarHBondContact O-N 2.92Å; P533-S537 PolarHBondContact O-OG 2.88Å
534Y88.4Confident89.9Confident50 Ų5061 Ų6120%0.19631%0.313CS..Hα-helixtrans-65.3-40.2-176-165.1-86.7000113.1L530 L531 S537 N538 V578 D581 F582 A585L530-Y534 WeakPolarHBondContact O-CB 2.93Å; L530-Y534 PolarHBondContact O-N 2.98Å; L531-Y534 PolarHBondContact O-N 3.21Å; Y534-S537 PolarHBondContact O-OG 2.06Å; Y534-N538 WeakPolarHBondContact O-CB 3.36Å; Y534-N538 PolarHBondContact O-N 2.78Å; Y534-N538 PolarHBondContact O-ND2 3.04Å; Y534-V578 HydrophobicContact CD1-CG1 3.91Å; Y534-V578 HydrophobicContact CE1-CG1 3.73Å; Y534-V578 WeakPolarHBondContact CE1-O 3.43Å; Y534-D581 WeakPolarHBondContact OH-CB 3.3Å; Y534-D581 PolarHBondContact OH-O 2.92Å; Y534-F582 HydrophobicContact CD1-CB 4.09Å; Y534-F582 AromaticContact CD1-CD2 3.79Å; Y534-F582 HydrophobicContact CD1-CD2 3.79Å; Y534-F582 HydrophobicContact CD1-CG 4.36Å; Y534-F582 HydrophobicContact CD2-CD2 4.19Å; Y534-F582 HydrophobicContact CE1-CB 3.78Å; Y534-F582 HydrophobicContact CE1-CD2 4.19Å; Y534-F582 HydrophobicContact CE1-CG 4.48Å; Y534-F582 AromaticContact CG-CD2 3.79Å; Y534-F582 HydrophobicContact CG-CD2 3.79Å; Y534-F582 HydrophobicContact CG-CE2 4.43Å; Y534-A585 HydrophobicContact CE2-CB 4.13Å
535L92Very high90Very high0 Ų059.2 Ų59.20%031%0.305CS..Hα-helixtrans-68.4-37.1173.1-65.5172.7000111.5L531 P533 N538 L539 F542 L545 M561 V578L531-L535 HydrophobicContact CD1-CD1 4.02Å; L531-L535 HydrophobicContact CD1-CD2 4Å; L531-L535 HydrophobicContact CD1-CG 3.69Å; L531-L535 HydrophobicContact CD2-CD1 4.19Å; L531-L535 HydrophobicContact CG-CD1 3.69Å; L531-L535 HydrophobicContact CG-CG 3.9Å; L531-L535 WeakPolarHBondContact O-CB 3.22Å; L531-L535 VanDerWaalsContact O-CG 3.27Å; L531-L535 WeakPolarHBondContact O-CG 3.19Å; L531-L535 PolarHBondContact O-N 2.89Å; P533-L535 PolarHBondContact O-N 3.37Å; L535-N538 PolarHBondContact O-N 3.39Å; L535-L539 HydrophobicContact CD2-CD1 3.75Å; L535-L539 WeakPolarHBondContact O-CB 3.33Å; L535-L539 PolarHBondContact O-N 2.89Å; L535-F542 HydrophobicContact CB-CD1 4.41Å; L535-F542 HydrophobicContact CB-CD2 4.01Å; L535-F542 HydrophobicContact CB-CE1 4.35Å; L535-F542 HydrophobicContact CB-CE2 3.93Å; L535-F542 HydrophobicContact CB-CG 4.24Å; L535-F542 HydrophobicContact CB-CZ 4.09Å; L535-F542 HydrophobicContact CD1-CD2 4.35Å; L535-F542 HydrophobicContact CD1-CE2 3.66Å; L535-F542 HydrophobicContact CD1-CZ 4.04Å; L535-F542 HydrophobicContact CG-CE2 4.44Å; L535-L545 HydrophobicContact CD1-CD1 4.47Å; L535-L545 HydrophobicContact CD1-CD2 4.28Å; L535-M561 HydrophobicContact CD1-CE 3.62Å; L535-M561 HydrophobicContact CD1-SD 3.85Å; L535-M561 HydrophobicContact CD2-CE 3.62Å; L535-M561 HydrophobicContact CD2-SD 4.11Å; L535-M561 HydrophobicContact CG-CE 4.3Å; L535-V578 HydrophobicContact CD2-CG1 4.01Å
536R90.2Very high89.9Confident164 Ų16455.9 Ų55.962%0.61929%0.29SS*.Hα-helixtrans-65.3-35.7176.9-79.3175.1173.6175.20.2113.4V532 P533 F542V532-R536 WeakPolarHBondContact O-CB 3.21Å; V532-R536 VanDerWaalsContact O-CG 3.28Å; V532-R536 WeakPolarHBondContact O-CG 3.26Å; V532-R536 PolarHBondContact O-N 3.29Å; V532-R536 VanDerWaalsContact O-N 3.11Å; P533-R536 WeakPolarHBondContact O-CB 3.46Å; P533-R536 PolarHBondContact O-N 3.1Å; P533-R536 VanDerWaalsContact O-N 3.17Å; R536-F542 HydrophobicContact CG-CD1 3.54Å; R536-F542 HydrophobicContact CG-CE1 3.73Å
537S87.8Confident90.1Very high90 Ų9052.8 Ų52.863%0.62928%0.275SS*.Hα-helixtrans-77.3-31.9177.456.10000113.4P533 Y534P533-S537 PolarHBondContact O-N 2.92Å; P533-S537 PolarHBondContact O-OG 2.88Å; Y534-S537 PolarHBondContact O-OG 2.06Å
538N88.3Confident89.9Confident53 Ų5353.8 Ų53.828%0.28328%0.281SS..Hα-helixtrans-104.4-19.8-170.4-66.2-69000115.1Y534 L535 V578Y534-N538 WeakPolarHBondContact O-CB 3.36Å; Y534-N538 PolarHBondContact O-N 2.78Å; Y534-N538 PolarHBondContact O-ND2 3.04Å; L535-N538 PolarHBondContact O-N 3.39Å; N538-V578 HydrophobicContact CB-CB 4.49Å; N538-V578 HydrophobicContact CB-CG1 3.78Å; N538-V578 HydrophobicContact CB-CG2 3.78Å
539L90.1Very high89.7Confident4 Ų452.7 Ų52.72%0.02127%0.273CS..SBendtrans-119.896.3-178.5-62.6176.9000112.5L535 G541 F542 M561 F563 Y569 A574 V575 V578L535-L539 HydrophobicContact CD2-CD1 3.75Å; L535-L539 WeakPolarHBondContact O-CB 3.33Å; L535-L539 PolarHBondContact O-N 2.89Å; L539-G541 PolarHBondContact O-N 2.89Å; L539-F542 HydrophobicContact CB-CB 4.29Å; L539-F542 VanDerWaalsContact O-CB 3.3Å; L539-F542 WeakPolarHBondContact O-CB 3.31Å; L539-F542 PolarHBondContact O-N 2.9Å; L539-F542 VanDerWaalsContact O-N 3.07Å; L539-M561 HydrophobicContact CD1-SD 4.44Å; L539-F563 HydrophobicContact CB-CE1 4Å; L539-F563 HydrophobicContact CD1-CE1 3.92Å; L539-F563 HydrophobicContact CD1-CZ 3.92Å; L539-Y569 HydrophobicContact CD2-CE2 4.42Å; L539-A574 HydrophobicContact CD2-CB 3.84Å; L539-V575 HydrophobicContact CD1-CG2 3.85Å; L539-V578 HydrophobicContact CD1-CG1 4.49Å; L539-V578 HydrophobicContact CD2-CB 4.26Å; L539-V578 HydrophobicContact CD2-CG2 3.68Å; L539-V578 HydrophobicContact CG-CB 4.36Å; L539-V578 HydrophobicContact CG-CG1 4.29Å; L539-V578 HydrophobicContact CG-CG2 4.08Å
540T86.8Confident89.7Confident97 Ų9745.5 Ų45.560%0.59524%0.24SC*.THydrogen-bonded Turntrans-56.1125177-44.90000111.1Y569T540-Y569 WeakPolarHBondContact O-CE1 3.47Å; T540-Y569 PolarHBondContact O-OH 3.3Å
541G87.7Confident89.6Confident31 Ų3147.2 Ų47.232%0.3224%0.244SC..THydrogen-bonded Turntrans90.22.2-178.900000115.3L539 F563 A564L539-G541 PolarHBondContact O-N 2.89Å; G541-F563 CarbonylContact O-C 3.59Å; G541-F563 VanDerWaalsContact O-CA 3.25Å; G541-F563 WeakPolarHBondContact O-CA 3.33Å; G541-A564 PolarHBondContact O-N 2.58Å
542F93.5Very high89.2Confident22 Ų2252.7 Ų52.710%0.09627%0.273CS..EExtended strand (participates in β ladder)trans-59.2138.3167.8172.5-90.4000111.6V532 L535 R536 L539 Q544 L545 M561 F563V532-F542 HydrophobicContact CG1-CE1 4.38Å; L535-F542 HydrophobicContact CB-CD1 4.41Å; L535-F542 HydrophobicContact CB-CD2 4.01Å; L535-F542 HydrophobicContact CB-CE1 4.35Å; L535-F542 HydrophobicContact CB-CE2 3.93Å; L535-F542 HydrophobicContact CB-CG 4.24Å; L535-F542 HydrophobicContact CB-CZ 4.09Å; L535-F542 HydrophobicContact CD1-CD2 4.35Å; L535-F542 HydrophobicContact CD1-CE2 3.66Å; L535-F542 HydrophobicContact CD1-CZ 4.04Å; L535-F542 HydrophobicContact CG-CE2 4.44Å; R536-F542 HydrophobicContact CG-CD1 3.54Å; R536-F542 HydrophobicContact CG-CE1 3.73Å; L539-F542 HydrophobicContact CB-CB 4.29Å; L539-F542 VanDerWaalsContact O-CB 3.3Å; L539-F542 WeakPolarHBondContact O-CB 3.31Å; L539-F542 PolarHBondContact O-N 2.9Å; L539-F542 VanDerWaalsContact O-N 3.07Å; F542-Q544 WeakPolarHBondContact CE2-O 3.2Å; F542-L545 HydrophobicContact CE2-CB 4.19Å; F542-L545 HydrophobicContact CZ-CB 3.84Å; F542-M561 HydrophobicContact CD2-SD 4.47Å; F542-M561 HydrophobicContact CE2-CB 4.46Å; F542-M561 HydrophobicContact CE2-CG 4.41Å; F542-M561 HydrophobicContact CE2-SD 4.39Å; F542-F563 VanDerWaalsContact CA-CD1 3.44Å; F542-F563 HydrophobicContact CB-CD1 3.94Å; F542-F563 HydrophobicContact CB-CE1 3.77Å; F542-F563 AromaticContact CD2-CE1 3.96Å; F542-F563 HydrophobicContact CD2-CE1 3.96Å; F542-F563 HydrophobicContact CD2-CZ 4.11Å; F542-F563 HydrophobicContact CG-CE1 4.37Å
543K91.2Very high88.3Confident102 Ų10253 Ų5344%0.44328%0.282SS..EExtended strand (participates in β ladder)trans-114.5-56.2178.2-69.4-175.7160.8-163.70112.8E494 K562E494-K543 WeakPolarHBondContact OE1-CD 3.27Å; E494-K543 IonicContact OE1-NZ 3.63Å; E494-K543 PolarHBondContact OE1-NZ 2.04Å; K543-K562 WeakPolarHBondContact CA-O 3.41Å; K543-K562 WeakPolarHBondContact CB-O 3.22Å; K543-K562 PolarHBondContact N-O 2.83Å
544Q91.9Very high87.5Confident90 Ų9050.9 Ų50.942%0.42127%0.269SS..EExtended strand (participates in β ladder)trans-144.9143.1-168.8-173.717724.400111.1F542 M561 K562F542-Q544 WeakPolarHBondContact CE2-O 3.2Å; Q544-M561 CarbonylContact O-C 3.52Å; Q544-M561 WeakPolarHBondContact O-CA 3.04Å; Q544-K562 HydrophobicContact CB-CB 4.27Å; Q544-K562 HydrophobicContact CB-CD 4.36Å; Q544-K562 PolarHBondContact N-O 3.28Å; Q544-K562 PolarHBondContact O-N 2.98Å
545L93.4Very high87.6Confident16 Ų1648.5 Ų48.58%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-109.9142.5161175.666.5000107.8F499 T528 L531 V532 L535 F542 I547 K560 M561F499-L545 HydrophobicContact CE1-CD1 3.6Å; F499-L545 HydrophobicContact CZ-CD1 3.74Å; T528-L545 HydrophobicContact CG2-CD2 4.22Å; L531-L545 HydrophobicContact CB-CD2 4.21Å; L531-L545 HydrophobicContact CD2-CD2 3.8Å; L531-L545 HydrophobicContact CG-CD2 4Å; V532-L545 HydrophobicContact CG2-CB 3.94Å; V532-L545 HydrophobicContact CG2-CD2 3.92Å; L535-L545 HydrophobicContact CD1-CD1 4.47Å; L535-L545 HydrophobicContact CD1-CD2 4.28Å; F542-L545 HydrophobicContact CE2-CB 4.19Å; F542-L545 HydrophobicContact CZ-CB 3.84Å; L545-I547 HydrophobicContact CD1-CD1 4.34Å; L545-I547 HydrophobicContact CD2-CD1 4.14Å; L545-I547 HydrophobicContact CG-CD1 4.1Å; L545-K560 CarbonylContact C-O 3.49Å; L545-M561 HydrophobicContact CD1-CG 4.11Å
546E90.6Very high87.5Confident63 Ų6350.7 Ų50.729%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-138.3120.7-179.5-176.9-176.314800107.8S559 K560 K562E546-S559 WeakPolarHBondContact O-CA 3.44Å; E546-K560 HydrophobicContact CB-CB 4.3Å; E546-K560 PolarHBondContact N-O 2.83Å; E546-K560 PolarHBondContact O-N 3.33Å; E546-K560 IonicContact OE1-NZ 3.27Å; E546-K562 WeakPolarHBondContact OE2-CE 3.33Å; E546-K562 IonicContact OE2-NZ 2.71Å; E546-K562 PolarHBondContact OE2-NZ 2.89Å
547I91Very high87.5Confident5 Ų543 Ų433%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-85.6118.8178.4-50.1-54.4000108.3K515 Y520 E524 F527 T528 L545 F550 V557 S559K515-I547 PolarHBondContact NZ-O 3.5Å; Y520-I547 PolarHBondContact OH-O 3.42Å; E524-I547 HydrophobicContact CG-CB 4.08Å; E524-I547 HydrophobicContact CG-CG1 3.95Å; F527-I547 HydrophobicContact CD1-CD1 3.79Å; F527-I547 HydrophobicContact CE1-CD1 4.08Å; T528-I547 HydrophobicContact CG2-CD1 4.14Å; T528-I547 HydrophobicContact CG2-CG1 3.8Å; L545-I547 HydrophobicContact CD1-CD1 4.34Å; L545-I547 HydrophobicContact CD2-CD1 4.14Å; L545-I547 HydrophobicContact CG-CD1 4.1Å; I547-F550 HydrophobicContact CG2-CE1 4.36Å; I547-F550 HydrophobicContact CG2-CZ 4.19Å; I547-V557 HydrophobicContact CD1-CG1 4.3Å; I547-V557 HydrophobicContact CG2-CG1 3.87Å; I547-S559 VanDerWaalsContact CD1-OG 3.31Å; I547-S559 WeakPolarHBondContact CD1-OG 3.47Å
