A0A096LRT0_POEFO Loading...

Discs large MAGUK scaffold protein 3

AlphaFold DB , UniProt , Accession A0A096LRT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 908 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low40.9Very low242 Ų242135.5 Ų135.5100%1.19275%0.745SS**  0122.90-70.3167.5173.600107.2
2T26.7Very low43.8Very low140 Ų140129.8 Ų129.886%0.85971%0.708SS**  trans-138.7119.3-179.1360000107.1Q4T2-Q4 PolarHBondContact O-N 2.76Å
3F29.3Very low46.3Very low200 Ų200132.2 Ų132.288%0.87770%0.702SS**  trans-70.2117.1-177.3-83.4-93.9000110.4V5F3-V5 HydrophobicContact CB-CG2 4.43Å; F3-V5 PolarHBondContact O-N 2.75Å
4Q27.4Very low48.8Very low190 Ų190127.6 Ų127.689%0.88868%0.678SS**  trans-84.386.7170.6-172.7172.72.700108.3T2 A6T2-Q4 PolarHBondContact O-N 2.76Å; Q4-A6 PolarHBondContact O-N 3.19Å
5V30.5Very low51Low125 Ų125119.4 Ų119.476%0.75863%0.634SS**  trans-74.593.9174-177.50000108.4F3F3-V5 HydrophobicContact CB-CG2 4.43Å; F3-V5 PolarHBondContact O-N 2.75Å
6A31.6Very low53Low70 Ų70119 Ų11958%0.57963%0.628SS**  trans-62.7146.8156.300000108.7Q4 S8Q4-A6 PolarHBondContact O-N 3.19Å; A6-S8 PolarHBondContact O-N 2.65Å
7P35.1Very low54.8Low119 Ų119120.9 Ų120.977%0.77362%0.624SS**  trans-64.9105.1175.327.1-33.3000109.5M9P7-M9 PolarHBondContact O-N 3.1Å; P7-M9 VanDerWaalsContact O-N 3.12Å
8S44.2Very low56.4Low108 Ų108116.3 Ų116.376%0.75561%0.608SS**  trans-66109.2173.354.30000109.1A6A6-S8 PolarHBondContact O-N 2.65Å
9M57.6Low58.1Low119 Ų119110.8 Ų110.859%0.58658%0.579SS**  trans-67.6148.6176.5-64.5-174.3-65.800110.1P7P7-M9 PolarHBondContact O-N 3.1Å; P7-M9 VanDerWaalsContact O-N 3.12Å
10V61.3Low59.5Low79 Ų79107.2 Ų107.248%0.47957%0.57SS.*  trans-91.2115.2-173.9-179.40000108.8T15V10-T15 WeakPolarHBondContact CG1-OG1 3.45Å
11H71.6Confident60.9Low98 Ų98106.8 Ų106.845%0.45457%0.567SS.*  trans-81.9159.9175.2-63.5-70.4000111.8Y13 D14 T15H11-Y13 VanDerWaalsContact C-N 3.31Å; H11-Y13 PolarHBondContact O-N 3.15Å; H11-D14 IonicContact CD2-OD2 3.83Å; H11-D14 PolarHBondContact O-N 3.25Å; H11-D14 VanDerWaalsContact O-N 3.14Å; H11-T15 PolarHBondContact O-N 3.36Å; H11-T15 PolarHBondContact O-OG1 2.83Å
12K75.6Confident63.5Low67 Ų6797.4 Ų97.429%0.29152%0.522SS..Hα-helixtrans-57.6-43178.5-166.9166.9-179.6170.80112.4D14 T15 E16 L57 D58K12-D14 PolarHBondContact O-N 2.8Å; K12-T15 WeakPolarHBondContact O-CB 3.45Å; K12-T15 PolarHBondContact O-N 3.23Å; K12-E16 WeakPolarHBondContact O-CG 3.2Å; K12-E16 PolarHBondContact O-N 3.27Å; K12-L57 HydrophobicContact CG-CD1 4.45Å; K12-D58 IonicContact NZ-OD1 2.78Å; K12-D58 PolarHBondContact NZ-OD1 2.7Å
13Y76.9Confident66.4Low161 Ų16197.2 Ų97.263%0.63151%0.505SS*.Hα-helixtrans-57.7-43.7173.7-179.7-98.7000113.2H11 T15 E16 R17H11-Y13 VanDerWaalsContact C-N 3.31Å; H11-Y13 PolarHBondContact O-N 3.15Å; Y13-T15 VanDerWaalsContact C-N 3.33Å; Y13-T15 PolarHBondContact O-N 2.88Å; Y13-E16 PolarHBondContact O-N 2.86Å; Y13-R17 VanDerWaalsContact O-CB 3.27Å; Y13-R17 WeakPolarHBondContact O-CB 3.43Å; Y13-R17 PolarHBondContact O-N 2.91Å
14D80.6Confident69.2Low68 Ų6893.6 Ų93.636%0.36449%0.491SS..Hα-helixtrans-68.3-34.7178.2-65.1-54.6000111.8H11 K12 A18H11-D14 IonicContact CD2-OD2 3.83Å; H11-D14 PolarHBondContact O-N 3.25Å; H11-D14 VanDerWaalsContact O-N 3.14Å; K12-D14 PolarHBondContact O-N 2.8Å; D14-A18 VanDerWaalsContact O-CB 3.23Å; D14-A18 WeakPolarHBondContact O-CB 3.48Å; D14-A18 PolarHBondContact O-N 3.47Å
15T82.1Confident72.1Confident5 Ų590.4 Ų90.43%0.03147%0.472CS..Hα-helixtrans-64.2-48.5172.8-58.90000111.4V10 H11 K12 Y13 R17 A18 V19 L48 F53 L57V10-T15 WeakPolarHBondContact CG1-OG1 3.45Å; H11-T15 PolarHBondContact O-N 3.36Å; H11-T15 PolarHBondContact O-OG1 2.83Å; K12-T15 WeakPolarHBondContact O-CB 3.45Å; K12-T15 PolarHBondContact O-N 3.23Å; Y13-T15 VanDerWaalsContact C-N 3.33Å; Y13-T15 PolarHBondContact O-N 2.88Å; T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.43Å; T15-A18 PolarHBondContact O-N 3.19Å; T15-V19 WeakPolarHBondContact O-CB 3.44Å; T15-V19 WeakPolarHBondContact O-CG2 3.31Å; T15-V19 PolarHBondContact O-N 3.46Å; T15-L48 HydrophobicContact CG2-CB 4.25Å; T15-F53 HydrophobicContact CG2-CD1 4.04Å; T15-F53 HydrophobicContact CG2-CE1 3.7Å; T15-L57 HydrophobicContact CG2-CD1 3.98Å
16E82.1Confident74.8Confident113 Ų11387 Ų8753%0.52845%0.447SS..Hα-helixtrans-61-43.5177.5-71.8-178.4172.900111.7K12 Y13 V19 G20K12-E16 WeakPolarHBondContact O-CG 3.2Å; K12-E16 PolarHBondContact O-N 3.27Å; Y13-E16 PolarHBondContact O-N 2.86Å; E16-V19 PolarHBondContact O-N 3.26Å; E16-G20 PolarHBondContact O-N 3.38Å
17R84.2Confident77.4Confident151 Ų15186.7 Ų86.757%0.5745%0.445SS*.Hα-helixtrans-62.2-43.4175.3-173.5178.8178.7-156.90.9112Y13 T15 G20 L21Y13-R17 VanDerWaalsContact O-CB 3.27Å; Y13-R17 WeakPolarHBondContact O-CB 3.43Å; Y13-R17 PolarHBondContact O-N 2.91Å; T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.43Å; R17-G20 PolarHBondContact O-N 3Å; R17-L21 HydrophobicContact CG-CD1 4.28Å; R17-L21 WeakPolarHBondContact O-CG 3.39Å; R17-L21 PolarHBondContact O-N 3.04Å
18A84.4Confident79.9Confident39 Ų3986.4 Ų86.432%0.32244%0.437SS..Hα-helixtrans-64.3-42.9175.100000111.9D14 T15 G20 L21 L22D14-A18 VanDerWaalsContact O-CB 3.23Å; D14-A18 WeakPolarHBondContact O-CB 3.48Å; D14-A18 PolarHBondContact O-N 3.47Å; T15-A18 PolarHBondContact O-N 3.19Å; A18-G20 VanDerWaalsContact C-N 3.32Å; A18-G20 PolarHBondContact O-N 3.16Å; A18-L21 PolarHBondContact O-N 3.19Å; A18-L22 WeakPolarHBondContact O-CB 3.34Å; A18-L22 WeakPolarHBondContact O-CG 3.43Å; A18-L22 PolarHBondContact O-N 2.97Å
19V87.7Confident82Confident12 Ų1281.6 Ų81.67%0.07340%0.403CS..Hα-helixtrans-60.2-41.5174.61670000111.3T15 E16 R23 L48T15-V19 WeakPolarHBondContact O-CB 3.44Å; T15-V19 WeakPolarHBondContact O-CG2 3.31Å; T15-V19 PolarHBondContact O-N 3.46Å; E16-V19 PolarHBondContact O-N 3.26Å; V19-R23 VanDerWaalsContact CG1-CZ 3.5Å; V19-R23 VanDerWaalsContact O-CG 3.3Å; V19-R23 WeakPolarHBondContact O-CG 3.38Å; V19-R23 PolarHBondContact O-N 3.12Å; V19-R23 VanDerWaalsContact O-N 3.08Å; V19-L48 HydrophobicContact CG2-CB 3.46Å; V19-L48 VanDerWaalsContact CG2-CB 3.46Å; V19-L48 HydrophobicContact CG2-CD1 4.38Å
20G86Confident83.2Confident37 Ų3781.5 Ų81.538%0.38141%0.409SS..Hα-helixtrans-61.3-51.5174.400000112.8E16 R17 A18 L22 R23 Q24E16-G20 PolarHBondContact O-N 3.38Å; R17-G20 PolarHBondContact O-N 3Å; A18-G20 VanDerWaalsContact C-N 3.32Å; A18-G20 PolarHBondContact O-N 3.16Å; G20-L22 PolarHBondContact O-N 2.9Å; G20-R23 PolarHBondContact O-N 2.97Å; G20-Q24 PolarHBondContact O-N 3.31Å
21L89.8Confident84.4Confident99 Ų9979.8 Ų79.852%0.51840%0.4SS..Hα-helixtrans-61.2-41.8178.2-71.3167.9000112.3R17 A18 R23 Q24 Y25R17-L21 HydrophobicContact CG-CD1 4.28Å; R17-L21 WeakPolarHBondContact O-CG 3.39Å; R17-L21 PolarHBondContact O-N 3.04Å; A18-L21 PolarHBondContact O-N 3.19Å; L21-R23 PolarHBondContact O-N 2.86Å; L21-Q24 PolarHBondContact O-N 3.24Å; L21-Y25 WeakPolarHBondContact O-CB 3.35Å; L21-Y25 PolarHBondContact O-N 3.47Å
22L88.4Confident84.6Confident45 Ų4580.6 Ų80.624%0.23642%0.415CS..Hα-helixtrans-63.2-39176.3-72.6167.2000112A18 G20 Q26 V41 V44 L48A18-L22 WeakPolarHBondContact O-CB 3.34Å; A18-L22 WeakPolarHBondContact O-CG 3.43Å; A18-L22 PolarHBondContact O-N 2.97Å; G20-L22 PolarHBondContact O-N 2.9Å; L22-Q26 VanDerWaalsContact O-CB 3.29Å; L22-Q26 WeakPolarHBondContact O-CB 3.26Å; L22-Q26 PolarHBondContact O-N 3.19Å; L22-V41 HydrophobicContact CB-CG1 4.2Å; L22-V41 HydrophobicContact CD2-CG1 4.07Å; L22-V41 VanDerWaalsContact O-CG1 3.32Å; L22-V41 WeakPolarHBondContact O-CG1 3.45Å; L22-V44 HydrophobicContact CD1-CG1 3.96Å; L22-L48 HydrophobicContact CD1-CD1 3.92Å
23R88Confident84.7Confident137 Ų13786 Ų8652%0.51744%0.441SS..Hα-helixtrans-68.3-40.8175.4-71.9172.9-173.3178.74.1112.1V19 G20 L21 Q26 A27 S45V19-R23 VanDerWaalsContact CG1-CZ 3.5Å; V19-R23 VanDerWaalsContact O-CG 3.3Å; V19-R23 WeakPolarHBondContact O-CG 3.38Å; V19-R23 PolarHBondContact O-N 3.12Å; V19-R23 VanDerWaalsContact O-N 3.08Å; G20-R23 PolarHBondContact O-N 2.97Å; L21-R23 PolarHBondContact O-N 2.86Å; R23-Q26 PolarHBondContact O-N 3.07Å; R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.16Å; R23-S45 VanDerWaalsContact CG-OG 3.26Å; R23-S45 WeakPolarHBondContact CG-OG 3.3Å; R23-S45 PolarHBondContact NE-OG 3.21Å; R23-S45 VanDerWaalsContact NE-OG 3.09Å
24Q88.6Confident85Confident124 Ų12481.8 Ų81.858%0.57943%0.427SS*.Hα-helixtrans-63.7-43.2175.6-170.3177.710.300111.4G20 L21 A27 N28G20-Q24 PolarHBondContact O-N 3.31Å; L21-Q24 PolarHBondContact O-N 3.24Å; Q24-A27 PolarHBondContact O-N 3.07Å; Q24-N28 PolarHBondContact O-N 2.86Å
25Y87.9Confident85.1Confident122 Ų12283.8 Ų83.848%0.47843%0.434SS..Hα-helixtrans-63.1-45174.3-173.2-110.1000111.6L21 A27 N28 L29 L37 V41L21-Y25 WeakPolarHBondContact O-CB 3.35Å; L21-Y25 PolarHBondContact O-N 3.47Å; Y25-A27 VanDerWaalsContact C-N 3.27Å; Y25-A27 PolarHBondContact O-N 2.72Å; Y25-N28 PolarHBondContact O-N 2.92Å; Y25-N28 VanDerWaalsContact O-N 3.14Å; Y25-L29 HydrophobicContact CD1-CD1 4.36Å; Y25-L29 HydrophobicContact CE1-CD1 4.1Å; Y25-L29 HydrophobicContact CE1-CD2 4.37Å; Y25-L29 HydrophobicContact CE1-CG 4.44Å; Y25-L29 PolarHBondContact O-N 3.4Å; Y25-L37 HydrophobicContact CE1-CD2 4.4Å; Y25-V41 HydrophobicContact CD1-CG1 4.44Å; Y25-V41 HydrophobicContact CD1-CG2 4.17Å; Y25-V41 HydrophobicContact CE1-CG2 4.32Å
26Q87.5Confident85.1Confident53 Ų5387 Ų8725%0.24846%0.462CS..Hα-helixtrans-60.2-34.4176.2-163.7-170.911.300113.1L22 R23 K38 V41L22-Q26 VanDerWaalsContact O-CB 3.29Å; L22-Q26 WeakPolarHBondContact O-CB 3.26Å; L22-Q26 PolarHBondContact O-N 3.19Å; R23-Q26 PolarHBondContact O-N 3.07Å; Q26-K38 HydrophobicContact CG-CG 3.76Å; Q26-K38 PolarHBondContact NE2-O 2.89Å; Q26-K38 WeakPolarHBondContact O-CE 3.38Å; Q26-V41 HydrophobicContact CB-CG1 3.87Å; Q26-V41 HydrophobicContact CG-CB 4.48Å; Q26-V41 HydrophobicContact CG-CG1 4.33Å
27A86.1Confident85.3Confident64 Ų6485.6 Ų85.653%0.52946%0.457SS..Hα-helixtrans-68.5-36.2176.700000112.4R23 Q24 Y25R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.16Å; Q24-A27 PolarHBondContact O-N 3.07Å; Y25-A27 VanDerWaalsContact C-N 3.27Å; Y25-A27 PolarHBondContact O-N 2.72Å
28N88.1Confident85.4Confident114 Ų11481.2 Ų81.261%0.6144%0.442SS*.Hα-helixtrans-75.6-27.5-178-67.3-10000113.6Q24 Y25 T30Q24-N28 PolarHBondContact O-N 2.86Å; Y25-N28 PolarHBondContact O-N 2.92Å; Y25-N28 VanDerWaalsContact O-N 3.14Å; N28-T30 PolarHBondContact O-N 3.01Å; N28-T30 PolarHBondContact O-OG1 2.69Å
29L86.9Confident85.4Confident6 Ų682.7 Ų82.73%0.03145%0.447CS..  trans-63116.5173.6-64.7173.9000109.5Y25 E34 L37 K38Y25-L29 HydrophobicContact CD1-CD1 4.36Å; Y25-L29 HydrophobicContact CE1-CD1 4.1Å; Y25-L29 HydrophobicContact CE1-CD2 4.37Å; Y25-L29 HydrophobicContact CE1-CG 4.44Å; Y25-L29 PolarHBondContact O-N 3.4Å; L29-E34 WeakPolarHBondContact CA-OE2 3.45Å; L29-E34 HydrophobicContact CB-CB 4.3Å; L29-E34 HydrophobicContact CD2-CB 4.19Å; L29-E34 HydrophobicContact CD2-CG 4.14Å; L29-L37 HydrophobicContact CD1-CB 4.39Å; L29-L37 HydrophobicContact CD1-CD2 4.09Å; L29-L37 HydrophobicContact CD1-CG 3.93Å; L29-L37 HydrophobicContact CD2-CD2 4.12Å; L29-K38 HydrophobicContact CB-CB 4.16Å; L29-K38 HydrophobicContact CB-CD 4.15Å; L29-K38 HydrophobicContact CB-CG 4.24Å; L29-K38 HydrophobicContact CD1-CB 3.97Å; L29-K38 HydrophobicContact CD1-CG 4.49Å; L29-K38 WeakPolarHBondContact O-CD 3.36Å; L29-K38 WeakPolarHBondContact O-CE 3.48Å; L29-K38 PolarHBondContact O-NZ 2.83Å