548L86.6Confident87.7Confident23 Ų2338.7 Ų38.712%0.1221%0.212CC..EExtended strand (participates in β ladder)trans-80.1-47.2-172.9-62.4179.3000111.3F498 K515 N558 K560 F612F498-L548 HydrophobicContact CD1-CD1 3.81Å; F498-L548 HydrophobicContact CE1-CD1 3.96Å; K515-L548 WeakPolarHBondContact CE-O 3.41Å; K515-L548 PolarHBondContact NZ-O 2.87Å; L548-N558 HydrophobicContact CB-CB 4.33Å; L548-N558 WeakPolarHBondContact CB-O 3.44Å; L548-N558 PolarHBondContact N-O 3.49Å; L548-K560 HydrophobicContact CD1-CB 4.17Å; L548-K560 HydrophobicContact CD2-CB 3.91Å; L548-K560 HydrophobicContact CD2-CD 4.04Å; L548-K560 HydrophobicContact CG-CB 4.07Å; L548-F612 HydrophobicContact CD1-CB 3.98Å
549N86.1Confident87.8Confident13 Ų1336.2 Ų36.27%0.0720%0.199CC..EExtended strand (participates in β ladder)trans-174.9163.6-179.654.592000109.9N558 F612 L613 A614N549-N558 PolarHBondContact O-N 2.7Å; N549-N558 PolarHBondContact OD1-ND2 3.48Å; N549-F612 PolarHBondContact ND2-O 2.81Å; N549-L613 WeakPolarHBondContact ND2-CA 3.46Å; N549-A614 HydrophobicContact CB-CB 4.29Å; N549-A614 PolarHBondContact ND2-N 3.17Å; N549-A614 WeakPolarHBondContact OD1-CB 3.25Å; N549-A614 PolarHBondContact OD1-N 2.71Å
550F89.1Confident87.8Confident1 Ų136.7 Ų36.70%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-99.3149.8161.7-56-74.8000109.9F508 L512 Y520 L523 E524 I547 V555 I556 V557F508-F550 HydrophobicContact CE2-CB 4.06Å; L512-F550 HydrophobicContact CB-CB 4.05Å; L512-F550 HydrophobicContact CB-CD2 4.2Å; L512-F550 HydrophobicContact CB-CG 4.43Å; L512-F550 HydrophobicContact CD2-CD2 3.91Å; L512-F550 HydrophobicContact CD2-CE2 4.23Å; L512-F550 HydrophobicContact CD2-CG 4.46Å; Y520-F550 HydrophobicContact CD1-CE2 4.44Å; Y520-F550 AromaticContact CD2-CD2 3.42Å; Y520-F550 HydrophobicContact CD2-CD2 3.42Å; Y520-F550 VanDerWaalsContact CD2-CD2 3.42Å; Y520-F550 AromaticContact CD2-CE2 3.53Å; Y520-F550 HydrophobicContact CD2-CE2 3.53Å; Y520-F550 HydrophobicContact CE1-CE2 4.44Å; Y520-F550 AromaticContact CE2-CD2 3.46Å; Y520-F550 HydrophobicContact CE2-CD2 3.46Å; Y520-F550 VanDerWaalsContact CE2-CD2 3.46Å; Y520-F550 AromaticContact CE2-CE2 3.52Å; Y520-F550 HydrophobicContact CE2-CE2 3.52Å; Y520-F550 HydrophobicContact CG-CD2 4.24Å; Y520-F550 AromaticContact CG-CE2 3.95Å; Y520-F550 HydrophobicContact CG-CE2 3.95Å; Y520-F550 AromaticContact CZ-CE2 3.96Å; L523-F550 HydrophobicContact CB-CE2 4.39Å; L523-F550 HydrophobicContact CB-CZ 4Å; L523-F550 HydrophobicContact CD2-CD1 4.09Å; L523-F550 HydrophobicContact CD2-CE1 3.7Å; L523-F550 HydrophobicContact CD2-CE2 4.36Å; L523-F550 HydrophobicContact CD2-CZ 3.86Å; L523-F550 HydrophobicContact CG-CE1 3.86Å; L523-F550 HydrophobicContact CG-CE2 4.46Å; L523-F550 HydrophobicContact CG-CZ 3.72Å; E524-F550 HydrophobicContact CB-CZ 4.44Å; I547-F550 HydrophobicContact CG2-CE1 4.36Å; I547-F550 HydrophobicContact CG2-CZ 4.19Å; F550-V555 HydrophobicContact CB-CG1 4.21Å; F550-V555 HydrophobicContact CD1-CG1 3.64Å; F550-V555 HydrophobicContact CE1-CG1 4.39Å; F550-V555 HydrophobicContact CG-CG1 4.18Å; F550-I556 CarbonylContact C-O 3.4Å; F550-I556 WeakPolarHBondContact CA-O 3.32Å; F550-V557 HydrophobicContact CD1-CB 4.26Å; F550-V557 HydrophobicContact CD1-CG1 4.1Å; F550-V557 HydrophobicContact CD1-CG2 3.93Å; F550-V557 HydrophobicContact CE1-CB 4.29Å; F550-V557 HydrophobicContact CE1-CG1 3.76Å; F550-V557 HydrophobicContact CE1-CG2 3.88Å
551R84.3Confident88Confident64 Ų6432 Ų3224%0.24217%0.172CC..EExtended strand (participates in β ladder)trans-126155.5172.9-71177.7-178.4168.3-8111.8F508 V555 I556 N558 C610 K611 L613 A614F508-R551 VanDerWaalsContact CD2-O 3.29Å; F508-R551 WeakPolarHBondContact CD2-O 3.04Å; R551-V555 WeakPolarHBondContact O-CA 3.04Å; R551-I556 HydrophobicContact CB-CB 4.17Å; R551-I556 PolarHBondContact N-O 3.22Å; R551-I556 PolarHBondContact O-N 2.81Å; R551-N558 VanDerWaalsContact CD-ND2 3.32Å; R551-N558 WeakPolarHBondContact CD-ND2 3.48Å; R551-N558 WeakPolarHBondContact CG-ND2 3.33Å; R551-N558 PolarHBondContact NE-ND2 2.93Å; R551-C610 PolarHBondContact NH2-O 2.8Å; R551-K611 VanDerWaalsContact CZ-O 3.23Å; R551-K611 PolarHBondContact NH1-O 2.92Å; R551-K611 PolarHBondContact NH2-O 2.84Å; R551-L613 PolarHBondContact NH2-O 3.42Å; R551-A614 HydrophobicContact CG-CB 3.67Å
552N81.6Confident88.2Confident115 Ų11532.3 Ų32.362%0.61517%0.165SC*.THydrogen-bonded Turntrans-62.2152.9171.8-1662.3000111.8F508F508-N552 HydrophobicContact CD1-CB 3.74Å; F508-N552 HydrophobicContact CE1-CB 4.07Å; F508-N552 HydrophobicContact CG-CB 4.02Å
553G73.9Confident88.1Confident33 Ų3331.3 Ų31.334%0.3416%0.16SC..THydrogen-bonded Turntrans114.942.3-174.200000114R502R502-G553 VanDerWaalsContact CD-O 3.28Å; R502-G553 WeakPolarHBondContact CD-O 3.43Å; R502-G553 VanDerWaalsContact CG-O 3.31Å; R502-G553 WeakPolarHBondContact CG-O 3.16Å; R502-G553 PolarHBondContact NE-O 2.84Å
554S73.6Confident88Confident33 Ų3327.8 Ų27.823%0.23115%0.15CC..THydrogen-bonded Turntrans58.370.8-163.3-50.10000112.1R502 V503 A504 M506 I556R502-S554 VanDerWaalsContact CG-O 3.22Å; R502-S554 WeakPolarHBondContact CG-O 3.28Å; R502-S554 PolarHBondContact NH2-OG 3.07Å; V503-S554 CarbonylContact C-O 3.45Å; V503-S554 PolarHBondContact N-O 2.8Å; V503-S554 VanDerWaalsContact N-O 3.13Å; V503-S554 CarbonylContact O-C 3.44Å; V503-S554 VanDerWaalsContact O-CB 3.32Å; V503-S554 WeakPolarHBondContact O-CB 3.34Å; A504-S554 WeakPolarHBondContact O-CB 3.46Å; A504-S554 PolarHBondContact O-OG 2.84Å; M506-S554 VanDerWaalsContact O-CA 3.25Å; M506-S554 WeakPolarHBondContact O-CA 3.31Å; S554-I556 PolarHBondContact O-N 3.17Å
555V89.6Confident87.8Confident0 Ų029.5 Ų29.50%016%0.156CC..THydrogen-bonded Turntrans31.483.7178-169.30000114.1V503 M506 A507 F508 L512 L523 F550 R551 V557V503-V555 PolarHBondContact N-O 3.11Å; V503-V555 VanDerWaalsContact N-O 3.15Å; M506-V555 HydrophobicContact CB-CB 4.16Å; M506-V555 HydrophobicContact CB-CG2 3.73Å; A507-V555 WeakPolarHBondContact O-CG2 3.41Å; F508-V555 HydrophobicContact CB-CG2 4.13Å; F508-V555 HydrophobicContact CD2-CG2 4.38Å; L512-V555 HydrophobicContact CD1-CG1 4.14Å; L512-V555 HydrophobicContact CD1-CG2 3.8Å; L523-V555 HydrophobicContact CD2-CG1 3.84Å; F550-V555 HydrophobicContact CB-CG1 4.21Å; F550-V555 HydrophobicContact CD1-CG1 3.64Å; F550-V555 HydrophobicContact CE1-CG1 4.39Å; F550-V555 HydrophobicContact CG-CG1 4.18Å; R551-V555 WeakPolarHBondContact O-CA 3.04Å; V555-V557 HydrophobicContact CG1-CG2 4.5Å; V555-V557 PolarHBondContact O-N 3.22Å
556I89.6Confident87.3Confident46 Ų4631.3 Ų31.324%0.23617%0.17CC..EExtended strand (participates in β ladder)trans-81.6114172.6-57.5172.7000108.4L501 R502 F550 R551 S554L501-I556 CarbonylContact O-C 3.46Å; L501-I556 WeakPolarHBondContact O-CA 3.48Å; L501-I556 WeakPolarHBondContact O-CG2 3.48Å; R502-I556 HydrophobicContact CB-CG1 4.06Å; R502-I556 HydrophobicContact CG-CG1 4.04Å; F550-I556 CarbonylContact C-O 3.4Å; F550-I556 WeakPolarHBondContact CA-O 3.32Å; R551-I556 HydrophobicContact CB-CB 4.17Å; R551-I556 PolarHBondContact N-O 3.22Å; R551-I556 PolarHBondContact O-N 2.81Å; S554-I556 PolarHBondContact O-N 3.17Å
557V91.5Very high87.2Confident2 Ų228.4 Ų28.41%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-87.5112.3179-166.30000109S500 L501 V503 F527 I547 F550 V555S500-V557 WeakPolarHBondContact CA-O 3.44Å; L501-V557 HydrophobicContact CD1-CB 4.46Å; L501-V557 HydrophobicContact CD1-CG2 4.21Å; L501-V557 HydrophobicContact CD2-CB 4.11Å; L501-V557 HydrophobicContact CG-CB 4.03Å; L501-V557 HydrophobicContact CG-CG2 4.29Å; L501-V557 PolarHBondContact N-O 2.88Å; L501-V557 PolarHBondContact O-N 3.39Å; V503-V557 HydrophobicContact CG2-CG2 4.17Å; F527-V557 HydrophobicContact CD1-CG1 4.12Å; F527-V557 HydrophobicContact CE1-CG1 4.03Å; I547-V557 HydrophobicContact CD1-CG1 4.3Å; I547-V557 HydrophobicContact CG2-CG1 3.87Å; F550-V557 HydrophobicContact CD1-CB 4.26Å; F550-V557 HydrophobicContact CD1-CG1 4.1Å; F550-V557 HydrophobicContact CD1-CG2 3.93Å; F550-V557 HydrophobicContact CE1-CB 4.29Å; F550-V557 HydrophobicContact CE1-CG1 3.76Å; F550-V557 HydrophobicContact CE1-CG2 3.88Å; V555-V557 HydrophobicContact CG1-CG2 4.5Å; V555-V557 PolarHBondContact O-N 3.22Å
558N90.3Very high86.8Confident0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-94.5130.8173.1-62.7-64.5000110.2S500 L548 N549 R551 F612S500-N558 WeakPolarHBondContact CB-OD1 3.44Å; S500-N558 PolarHBondContact OG-OD1 3.42Å; L548-N558 HydrophobicContact CB-CB 4.33Å; L548-N558 WeakPolarHBondContact CB-O 3.44Å; L548-N558 PolarHBondContact N-O 3.49Å; N549-N558 PolarHBondContact O-N 2.7Å; N549-N558 PolarHBondContact OD1-ND2 3.48Å; R551-N558 VanDerWaalsContact CD-ND2 3.32Å; R551-N558 WeakPolarHBondContact CD-ND2 3.48Å; R551-N558 WeakPolarHBondContact CG-ND2 3.33Å; R551-N558 PolarHBondContact NE-ND2 2.93Å; N558-F612 WeakPolarHBondContact CB-O 3.48Å
559S91.4Very high86.7Confident0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-141.3153-165.8-64.60000112.4F498 F499 E546 I547F498-S559 WeakPolarHBondContact CA-O 3.27Å; F499-S559 PolarHBondContact N-O 3.02Å; F499-S559 PolarHBondContact O-N 3.3Å; E546-S559 WeakPolarHBondContact O-CA 3.44Å; I547-S559 VanDerWaalsContact CD1-OG 3.31Å; I547-S559 WeakPolarHBondContact CD1-OG 3.47Å
560K90.1Very high86.8Confident14 Ų1433.6 Ų33.66%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-127.8119.7-179.7177.9-176.2-176.1-176.70108.9V496 F498 L545 E546 L548 E629V496-K560 HydrophobicContact CG1-CG 3.89Å; F498-K560 HydrophobicContact CD1-CB 4.03Å; F498-K560 HydrophobicContact CD1-CG 4.16Å; F498-K560 HydrophobicContact CE1-CB 3.99Å; F498-K560 HydrophobicContact CE1-CD 3.83Å; F498-K560 HydrophobicContact CE1-CG 3.74Å; F498-K560 HydrophobicContact CZ-CD 4.32Å; F498-K560 HydrophobicContact CZ-CG 4.32Å; L545-K560 CarbonylContact C-O 3.49Å; E546-K560 HydrophobicContact CB-CB 4.3Å; E546-K560 PolarHBondContact N-O 2.83Å; E546-K560 PolarHBondContact O-N 3.33Å; E546-K560 IonicContact OE1-NZ 3.27Å; L548-K560 HydrophobicContact CD1-CB 4.17Å; L548-K560 HydrophobicContact CD2-CB 3.91Å; L548-K560 HydrophobicContact CD2-CD 4.04Å; L548-K560 HydrophobicContact CG-CB 4.07Å; K560-E629 IonicContact NZ-OE1 3.71Å; K560-E629 PolarHBondContact NZ-OE1 3.32Å
561M91.4Very high86.7Confident0 Ų033.8 Ų33.80%019%0.19CC..EExtended strand (participates in β ladder)trans-99.4143172.2-58.4-165.3-165.700110.4V496 V497 F499 L535 L539 F542 Q544 L545 F563 V575 L579V496-M561 WeakPolarHBondContact CA-O 3.18Å; V497-M561 PolarHBondContact N-O 3.05Å; V497-M561 PolarHBondContact O-N 3.07Å; F499-M561 HydrophobicContact CD1-CE 3.65Å; F499-M561 HydrophobicContact CD1-CG 3.93Å; F499-M561 HydrophobicContact CE1-CE 3.21Å; F499-M561 HydrophobicContact CE1-CG 3.51Å; F499-M561 HydrophobicContact CE1-SD 4.19Å; F499-M561 HydrophobicContact CE2-CE 4.17Å; F499-M561 HydrophobicContact CG-CE 4.3Å; F499-M561 HydrophobicContact CZ-CE 3.51Å; L535-M561 HydrophobicContact CD1-CE 3.62Å; L535-M561 HydrophobicContact CD1-SD 3.85Å; L535-M561 HydrophobicContact CD2-CE 3.62Å; L535-M561 HydrophobicContact CD2-SD 4.11Å; L535-M561 HydrophobicContact CG-CE 4.3Å; L539-M561 HydrophobicContact CD1-SD 4.44Å; F542-M561 HydrophobicContact CD2-SD 4.47Å; F542-M561 HydrophobicContact CE2-CB 4.46Å; F542-M561 HydrophobicContact CE2-CG 4.41Å; F542-M561 HydrophobicContact CE2-SD 4.39Å; Q544-M561 CarbonylContact O-C 3.52Å; Q544-M561 WeakPolarHBondContact O-CA 3.04Å; L545-M561 HydrophobicContact CD1-CG 4.11Å; M561-F563 HydrophobicContact CB-CD2 4.19Å; M561-F563 HydrophobicContact CB-CE2 3.4Å; M561-F563 HydrophobicContact CB-CZ 3.95Å; M561-F563 HydrophobicContact CG-CE2 4.3Å; M561-F563 HydrophobicContact CG-CZ 4.46Å; M561-F563 HydrophobicContact SD-CE2 3.97Å; M561-F563 HydrophobicContact SD-CZ 3.61Å; M561-V575 HydrophobicContact CE-CG1 3.77Å; M561-V575 HydrophobicContact SD-CG1 4.23Å; M561-V575 HydrophobicContact SD-CG2 4.16Å; M561-L579 HydrophobicContact CE-CD1 4Å; M561-L579 HydrophobicContact CE-CD2 4.26Å; M561-L579 HydrophobicContact CE-CG 4.36Å
562K91.3Very high86.9Confident37 Ų3733 Ų3316%0.16119%0.193CC..EExtended strand (participates in β ladder)trans-118.9138.5171-54.9176.5-168.1152.20109.5L495 V496 K543 Q544 E546L495-K562 CarbonylContact O-C 2.83Å; L495-K562 WeakPolarHBondContact O-CA 3.46Å; V496-K562 HydrophobicContact CG2-CG 4.32Å; K543-K562 WeakPolarHBondContact CA-O 3.41Å; K543-K562 WeakPolarHBondContact CB-O 3.22Å; K543-K562 PolarHBondContact N-O 2.83Å; Q544-K562 HydrophobicContact CB-CB 4.27Å; Q544-K562 HydrophobicContact CB-CD 4.36Å; Q544-K562 PolarHBondContact N-O 3.28Å; Q544-K562 PolarHBondContact O-N 2.98Å; E546-K562 WeakPolarHBondContact OE2-CE 3.33Å; E546-K562 IonicContact OE2-NZ 2.71Å; E546-K562 PolarHBondContact OE2-NZ 2.89Å
563F91.6Very high87.1Confident0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-129.8171.3-177.4-63.5-95.3000111L495 V497 L539 G541 F542 M561 L571 V575L495-F563 HydrophobicContact CB-CB 3.94Å; L495-F563 PolarHBondContact N-O 3.48Å; L495-F563 PolarHBondContact O-N 2.95Å; V497-F563 HydrophobicContact CB-CE2 4.34Å; V497-F563 HydrophobicContact CG2-CE2 4.23Å; L539-F563 HydrophobicContact CB-CE1 4Å; L539-F563 HydrophobicContact CD1-CE1 3.92Å; L539-F563 HydrophobicContact CD1-CZ 3.92Å; G541-F563 CarbonylContact O-C 3.59Å; G541-F563 VanDerWaalsContact O-CA 3.25Å; G541-F563 WeakPolarHBondContact O-CA 3.33Å; F542-F563 VanDerWaalsContact CA-CD1 3.44Å; F542-F563 HydrophobicContact CB-CD1 3.94Å; F542-F563 HydrophobicContact CB-CE1 3.77Å; F542-F563 AromaticContact CD2-CE1 3.96Å; F542-F563 HydrophobicContact CD2-CE1 3.96Å; F542-F563 HydrophobicContact CD2-CZ 4.11Å; F542-F563 HydrophobicContact CG-CE1 4.37Å; M561-F563 HydrophobicContact CB-CD2 4.19Å; M561-F563 HydrophobicContact CB-CE2 3.4Å; M561-F563 HydrophobicContact CB-CZ 3.95Å; M561-F563 HydrophobicContact CG-CE2 4.3Å; M561-F563 HydrophobicContact CG-CZ 4.46Å; M561-F563 HydrophobicContact SD-CE2 3.97Å; M561-F563 HydrophobicContact SD-CZ 3.61Å; F563-L571 HydrophobicContact CD1-CD1 3.91Å; F563-L571 HydrophobicContact CD2-CD1 4.03Å; F563-L571 HydrophobicContact CD2-CD2 3.78Å; F563-L571 HydrophobicContact CD2-CG 4.45Å; F563-L571 HydrophobicContact CE1-CD1 3.73Å; F563-L571 HydrophobicContact CE2-CD1 3.81Å; F563-L571 HydrophobicContact CE2-CD2 4.12Å; F563-L571 HydrophobicContact CE2-CG 4.35Å; F563-L571 HydrophobicContact CG-CD1 4.09Å; F563-L571 HydrophobicContact CG-CD2 4.14Å; F563-L571 HydrophobicContact CZ-CD1 3.69Å; F563-V575 HydrophobicContact CE2-CG2 4.33Å; F563-V575 HydrophobicContact CZ-CG2 3.85Å
564A89.3Confident87.9Confident29 Ų2932.7 Ų32.724%0.2418%0.178CC..  trans-53.7160.8167.700000112.2L495 G541 S566L495-A564 WeakPolarHBondContact CB-O 3.32Å; G541-A564 PolarHBondContact O-N 2.58Å; A564-S566 PolarHBondContact O-N 3.44Å; A564-S566 VanDerWaalsContact O-N 3.07Å
565K86.9Confident88.7Confident126 Ų12631.1 Ų31.155%0.54817%0.167SC..SBendtrans-61-19.9-177.9-54.8-167.6172.2-156.50113.7A489 G492 R493A489-K565 WeakPolarHBondContact CB-O 3.42Å; A489-K565 PolarHBondContact N-O 3.02Å; G492-K565 WeakPolarHBondContact O-CD 3.5Å; G492-K565 VanDerWaalsContact O-CE 3.26Å; G492-K565 WeakPolarHBondContact O-CE 3.42Å; G492-K565 PolarHBondContact O-NZ 3.05Å; R493-K565 WeakPolarHBondContact O-CG 3.4Å
566S83Confident88.7Confident54 Ų5435.3 Ų35.338%0.37819%0.186SC..EExtended strand (participates in β ladder)trans-148.2150.8172.9510000110.1T487 A564T487-S566 CarbonylContact O-C 3.55Å; T487-S566 VanDerWaalsContact O-CA 3.23Å; T487-S566 WeakPolarHBondContact O-CA 2.75Å; A564-S566 PolarHBondContact O-N 3.44Å; A564-S566 VanDerWaalsContact O-N 3.07Å
567V88.1Confident88.6Confident2 Ų233.1 Ų33.11%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-136.8145.6172.3-65.60000110.5T487 L495 Y569 L571T487-V567 PolarHBondContact N-O 3.03Å; T487-V567 PolarHBondContact O-N 2.96Å; L495-V567 HydrophobicContact CD1-CG1 4.47Å; L495-V567 HydrophobicContact CD1-CG2 3.95Å; V567-Y569 HydrophobicContact CB-CD1 4.24Å; V567-Y569 HydrophobicContact CB-CE1 3.77Å; V567-Y569 HydrophobicContact CB-CE2 4.33Å; V567-Y569 HydrophobicContact CG1-CE1 4.34Å; V567-Y569 HydrophobicContact CG2-CD2 4.28Å; V567-Y569 HydrophobicContact CG2-CE1 4.3Å; V567-Y569 HydrophobicContact CG2-CE2 3.98Å; V567-Y569 PolarHBondContact O-N 3.36Å; V567-Y569 VanDerWaalsContact O-N 3.09Å; V567-L571 HydrophobicContact CG2-CB 4.08Å; V567-L571 HydrophobicContact CG2-CD1 4.28Å
568P83.8Confident88.6Confident93 Ų9333.2 Ų33.260%0.60418%0.176SC*.SBendtrans-83.426.1-171.535.5-37.7000114.1
569Y84.8Confident88.6Confident8 Ų833.7 Ų33.73%0.03118%0.178CC..SBendtrans-150164.3-178.454.6-94.9000110.4S485 T487 L539 T540 V567 L571 A574S485-Y569 CarbonylContact O-C 3.48Å; S485-Y569 WeakPolarHBondContact O-CA 3.39Å; S485-Y569 PolarHBondContact O-N 2.99Å; T487-Y569 PolarHBondContact OG1-O 3.42Å; L539-Y569 HydrophobicContact CD2-CE2 4.42Å; T540-Y569 WeakPolarHBondContact O-CE1 3.47Å; T540-Y569 PolarHBondContact O-OH 3.3Å; V567-Y569 HydrophobicContact CB-CD1 4.24Å; V567-Y569 HydrophobicContact CB-CE1 3.77Å; V567-Y569 HydrophobicContact CB-CE2 4.33Å; V567-Y569 HydrophobicContact CG1-CE1 4.34Å; V567-Y569 HydrophobicContact CG2-CD2 4.28Å; V567-Y569 HydrophobicContact CG2-CE1 4.3Å; V567-Y569 HydrophobicContact CG2-CE2 3.98Å; V567-Y569 PolarHBondContact O-N 3.36Å; V567-Y569 VanDerWaalsContact O-N 3.09Å; Y569-L571 HydrophobicContact CE2-CD1 3.72Å; Y569-L571 PolarHBondContact O-N 3.17Å; Y569-L571 VanDerWaalsContact O-N 3.14Å; Y569-A574 HydrophobicContact CD2-CB 3.36Å; Y569-A574 HydrophobicContact CE2-CB 3.52Å; Y569-A574 HydrophobicContact CG-CB 4.37Å
570N87.4Confident88.5Confident49 Ų4936.2 Ų36.226%0.26219%0.19SC..  trans-70.6107.2174.2-175.9-77.7000109.7S485 T572 K573 A574S485-N570 PolarHBondContact O-N 3.2Å; N570-T572 PolarHBondContact O-N 3.33Å; N570-K573 HydrophobicContact CB-CB 4.3Å; N570-K573 PolarHBondContact O-N 2.73Å; N570-K573 WeakPolarHBondContact OD1-CB 3.33Å; N570-K573 WeakPolarHBondContact OD1-CG 3.29Å; N570-K573 PolarHBondContact OD1-N 3.4Å; N570-A574 WeakPolarHBondContact O-CB 3.47Å; N570-A574 PolarHBondContact O-N 3.33Å
571L88.1Confident88.3Confident4 Ų436.7 Ų36.72%0.02119%0.193CC..Hα-helixtrans-63.6-45.1-167.1-178.156.2000112.8T487 L495 V497 F563 V567 Y569 K573 A574 V575T487-L571 HydrophobicContact CG2-CB 3.94Å; T487-L571 PolarHBondContact OG1-N 3.4Å; L495-L571 HydrophobicContact CB-CD2 3.94Å; L495-L571 HydrophobicContact CD1-CD2 4.06Å; L495-L571 HydrophobicContact CG-CD2 4.43Å; V497-L571 HydrophobicContact CG2-CD2 3.57Å; V497-L571 HydrophobicContact CG2-CG 3.82Å; F563-L571 HydrophobicContact CD1-CD1 3.91Å; F563-L571 HydrophobicContact CD2-CD1 4.03Å; F563-L571 HydrophobicContact CD2-CD2 3.78Å; F563-L571 HydrophobicContact CD2-CG 4.45Å; F563-L571 HydrophobicContact CE1-CD1 3.73Å; F563-L571 HydrophobicContact CE2-CD1 3.81Å; F563-L571 HydrophobicContact CE2-CD2 4.12Å; F563-L571 HydrophobicContact CE2-CG 4.35Å; F563-L571 HydrophobicContact CG-CD1 4.09Å; F563-L571 HydrophobicContact CG-CD2 4.14Å; F563-L571 HydrophobicContact CZ-CD1 3.69Å; V567-L571 HydrophobicContact CG2-CB 4.08Å; V567-L571 HydrophobicContact CG2-CD1 4.28Å; Y569-L571 HydrophobicContact CE2-CD1 3.72Å; Y569-L571 PolarHBondContact O-N 3.17Å; Y569-L571 VanDerWaalsContact O-N 3.14Å; L571-K573 PolarHBondContact O-N 2.65Å; L571-A574 PolarHBondContact O-N 3.16Å; L571-V575 HydrophobicContact CD1-CG2 3.97Å; L571-V575 HydrophobicContact CG-CG2 4.45Å; L571-V575 WeakPolarHBondContact O-CB 3.37Å; L571-V575 VanDerWaalsContact O-CG2 3.32Å; L571-V575 WeakPolarHBondContact O-CG2 3.46Å; L571-V575 PolarHBondContact O-N 3.28Å
572T87.5Confident88.2Confident49 Ų4936.8 Ų36.830%0.30119%0.194SC..Hα-helixtrans-61-44-180-45.60000111.8N570 H576 I601N570-T572 PolarHBondContact O-N 3.33Å; T572-H576 PolarHBondContact O-N 3.35Å; T572-I601 HydrophobicContact CG2-CB 4.47Å; T572-I601 HydrophobicContact CG2-CG2 3.98Å
573K86.7Confident88.1Confident133 Ų13338.7 Ų38.758%0.57820%0.2SC*.Hα-helixtrans-67.4-41176.8-74.3-174.3174.6-170.30112.8N570 L571 H576 G577N570-K573 HydrophobicContact CB-CB 4.3Å; N570-K573 PolarHBondContact O-N 2.73Å; N570-K573 WeakPolarHBondContact OD1-CB 3.33Å; N570-K573 WeakPolarHBondContact OD1-CG 3.29Å; N570-K573 PolarHBondContact OD1-N 3.4Å; L571-K573 PolarHBondContact O-N 2.65Å; K573-H576 PolarHBondContact O-N 2.99Å; K573-G577 PolarHBondContact O-N 3.15Å