30T83.1Confident85.4Confident117 Ų11785.1 Ų85.172%0.71846%0.464SS*.  trans-137.4-10.5-169.844.40000113.9N28 E34N28-T30 PolarHBondContact O-N 3.01Å; N28-T30 PolarHBondContact O-OG1 2.69Å; T30-E34 PolarHBondContact N-OE2 2.89Å
31S86.7Confident85.4Confident43 Ų4384 Ų8430%0.30145%0.45SS..SBendtrans-73.6144.3173.7177.70000111.5E33 E34S31-E33 PolarHBondContact O-N 2.73Å; S31-E33 PolarHBondContact OG-N 2.82Å; S31-E34 WeakPolarHBondContact CB-OE2 3.4Å; S31-E34 PolarHBondContact N-OE2 3.04Å; S31-E34 PolarHBondContact O-N 2.94Å; S31-E34 VanDerWaalsContact O-N 3.13Å
32P75.6Confident85.3Confident116 Ų11680.1 Ų80.175%0.75343%0.434SS*.G310 helixtrans-55.5-33.8171-25.235000113.5E34 Q35P32-E34 VanDerWaalsContact C-N 3.31Å; P32-E34 PolarHBondContact O-N 3.39Å; P32-Q35 VanDerWaalsContact O-CB 3.31Å; P32-Q35 WeakPolarHBondContact O-CB 3.45Å; P32-Q35 PolarHBondContact O-N 2.73Å
33E78.6Confident85.2Confident181 Ų18184.4 Ų84.485%0.84645%0.451SS*.G310 helixtrans-71.3-27.1-179.2-61.5176.4172.700112.1S31 Q35S31-E33 PolarHBondContact O-N 2.73Å; S31-E33 PolarHBondContact OG-N 2.82Å; E33-Q35 VanDerWaalsContact C-N 3.28Å; E33-Q35 PolarHBondContact O-N 2.78Å
34E83.2Confident85.2Confident71 Ų7181.2 Ų81.233%0.33245%0.446SS..G310 helixtrans-80-6.4178.7-66.6171.7145.100113.2L29 T30 S31 P32 A36 L37 K38L29-E34 WeakPolarHBondContact CA-OE2 3.45Å; L29-E34 HydrophobicContact CB-CB 4.3Å; L29-E34 HydrophobicContact CD2-CB 4.19Å; L29-E34 HydrophobicContact CD2-CG 4.14Å; T30-E34 PolarHBondContact N-OE2 2.89Å; S31-E34 WeakPolarHBondContact CB-OE2 3.4Å; S31-E34 PolarHBondContact N-OE2 3.04Å; S31-E34 PolarHBondContact O-N 2.94Å; S31-E34 VanDerWaalsContact O-N 3.13Å; P32-E34 VanDerWaalsContact C-N 3.31Å; P32-E34 PolarHBondContact O-N 3.39Å; E34-A36 PolarHBondContact O-N 3.42Å; E34-A36 VanDerWaalsContact O-N 3.14Å; E34-L37 WeakPolarHBondContact O-CA 3.31Å; E34-L37 WeakPolarHBondContact O-CB 3.41Å; E34-L37 PolarHBondContact O-N 2.86Å; E34-K38 PolarHBondContact O-N 3.26Å
35Q82.1Confident85.1Confident111 Ų11175.5 Ų75.552%0.51942%0.42SS..Hα-helixtrans-60.4-31.1-170.6-172.966.6-8.700113P32 E33 T39P32-Q35 VanDerWaalsContact O-CB 3.31Å; P32-Q35 WeakPolarHBondContact O-CB 3.45Å; P32-Q35 PolarHBondContact O-N 2.73Å; E33-Q35 VanDerWaalsContact C-N 3.28Å; E33-Q35 PolarHBondContact O-N 2.78Å; Q35-T39 WeakPolarHBondContact O-CB 3.25Å; Q35-T39 PolarHBondContact O-N 2.88Å; Q35-T39 PolarHBondContact O-OG1 2.9Å
36A81.6Confident85Confident73 Ų7372.7 Ų72.760%0.60342%0.422SS*.Hα-helixtrans-68.3-40.3173.300000112.7E34 T39 S40E34-A36 PolarHBondContact O-N 3.42Å; E34-A36 VanDerWaalsContact O-N 3.14Å; A36-T39 PolarHBondContact O-N 2.81Å; A36-S40 PolarHBondContact O-N 3.28Å; A36-S40 VanDerWaalsContact O-N 3.09Å; A36-S40 PolarHBondContact O-OG 3.44Å
37L85.9Confident85Confident83 Ų8375.2 Ų75.244%0.43544%0.436SS..Hα-helixtrans-67.4-46.2174.6-179.762.8000110.3Y25 L29 E34 T39 S40 V41Y25-L37 HydrophobicContact CE1-CD2 4.4Å; L29-L37 HydrophobicContact CD1-CB 4.39Å; L29-L37 HydrophobicContact CD1-CD2 4.09Å; L29-L37 HydrophobicContact CD1-CG 3.93Å; L29-L37 HydrophobicContact CD2-CD2 4.12Å; E34-L37 WeakPolarHBondContact O-CA 3.31Å; E34-L37 WeakPolarHBondContact O-CB 3.41Å; E34-L37 PolarHBondContact O-N 2.86Å; L37-T39 VanDerWaalsContact C-N 3.25Å; L37-T39 PolarHBondContact O-N 2.82Å; L37-S40 PolarHBondContact O-N 2.86Å; L37-V41 HydrophobicContact CD1-CG2 4.17Å; L37-V41 HydrophobicContact CG-CG2 4.34Å; L37-V41 WeakPolarHBondContact O-CG2 3.5Å; L37-V41 PolarHBondContact O-N 3.09Å
38K87.1Confident84.9Confident59 Ų5973.9 Ų73.926%0.25742%0.42SS..Hα-helixtrans-57.2-36.8175.8-168.9172.3-175.1156.90112.8Q26 L29 E34 G42Q26-K38 HydrophobicContact CG-CG 3.76Å; Q26-K38 PolarHBondContact NE2-O 2.89Å; Q26-K38 WeakPolarHBondContact O-CE 3.38Å; L29-K38 HydrophobicContact CB-CB 4.16Å; L29-K38 HydrophobicContact CB-CD 4.15Å; L29-K38 HydrophobicContact CB-CG 4.24Å; L29-K38 HydrophobicContact CD1-CB 3.97Å; L29-K38 HydrophobicContact CD1-CG 4.49Å; L29-K38 WeakPolarHBondContact O-CD 3.36Å; L29-K38 WeakPolarHBondContact O-CE 3.48Å; L29-K38 PolarHBondContact O-NZ 2.83Å; E34-K38 PolarHBondContact O-N 3.26Å; K38-G42 PolarHBondContact O-N 3.05Å
39T85.6Confident84.5Confident69 Ų6970.3 Ų70.342%0.42341%0.41SS..Hα-helixtrans-68.7-40.9173.5-58.50000111.9Q35 A36 L37 G42 K43Q35-T39 WeakPolarHBondContact O-CB 3.25Å; Q35-T39 PolarHBondContact O-N 2.88Å; Q35-T39 PolarHBondContact O-OG1 2.9Å; A36-T39 PolarHBondContact O-N 2.81Å; L37-T39 VanDerWaalsContact C-N 3.25Å; L37-T39 PolarHBondContact O-N 2.82Å; T39-G42 PolarHBondContact O-N 3.02Å; T39-K43 PolarHBondContact O-N 3.13Å
40S86.4Confident84.6Confident63 Ų6371.9 Ų71.944%0.44142%0.422SS..Hα-helixtrans-71.3-44.7-178.1-58.10000112.5A36 L37 G42 K43 V44A36-S40 PolarHBondContact O-N 3.28Å; A36-S40 VanDerWaalsContact O-N 3.09Å; A36-S40 PolarHBondContact O-OG 3.44Å; L37-S40 PolarHBondContact O-N 2.86Å; S40-G42 VanDerWaalsContact C-N 3.26Å; S40-G42 PolarHBondContact O-N 3.29Å; S40-K43 WeakPolarHBondContact O-CB 3.34Å; S40-K43 PolarHBondContact O-N 2.84Å; S40-K43 VanDerWaalsContact O-N 3.15Å; S40-V44 PolarHBondContact O-N 3.25Å; S40-V44 VanDerWaalsContact O-N 3.15Å