574A89.9Confident87.7Confident7 Ų740.8 Ų40.86%0.05821%0.214CC..Hα-helixtrans-66.1-41.617800000112L539 Y569 N570 L571 H576 G577 V578L539-A574 HydrophobicContact CD2-CB 3.84Å; Y569-A574 HydrophobicContact CD2-CB 3.36Å; Y569-A574 HydrophobicContact CE2-CB 3.52Å; Y569-A574 HydrophobicContact CG-CB 4.37Å; N570-A574 WeakPolarHBondContact O-CB 3.47Å; N570-A574 PolarHBondContact O-N 3.33Å; L571-A574 PolarHBondContact O-N 3.16Å; A574-H576 VanDerWaalsContact C-N 3.31Å; A574-H576 PolarHBondContact O-N 2.99Å; A574-G577 PolarHBondContact O-N 2.84Å; A574-V578 WeakPolarHBondContact O-CB 3.48Å; A574-V578 WeakPolarHBondContact O-CG2 3.31Å; A574-V578 PolarHBondContact O-N 3Å
575V91.1Very high87.5Confident0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-61.3-40.1173.2171.80000111V497 L539 M561 F563 L571 L579 I601V497-V575 HydrophobicContact CG1-CG1 4.45Å; L539-V575 HydrophobicContact CD1-CG2 3.85Å; M561-V575 HydrophobicContact CE-CG1 3.77Å; M561-V575 HydrophobicContact SD-CG1 4.23Å; M561-V575 HydrophobicContact SD-CG2 4.16Å; F563-V575 HydrophobicContact CE2-CG2 4.33Å; F563-V575 HydrophobicContact CZ-CG2 3.85Å; L571-V575 HydrophobicContact CD1-CG2 3.97Å; L571-V575 HydrophobicContact CG-CG2 4.45Å; L571-V575 WeakPolarHBondContact O-CB 3.37Å; L571-V575 VanDerWaalsContact O-CG2 3.32Å; L571-V575 WeakPolarHBondContact O-CG2 3.46Å; L571-V575 PolarHBondContact O-N 3.28Å; V575-L579 HydrophobicContact CG1-CD1 3.66Å; V575-L579 HydrophobicContact CG1-CG 4.33Å; V575-L579 WeakPolarHBondContact O-CB 3.49Å; V575-L579 VanDerWaalsContact O-CG 3.27Å; V575-L579 WeakPolarHBondContact O-CG 3.25Å; V575-L579 PolarHBondContact O-N 3.27Å; V575-I601 HydrophobicContact CB-CG2 4.4Å; V575-I601 HydrophobicContact CG1-CD1 4.08Å; V575-I601 HydrophobicContact CG1-CG1 4.39Å; V575-I601 HydrophobicContact CG1-CG2 3.93Å
576H89.1Confident87.5Confident89 Ų8933.9 Ų33.941%0.41218%0.181SC..Hα-helixtrans-63.7-47175.4-169.7-40.5000112.5T572 K573 A574 L579 E580 I601T572-H576 PolarHBondContact O-N 3.35Å; K573-H576 PolarHBondContact O-N 2.99Å; A574-H576 VanDerWaalsContact C-N 3.31Å; A574-H576 PolarHBondContact O-N 2.99Å; H576-L579 PolarHBondContact O-N 3.36Å; H576-E580 WeakPolarHBondContact O-CB 3.19Å; H576-E580 PolarHBondContact O-N 3.44Å; H576-I601 HydrophobicContact CB-CD1 3.59Å
577G88.1Confident87.7Confident0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-60.5-46.8178.200000112.3K573 A574 L579 E580 D581K573-G577 PolarHBondContact O-N 3.15Å; A574-G577 PolarHBondContact O-N 2.84Å; G577-L579 PolarHBondContact O-N 3.03Å; G577-E580 PolarHBondContact O-N 2.85Å; G577-D581 PolarHBondContact O-N 2.97Å
578V91.4Very high87.5Confident4 Ų440.5 Ų40.52%0.02421%0.213CC..Hα-helixtrans-68.8-31.9-179.3173.40000112.5A477 Y534 L535 N538 L539 A574 F582A477-V578 HydrophobicContact CB-CG2 4.31Å; Y534-V578 HydrophobicContact CD1-CG1 3.91Å; Y534-V578 HydrophobicContact CE1-CG1 3.73Å; Y534-V578 WeakPolarHBondContact CE1-O 3.43Å; L535-V578 HydrophobicContact CD2-CG1 4.01Å; N538-V578 HydrophobicContact CB-CB 4.49Å; N538-V578 HydrophobicContact CB-CG1 3.78Å; N538-V578 HydrophobicContact CB-CG2 3.78Å; L539-V578 HydrophobicContact CD1-CG1 4.49Å; L539-V578 HydrophobicContact CD2-CB 4.26Å; L539-V578 HydrophobicContact CD2-CG2 3.68Å; L539-V578 HydrophobicContact CG-CB 4.36Å; L539-V578 HydrophobicContact CG-CG1 4.29Å; L539-V578 HydrophobicContact CG-CG2 4.08Å; A574-V578 WeakPolarHBondContact O-CB 3.48Å; A574-V578 WeakPolarHBondContact O-CG2 3.31Å; A574-V578 PolarHBondContact O-N 3Å; V578-F582 VanDerWaalsContact O-CB 3.25Å; V578-F582 WeakPolarHBondContact O-CB 3.47Å; V578-F582 PolarHBondContact O-N 3.1Å
579L90.8Very high87.3Confident9 Ų941.9 Ų41.95%0.04721%0.211CC..Hα-helixtrans-77.7-26.9175.4-70.8174000113.4F499 L531 M561 V575 H576 G577 R583 L599 I601F499-L579 HydrophobicContact CB-CD1 4.34Å; F499-L579 HydrophobicContact CD2-CD1 3.4Å; F499-L579 VanDerWaalsContact CD2-CD1 3.4Å; F499-L579 HydrophobicContact CD2-CD2 4.43Å; F499-L579 HydrophobicContact CE2-CD1 3.72Å; F499-L579 HydrophobicContact CE2-CD2 3.92Å; F499-L579 HydrophobicContact CG-CD1 3.9Å; F499-L579 HydrophobicContact CZ-CD1 4.47Å; F499-L579 HydrophobicContact CZ-CD2 4.47Å; L531-L579 HydrophobicContact CD1-CD2 3.97Å; L531-L579 HydrophobicContact CD2-CD2 4.29Å; M561-L579 HydrophobicContact CE-CD1 4Å; M561-L579 HydrophobicContact CE-CD2 4.26Å; M561-L579 HydrophobicContact CE-CG 4.36Å; V575-L579 HydrophobicContact CG1-CD1 3.66Å; V575-L579 HydrophobicContact CG1-CG 4.33Å; V575-L579 WeakPolarHBondContact O-CB 3.49Å; V575-L579 VanDerWaalsContact O-CG 3.27Å; V575-L579 WeakPolarHBondContact O-CG 3.25Å; V575-L579 PolarHBondContact O-N 3.27Å; H576-L579 PolarHBondContact O-N 3.36Å; G577-L579 PolarHBondContact O-N 3.03Å; L579-R583 PolarHBondContact O-N 3.29Å; L579-L599 HydrophobicContact CB-CD1 4.07Å; L579-L599 HydrophobicContact CB-CD2 3.98Å; L579-L599 HydrophobicContact CD1-CD1 3.85Å; L579-I601 HydrophobicContact CD1-CD1 4.25Å; L579-I601 HydrophobicContact CD1-CG1 4.48Å
580E88.1Confident87Confident53 Ų5342.8 Ų42.825%0.24822%0.217CC..Hα-helixtrans-72.1-45171.1-174.967.6-173.100111.1H576 G577 F582 R583 S596H576-E580 WeakPolarHBondContact O-CB 3.19Å; H576-E580 PolarHBondContact O-N 3.44Å; G577-E580 PolarHBondContact O-N 2.85Å; E580-F582 PolarHBondContact O-N 3.1Å; E580-R583 VanDerWaalsContact O-CB 3.31Å; E580-R583 WeakPolarHBondContact O-CB 3.43Å; E580-R583 PolarHBondContact O-N 2.6Å; E580-R583 VanDerWaalsContact O-N 3.17Å; E580-R583 IonicContact OE1-CZ 2.78Å; E580-R583 IonicContact OE1-NH1 3.3Å; E580-R583 PolarHBondContact OE1-NH1 2.91Å; E580-R583 IonicContact OE1-NH2 2.68Å; E580-R583 PolarHBondContact OE1-NH2 3.1Å; E580-R583 IonicContact OE2-NH1 3.09Å; E580-S596 WeakPolarHBondContact OE2-CB 3.41Å
581D86.9Confident86.9Confident25 Ų2547.5 Ų47.513%0.13424%0.237CC..Hα-helixtrans-62.3-32.2172.5-76.6-5.4000111.6A477 Y534 G577 R583A477-D581 WeakPolarHBondContact CB-OD2 3.37Å; A477-D581 PolarHBondContact N-OD2 3.19Å; Y534-D581 WeakPolarHBondContact OH-CB 3.3Å; Y534-D581 PolarHBondContact OH-O 2.92Å; G577-D581 PolarHBondContact O-N 2.97Å; D581-R583 VanDerWaalsContact C-N 3.31Å; D581-R583 PolarHBondContact O-N 3.23Å
582F88.8Confident86.8Confident2 Ų247.6 Ų47.61%0.00924%0.237CC..Hα-helixtrans-66.4-25.5175.9179.9-107.5000113.6F527 L530 L531 Y534 V578 E580 S584 A585 A586 I594F527-F582 HydrophobicContact CE2-CE1 4.09Å; F527-F582 HydrophobicContact CZ-CE1 4.37Å; L530-F582 HydrophobicContact CB-CE2 4.37Å; L530-F582 HydrophobicContact CD2-CE2 3.68Å; L530-F582 HydrophobicContact CD2-CZ 4.06Å; L530-F582 HydrophobicContact CG-CE2 3.98Å; L531-F582 HydrophobicContact CB-CE1 4.39Å; L531-F582 HydrophobicContact CB-CE2 4.08Å; L531-F582 HydrophobicContact CB-CZ 3.78Å; L531-F582 HydrophobicContact CD1-CD1 3.91Å; L531-F582 HydrophobicContact CD1-CD2 3.76Å; L531-F582 HydrophobicContact CD1-CE1 3.89Å; L531-F582 HydrophobicContact CD1-CE2 3.74Å; L531-F582 HydrophobicContact CD1-CG 3.85Å; L531-F582 HydrophobicContact CD1-CZ 3.81Å; L531-F582 HydrophobicContact CG-CE1 4.48Å; L531-F582 HydrophobicContact CG-CE2 4.5Å; L531-F582 HydrophobicContact CG-CZ 4.27Å; Y534-F582 HydrophobicContact CD1-CB 4.09Å; Y534-F582 AromaticContact CD1-CD2 3.79Å; Y534-F582 HydrophobicContact CD1-CD2 3.79Å; Y534-F582 HydrophobicContact CD1-CG 4.36Å; Y534-F582 HydrophobicContact CD2-CD2 4.19Å; Y534-F582 HydrophobicContact CE1-CB 3.78Å; Y534-F582 HydrophobicContact CE1-CD2 4.19Å; Y534-F582 HydrophobicContact CE1-CG 4.48Å; Y534-F582 AromaticContact CG-CD2 3.79Å; Y534-F582 HydrophobicContact CG-CD2 3.79Å; Y534-F582 HydrophobicContact CG-CE2 4.43Å; V578-F582 VanDerWaalsContact O-CB 3.25Å; V578-F582 WeakPolarHBondContact O-CB 3.47Å; V578-F582 PolarHBondContact O-N 3.1Å; E580-F582 PolarHBondContact O-N 3.1Å; F582-S584 VanDerWaalsContact C-N 3.29Å; F582-S584 PolarHBondContact O-N 2.63Å; F582-A585 HydrophobicContact CD2-CB 4.46Å; F582-A585 PolarHBondContact O-N 2.89Å; F582-A585 VanDerWaalsContact O-N 3.15Å; F582-A586 HydrophobicContact CD1-CB 4.19Å; F582-A586 HydrophobicContact CE1-CB 3.82Å; F582-A586 HydrophobicContact CZ-CB 4.03Å; F582-A586 WeakPolarHBondContact O-CB 3.42Å; F582-A586 PolarHBondContact O-N 2.76Å; F582-I594 HydrophobicContact CD1-CD1 3.63Å; F582-I594 HydrophobicContact CE1-CD1 3.62Å
583R88.6Confident86.7Confident76 Ų7650.6 Ų50.629%0.28725%0.248SC..Hα-helixtrans-52.1-48.2178.9176.9-175.761-139.2-25.6111.6L579 E580 D581 A586 A587 I594 S596L579-R583 PolarHBondContact O-N 3.29Å; E580-R583 VanDerWaalsContact O-CB 3.31Å; E580-R583 WeakPolarHBondContact O-CB 3.43Å; E580-R583 PolarHBondContact O-N 2.6Å; E580-R583 VanDerWaalsContact O-N 3.17Å; E580-R583 IonicContact OE1-CZ 2.78Å; E580-R583 IonicContact OE1-NH1 3.3Å; E580-R583 PolarHBondContact OE1-NH1 2.91Å; E580-R583 IonicContact OE1-NH2 2.68Å; E580-R583 PolarHBondContact OE1-NH2 3.1Å; E580-R583 IonicContact OE2-NH1 3.09Å; D581-R583 VanDerWaalsContact C-N 3.31Å; D581-R583 PolarHBondContact O-N 3.23Å; R583-A586 PolarHBondContact O-N 3.05Å; R583-A587 PolarHBondContact O-N 3.46Å; R583-I594 HydrophobicContact CB-CB 4.45Å; R583-I594 VanDerWaalsContact CD-O 3.29Å; R583-I594 WeakPolarHBondContact CD-O 3.18Å; R583-I594 HydrophobicContact CG-CB 4.21Å; R583-I594 WeakPolarHBondContact CG-O 3.25Å; R583-S596 PolarHBondContact NH1-OG 3.26Å
584S83.9Confident86.8Confident44 Ų4445.1 Ų45.131%0.30823%0.225SC..Hα-helixtrans-68.8-37.4-177.8-56.10000112F582 Q588F582-S584 VanDerWaalsContact C-N 3.29Å; F582-S584 PolarHBondContact O-N 2.63Å; S584-Q588 WeakPolarHBondContact O-CB 3.09Å; S584-Q588 VanDerWaalsContact O-CG 3.25Å; S584-Q588 WeakPolarHBondContact O-CG 3.43Å; S584-Q588 PolarHBondContact O-N 3.2Å; S584-Q588 VanDerWaalsContact O-N 3.1Å
585A85.4Confident86.6Confident11 Ų1146.7 Ų46.79%0.09123%0.232CC..Hα-helixtrans-66.7-41.3174.900000112.2Y534 F582 Q588 Q589Y534-A585 HydrophobicContact CE2-CB 4.13Å; F582-A585 HydrophobicContact CD2-CB 4.46Å; F582-A585 PolarHBondContact O-N 2.89Å; F582-A585 VanDerWaalsContact O-N 3.15Å; A585-Q588 PolarHBondContact O-N 3.4Å; A585-Q589 WeakPolarHBondContact O-CB 3.45Å; A585-Q589 WeakPolarHBondContact O-CG 3.31Å; A585-Q589 PolarHBondContact O-N 3.46Å
586A86.2Confident85.8Confident0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-65.2-40.4177.800000112.6F582 R583 L590 H591 L592 I594F582-A586 HydrophobicContact CD1-CB 4.19Å; F582-A586 HydrophobicContact CE1-CB 3.82Å; F582-A586 HydrophobicContact CZ-CB 4.03Å; F582-A586 WeakPolarHBondContact O-CB 3.42Å; F582-A586 PolarHBondContact O-N 2.76Å; R583-A586 PolarHBondContact O-N 3.05Å; A586-L590 CarbonylContact O-C 3.54Å; A586-L590 PolarHBondContact O-N 3.46Å; A586-H591 PolarHBondContact O-N 3.39Å; A586-H591 VanDerWaalsContact O-N 3.16Å; A586-L592 CarbonylContact C-O 3.52Å; A586-L592 HydrophobicContact CB-CB 4.38Å; A586-L592 PolarHBondContact O-N 3.47Å; A586-L592 VanDerWaalsContact O-N 3.12Å; A586-I594 HydrophobicContact CB-CD1 3.52Å; A586-I594 HydrophobicContact CB-CG1 4.2Å
587A86.6Confident85.4Confident42 Ų4254.5 Ų54.535%0.34727%0.265SS..Hα-helixtrans-64.2-41.7174.400000112.1R583 H591 L592R583-A587 PolarHBondContact O-N 3.46Å; A587-H591 WeakPolarHBondContact O-CA 3.49Å; A587-H591 PolarHBondContact O-N 3.38Å; A587-L592 WeakPolarHBondContact CA-O 3.3Å; A587-L592 PolarHBondContact N-O 3.08Å
588Q83.9Confident85Confident152 Ų15255.9 Ų55.971%0.7128%0.275SS*.Hα-helixtrans-74.6-40.8-179.4-72.1173.95.400113.8S584 A585S584-Q588 WeakPolarHBondContact O-CB 3.09Å; S584-Q588 VanDerWaalsContact O-CG 3.25Å; S584-Q588 WeakPolarHBondContact O-CG 3.43Å; S584-Q588 PolarHBondContact O-N 3.2Å; S584-Q588 VanDerWaalsContact O-N 3.1Å; A585-Q588 PolarHBondContact O-N 3.4Å
589Q80.4Confident84.6Confident122 Ų12257 Ų5757%0.5728%0.28SS*.Hα-helixtrans-104.5-20.3-167.4-59-174.9-87.100114.6L530 A585L530-Q589 HydrophobicContact CD1-CB 4.05Å; L530-Q589 HydrophobicContact CD2-CB 3.97Å; A585-Q589 WeakPolarHBondContact O-CB 3.45Å; A585-Q589 WeakPolarHBondContact O-CG 3.31Å; A585-Q589 PolarHBondContact O-N 3.46Å
590L79.1Confident84.3Confident27 Ų2758.8 Ų58.814%0.14129%0.29CS..Hα-helixtrans-125.8-1.6178.2-64.9178.4000113.5Q526 L530 A586 L592Q526-L590 HydrophobicContact CG-CD1 4.34Å; Q526-L590 HydrophobicContact CG-CD2 3.76Å; Q526-L590 WeakPolarHBondContact O-CD1 3.3Å; L530-L590 HydrophobicContact CB-CD1 3.68Å; L530-L590 HydrophobicContact CB-CG 4.19Å; L530-L590 HydrophobicContact CD2-CD1 3.98Å; L530-L590 HydrophobicContact CD2-CG 4.01Å; L530-L590 HydrophobicContact CG-CD1 4.44Å; A586-L590 CarbonylContact O-C 3.54Å; A586-L590 PolarHBondContact O-N 3.46Å; L590-L592 HydrophobicContact CB-CD1 3.82Å; L590-L592 HydrophobicContact CB-CG 3.67Å; L590-L592 HydrophobicContact CD1-CD1 3.81Å; L590-L592 PolarHBondContact O-N 2.79Å
591H84.1Confident84.2Confident149 Ų14957.4 Ų57.469%0.6928%0.284SS*.  trans55.335-171.2-55.2-51.4000113.8N505 A586 A587N505-H591 PolarHBondContact ND2-O 2.94Å; A586-H591 PolarHBondContact O-N 3.39Å; A586-H591 VanDerWaalsContact O-N 3.16Å; A587-H591 WeakPolarHBondContact O-CA 3.49Å; A587-H591 PolarHBondContact O-N 3.38Å
592L85.4Confident84.1Confident6 Ų657.8 Ų57.83%0.03129%0.285CS..  trans-102.2115.9179.2-55.3179.6000110.8V503 M506 F527 A586 A587 L590 I594V503-L592 HydrophobicContact CG1-CB 3.99Å; V503-L592 HydrophobicContact CG1-CD2 4.02Å; V503-L592 HydrophobicContact CG1-CG 4.5Å; M506-L592 HydrophobicContact CG-CD2 4.27Å; M506-L592 HydrophobicContact SD-CD2 3.67Å; F527-L592 HydrophobicContact CD2-CD1 4.22Å; A586-L592 CarbonylContact C-O 3.52Å; A586-L592 HydrophobicContact CB-CB 4.38Å; A586-L592 PolarHBondContact O-N 3.47Å; A586-L592 VanDerWaalsContact O-N 3.12Å; A587-L592 WeakPolarHBondContact CA-O 3.3Å; A587-L592 PolarHBondContact N-O 3.08Å; L590-L592 HydrophobicContact CB-CD1 3.82Å; L590-L592 HydrophobicContact CB-CG 3.67Å; L590-L592 HydrophobicContact CD1-CD1 3.81Å; L590-L592 PolarHBondContact O-N 2.79Å; L592-I594 PolarHBondContact O-N 2.82Å
593E87.2Confident83.8Confident112 Ų11258.8 Ų58.852%0.52329%0.291SS..  trans-83.998.5175.5-75.6163.6-134.800110.3V503 A504 N505V503-E593 CarbonylContact C-O 3.48Å; V503-E593 WeakPolarHBondContact CA-O 3.27Å; A504-E593 HydrophobicContact CB-CB 4.37Å; A504-E593 PolarHBondContact N-O 3.05Å; N505-E593 HydrophobicContact CB-CB 4.08Å; N505-E593 HydrophobicContact CB-CG 4.24Å; N505-E593 WeakPolarHBondContact ND2-CG 3.25Å; N505-E593 PolarHBondContact ND2-N 3.1Å; N505-E593 PolarHBondContact ND2-OE1 2.78Å; N505-E593 PolarHBondContact OD1-N 3.29Å; N505-E593 VanDerWaalsContact OD1-N 3.11Å
594I88.5Confident83.2Confident18 Ų1857 Ų579%0.09229%0.293CS..BIsolated β-bridgetrans-83.5121.4178.3-59173.8000110.1L501 R502 F582 R583 A586 L592 S596L501-I594 HydrophobicContact CB-CG2 4.16Å; L501-I594 HydrophobicContact CD1-CD1 3.96Å; L501-I594 HydrophobicContact CD1-CG1 3.99Å; L501-I594 HydrophobicContact CD1-CG2 4.08Å; R502-I594 WeakPolarHBondContact O-CA 3.5Å; F582-I594 HydrophobicContact CD1-CD1 3.63Å; F582-I594 HydrophobicContact CE1-CD1 3.62Å; R583-I594 HydrophobicContact CB-CB 4.45Å; R583-I594 VanDerWaalsContact CD-O 3.29Å; R583-I594 WeakPolarHBondContact CD-O 3.18Å; R583-I594 HydrophobicContact CG-CB 4.21Å; R583-I594 WeakPolarHBondContact CG-O 3.25Å; A586-I594 HydrophobicContact CB-CD1 3.52Å; A586-I594 HydrophobicContact CB-CG1 4.2Å; L592-I594 PolarHBondContact O-N 2.82Å; I594-S596 PolarHBondContact O-N 2.94Å
595D85.7Confident82.5Confident39 Ų3959.9 Ų59.921%0.20931%0.305CS..  trans-77.2106.1177.4176.6-4.1000110.4R502 Y597 S598R502-D595 HydrophobicContact CB-CB 4.2Å; R502-D595 IonicContact CZ-OD2 3.78Å; R502-D595 IonicContact NH1-OD2 2.73Å; R502-D595 PolarHBondContact NH1-OD2 2.86Å; R502-D595 PolarHBondContact O-N 3.21Å; D595-Y597 PolarHBondContact O-N 2.68Å; D595-Y597 PolarHBondContact OD1-N 3.37Å; D595-S598 WeakPolarHBondContact O-CB 3.26Å; D595-S598 PolarHBondContact O-N 2.98Å; D595-S598 PolarHBondContact O-OG 2.85Å
596S74.7Confident81.7Confident34 Ų3466.1 Ų66.124%0.23833%0.332CS..G310 helixtrans-64.9-22.4-177.545.10000114.2E580 R583 I594 S598E580-S596 WeakPolarHBondContact OE2-CB 3.41Å; R583-S596 PolarHBondContact NH1-OG 3.26Å; I594-S596 PolarHBondContact O-N 2.94Å; S596-S598 PolarHBondContact O-N 2.97Å
597Y79.4Confident81Confident219 Ų21966.5 Ų66.586%0.85934%0.335SS*.G310 helixtrans-79.1-8.9175.1-58.6-79.1000112.7D595D595-Y597 PolarHBondContact O-N 2.68Å; D595-Y597 PolarHBondContact OD1-N 3.37Å
598S79.3Confident80.5Confident30 Ų3068.4 Ų68.421%0.2134%0.34CS..G310 helixtrans-90.6-8.9176.177.90000114.6R502 D595 S596 N600R502-S598 VanDerWaalsContact CB-CB 3.42Å; R502-S598 VanDerWaalsContact CB-OG 3.22Å; R502-S598 WeakPolarHBondContact CB-OG 3.33Å; R502-S598 PolarHBondContact N-OG 2.91Å; D595-S598 WeakPolarHBondContact O-CB 3.26Å; D595-S598 PolarHBondContact O-N 2.98Å; D595-S598 PolarHBondContact O-OG 2.85Å; S596-S598 PolarHBondContact O-N 2.97Å; S598-N600 PolarHBondContact O-N 3.33Å; S598-N600 VanDerWaalsContact O-N 3.08Å
599L84.4Confident80Confident27 Ų2761.5 Ų61.514%0.14131%0.308CS..  trans-71.7102.7-170.3-176.960.2000111.4S500 L579 I601S500-L599 WeakPolarHBondContact O-CA 3.34Å; L579-L599 HydrophobicContact CB-CD1 4.07Å; L579-L599 HydrophobicContact CB-CD2 3.98Å; L579-L599 HydrophobicContact CD1-CD1 3.85Å; L599-I601 HydrophobicContact CD1-CD1 3.98Å; L599-I601 HydrophobicContact CD1-CG1 4.02Å; L599-I601 HydrophobicContact CD2-CD1 4.04Å; L599-I601 HydrophobicContact CG-CD1 3.84Å; L599-I601 HydrophobicContact CG-CG1 4.17Å
600N83.6Confident80.1Confident47 Ų4757 Ų5725%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-113.3119.9179.7-178.499.6000109.9F499 S500 S598 E602 K611 F612F499-N600 CarbonylContact C-O 3.58Å; F499-N600 WeakPolarHBondContact CA-O 3.28Å; S500-N600 PolarHBondContact N-O 2.8Å; S500-N600 PolarHBondContact O-N 3.43Å; S500-N600 VanDerWaalsContact O-N 3.13Å; S598-N600 PolarHBondContact O-N 3.33Å; S598-N600 VanDerWaalsContact O-N 3.08Å; N600-E602 PolarHBondContact ND2-OE1 3.48Å; N600-E602 PolarHBondContact OD1-OE1 3.15Å; N600-K611 WeakPolarHBondContact ND2-CE 3.22Å; N600-K611 PolarHBondContact ND2-NZ 3.29Å; N600-K611 WeakPolarHBondContact OD1-CE 3.25Å; N600-K611 PolarHBondContact OD1-NZ 3.3Å; N600-F612 VanDerWaalsContact ND2-CZ 3.33Å; N600-F612 WeakPolarHBondContact ND2-CZ 3.46Å
601I86.1Confident80.2Confident23 Ų2359.8 Ų59.812%0.11830%0.301CS..EExtended strand (participates in β ladder)trans-129.2125.2-174.4-56.9158.5000110V497 F498 F499 T572 V575 H576 L579 L599V497-I601 HydrophobicContact CG1-CG2 3.49Å; V497-I601 VanDerWaalsContact CG1-CG2 3.49Å; F498-I601 WeakPolarHBondContact O-CA 3.21Å; F499-I601 HydrophobicContact CB-CB 4.44Å; F499-I601 HydrophobicContact CB-CG1 3.86Å; T572-I601 HydrophobicContact CG2-CB 4.47Å; T572-I601 HydrophobicContact CG2-CG2 3.98Å; V575-I601 HydrophobicContact CB-CG2 4.4Å; V575-I601 HydrophobicContact CG1-CD1 4.08Å; V575-I601 HydrophobicContact CG1-CG1 4.39Å; V575-I601 HydrophobicContact CG1-CG2 3.93Å; H576-I601 HydrophobicContact CB-CD1 3.59Å; L579-I601 HydrophobicContact CD1-CD1 4.25Å; L579-I601 HydrophobicContact CD1-CG1 4.48Å; L599-I601 HydrophobicContact CD1-CD1 3.98Å; L599-I601 HydrophobicContact CD1-CG1 4.02Å; L599-I601 HydrophobicContact CD2-CD1 4.04Å; L599-I601 HydrophobicContact CG-CD1 3.84Å; L599-I601 HydrophobicContact CG-CG1 4.17Å
602E84.5Confident80Confident33 Ų3352.7 Ų52.715%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-135.6135.7-179.2-73.9158-134.300111.5F498 N600 A607 K611 F612F498-E602 PolarHBondContact N-O 2.83Å; F498-E602 PolarHBondContact O-N 3.08Å; N600-E602 PolarHBondContact ND2-OE1 3.48Å; N600-E602 PolarHBondContact OD1-OE1 3.15Å; E602-A607 HydrophobicContact CB-CB 3.7Å; E602-A607 WeakPolarHBondContact OE2-CA 3.49Å; E602-K611 WeakPolarHBondContact OE1-CD 3.31Å; E602-K611 VanDerWaalsContact OE1-CE 3.26Å; E602-K611 WeakPolarHBondContact OE1-CE 3.43Å; E602-K611 IonicContact OE1-NZ 2.72Å; E602-K611 PolarHBondContact OE1-NZ 3.05Å; E602-F612 HydrophobicContact CB-CE2 4.08Å; E602-F612 HydrophobicContact CB-CZ 3.96Å; E602-F612 HydrophobicContact CG-CE2 4.47Å; E602-F612 HydrophobicContact CG-CZ 4.22Å; E602-F612 WeakPolarHBondContact OE2-CE2 3.46Å
603P82.8Confident79.6Confident23 Ų2353.4 Ų53.415%0.14927%0.272CS..EExtended strand (participates in β ladder)trans-77.4147.4173.436.2-35.8000110.2D605 Q606 A607P603-D605 WeakPolarHBondContact CB-OD1 3.29Å; P603-D605 PolarHBondContact O-N 3.01Å; P603-Q606 HydrophobicContact CG-CB 4.16Å; P603-Q606 HydrophobicContact CG-CG 4.46Å; P603-Q606 PolarHBondContact O-N 2.85Å; P603-A607 WeakPolarHBondContact O-CB 3.41Å; P603-A607 PolarHBondContact O-N 3.4Å
604A75.7Confident78.9Confident39 Ų3949.1 Ų49.132%0.32226%0.255SS..THydrogen-bonded Turntrans-65-13.8-166.900000116.2V496 F498V496-A604 HydrophobicContact CB-CB 3.7Å; V496-A604 HydrophobicContact CG1-CB 3.95Å; V496-A604 WeakPolarHBondContact O-CB 3.31Å; V496-A604 PolarHBondContact O-N 3.13Å; F498-A604 HydrophobicContact CD2-CB 4.13Å; F498-A604 HydrophobicContact CE2-CB 3.65Å