41V87.1Confident84.4Confident14 Ų1475 Ų759%0.08543%0.428CS..Hα-helixtrans-58.9-39.6173.6175.40000111L22 Y25 Q26 L37 K43 V44 S45L22-V41 HydrophobicContact CB-CG1 4.2Å; L22-V41 HydrophobicContact CD2-CG1 4.07Å; L22-V41 VanDerWaalsContact O-CG1 3.32Å; L22-V41 WeakPolarHBondContact O-CG1 3.45Å; Y25-V41 HydrophobicContact CD1-CG1 4.44Å; Y25-V41 HydrophobicContact CD1-CG2 4.17Å; Y25-V41 HydrophobicContact CE1-CG2 4.32Å; Q26-V41 HydrophobicContact CB-CG1 3.87Å; Q26-V41 HydrophobicContact CG-CB 4.48Å; Q26-V41 HydrophobicContact CG-CG1 4.33Å; L37-V41 HydrophobicContact CD1-CG2 4.17Å; L37-V41 HydrophobicContact CG-CG2 4.34Å; L37-V41 WeakPolarHBondContact O-CG2 3.5Å; L37-V41 PolarHBondContact O-N 3.09Å; V41-K43 PolarHBondContact O-N 2.88Å; V41-V44 PolarHBondContact O-N 3.1Å; V41-S45 PolarHBondContact O-N 3.18Å
42G86.3Confident84Confident17 Ų1779.2 Ų79.218%0.17545%0.447CS..Hα-helixtrans-60.1-43.4174.600000113.6K38 T39 S40 S45 A46K38-G42 PolarHBondContact O-N 3.05Å; T39-G42 PolarHBondContact O-N 3.02Å; S40-G42 VanDerWaalsContact C-N 3.26Å; S40-G42 PolarHBondContact O-N 3.29Å; G42-S45 PolarHBondContact O-N 3.16Å; G42-A46 WeakPolarHBondContact O-CB 3.12Å; G42-A46 PolarHBondContact O-N 3.42Å
43K87.6Confident84.4Confident135 Ų13576.4 Ų76.459%0.58742%0.423SS*.Hα-helixtrans-61.3-44.3175.4-70.7173.5179.1178.20111.7T39 S40 V41 A46 I47T39-K43 PolarHBondContact O-N 3.13Å; S40-K43 WeakPolarHBondContact O-CB 3.34Å; S40-K43 PolarHBondContact O-N 2.84Å; S40-K43 VanDerWaalsContact O-N 3.15Å; V41-K43 PolarHBondContact O-N 2.88Å; K43-A46 PolarHBondContact O-N 3.28Å; K43-I47 VanDerWaalsContact O-CG1 3.32Å; K43-I47 WeakPolarHBondContact O-CG1 3.29Å; K43-I47 PolarHBondContact O-N 3.1Å
44V86.8Confident84.5Confident70 Ų7069.8 Ų69.842%0.42439%0.392SS..Hα-helixtrans-64.2-45178.1179.30000111.3L22 S40 V41 A46 I47 L48L22-V44 HydrophobicContact CD1-CG1 3.96Å; S40-V44 PolarHBondContact O-N 3.25Å; S40-V44 VanDerWaalsContact O-N 3.15Å; V41-V44 PolarHBondContact O-N 3.1Å; V44-A46 VanDerWaalsContact C-N 3.29Å; V44-A46 PolarHBondContact O-N 2.96Å; V44-I47 PolarHBondContact O-N 3.22Å; V44-L48 HydrophobicContact CG1-CD1 3.97Å; V44-L48 HydrophobicContact CG1-CG 4.46Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.09Å
45S87.4Confident84.2Confident4 Ų468.4 Ų68.43%0.02839%0.392CS..Hα-helixtrans-62.1-34.9176-171.60000113R23 V41 G42 G49R23-S45 VanDerWaalsContact CG-OG 3.26Å; R23-S45 WeakPolarHBondContact CG-OG 3.3Å; R23-S45 PolarHBondContact NE-OG 3.21Å; R23-S45 VanDerWaalsContact NE-OG 3.09Å; V41-S45 PolarHBondContact O-N 3.18Å; G42-S45 PolarHBondContact O-N 3.16Å; S45-G49 PolarHBondContact O-N 3.45Å
46A85.3Confident84.1Confident64 Ų6467.8 Ų67.853%0.52939%0.392SS..Hα-helixtrans-71.7-34.8176.100000113.1G42 K43 V44 S50G42-A46 WeakPolarHBondContact O-CB 3.12Å; G42-A46 PolarHBondContact O-N 3.42Å; K43-A46 PolarHBondContact O-N 3.28Å; V44-A46 VanDerWaalsContact C-N 3.29Å; V44-A46 PolarHBondContact O-N 2.96Å; A46-S50 WeakPolarHBondContact O-CB 3.06Å; A46-S50 PolarHBondContact O-N 3.31Å
47I87.8Confident84.1Confident105 Ų10564.9 Ų64.954%0.53837%0.367SS..Hα-helixtrans-69.7-51.4176.7-69.4163.4000110.6K43 V44 G49 S50 F53K43-I47 VanDerWaalsContact O-CG1 3.32Å; K43-I47 WeakPolarHBondContact O-CG1 3.29Å; K43-I47 PolarHBondContact O-N 3.1Å; V44-I47 PolarHBondContact O-N 3.22Å; I47-G49 VanDerWaalsContact C-N 3.27Å; I47-G49 PolarHBondContact O-N 3.43Å; I47-S50 WeakPolarHBondContact O-CB 3.05Å; I47-S50 PolarHBondContact O-N 2.93Å; I47-S50 PolarHBondContact O-OG 3.47Å; I47-F53 VanDerWaalsContact O-CB 3.27Å; I47-F53 WeakPolarHBondContact O-CB 3.44Å
48L84.6Confident83.6Confident37 Ų3764 Ų6419%0.19436%0.362CS..Hα-helixtrans-65.2-31.1179.4-65174.1000112.5T15 V19 L22 V44 S50 F53 Q54T15-L48 HydrophobicContact CG2-CB 4.25Å; V19-L48 HydrophobicContact CG2-CB 3.46Å; V19-L48 VanDerWaalsContact CG2-CB 3.46Å; V19-L48 HydrophobicContact CG2-CD1 4.38Å; L22-L48 HydrophobicContact CD1-CD1 3.92Å; V44-L48 HydrophobicContact CG1-CD1 3.97Å; V44-L48 HydrophobicContact CG1-CG 4.46Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.09Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-F53 HydrophobicContact CD2-CD1 4.14Å; L48-F53 HydrophobicContact CD2-CD2 4.39Å; L48-F53 HydrophobicContact CD2-CE1 3.63Å; L48-F53 HydrophobicContact CD2-CE2 3.91Å; L48-F53 HydrophobicContact CD2-CZ 3.51Å; L48-Q54 PolarHBondContact O-NE2 3.34Å
49G79.9Confident83.2Confident39 Ų3966.4 Ų66.440%0.40238%0.377SS..THydrogen-bonded Turntrans-869.7172.200000115.2S45 I47S45-G49 PolarHBondContact O-N 3.45Å; I47-G49 VanDerWaalsContact C-N 3.27Å; I47-G49 PolarHBondContact O-N 3.43Å
50S88.4Confident82.7Confident38 Ų3866.1 Ų66.127%0.26637%0.371SS..SBendtrans-82149.8-179.172.80000112.4A46 I47 L48 L52 F53 Q54A46-S50 WeakPolarHBondContact O-CB 3.06Å; A46-S50 PolarHBondContact O-N 3.31Å; I47-S50 WeakPolarHBondContact O-CB 3.05Å; I47-S50 PolarHBondContact O-N 2.93Å; I47-S50 PolarHBondContact O-OG 3.47Å; L48-S50 VanDerWaalsContact C-N 3.33Å; S50-L52 PolarHBondContact O-N 2.97Å; S50-F53 PolarHBondContact O-N 3.49Å; S50-F53 VanDerWaalsContact O-N 3.11Å; S50-F53 WeakPolarHBondContact OG-CB 3.47Å; S50-F53 PolarHBondContact OG-N 2.76Å; S50-Q54 WeakPolarHBondContact O-CG 3.39Å; S50-Q54 PolarHBondContact O-N 2.83Å
51Q79.2Confident82.1Confident183 Ų18367.9 Ų67.986%0.85537%0.372SS*.Hα-helixtrans-57.9-32.6175-69.6178.2-15.700112.6A55Q51-A55 VanDerWaalsContact O-CB 3.3Å; Q51-A55 WeakPolarHBondContact O-CB 3.35Å; Q51-A55 PolarHBondContact O-N 3.42Å
52L78.2Confident81.2Confident131 Ų13171.1 Ų71.169%0.68639%0.394SS*.Hα-helixtrans-67.9-42.5176.1-179.561.6000111.8S50 A55 L56S50-L52 PolarHBondContact O-N 2.97Å; L52-A55 PolarHBondContact O-N 3.15Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.82Å; L52-L56 VanDerWaalsContact O-N 3.14Å