605D70.3Confident78.2Confident104 Ų10449.8 Ų49.856%0.55626%0.261SS*.THydrogen-bonded Turntrans-79.3-22.2172.359.9-58.1000113.4P603P603-D605 WeakPolarHBondContact CB-OD1 3.29Å; P603-D605 PolarHBondContact O-N 3.01Å
606Q67.6Low77.4Confident143 Ų14350.1 Ų50.167%0.66827%0.274SS*.THydrogen-bonded Turntrans-115.7-20.7-178.2-68.71566000113P603P603-Q606 HydrophobicContact CG-CB 4.16Å; P603-Q606 HydrophobicContact CG-CG 4.46Å; P603-Q606 PolarHBondContact O-N 2.85Å
607A71.8Confident77Confident7 Ų756 Ų566%0.05830%0.298CS..  trans-64139.5178.200000112.4F498 E602 P603 P609 F612F498-A607 HydrophobicContact CD2-CB 3.77Å; F498-A607 HydrophobicContact CE2-CB 4.42Å; E602-A607 HydrophobicContact CB-CB 3.7Å; E602-A607 WeakPolarHBondContact OE2-CA 3.49Å; P603-A607 WeakPolarHBondContact O-CB 3.41Å; P603-A607 PolarHBondContact O-N 3.4Å; A607-P609 VanDerWaalsContact O-CD 3.3Å; A607-P609 WeakPolarHBondContact O-CD 3.28Å; A607-F612 HydrophobicContact CB-CE2 4.06Å
608D77Confident76.5Confident83 Ų8349.1 Ų49.144%0.44427%0.273SS..  trans-78.2114.7156.3170.322.2000108.5C610 K611 F612D608-C610 PolarHBondContact O-N 3.15Å; D608-C610 VanDerWaalsContact O-N 3.15Å; D608-C610 WeakPolarHBondContact OD1-CB 3.35Å; D608-C610 PolarHBondContact OD1-N 3.28Å; D608-K611 HydrophobicContact CB-CB 4.04Å; D608-K611 VanDerWaalsContact O-CB 3.27Å; D608-K611 WeakPolarHBondContact O-CB 3.33Å; D608-K611 PolarHBondContact O-N 2.86Å; D608-K611 PolarHBondContact OD2-N 3.35Å; D608-F612 WeakPolarHBondContact O-CD2 3.19Å
609P72.9Confident76.4Confident7 Ų748.2 Ų48.25%0.04527%0.267CS..Hα-helixtrans-58.7-29.7178.5-24.937.9000112.8A607 K611 F612 L613 K623 A630A607-P609 VanDerWaalsContact O-CD 3.3Å; A607-P609 WeakPolarHBondContact O-CD 3.28Å; P609-K611 VanDerWaalsContact C-N 3.34Å; P609-F612 PolarHBondContact O-N 3.1Å; P609-L613 PolarHBondContact O-N 3.23Å; P609-L613 VanDerWaalsContact O-N 3.14Å; P609-K623 HydrophobicContact CG-CD 4.06Å; P609-K623 HydrophobicContact CG-CG 4.31Å; P609-A630 VanDerWaalsContact C-CB 3.46Å; P609-A630 HydrophobicContact CB-CB 3.43Å; P609-A630 VanDerWaalsContact CB-CB 3.43Å; P609-A630 VanDerWaalsContact CB-N 3.35Å; P609-A630 WeakPolarHBondContact O-CB 3.25Å
610C81.5Confident76.2Confident28 Ų2852.4 Ų52.419%0.18929%0.286CS..Hα-helixtrans-76.1-19.6177.8-71.20000113.7R551 D608 F612 C621R551-C610 PolarHBondContact NH2-O 2.8Å; D608-C610 PolarHBondContact O-N 3.15Å; D608-C610 VanDerWaalsContact O-N 3.15Å; D608-C610 WeakPolarHBondContact OD1-CB 3.35Å; D608-C610 PolarHBondContact OD1-N 3.28Å; C610-F612 PolarHBondContact O-N 2.83Å; C610-C621 WeakPolarHBondContact CA-SG 3.19Å; C610-C621 HydrophobicContact CB-CB 3.71Å; C610-C621 WeakPolarHBondContact CB-SG 3.29Å; C610-C621 WeakPolarHBondContact SG-CB 3.44Å; C610-C621 CovalentContact SG-SG 2.04Å; C610-C621 PolarHBondContact SG-SG 2.85Å
611K82.3Confident76.2Confident85 Ų8551.5 Ų51.537%0.3728%0.283SS..Hα-helixtrans-61.5-27.5167.8-173.4173.7174.1-177.40111.9R551 N600 E602 D608 P609R551-K611 VanDerWaalsContact CZ-O 3.23Å; R551-K611 PolarHBondContact NH1-O 2.92Å; R551-K611 PolarHBondContact NH2-O 2.84Å; N600-K611 WeakPolarHBondContact ND2-CE 3.22Å; N600-K611 PolarHBondContact ND2-NZ 3.29Å; N600-K611 WeakPolarHBondContact OD1-CE 3.25Å; N600-K611 PolarHBondContact OD1-NZ 3.3Å; E602-K611 WeakPolarHBondContact OE1-CD 3.31Å; E602-K611 VanDerWaalsContact OE1-CE 3.26Å; E602-K611 WeakPolarHBondContact OE1-CE 3.43Å; E602-K611 IonicContact OE1-NZ 2.72Å; E602-K611 PolarHBondContact OE1-NZ 3.05Å; D608-K611 HydrophobicContact CB-CB 4.04Å; D608-K611 VanDerWaalsContact O-CB 3.27Å; D608-K611 WeakPolarHBondContact O-CB 3.33Å; D608-K611 PolarHBondContact O-N 2.86Å; D608-K611 PolarHBondContact OD2-N 3.35Å; P609-K611 VanDerWaalsContact C-N 3.34Å
612F79Confident76Confident0 Ų052.7 Ų52.70%029%0.291CS..Hα-helixtrans-106.4-17.8-178.3-59.9-86.3000115F498 S500 L548 N549 N558 N600 E602 A607 D608 P609 C610F498-F612 HydrophobicContact CB-CD1 3.81Å; F498-F612 HydrophobicContact CB-CD2 3.56Å; F498-F612 HydrophobicContact CB-CE1 3.8Å; F498-F612 HydrophobicContact CB-CE2 3.57Å; F498-F612 HydrophobicContact CB-CG 3.69Å; F498-F612 HydrophobicContact CB-CZ 3.67Å; F498-F612 HydrophobicContact CD1-CB 4.28Å; F498-F612 HydrophobicContact CD1-CD2 4.44Å; F498-F612 HydrophobicContact CD1-CG 4.32Å; F498-F612 HydrophobicContact CG-CD2 4.02Å; F498-F612 HydrophobicContact CG-CE2 4.36Å; F498-F612 HydrophobicContact CG-CG 4.24Å; S500-F612 WeakPolarHBondContact OG-CD1 3.42Å; S500-F612 WeakPolarHBondContact OG-CE1 3.33Å; L548-F612 HydrophobicContact CD1-CB 3.98Å; N549-F612 PolarHBondContact ND2-O 2.81Å; N558-F612 WeakPolarHBondContact CB-O 3.48Å; N600-F612 VanDerWaalsContact ND2-CZ 3.33Å; N600-F612 WeakPolarHBondContact ND2-CZ 3.46Å; E602-F612 HydrophobicContact CB-CE2 4.08Å; E602-F612 HydrophobicContact CB-CZ 3.96Å; E602-F612 HydrophobicContact CG-CE2 4.47Å; E602-F612 HydrophobicContact CG-CZ 4.22Å; E602-F612 WeakPolarHBondContact OE2-CE2 3.46Å; A607-F612 HydrophobicContact CB-CE2 4.06Å; D608-F612 WeakPolarHBondContact O-CD2 3.19Å; P609-F612 PolarHBondContact O-N 3.1Å; C610-F612 PolarHBondContact O-N 2.83Å
613L78.3Confident75.9Confident20 Ų2056.2 Ų56.211%0.10531%0.306CS..  trans-92126.2174-172.360.2000112.1N549 R551 P609 A630 C632 P654N549-L613 WeakPolarHBondContact ND2-CA 3.46Å; R551-L613 PolarHBondContact NH2-O 3.42Å; P609-L613 PolarHBondContact O-N 3.23Å; P609-L613 VanDerWaalsContact O-N 3.14Å; L613-A630 HydrophobicContact CB-CB 3.73Å; L613-A630 HydrophobicContact CD2-CB 3.69Å; L613-A630 HydrophobicContact CG-CB 4.37Å; L613-C632 VanDerWaalsContact CD2-SG 3.57Å; L613-P654 HydrophobicContact CD1-CB 4.32Å
614A71.8Confident75.5Confident22 Ų2256.5 Ų56.518%0.18231%0.306CS..  trans-91.9136.6165.300000110.3N549 R551N549-A614 HydrophobicContact CB-CB 4.29Å; N549-A614 PolarHBondContact ND2-N 3.17Å; N549-A614 WeakPolarHBondContact OD1-CB 3.25Å; N549-A614 PolarHBondContact OD1-N 2.71Å; R551-A614 HydrophobicContact CG-CB 3.67Å
615C74.6Confident75.3Confident33 Ų3363.8 Ų63.822%0.22333%0.333CS..  trans-115.1151.4170.3-56.50000109.6A619 C632C615-A619 HydrophobicContact CB-CB 3.84Å; C615-C632 WeakPolarHBondContact CA-SG 3.22Å; C615-C632 HydrophobicContact CB-CB 3.84Å; C615-C632 WeakPolarHBondContact CB-SG 3.23Å; C615-C632 WeakPolarHBondContact SG-CA 3.46Å; C615-C632 WeakPolarHBondContact SG-CB 3.23Å; C615-C632 CovalentContact SG-SG 2.04Å; C615-C632 PolarHBondContact SG-SG 2.9Å
616G67.4Low75Confident46 Ų4668.4 Ų68.447%0.47434%0.343SS..  trans-64.6166.5175.100000112.8F618 A619G616-F618 PolarHBondContact O-N 2.72Å; G616-F618 VanDerWaalsContact O-N 3.08Å; G616-A619 PolarHBondContact O-N 2.83Å
617E67.6Low75.1Confident156 Ų15665 Ų6573%0.72933%0.332SS*.THydrogen-bonded Turntrans-52.6-36.7-171.8-173.5174.6175.400114.1K635E617-K635 PolarHBondContact O-NZ 3.42Å
618F69.1Low74.9Confident76 Ų7668.4 Ų68.433%0.33335%0.347SS..THydrogen-bonded Turntrans-90.93.3-178.8-49.3-57.7000114.3G616 K635 Y638 C659G616-F618 PolarHBondContact O-N 2.72Å; G616-F618 VanDerWaalsContact O-N 3.08Å; F618-K635 VanDerWaalsContact O-CB 3.27Å; F618-K635 WeakPolarHBondContact O-CB 3.32Å; F618-K635 VanDerWaalsContact O-CG 3.31Å; F618-K635 WeakPolarHBondContact O-CG 3.47Å; F618-K635 PolarHBondContact O-N 3.35Å; F618-Y638 HydrophobicContact CB-CD1 3.83Å; F618-Y638 HydrophobicContact CB-CE1 3.94Å; F618-Y638 HydrophobicContact CB-CG 4.21Å; F618-Y638 HydrophobicContact CD1-CD1 4.13Å; F618-Y638 AromaticContact CD1-CE1 3.36Å; F618-Y638 HydrophobicContact CD1-CE1 3.36Å; F618-Y638 AromaticContact CD1-CZ 3.66Å; F618-Y638 HydrophobicContact CE1-CE1 4.06Å; F618-Y638 HydrophobicContact CG-CD1 4Å; F618-Y638 AromaticContact CG-CE1 3.7Å; F618-Y638 HydrophobicContact CG-CE1 3.7Å; F618-C659 HydrophobicContact CB-CB 3.65Å
619A75.6Confident74.7Confident11 Ų1168.5 Ų68.59%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-112.8160.6176.200000112.1C615 G616 C632 R633 K635C615-A619 HydrophobicContact CB-CB 3.84Å; G616-A619 PolarHBondContact O-N 2.83Å; A619-C632 HydrophobicContact CB-CB 4.43Å; A619-R633 CarbonylContact C-O 3.58Å; A619-R633 VanDerWaalsContact CA-O 3.26Å; A619-R633 WeakPolarHBondContact CA-O 3.33Å; A619-R633 WeakPolarHBondContact CB-O 3.17Å; A619-K635 WeakPolarHBondContact O-CE 3.45Å
620Q81.3Confident74.9Confident115 Ų11569.5 Ų69.554%0.53735%0.353SS..EExtended strand (participates in β ladder)trans-126.6136.9174177.2171.1-2.900108.5R633 K635Q620-R633 PolarHBondContact N-O 3.48Å; Q620-R633 PolarHBondContact O-N 3.42Å; Q620-K635 HydrophobicContact CB-CG 4.2Å
621C84.1Confident74.5Confident28 Ų2869.3 Ų69.319%0.18935%0.35CS..EExtended strand (participates in β ladder)trans-74.3134171-174.60000110.1C610 E631C610-C621 WeakPolarHBondContact CA-SG 3.19Å; C610-C621 HydrophobicContact CB-CB 3.71Å; C610-C621 WeakPolarHBondContact CB-SG 3.29Å; C610-C621 WeakPolarHBondContact SG-CB 3.44Å; C610-C621 CovalentContact SG-SG 2.04Å; C610-C621 PolarHBondContact SG-SG 2.85Å; C621-E631 WeakPolarHBondContact CA-O 3.23Å
622V82.1Confident74.3Confident47 Ų4765.7 Ų65.729%0.28534%0.335SS..EExtended strand (participates in β ladder)trans-129.6148.1170.7-65.20000109.5E631 R633V622-E631 HydrophobicContact CG2-CB 4.38Å; V622-E631 PolarHBondContact N-O 2.69Å; V622-E631 PolarHBondContact O-N 2.75Å; V622-R633 HydrophobicContact CG2-CB 4.25Å; V622-R633 HydrophobicContact CG2-CG 3.76Å
623K81.9Confident74.3Confident107 Ų10770.7 Ų70.747%0.46535%0.354SS..EExtended strand (participates in β ladder)trans-82.6122.3169.7-173.8170.4-176.7165.30108.7P609 E625 E628 E629P609-K623 HydrophobicContact CG-CD 4.06Å; P609-K623 HydrophobicContact CG-CG 4.31Å; K623-E625 PolarHBondContact O-N 3.18Å; K623-E628 WeakPolarHBondContact CE-O 3.35Å; K623-E629 CarbonylContact C-O 3.37Å; K623-E629 WeakPolarHBondContact CA-O 3.4Å
624N74.8Confident74.2Confident29 Ų2970.7 Ų70.716%0.15536%0.355CS..  trans-74.9123.2178.1-179.1-50.5000109.9R626 T627 E628 E629 E631N624-R626 PolarHBondContact O-N 3.05Å; N624-R626 PolarHBondContact OD1-N 3.02Å; N624-T627 WeakPolarHBondContact CB-OG1 3.28Å; N624-T627 PolarHBondContact OD1-N 2.83Å; N624-E628 WeakPolarHBondContact O-CA 3.42Å; N624-E628 PolarHBondContact O-N 3.03Å; N624-E629 PolarHBondContact N-O 3.29Å; N624-E631 PolarHBondContact ND2-OE2 3.48Å
625E71.6Confident74.4Confident193 Ų19373.5 Ų73.590%0.90236%0.363SS*.THydrogen-bonded Turntrans-65.6-22.2-174.1-59.9-176.5155.900114.1K623K623-E625 PolarHBondContact O-N 3.18Å
626R63.8Low74.2Confident200 Ų20078 Ų7876%0.75539%0.392SS*.THydrogen-bonded Turntrans-89.8-39.1-179.8-69179.7176.2151.7-1.2113N624 E648N624-R626 PolarHBondContact O-N 3.05Å; N624-R626 PolarHBondContact OD1-N 3.02Å; R626-E648 IonicContact NH1-OE1 3.61Å
627T68.1Low73.8Confident71 Ų7178.1 Ų78.144%0.43639%0.393SS..THydrogen-bonded Turntrans-95.3-17.4-176.861.40000113.5N624 E629N624-T627 WeakPolarHBondContact CB-OG1 3.28Å; N624-T627 PolarHBondContact OD1-N 2.83Å; T627-E629 PolarHBondContact O-N 3.26Å; T627-E629 PolarHBondContact OG1-N 3.04Å
628E68.2Low73.3Confident79 Ų7973.9 Ų73.937%0.36937%0.371SS..  trans62.812.9-169-60164.1111.600113.2K491 R493 K623 N624K491-E628 IonicContact NZ-OE1 2.84Å; R493-E628 IonicContact CZ-OE2 3.23Å; R493-E628 IonicContact NH1-OE2 3.94Å; R493-E628 PolarHBondContact NH1-OE2 2.95Å; R493-E628 IonicContact NH2-OE2 3.24Å; R493-E628 PolarHBondContact NH2-OE2 3.03Å; R493-E628 VanDerWaalsContact NH2-OE2 3.11Å; K623-E628 WeakPolarHBondContact CE-O 3.35Å; N624-E628 WeakPolarHBondContact O-CA 3.42Å; N624-E628 PolarHBondContact O-N 3.03Å
629E72.8Confident72.8Confident85 Ų8575 Ų7540%0.39738%0.381SS..SBendtrans-100.1165.3-179.9-56.8-166.3129.200112.8K560 K623 N624 T627K560-E629 IonicContact NZ-OE1 3.71Å; K560-E629 PolarHBondContact NZ-OE1 3.32Å; K623-E629 CarbonylContact C-O 3.37Å; K623-E629 WeakPolarHBondContact CA-O 3.4Å; N624-E629 PolarHBondContact N-O 3.29Å; T627-E629 PolarHBondContact O-N 3.26Å; T627-E629 PolarHBondContact OG1-N 3.04Å
630A76.4Confident71.9Confident28 Ų2875.7 Ų75.723%0.23139%0.385CS..EExtended strand (participates in β ladder)trans-81.3140.217300000111.8P609 L613P609-A630 VanDerWaalsContact C-CB 3.46Å; P609-A630 HydrophobicContact CB-CB 3.43Å; P609-A630 VanDerWaalsContact CB-CB 3.43Å; P609-A630 VanDerWaalsContact CB-N 3.35Å; P609-A630 WeakPolarHBondContact O-CB 3.25Å; L613-A630 HydrophobicContact CB-CB 3.73Å; L613-A630 HydrophobicContact CD2-CB 3.69Å; L613-A630 HydrophobicContact CG-CB 4.37Å
631E74.7Confident70.3Confident24 Ų2476.9 Ų76.911%0.11239%0.391CS..EExtended strand (participates in β ladder)trans-135.2136179.5-168.1-170.9128.800108.6C621 V622 N624 R633 L651C621-E631 WeakPolarHBondContact CA-O 3.23Å; V622-E631 HydrophobicContact CG2-CB 4.38Å; V622-E631 PolarHBondContact N-O 2.69Å; V622-E631 PolarHBondContact O-N 2.75Å; N624-E631 PolarHBondContact ND2-OE2 3.48Å; E631-R633 IonicContact OE1-CZ 3.85Å; E631-R633 VanDerWaalsContact OE1-CZ 3.24Å; E631-R633 IonicContact OE1-NE 3.98Å; E631-R633 PolarHBondContact OE1-NE 2.86Å; E631-R633 IonicContact OE1-NH2 3.19Å; E631-R633 PolarHBondContact OE1-NH2 2.96Å; E631-R633 IonicContact OE2-CZ 3.42Å; E631-R633 IonicContact OE2-NE 3.57Å; E631-R633 IonicContact OE2-NH2 2.7Å; E631-R633 PolarHBondContact OE2-NH2 3.45Å; E631-L651 VanDerWaalsContact CD-CD2 3.48Å; E631-L651 HydrophobicContact CG-CD2 3.89Å; E631-L651 WeakPolarHBondContact OE1-CD2 3.41Å
632C78.4Confident68.5Low9 Ų978.3 Ų78.36%0.06141%0.41CS..EExtended strand (participates in β ladder)trans-85120.1170.7-67.30000109L613 C615 A619 C652L613-C632 VanDerWaalsContact CD2-SG 3.57Å; C615-C632 WeakPolarHBondContact CA-SG 3.22Å; C615-C632 HydrophobicContact CB-CB 3.84Å; C615-C632 WeakPolarHBondContact CB-SG 3.23Å; C615-C632 WeakPolarHBondContact SG-CA 3.46Å; C615-C632 WeakPolarHBondContact SG-CB 3.23Å; C615-C632 CovalentContact SG-SG 2.04Å; C615-C632 PolarHBondContact SG-SG 2.9Å; A619-C632 HydrophobicContact CB-CB 4.43Å; C632-C652 WeakPolarHBondContact CB-O 3.38Å; C632-C652 WeakPolarHBondContact O-CB 3.39Å; C632-C652 PolarHBondContact O-N 3.31Å; C632-C652 VanDerWaalsContact O-O 3.06Å
633R77.1Confident66.2Low105 Ų10580.8 Ų80.840%0.39643%0.429SS..EExtended strand (participates in β ladder)trans-110.4140.2170.6-71.5-167-177.9171.63.4111A619 Q620 V622 E631A619-R633 CarbonylContact C-O 3.58Å; A619-R633 VanDerWaalsContact CA-O 3.26Å; A619-R633 WeakPolarHBondContact CA-O 3.33Å; A619-R633 WeakPolarHBondContact CB-O 3.17Å; Q620-R633 PolarHBondContact N-O 3.48Å; Q620-R633 PolarHBondContact O-N 3.42Å; V622-R633 HydrophobicContact CG2-CB 4.25Å; V622-R633 HydrophobicContact CG2-CG 3.76Å; E631-R633 IonicContact OE1-CZ 3.85Å; E631-R633 VanDerWaalsContact OE1-CZ 3.24Å; E631-R633 IonicContact OE1-NE 3.98Å; E631-R633 PolarHBondContact OE1-NE 2.86Å; E631-R633 IonicContact OE1-NH2 3.19Å; E631-R633 PolarHBondContact OE1-NH2 2.96Å; E631-R633 IonicContact OE2-CZ 3.42Å; E631-R633 IonicContact OE2-NE 3.57Å; E631-R633 IonicContact OE2-NH2 2.7Å; E631-R633 PolarHBondContact OE2-NH2 3.45Å
634C77.2Confident64.2Low21 Ų2182.9 Ų82.914%0.14245%0.445CS..EExtended strand (participates in β ladder)trans-62.5135.1177.9-30.40000109Y638 S640 C652 C659C634-Y638 WeakPolarHBondContact CB-O 3.38Å; C634-S640 VanDerWaalsContact SG-CB 3.59Å; C634-C652 HydrophobicContact CB-CB 4.43Å; C634-C652 WeakPolarHBondContact CB-SG 3.42Å; C634-C652 WeakPolarHBondContact SG-CB 3.34Å; C634-C652 CovalentContact SG-SG 2.06Å; C634-C652 PolarHBondContact SG-SG 2.87Å; C634-C659 HydrophobicContact CB-CB 3.96Å
635K75.3Confident62.3Low80 Ų8088.9 Ų88.935%0.34848%0.477SS..PPolyproline II helixtrans-68.1152.3-175.2-76.6170.1178.1162.10111.4E617 F618 A619 Q620 G637 Y638E617-K635 PolarHBondContact O-NZ 3.42Å; F618-K635 VanDerWaalsContact O-CB 3.27Å; F618-K635 WeakPolarHBondContact O-CB 3.32Å; F618-K635 VanDerWaalsContact O-CG 3.31Å; F618-K635 WeakPolarHBondContact O-CG 3.47Å; F618-K635 PolarHBondContact O-N 3.35Å; A619-K635 WeakPolarHBondContact O-CE 3.45Å; Q620-K635 HydrophobicContact CB-CG 4.2Å; K635-G637 PolarHBondContact O-N 3.14Å; K635-G637 VanDerWaalsContact O-N 3.1Å; K635-Y638 HydrophobicContact CB-CD2 4.02Å; K635-Y638 HydrophobicContact CB-CE2 4.45Å; K635-Y638 PolarHBondContact O-N 2.84Å
636P71.4Confident60.6Low128 Ų12883.8 Ų83.883%0.83148%0.477SS*.THydrogen-bonded Turntrans-52.1119.4176-2735.3000112.3
637G59.7Low59.3Low48 Ų4881.4 Ų81.450%0.49548%0.478SS..THydrogen-bonded Turntrans105.6-4.8-173.500000115.4K635K635-G637 PolarHBondContact O-N 3.14Å; K635-G637 VanDerWaalsContact O-N 3.1Å
638Y56.8Low57.8Low67 Ų6783.6 Ų83.626%0.26348%0.483SS..EExtended strand (participates in β ladder)trans-128.9125.4177-54.7-105.3000109.8F618 C634 K635 C659 E660 V661F618-Y638 HydrophobicContact CB-CD1 3.83Å; F618-Y638 HydrophobicContact CB-CE1 3.94Å; F618-Y638 HydrophobicContact CB-CG 4.21Å; F618-Y638 HydrophobicContact CD1-CD1 4.13Å; F618-Y638 AromaticContact CD1-CE1 3.36Å; F618-Y638 HydrophobicContact CD1-CE1 3.36Å; F618-Y638 AromaticContact CD1-CZ 3.66Å; F618-Y638 HydrophobicContact CE1-CE1 4.06Å; F618-Y638 HydrophobicContact CG-CD1 4Å; F618-Y638 AromaticContact CG-CE1 3.7Å; F618-Y638 HydrophobicContact CG-CE1 3.7Å; C634-Y638 WeakPolarHBondContact CB-O 3.38Å; K635-Y638 HydrophobicContact CB-CD2 4.02Å; K635-Y638 HydrophobicContact CB-CE2 4.45Å; K635-Y638 PolarHBondContact O-N 2.84Å; Y638-C659 HydrophobicContact CD1-CB 4.43Å; Y638-C659 VanDerWaalsContact CD1-O 3.3Å; Y638-C659 WeakPolarHBondContact CD1-O 3.32Å; Y638-C659 HydrophobicContact CG-CB 4.32Å; Y638-E660 WeakPolarHBondContact CA-O 3.29Å; Y638-V661 HydrophobicContact CD1-CG2 4Å; Y638-V661 HydrophobicContact CE1-CB 4.43Å; Y638-V661 HydrophobicContact CE1-CG2 3.44Å; Y638-V661 VanDerWaalsContact CE1-CG2 3.44Å
639D57.8Low56.4Low100 Ų10086.1 Ų86.154%0.53551%0.507SS..EExtended strand (participates in β ladder)trans-104.7146.8-179.2-81.6-53.1000111.8Q641D639-Q641 PolarHBondContact O-N 3.19Å
640S56.8Low55.2Low26 Ų2683.1 Ų83.118%0.18250%0.498CS..EExtended strand (participates in β ladder)trans-74.4117.5163.554.40000109.1C634 G642 G650C634-S640 VanDerWaalsContact SG-CB 3.59Å; S640-G642 VanDerWaalsContact C-N 3.26Å; S640-G642 PolarHBondContact O-N 3.12Å; S640-G650 PolarHBondContact OG-N 3.16Å
641Q47.8Very low53.6Low140 Ų14085.4 Ų85.465%0.65451%0.506SS*.  trans-66.885.3173.1-172.395.419.400110.1D639 K657D639-Q641 PolarHBondContact O-N 3.19Å; Q641-K657 WeakPolarHBondContact O-CD 3.37Å; Q641-K657 PolarHBondContact O-NZ 2.96Å
642G45.3Very low52.2Low58 Ų5884.7 Ų84.760%0.59850%0.504SS*.PPolyproline II helixtrans-55.3148.3-177.200000112.7S640S640-G642 VanDerWaalsContact C-N 3.26Å; S640-G642 PolarHBondContact O-N 3.12Å
643S33.8Very low50.3Low99 Ų9985.9 Ų85.969%0.69252%0.517SS*.PPolyproline II helixtrans-68.4161.4163.2-170.10000109.3
644L39.7Very low48.7Very low150 Ų15084.4 Ų84.479%0.78552%0.521SS*.SBendtrans-58.5156.4149.5-79.771.3000108.1
645D35.3Very low47.2Very low155 Ų15584.4 Ų84.483%0.82953%0.525SS*.SBendtrans8665.9-176.2-47.8-29.7000116.6L647D645-L647 PolarHBondContact O-N 3.37Å
646G36Very low45.5Very low87 Ų8784.1 Ų84.190%0.89753%0.53SS*.  75.74122.300000121.1
647L36.8Very low44.3Very low150 Ų15084 Ų8479%0.78552%0.516SS*.PPolyproline II helixtrans-101158.4175.5-140.370.1000112.7D645 L651D645-L647 PolarHBondContact O-N 3.37Å; L647-L651 HydrophobicContact CD2-CD1 4.37Å
648E37.3Very low43.9Very low116 Ų11689 Ų8954%0.54253%0.527SS..PPolyproline II helixtrans-54.2129.3-171-74.9-178.5142.400112.9R626 L651R626-E648 IonicContact NH1-OE1 3.61Å; E648-L651 HydrophobicContact CB-CD1 4.25Å
649P38.3Very low43.8Very low133 Ų13386.4 Ų86.486%0.86452%0.518SS*.THydrogen-bonded Turntrans-70.113318028.6-34.2000111.4
650G46.8Very low43.4Very low21 Ų2187.1 Ų87.122%0.21652%0.518CS..THydrogen-bonded Turntrans112.2-4.4178.400000115.6S640 C652S640-G650 PolarHBondContact OG-N 3.16Å; G650-C652 VanDerWaalsContact C-N 3.29Å; G650-C652 PolarHBondContact O-N 3.44Å
651L43.2Very low42.9Very low76 Ų7690.4 Ų90.440%0.39854%0.537SS..BIsolated β-bridgetrans-70.279.9172.7-82.8159.7000111.4E631 L647 E648 G653E631-L651 VanDerWaalsContact CD-CD2 3.48Å; E631-L651 HydrophobicContact CG-CD2 3.89Å; E631-L651 WeakPolarHBondContact OE1-CD2 3.41Å; L647-L651 HydrophobicContact CD2-CD1 4.37Å; E648-L651 HydrophobicContact CB-CD1 4.25Å; L651-G653 VanDerWaalsContact C-N 3.29Å; L651-G653 PolarHBondContact O-N 3.04Å
652C44.7Very low42.9Very low10 Ų1087.7 Ų87.77%0.06853%0.527CS..  trans-6984.5168.2-92.10000109.2C632 C634 G650 C659C632-C652 WeakPolarHBondContact CB-O 3.38Å; C632-C652 WeakPolarHBondContact O-CB 3.39Å; C632-C652 PolarHBondContact O-N 3.31Å; C632-C652 VanDerWaalsContact O-O 3.06Å; C634-C652 HydrophobicContact CB-CB 4.43Å; C634-C652 WeakPolarHBondContact CB-SG 3.42Å; C634-C652 WeakPolarHBondContact SG-CB 3.34Å; C634-C652 CovalentContact SG-SG 2.06Å; C634-C652 PolarHBondContact SG-SG 2.87Å; G650-C652 VanDerWaalsContact C-N 3.29Å; G650-C652 PolarHBondContact O-N 3.44Å; C652-C659 PolarHBondContact SG-SG 3.44Å