53F84.3Confident80.4Confident58 Ų5878 Ų7825%0.25442%0.416SS..Hα-helixtrans-69.6-38.9178.2-163.2-92.1000111.8T15 I47 L48 S50 L56 L57T15-F53 HydrophobicContact CG2-CD1 4.04Å; T15-F53 HydrophobicContact CG2-CE1 3.7Å; I47-F53 VanDerWaalsContact O-CB 3.27Å; I47-F53 WeakPolarHBondContact O-CB 3.44Å; L48-F53 HydrophobicContact CD2-CD1 4.14Å; L48-F53 HydrophobicContact CD2-CD2 4.39Å; L48-F53 HydrophobicContact CD2-CE1 3.63Å; L48-F53 HydrophobicContact CD2-CE2 3.91Å; L48-F53 HydrophobicContact CD2-CZ 3.51Å; S50-F53 PolarHBondContact O-N 3.49Å; S50-F53 VanDerWaalsContact O-N 3.11Å; S50-F53 WeakPolarHBondContact OG-CB 3.47Å; S50-F53 PolarHBondContact OG-N 2.76Å; F53-L56 PolarHBondContact O-N 2.76Å; F53-L57 HydrophobicContact CD1-CD1 3.93Å; F53-L57 HydrophobicContact CD1-CG 4.34Å; F53-L57 HydrophobicContact CE1-CD1 3.89Å; F53-L57 HydrophobicContact CE1-CD2 4.42Å; F53-L57 HydrophobicContact CE1-CG 4.18Å; F53-L57 PolarHBondContact O-N 2.77Å; F53-L57 VanDerWaalsContact O-N 3.14Å
54Q80.5Confident79.5Confident41 Ų4173.6 Ų73.619%0.19240%0.398CS..Hα-helixtrans-64.3-42.8174-65.9-60.6-46.100111.9L48 S50 L56 L57 D58L48-Q54 PolarHBondContact O-NE2 3.34Å; S50-Q54 WeakPolarHBondContact O-CG 3.39Å; S50-Q54 PolarHBondContact O-N 2.83Å; Q54-L56 VanDerWaalsContact C-N 3.25Å; Q54-L56 PolarHBondContact O-N 3.37Å; Q54-L57 WeakPolarHBondContact O-CB 3.34Å; Q54-L57 PolarHBondContact O-N 2.71Å; Q54-L57 VanDerWaalsContact O-N 3.09Å; Q54-D58 PolarHBondContact O-N 3.34Å
55A76.3Confident78.5Confident42 Ų4273.8 Ų73.835%0.34740%0.398SS..Hα-helixtrans-61.9-30.7174.700000113.3Q51 L52 I59Q51-A55 VanDerWaalsContact O-CB 3.3Å; Q51-A55 WeakPolarHBondContact O-CB 3.35Å; Q51-A55 PolarHBondContact O-N 3.42Å; L52-A55 PolarHBondContact O-N 3.15Å; A55-I59 WeakPolarHBondContact O-CB 3.41Å; A55-I59 WeakPolarHBondContact O-CD1 3.27Å; A55-I59 WeakPolarHBondContact O-CG1 3.34Å; A55-I59 PolarHBondContact O-N 3.12Å
56L79.5Confident77.5Confident99 Ų9977.2 Ų77.252%0.51842%0.42SS..Hα-helixtrans-70.5-37.9173.4-71.6168.2000112.3L52 F53 Q54 I59 Q60L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.82Å; L52-L56 VanDerWaalsContact O-N 3.14Å; F53-L56 PolarHBondContact O-N 2.76Å; Q54-L56 VanDerWaalsContact C-N 3.25Å; Q54-L56 PolarHBondContact O-N 3.37Å; L56-I59 PolarHBondContact O-N 3Å; L56-Q60 PolarHBondContact O-N 3.4Å
57L81.6Confident76.4Confident12 Ų1279 Ų796%0.06342%0.42CS..Hα-helixtrans-66.1-42.8172.3-66.7168000111.4K12 T15 F53 Q54 I59 Q60 E61K12-L57 HydrophobicContact CG-CD1 4.45Å; T15-L57 HydrophobicContact CG2-CD1 3.98Å; F53-L57 HydrophobicContact CD1-CD1 3.93Å; F53-L57 HydrophobicContact CD1-CG 4.34Å; F53-L57 HydrophobicContact CE1-CD1 3.89Å; F53-L57 HydrophobicContact CE1-CD2 4.42Å; F53-L57 HydrophobicContact CE1-CG 4.18Å; F53-L57 PolarHBondContact O-N 2.77Å; F53-L57 VanDerWaalsContact O-N 3.14Å; Q54-L57 WeakPolarHBondContact O-CB 3.34Å; Q54-L57 PolarHBondContact O-N 2.71Å; Q54-L57 VanDerWaalsContact O-N 3.09Å; L57-I59 VanDerWaalsContact C-N 3.28Å; L57-I59 PolarHBondContact O-N 2.97Å; L57-Q60 WeakPolarHBondContact O-CB 3.46Å; L57-Q60 PolarHBondContact O-N 3.03Å; L57-Q60 VanDerWaalsContact O-N 3.13Å; L57-E61 WeakPolarHBondContact O-CB 3.26Å; L57-E61 PolarHBondContact O-N 2.89Å
58D75Confident74.8Confident64 Ų6479.3 Ų79.334%0.34242%0.419SS..Hα-helixtrans-59.7-39.3175.9-63.4-24.3000111.5K12 Q54 C62K12-D58 IonicContact NZ-OD1 2.78Å; K12-D58 PolarHBondContact NZ-OD1 2.7Å; Q54-D58 PolarHBondContact O-N 3.34Å; D58-C62 WeakPolarHBondContact O-CB 3.3Å; D58-C62 PolarHBondContact O-N 2.89Å; D58-C62 PolarHBondContact O-SG 3.45Å
59I79.6Confident73.2Confident110 Ų11081.6 Ų81.656%0.56443%0.431SS*.Hα-helixtrans-65.9-41.8174.7-72.9163.9000111.3A55 L56 L57 C62 Y63A55-I59 WeakPolarHBondContact O-CB 3.41Å; A55-I59 WeakPolarHBondContact O-CD1 3.27Å; A55-I59 WeakPolarHBondContact O-CG1 3.34Å; A55-I59 PolarHBondContact O-N 3.12Å; L56-I59 PolarHBondContact O-N 3Å; L57-I59 VanDerWaalsContact C-N 3.28Å; L57-I59 PolarHBondContact O-N 2.97Å; I59-C62 PolarHBondContact O-N 3.23Å; I59-Y63 PolarHBondContact O-N 3.45Å
60Q75.1Confident71.7Confident63 Ų6384.2 Ų84.229%0.29444%0.435SS..Hα-helixtrans-63.1-47176.2-172.4-167.6-4800111.2L56 L57 C62 Y63 E64L56-Q60 PolarHBondContact O-N 3.4Å; L57-Q60 WeakPolarHBondContact O-CB 3.46Å; L57-Q60 PolarHBondContact O-N 3.03Å; L57-Q60 VanDerWaalsContact O-N 3.13Å; Q60-C62 PolarHBondContact O-N 2.89Å; Q60-Y63 WeakPolarHBondContact O-CA 3.44Å; Q60-Y63 WeakPolarHBondContact O-CB 3.19Å; Q60-Y63 PolarHBondContact O-N 3.03Å; Q60-E64 PolarHBondContact NE2-OE1 3.43Å; Q60-E64 PolarHBondContact O-N 3.47Å
61E72.9Confident69.7Low100 Ų10084.9 Ų84.947%0.46744%0.443SS..Hα-helixtrans-60-43.2178.2-172.1168.1-157.300111.4L57 Y63 E64 V65L57-E61 WeakPolarHBondContact O-CB 3.26Å; L57-E61 PolarHBondContact O-N 2.89Å; E61-Y63 VanDerWaalsContact C-N 3.29Å; E61-Y63 PolarHBondContact O-N 3.31Å; E61-E64 PolarHBondContact O-N 3.33Å; E61-V65 WeakPolarHBondContact O-CG2 3.39Å; E61-V65 PolarHBondContact O-N 3.38Å
62C68.8Low68.1Low81 Ų8181.7 Ų81.755%0.54743%0.428SS..Hα-helixtrans-61.6-35.1172.2-68.90000113D58 I59 Q60 T66D58-C62 WeakPolarHBondContact O-CB 3.3Å; D58-C62 PolarHBondContact O-N 2.89Å; D58-C62 PolarHBondContact O-SG 3.45Å; I59-C62 PolarHBondContact O-N 3.23Å; Q60-C62 PolarHBondContact O-N 2.89Å; C62-T66 WeakPolarHBondContact O-CB 3.13Å; C62-T66 PolarHBondContact O-N 2.99Å; C62-T66 PolarHBondContact O-OG1 2.94Å
63Y70.4Confident66.4Low162 Ų16281.9 Ų81.964%0.63543%0.426SS*.Hα-helixtrans-72.1-41.4178.6-147.8-91.8000111.5I59 Q60 E61 T66 L67I59-Y63 PolarHBondContact O-N 3.45Å; Q60-Y63 WeakPolarHBondContact O-CA 3.44Å; Q60-Y63 WeakPolarHBondContact O-CB 3.19Å; Q60-Y63 PolarHBondContact O-N 3.03Å; E61-Y63 VanDerWaalsContact C-N 3.29Å; E61-Y63 PolarHBondContact O-N 3.31Å; Y63-T66 PolarHBondContact O-N 2.95Å; Y63-L67 HydrophobicContact CD1-CD1 3.72Å; Y63-L67 HydrophobicContact CD1-CG 4.18Å; Y63-L67 HydrophobicContact CE1-CD1 3.94Å; Y63-L67 HydrophobicContact CE1-CG 4.33Å; Y63-L67 WeakPolarHBondContact O-CG 3.34Å; Y63-L67 PolarHBondContact O-N 3.08Å
64E67.6Low64.4Low43 Ų4384 Ų8420%0.20144%0.444CS..Hα-helixtrans-62-48.3174.7-73.1177.7-148.600111.5Q60 E61 T66 L67 Q68Q60-E64 PolarHBondContact NE2-OE1 3.43Å; Q60-E64 PolarHBondContact O-N 3.47Å; E61-E64 PolarHBondContact O-N 3.33Å; E64-T66 VanDerWaalsContact C-N 3.32Å; E64-T66 PolarHBondContact O-N 3.45Å; E64-L67 PolarHBondContact O-N 3.24Å; E64-Q68 WeakPolarHBondContact O-CG 3.41Å; E64-Q68 PolarHBondContact O-N 3.33Å
65V65.9Low62.4Low73 Ų7387.1 Ų87.144%0.44247%0.465SS..Hα-helixtrans-61-40.1175.4172.40000111.4E61 L67 Q68 L69E61-V65 WeakPolarHBondContact O-CG2 3.39Å; E61-V65 PolarHBondContact O-N 3.38Å; V65-L67 PolarHBondContact O-N 3.27Å; V65-Q68 PolarHBondContact O-N 2.95Å; V65-L69 HydrophobicContact CG1-CD1 3.89Å; V65-L69 HydrophobicContact CG1-CG 4.35Å; V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 VanDerWaalsContact O-CG 3.31Å; V65-L69 WeakPolarHBondContact O-CG 3.38Å; V65-L69 PolarHBondContact O-N 3.29Å
66T67.1Low60.3Low77 Ų7790.4 Ų90.447%0.47248%0.481SS..Hα-helixtrans-65.5-38.3176.7-58.10000111.8C62 Y63 E64 N70C62-T66 WeakPolarHBondContact O-CB 3.13Å; C62-T66 PolarHBondContact O-N 2.99Å; C62-T66 PolarHBondContact O-OG1 2.94Å; Y63-T66 PolarHBondContact O-N 2.95Å; E64-T66 VanDerWaalsContact C-N 3.32Å; E64-T66 PolarHBondContact O-N 3.45Å; T66-N70 PolarHBondContact O-N 3.08Å; T66-N70 PolarHBondContact O-ND2 2.95Å
67L62.1Low58.2Low102 Ų10294.6 Ų94.653%0.53450%0.495SS..Hα-helixtrans-69.8-40.3175.9-73171000112.2Y63 E64 V65 N70 A71Y63-L67 HydrophobicContact CD1-CD1 3.72Å; Y63-L67 HydrophobicContact CD1-CG 4.18Å; Y63-L67 HydrophobicContact CE1-CD1 3.94Å; Y63-L67 HydrophobicContact CE1-CG 4.33Å; Y63-L67 WeakPolarHBondContact O-CG 3.34Å; Y63-L67 PolarHBondContact O-N 3.08Å; E64-L67 PolarHBondContact O-N 3.24Å; V65-L67 PolarHBondContact O-N 3.27Å; L67-N70 PolarHBondContact O-N 3.12Å; L67-A71 PolarHBondContact O-N 2.91Å; L67-A71 VanDerWaalsContact O-N 3.08Å
68Q53.7Low55.9Low111 Ų111102.8 Ų102.852%0.51953%0.533SS..Hα-helixtrans-64.6-46.6176.7-72171.49.100111.6E64 V65 N70 A71 E72E64-Q68 WeakPolarHBondContact O-CG 3.41Å; E64-Q68 PolarHBondContact O-N 3.33Å; V65-Q68 PolarHBondContact O-N 2.95Å; Q68-N70 VanDerWaalsContact C-N 3.28Å; Q68-N70 PolarHBondContact O-N 3.37Å; Q68-A71 WeakPolarHBondContact O-CA 3.4Å; Q68-A71 WeakPolarHBondContact O-CB 3.25Å; Q68-A71 PolarHBondContact O-N 2.9Å; Q68-E72 WeakPolarHBondContact O-CG 3.41Å; Q68-E72 PolarHBondContact O-N 3.12Å
69L51.7Low53.9Low85 Ų85106.5 Ų106.545%0.44555%0.553SS.*Hα-helixtrans-60.3-35.2175.9-73.4170.8000112.9V65 Q73V65-L69 HydrophobicContact CG1-CD1 3.89Å; V65-L69 HydrophobicContact CG1-CG 4.35Å; V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 VanDerWaalsContact O-CG 3.31Å; V65-L69 WeakPolarHBondContact O-CG 3.38Å; V65-L69 PolarHBondContact O-N 3.29Å; L69-Q73 WeakPolarHBondContact O-CB 3.45Å; L69-Q73 VanDerWaalsContact O-CG 3.24Å; L69-Q73 WeakPolarHBondContact O-CG 3.47Å; L69-Q73 PolarHBondContact O-N 3.14Å
70N48.1Very low51.4Low93 Ų93106.7 Ų106.750%0.49756%0.564SS.*Hα-helixtrans-69.3-34.4173.5-79.7-65.1000112.4T66 L67 Q68 T74T66-N70 PolarHBondContact O-N 3.08Å; T66-N70 PolarHBondContact O-ND2 2.95Å; L67-N70 PolarHBondContact O-N 3.12Å; Q68-N70 VanDerWaalsContact C-N 3.28Å; Q68-N70 PolarHBondContact O-N 3.37Å; N70-T74 PolarHBondContact O-N 2.98Å; N70-T74 PolarHBondContact O-OG1 3.06Å
71A46.6Very low49.4Very low52 Ų52107.4 Ų107.443%0.4359%0.588SS.*Hα-helixtrans-72.2-41.2175.500000112.2L67 Q68 T74 V75L67-A71 PolarHBondContact O-N 2.91Å; L67-A71 VanDerWaalsContact O-N 3.08Å; Q68-A71 WeakPolarHBondContact O-CA 3.4Å; Q68-A71 WeakPolarHBondContact O-CB 3.25Å; Q68-A71 PolarHBondContact O-N 2.9Å; A71-T74 WeakPolarHBondContact CA-OG1 3.26Å; A71-T74 PolarHBondContact O-N 2.66Å; A71-T74 PolarHBondContact O-OG1 2.78Å; A71-V75 PolarHBondContact O-N 2.92Å
72E44.4Very low47.3Very low116 Ų116112 Ų11254%0.54261%0.609SS.*Hα-helixtrans-68.2-39177.4-69.7178.6163.700111.7Q68 T74 V75 V76Q68-E72 WeakPolarHBondContact O-CG 3.41Å; Q68-E72 PolarHBondContact O-N 3.12Å; E72-T74 PolarHBondContact O-N 3.18Å; E72-V75 PolarHBondContact O-N 3.32Å; E72-V76 WeakPolarHBondContact O-CG2 3.48Å; E72-V76 PolarHBondContact O-N 3.48Å
73Q44.1Very low45.4Very low135 Ų135115.2 Ų115.263%0.63162%0.621SS**Hα-helixtrans-63.7-19.6172.6-75.8179.930.400113.9L69L69-Q73 WeakPolarHBondContact O-CB 3.45Å; L69-Q73 VanDerWaalsContact O-CG 3.24Å; L69-Q73 WeakPolarHBondContact O-CG 3.47Å; L69-Q73 PolarHBondContact O-N 3.14Å
74T41.5Very low43.2Very low103 Ų103114.3 Ų114.363%0.63263%0.632SS**Hα-helixtrans-86.4-1417046.60000114.6N70 A71 E72N70-T74 PolarHBondContact O-N 2.98Å; N70-T74 PolarHBondContact O-OG1 3.06Å; A71-T74 WeakPolarHBondContact CA-OG1 3.26Å; A71-T74 PolarHBondContact O-N 2.66Å; A71-T74 PolarHBondContact O-OG1 2.78Å; E72-T74 PolarHBondContact O-N 3.18Å
75V37.5Very low41.2Very low107 Ų107122.7 Ų122.765%0.64866%0.662SS**Hα-helixtrans-100.9-41.7179.4174.50000111.9A71 E72 K77 E78A71-V75 PolarHBondContact O-N 2.92Å; E72-V75 PolarHBondContact O-N 3.32Å; V75-K77 PolarHBondContact O-N 3.15Å; V75-E78 PolarHBondContact O-N 2.9Å
76V32.8Very low39.3Very low111 Ų111127 Ų12767%0.67368%0.677SS**THydrogen-bonded Turntrans-68.9-6.4-177.2177.50000112.8E72E72-V76 WeakPolarHBondContact O-CG2 3.48Å; E72-V76 PolarHBondContact O-N 3.48Å
77K35.7Very low37.3Very low187 Ų187129.9 Ų129.981%0.81369%0.69SS**THydrogen-bonded Turntrans-91.9-0.2-177.7-126.7177.9-175.1178.70115.7V75V75-K77 PolarHBondContact O-N 3.15Å