653G39.1Very low42.7Very low33 Ų3394.4 Ų94.434%0.3454%0.542SS..  trans-56.8150-173.800000114.1L651 G655 T656L651-G653 VanDerWaalsContact C-N 3.29Å; L651-G653 PolarHBondContact O-N 3.04Å; G653-G655 PolarHBondContact O-N 3.11Å; G653-T656 PolarHBondContact O-N 3.46Å
654P43.2Very low43.2Very low75 Ų7593.2 Ų93.249%0.48755%0.546SS..THydrogen-bonded Turntrans-69.690.2-172.529.2-35.8000111.5K515 L613K515-P654 VanDerWaalsContact CD-O 3.3Å; K515-P654 WeakPolarHBondContact CD-O 3.29Å; K515-P654 WeakPolarHBondContact CE-O 3.37Å; K515-P654 VanDerWaalsContact CG-O 3.25Å; K515-P654 WeakPolarHBondContact CG-O 3.35Å; L613-P654 HydrophobicContact CD1-CB 4.32Å
655G45.5Very low43.3Very low21 Ų2195.1 Ų95.122%0.21655%0.548CS..THydrogen-bonded Turntrans113.16.717100000117N514 K515 G653N514-G655 WeakPolarHBondContact CA-O 3.34Å; N514-G655 PolarHBondContact OD1-O 3.07Å; K515-G655 PolarHBondContact N-O 2.86Å; G653-G655 PolarHBondContact O-N 3.11Å
656T41Very low43.2Very low73 Ų7391.5 Ų91.545%0.44855%0.547SS..SBendtrans-146.7149.6172.940.60000114.6S516 G653S516-T656 VanDerWaalsContact OG-CG2 3.28Å; S516-T656 WeakPolarHBondContact OG-CG2 3.26Å; G653-T656 PolarHBondContact O-N 3.46Å
657K46.1Very low42.7Very low127 Ų12791.4 Ų91.455%0.55254%0.538SS*.SBendtrans65.4111.7-171.7-66.7-169.6170-175.10114Q641Q641-K657 WeakPolarHBondContact O-CD 3.37Å; Q641-K657 PolarHBondContact O-NZ 2.96Å
658E51.1Low42.8Very low153 Ų15389.9 Ų89.972%0.71554%0.537SS*.  trans-61.6144.3175.3-70.4154.5-136.200110.7E660E658-E660 HydrophobicContact CB-CG 4.37Å; E658-E660 PolarHBondContact O-N 3.36Å
659C54.2Low42.3Very low11 Ų1191.2 Ų91.27%0.07456%0.558CS.*EExtended strand (participates in β ladder)trans-77.797.2162.8-23.10000106F618 C634 Y638 C652F618-C659 HydrophobicContact CB-CB 3.65Å; C634-C659 HydrophobicContact CB-CB 3.96Å; Y638-C659 HydrophobicContact CD1-CB 4.43Å; Y638-C659 VanDerWaalsContact CD1-O 3.3Å; Y638-C659 WeakPolarHBondContact CD1-O 3.32Å; Y638-C659 HydrophobicContact CG-CB 4.32Å; C652-C659 PolarHBondContact SG-SG 3.44Å
660E49.9Very low41.9Very low115 Ų11595.4 Ų95.454%0.53756%0.556SS.*EExtended strand (participates in β ladder)trans-76.3147.9-179-73-174.4-138.700111.2Y638 E658 L662Y638-E660 WeakPolarHBondContact CA-O 3.29Å; E658-E660 HydrophobicContact CB-CG 4.37Å; E658-E660 PolarHBondContact O-N 3.36Å; E660-L662 PolarHBondContact O-N 3.01Å
661V46Very low40.9Very low96 Ų96102.8 Ų102.858%0.58259%0.59SS**EExtended strand (participates in β ladder)trans-67.2125.9171.5176.80000108.5Y638 Q663Y638-V661 HydrophobicContact CD1-CG2 4Å; Y638-V661 HydrophobicContact CE1-CB 4.43Å; Y638-V661 HydrophobicContact CE1-CG2 3.44Å; Y638-V661 VanDerWaalsContact CE1-CG2 3.44Å; V661-Q663 PolarHBondContact O-N 3.01Å
662L46.9Very low40.6Very low83 Ų83103.4 Ų103.444%0.43560%0.598SS.*  trans-58.998.2171.8-74.3172.6000111.4E660 G664 K665E660-L662 PolarHBondContact O-N 3.01Å; L662-G664 PolarHBondContact O-N 3.5Å; L662-K665 PolarHBondContact O-N 2.87Å
663Q42.6Very low39.8Very low198 Ų198109.8 Ų109.893%0.92563%0.632SS**THydrogen-bonded Turntrans-61.894.4174.7-72.6-16415.800110.5V661V661-Q663 PolarHBondContact O-N 3.01Å
664G43.9Very low39.3Very low75 Ų75115.8 Ų115.877%0.77365%0.65SS**THydrogen-bonded Turntrans135.9-9.9170.400000116.9L662L662-G664 PolarHBondContact O-N 3.5Å
665K41.4Very low38.7Very low190 Ų190116.9 Ų116.983%0.82666%0.66SS**  trans-132.829.8-177.8-72.4-166.1176.3-178.90116.6L662 A667L662-K665 PolarHBondContact O-N 2.87Å; K665-A667 VanDerWaalsContact C-N 3.34Å; K665-A667 PolarHBondContact O-N 3.43Å
666G32.6Very low38Very low79 Ų79124.8 Ų124.881%0.81469%0.691SS**  trans-76.176.2163.900000112.7
667A26.4Very low37.5Very low84 Ų84128.6 Ų128.669%0.69471%0.709SS**  trans-72.6138.1171.500000110.7K665 C669K665-A667 VanDerWaalsContact C-N 3.34Å; K665-A667 PolarHBondContact O-N 3.43Å; A667-C669 PolarHBondContact O-N 3.33Å
668P37.6Very low36.7Very low119 Ų119131.7 Ų131.777%0.77373%0.725SS**  trans-80112.2-169.730.3-34.7000112.7R670P668-R670 VanDerWaalsContact C-N 3.3Å; P668-R670 PolarHBondContact O-N 2.52Å
669C26.9Very low35.6Very low144 Ų144128.3 Ų128.397%0.97372%0.724SS**  trans-6985.6164.7-73.30000110.7A667A667-C669 PolarHBondContact O-N 3.33Å
670R30.3Very low34.4Very low221 Ų221138.1 Ų138.183%0.83476%0.761SS**  trans-135.5111.2170.4-166.4179.9-162.4150.76.3110.3P668P668-R670 VanDerWaalsContact C-N 3.3Å; P668-R670 PolarHBondContact O-N 2.52Å
671L26.8Very low33.4Very low175 Ų175141.4 Ų141.492%0.91677%0.773SS**  trans-116.1135.9160.5-89.5162.4000108.1
672P35.6Very low32.6Very low89 Ų89143.6 Ų143.658%0.57879%0.787SS**  trans-106.6172.9-164.541.5-37.1000114.7
673D29.3Very low31.7Very low144 Ų144144.6 Ų144.677%0.7780%0.801SS**  trans70.9153160.9-55.2-35000116.7
674H28.3Very low31.2Very low159 Ų159141.1 Ų141.174%0.73679%0.793SS**  cis-150.3137.919-160.9-82.4000113.6
675S30Very low30.5Very low99 Ų99146.9 Ų146.969%0.69280%0.797SS**  trans61.8160161.950.30000118.9
676E31.6Very low29.9Very low186 Ų186145.9 Ų145.987%0.86979%0.792SS**  cis-123.3173.68.9-79.1-167.4121.300114.4
677N29.5Very low29.7Very low153 Ų153152.4 Ų152.482%0.81880%0.799SS**  trans-103.5136.5178.9-69.4-86.9000113.1
678Q29.5Very low29.8Very low192 Ų192155.2 Ų155.290%0.89780%0.797SS**  trans-166101.5140.7-108.215880.900108.5
679A29.4Very low29.5Very low82 Ų82156.7 Ų156.768%0.67880%0.799SS**  71.6109.366.800000114.6
680Y28.6Very low29.7Very low217 Ų217156.9 Ų156.985%0.85179%0.785SS**  -162.8141.7129.8-116.4-70.4000114.7
681K27.8Very low29.8Very low184 Ų184154.5 Ų154.580%0.878%0.784SS**  trans55.395.4158.2-91.7159.7-175.51740120.3
682T30.1Very low30Very low143 Ų143153.2 Ų153.288%0.87778%0.778SS**  trans-67162.5149.7-5.80000112.8
683S28.4Very low29.8Very low103 Ų103157 Ų15772%0.7279%0.793SS**  trans-143.3124.1154.954.60000112.8
684V30.4Very low29.9Very low125 Ų125157.8 Ų157.876%0.75879%0.79SS**  trans57.7121.1139.2-177.80000117.3
685K30.3Very low30Very low197 Ų197156.9 Ų156.986%0.85780%0.795SS**  cis-156.9166.831.8-137.5154.6-158.2170.80113.1
686K28.9Very low30Very low169 Ų169158 Ų15874%0.73579%0.792SS**  trans-59.3155.7-179.6-50.7172.8177.8-177.50114.6
687F28.6Very low29.9Very low216 Ų216154.3 Ų154.395%0.94779%0.787SS**  -148.8160.8110.9-112.7-77.2000111.4
688Q28.5Very low30Very low142 Ų142154.3 Ų154.366%0.66478%0.78SS**  trans-119.6135.1-175.5-71.9170.7-106.800112
689N31.3Very low30.2Very low150 Ų150155 Ų15580%0.80277%0.774SS**  trans-175.8124.2130.7-89.9-18.4000106.3
690Q31.2Very low30.2Very low148 Ų148157.1 Ų157.169%0.69277%0.774SS**  cis72.17937-158.5-169.460.800114.5
691Q32.8Very low30.3Very low171 Ų171150.1 Ų150.180%0.79976%0.757SS**  179.4109.6125-94.3162.648.300107.4
692N29.3Very low30.4Very low149 Ų149149.4 Ų149.480%0.79776%0.756SS**  47.2104.585-79.7-8.6000114.2
693N32.5Very low30.5Very low169 Ų169151 Ų15190%0.90476%0.758SS**  -149.8163.5111.2-125.6-29.8000113.8
694K30.9Very low30.6Very low159 Ų159153.5 Ų153.569%0.69176%0.763SS**  trans-148.1110.8-156.2166.4-159.6169.9-176.60112.3I696K694-I696 HydrophobicContact CD-CD1 4.25Å; K694-I696 VanDerWaalsContact CE-CD1 3.43Å; K694-I696 HydrophobicContact CG-CD1 3.82Å; K694-I696 HydrophobicContact CG-CG1 4.22Å
695V31Very low30.6Very low141 Ų141153.9 Ų153.986%0.85577%0.766SS**  trans-157.1111.9159.6171.10000104.6
696I30Very low30.5Very low121 Ų121150.8 Ų150.862%0.62176%0.763SS**  cis72.4130.842-57.1-177.7000113.6K694K694-I696 HydrophobicContact CD-CD1 4.25Å; K694-I696 VanDerWaalsContact CE-CD1 3.43Å; K694-I696 HydrophobicContact CG-CD1 3.82Å; K694-I696 HydrophobicContact CG-CG1 4.22Å
697S29.9Very low30.6Very low109 Ų109150.8 Ų150.876%0.76277%0.766SS**  trans103127.9168.2-1630000114.7
698K30.6Very low30.6Very low153 Ų153149.9 Ų149.967%0.66576%0.757SS**  cis-178.5153.7-21.9-122.9169.2178.9171.60107.6
699R33.5Very low30.7Very low207 Ų207150.8 Ų150.878%0.78176%0.762SS**  trans66.8159.1153.9-70.1178.8179.8155.2-5.8115.4
700N30.3Very low30.6Very low126 Ų126151.4 Ų151.467%0.67476%0.76SS**  cis-144.3157.22.3-130.724.5000110.8
701S29.1Very low30.3Very low71 Ų71152.6 Ų152.650%0.49776%0.763SS.*  trans39.7110.9130.2-62.50000119.7
702E31.8Very low30.1Very low169 Ų169150.1 Ų150.179%0.7976%0.755SS**  83.4111.587.6-74.5160.6130.900113.7
703L30.9Very low30.2Very low175 Ų175150.4 Ų150.492%0.91675%0.751SS**  -170.4146.3110.4-100.6161.7000111.5
704L30.1Very low30.2Very low156 Ų156148.9 Ų148.982%0.81774%0.739SS**  trans-92.7-173170.7-79.7161.2000110
705T30.8Very low30.3Very low133 Ų133147.5 Ų147.582%0.81674%0.739SS**  trans92.2138.4174.173.80000115.4
706V29.4Very low30.2Very low132 Ų132152 Ų15280%0.874%0.741SS**  cis-147.1162.5-7.3107.90000112.4
707E30.1Very low30.5Very low169 Ų169154.2 Ų154.279%0.7975%0.749SS**  trans-96.5144.4-177.4164.3-178.5-124.500111.8
708Y28.4Very low30.8Very low197 Ų197152.2 Ų152.277%0.77375%0.745SS**  trans-169.2123153.9-93.3-69.3000105
709E29.9Very low31Very low161 Ų161156.7 Ų156.775%0.75278%0.776SS**  50.7142.287.4-49-173126.500112.9
710E30.1Very low30.8Very low164 Ų164154.2 Ų154.277%0.76678%0.776SS**  -167.414852.4-165.3176.2-171.100112.9
711F25.6Very low30.9Very low172 Ų172155.6 Ų155.675%0.75478%0.781SS**  trans51117.2152.5-82.2-130.5000124.8
712N28.6Very low31Very low119 Ų119160.3 Ų160.364%0.63680%0.797SS**  47.6138.4102.2-91.8-5.4000124
713H30.7Very low30.9Very low155 Ų155159.8 Ų159.872%0.71880%0.798SS**  trans65.4154153.7-66.5-66.7000118.6
714Q31.5Very low30.9Very low137 Ų137158.9 Ų158.964%0.6479%0.79SS**  cis-172.1157.3-23.7167.9165.8-28.900109.1
715D33.6Very low31Very low131 Ų131159.1 Ų159.170%0.70179%0.788SS**  trans56.3125.8167-60.2-24.1000120.4
716W29.8Very low31Very low235 Ų235160.9 Ų160.989%0.8979%0.787SS**  -160.9154110.7-132.5-55000112.7
717E35.7Very low31.1Very low168 Ų168163.2 Ų163.279%0.78579%0.785SS**  trans-64.3161.6175.6-48.9153.810800115.7
718G37.1Very low31.2Very low67 Ų67162.7 Ų162.769%0.69179%0.785SS**  97.883.8122.800000120.3
719N32.9Very low31.4Very low246 Ų246159.5 Ų159.5100%1.31679%0.786SS**  -175.10118.7-93.2-57.2000111.2

Retrieved 719 of 719 residues in 3101.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).