78E34.3Very low35.5Very low183 Ų183132.7 Ų132.786%0.85570%0.7SS**SBendtrans-105.7-10.4177.5-68.5-163.7135.500114.8V75V75-E78 PolarHBondContact O-N 2.9Å
79D32.5Very low34.2Very low143 Ų143135.7 Ų135.777%0.76571%0.714SS**SBendtrans-139.892.6-178.7-167.914.4000114
80S27.1Very low32.9Very low114 Ų114138.9 Ų138.980%0.79773%0.732SS**  trans169.2120.1138.140.20000110.6
81G31.8Very low31.9Very low77 Ų77143.5 Ų143.579%0.79475%0.75SS**  trans-151.493.217600000111.6
82Q29Very low30.9Very low197 Ų197144.3 Ų144.392%0.92176%0.764SS**  trans-160.7146.3167.6-113.6164.414.300111
83D29Very low30Very low148 Ų148145.1 Ų145.179%0.79178%0.776SS**  trans-79.2163-174.9-48.2-95.9000114
84V25.2Very low29.1Very low143 Ų143143.1 Ų143.187%0.86778%0.777SS**  -179.8166.2127147.40000110.4
85W25.8Very low28.5Very low219 Ų219148.4 Ų148.483%0.8379%0.785SS**  trans-104177.6-164-75.648.1000115.2
86E25.5Very low27.9Very low164 Ų164149.3 Ų149.377%0.76679%0.791SS**  trans90.1111.4149.2-83.5165-15900121.9
87D24.3Very low27.4Very low137 Ų137154.8 Ų154.873%0.73380%0.8SS**  69.4144.1124.1-79.822.4000126.1
88Q25.7Very low26.9Very low161 Ų161152.8 Ų152.875%0.75280%0.803SS**  trans70.4150.9159.5-69.7170.96.400117.9
89E25.2Very low26.6Very low175 Ų175149.8 Ų149.882%0.81880%0.797SS**  cis-148.3-173.7-0.8-135.4166.1-158.600112.5
90D25.5Very low26.2Very low152 Ų152148.5 Ų148.581%0.81380%0.799SS**  trans-97164.5-175.1-167.27.9000113.4
91E26.3Very low26Very low190 Ų190155.2 Ų155.289%0.88881%0.807SS**  trans146.8166.2161.9-86.5-93.2121.700114.2
92G25.8Very low25.8Very low69 Ų69156.4 Ų156.471%0.71180%0.803SS**  trans132.81.2149.100000120.9
93V25.5Very low25.8Very low133 Ų133152.5 Ų152.581%0.80680%0.797SS**  trans-36.6143.3-179.4167.90000119.2
94S25.9Very low26Very low92 Ų92150.4 Ų150.464%0.64379%0.792SS**  trans80.3162.2153.3-75.10000121.6
95R27Very low26.2Very low215 Ų215151.2 Ų151.281%0.81179%0.791SS**  cis-165.5143.3-19.6-107.3159.378.6-1795.6113.2
96V25.3Very low26.2Very low126 Ų126150.3 Ų150.376%0.76479%0.792SS**  trans40121.1134-179.80000121.1
97R23.9Very low26.2Very low226 Ų226147.8 Ų147.885%0.85379%0.788SS**  -164.1140.2114.6-129.8170.4-173.8151.52.3115.3
98V24.8Very low26.4Very low145 Ų145149.5 Ų149.588%0.87979%0.792SS**  trans-126.8141.6161.5175.70000107.3
99T26.5Very low26.4Very low119 Ų119152.8 Ų152.873%0.7380%0.797SS**  trans-135.9122.1179.251.60000112.2
100S25.9Very low26.4Very low116 Ų116150.1 Ų150.181%0.81179%0.793SS**  trans-89.7143.1176.153.70000113
101R23.1Very low26.4Very low255 Ų255148.7 Ų148.796%0.96279%0.794SS**  trans-149165159.1-101.8-175.9-177.8-156.1-0.8110.9
102S26.2Very low26.6Very low103 Ų103143 Ų14372%0.7279%0.787SS**  trans-150.4137.9-154.352.80000115.7
103S28.8Very low26.7Very low114 Ų114146.6 Ų146.680%0.79780%0.795SS**  trans67.7171.1160810000116.3
104P34.8Very low27.1Very low104 Ų104146.8 Ų146.868%0.67580%0.796SS**  cis-142.9164.612.542.7-23.3000120.3
105L27.4Very low27.1Very low160 Ų160147 Ų14784%0.83880%0.804SS**  trans44.6129.8139.8-64.7168.8000124.5
106K26.3Very low27.3Very low200 Ų200148.3 Ų148.387%0.8781%0.809SS**  -153.6162121.5-143.8-176.9179.3-169.10111.6
107V26.9Very low27.4Very low112 Ų112148 Ų14868%0.67981%0.812SS**  trans-150.1139.7-169.51760000112.7
108E26.7Very low27.6Very low173 Ų173144.1 Ų144.181%0.80881%0.807SS**  trans-155.5138.1155-101.4156.6168.300106.7
109R25.8Very low27.7Very low229 Ų229143.2 Ų143.286%0.86480%0.802SS**  cis72.9134.748.2-73.3-169.4177.2-176.90.7112.9
110V26Very low27.6Very low120 Ų120146 Ų14673%0.72781%0.806SS**  cis-160.2154.3-0.795.30000112.5
111S26.6Very low28.1Very low121 Ų121148.6 Ų148.685%0.84681%0.808SS**  trans50.3164157.4-56.40000122.5
112G29.4Very low28.5Very low71 Ų71142.6 Ų142.673%0.73280%0.802SS**  trans-146.7-179.7174.800000113
113V27.9Very low28.6Very low144 Ų144147.8 Ų147.887%0.87381%0.812SS**  trans-142.2150.8-177.3172.90000110.8
114V33.1Very low28.8Very low137 Ų137146.9 Ų146.983%0.8381%0.811SS**  trans-104.7139.1173.2174.20000110.4
115A27.9Very low28.5Very low98 Ų98149.5 Ų149.581%0.8182%0.819SS**  trans-142.2150.2165.700000111.4
116R30.3Very low28.7Very low242 Ų242146.9 Ų146.991%0.91381%0.812SS**  trans-117.1154.6175-77.6175.3160.9-179.6-6.6109.6
117S26.6Very low29.3Very low119 Ų119143.1 Ų143.183%0.83281%0.808SS**  trans-144.6143.6153.3-165.50000111.4
118L27.7Very low29.5Very low145 Ų145143.4 Ų143.476%0.75981%0.812SS**  trans-95.6-175.8165.7-60.996.6000108.6
119V27.6Very low29.6Very low126 Ų126142.5 Ų142.576%0.76481%0.811SS**  cis-131.6-165.6-2.5-136.40000107.6
120E25.5Very low30Very low176 Ų176138.7 Ų138.782%0.82281%0.806SS**  cis-164.8169.134.7-157.8164.3-132.500111.8
121M36Very low30.1Very low171 Ų171139.2 Ų139.284%0.84281%0.809SS**  trans-143.4136.4174.7-68.1-146.677.400113.6
122P32Very low30.3Very low129 Ų129140.9 Ų140.984%0.83881%0.809SS**PPolyproline II helixtrans-92.6171.9165.1-7.127.1000114.3
123K27.3Very low30.2Very low213 Ų213142.1 Ų142.193%0.92681%0.812SS**PPolyproline II helixtrans-100.4161.1-172.1-99.1176.7174176.20114.8
124A32.9Very low30.2Very low94 Ų94142.9 Ų142.978%0.77781%0.811SS**PPolyproline II helixtrans-80162.3169.100000113.5
125N27.6Very low30.4Very low160 Ų160141.5 Ų141.586%0.85681%0.808SS**  trans-157.5178.2167-126.83.8000110.2
126P33.3Very low30.5Very low104 Ų104145.3 Ų145.368%0.67581%0.814SS**  -99.5171.4-122.2-0.923000116.8
127P38.3Very low30.4Very low122 Ų122140.3 Ų140.379%0.79281%0.805SS**  trans-86.6147.3-176.634.7-35.4000114.5
128P30.2Very low30.5Very low118 Ų118139.6 Ų139.677%0.76681%0.806SS**  trans-102.5114.5166.834.7-27.2000113.3
129I28.9Very low30.4Very low154 Ų154135.4 Ų135.479%0.7980%0.798SS**  trans33.4124.8135.2-58.4172.6000119.2
130I35.8Very low31Very low149 Ų149134.8 Ų134.876%0.76480%0.797SS**  trans-70.6136166.2-59.1165.2000110.6
131V26.3Very low31.1Very low130 Ų130136.8 Ų136.879%0.78880%0.798SS**  trans-134.2124.8157.3-78.40000109.9
132N31.1Very low30.7Very low157 Ų157136 Ų13684%0.8480%0.802SS**  trans-86.9139.3164.5-72.2-4.4000108.6
133A27.1Very low30.8Very low96 Ų96137.5 Ų137.579%0.79380%0.804SS**  trans-148.7142.4164.500000108.3
134D28.3Very low30.9Very low160 Ų160130 Ų13086%0.85679%0.787SS**  trans-82.9154.9-164.4-60.2-80.2000115.2
135S38.1Very low31.1Very low109 Ų109130.7 Ų130.776%0.76279%0.786SS**  trans33.1125.5142.6-164.30000120.5
136L29.9Very low31.9Very low178 Ų178129 Ų12993%0.93278%0.777SS**  trans-144.8110.8144.6-114169.5000112.3
137D28.8Very low32.7Very low137 Ų137127 Ų12773%0.73378%0.775SS**  trans-33.6149.1176.7-17827.3000119.7G139D137-G139 PolarHBondContact OD1-N 2.71Å
138A28.3Very low33.5Very low103 Ų103124.8 Ų124.885%0.85176%0.755SS**  trans-156.167.715700000111.8
139G25.1Very low35.3Very low57 Ų57123.1 Ų123.159%0.58873%0.734SS**  trans-73.8-157.5171.100000114.6D137D137-G139 PolarHBondContact OD1-N 2.71Å
140P39.6Very low37.7Very low114 Ų114120.3 Ų120.374%0.7472%0.716SS**  cis-132.9177.1-2.739.7-22.2000115.2
141Y27.2Very low40.1Very low217 Ų217118.7 Ų118.785%0.85170%0.701SS**  trans62.696.5170.7-73-88.5000118.9
142V29Very low43Very low154 Ų154114.4 Ų114.493%0.93367%0.672SS**  -137.2152.997-166.40000107.4
143N32.7Very low45.8Very low162 Ų162110.7 Ų110.787%0.86665%0.65SS**  trans-110.4112.8-172.1-174.214.4000112
144G29.6Very low49Very low56 Ų56106.1 Ų106.158%0.57761%0.612SS**SBendtrans176.5106.317500000116.9D146G144-D146 PolarHBondContact O-N 2.93Å
145S38.3Very low52Low108 Ų108101.6 Ų101.676%0.75559%0.588SS**  trans53.642.1156.359.30000118.8G147 M148S145-G147 PolarHBondContact O-N 3.32Å; S145-M148 PolarHBondContact O-N 2.9Å
146D43.9Very low54.6Low125 Ų12596.6 Ų96.667%0.66855%0.552SS**THydrogen-bonded Turntrans-71.121.4-172.5-148.724.3000116.3G144G144-D146 PolarHBondContact O-N 2.93Å
147G49.5Very low57.4Low61 Ų6195.1 Ų95.163%0.62954%0.54SS*.THydrogen-bonded Turntrans-103.4-11.8174.900000114.7S145S145-G147 PolarHBondContact O-N 3.32Å
148M55.1Low60.2Low76 Ų7692.6 Ų92.637%0.37452%0.521SS..SBendtrans-89.9-14.4-178.3-89.2-77.8173.900114S145 R239 Q240S145-M148 PolarHBondContact O-N 2.9Å; M148-R239 CarbonylContact O-C 3.58Å; M148-R239 WeakPolarHBondContact O-CA 3.24Å; M148-R239 WeakPolarHBondContact O-CG 3.41Å; M148-Q240 PolarHBondContact O-N 2.82Å
149Y67.8Low62.5Low82 Ų8289.4 Ų89.432%0.32250%0.498SS..EExtended strand (participates in β ladder)trans-134.5154.1-175.1-66.5-91.9000111.9R237 R238 R239 Q240Y149-R237 HydrophobicContact CD1-CB 4.49Å; Y149-R238 CarbonylContact C-O 3.59Å; Y149-R238 WeakPolarHBondContact CA-O 3.29Å; Y149-R238 WeakPolarHBondContact CB-O 3.4Å; Y149-R238 WeakPolarHBondContact CD1-O 3.31Å; Y149-R239 HydrophobicContact CD1-CB 4.22Å; Y149-R239 HydrophobicContact CE1-CB 3.99Å; Y149-R239 HydrophobicContact CE1-CG 4.28Å; Y149-Q240 PolarHBondContact O-NE2 2.89Å
150K79.8Confident64.7Low95 Ų9595.7 Ų95.741%0.41352%0.518SS..EExtended strand (participates in β ladder)trans-118129169.8-173.6-159.6176-163.10107.4E152 R237 R238 Q240K150-E152 IonicContact NZ-OE2 3.08Å; K150-E152 PolarHBondContact NZ-OE2 2.81Å; K150-R237 WeakPolarHBondContact O-CA 3.35Å; K150-R238 PolarHBondContact N-O 3.48Å; K150-R238 PolarHBondContact O-N 2.96Å; K150-Q240 HydrophobicContact CB-CG 3.8Å
151Y85.9Confident66.3Low115 Ų11594.6 Ų94.645%0.45151%0.513SS..EExtended strand (participates in β ladder)trans-95.2143.3171.4-58.2-89.2000110.1L206 V236 R237Y151-L206 HydrophobicContact CD1-CD1 3.97Å; Y151-L206 HydrophobicContact CE1-CD1 3.73Å; Y151-V236 WeakPolarHBondContact CA-O 3.44Å; Y151-R237 HydrophobicContact CD1-CB 3.86Å; Y151-R237 HydrophobicContact CE1-CB 3.72Å
152E87.2Confident69.1Low40 Ų4085.3 Ų85.319%0.18748%0.483CS..EExtended strand (participates in β ladder)trans-146.7132.9179.4-161.3167.1153.100110.1K150 I154 V236 R238K150-E152 IonicContact NZ-OE2 3.08Å; K150-E152 PolarHBondContact NZ-OE2 2.81Å; E152-I154 HydrophobicContact CG-CG1 4.23Å; E152-V236 HydrophobicContact CB-CG2 4.13Å; E152-V236 PolarHBondContact N-O 3.44Å; E152-V236 WeakPolarHBondContact O-CG2 3.17Å; E152-V236 PolarHBondContact O-N 2.85Å; E152-R238 IonicContact OE1-NH1 2.62Å; E152-R238 IonicContact OE2-CZ 2.63Å; E152-R238 IonicContact OE2-NH1 2.72Å; E152-R238 PolarHBondContact OE2-NH1 3.1Å
153E91.2Very high71.9Confident79 Ų7978.8 Ų78.837%0.36944%0.443SS..EExtended strand (participates in β ladder)trans-97.6122.2170.8-169.2172-89.800109.9R207 L234E153-R207 IonicContact OE1-NH2 3.58Å; E153-R207 PolarHBondContact OE1-NH2 3.38Å; E153-L234 WeakPolarHBondContact CA-O 3.39Å
154I93.4Very high74.5Confident0 Ų071.2 Ų71.20%040%0.404CS..EExtended strand (participates in β ladder)trans-118.2130.3-175.3-58.6171.9000108E152 L156 R198 L199 R233 L234 V236E152-I154 HydrophobicContact CG-CG1 4.23Å; I154-L156 HydrophobicContact CG2-CD2 3.89Å; I154-L156 HydrophobicContact CG2-CG 4.06Å; I154-R198 HydrophobicContact CD1-CB 4.02Å; I154-R198 HydrophobicContact CG1-CB 4.16Å; I154-R198 HydrophobicContact CG2-CB 4.3Å; I154-L199 HydrophobicContact CD1-CB 4.17Å; I154-L199 HydrophobicContact CD1-CD1 3.83Å; I154-R233 CarbonylContact O-C 3.48Å; I154-R233 WeakPolarHBondContact O-CA 3.47Å; I154-L234 PolarHBondContact N-O 2.8Å; I154-L234 PolarHBondContact O-N 2.94Å; I154-V236 HydrophobicContact CD1-CG2 3.88Å
155I92.4Very high77.5Confident66 Ų6669.9 Ų69.934%0.33838%0.382SS..EExtended strand (participates in β ladder)trans-112.9118.1-178.6-52.4-173.4000108R198 V231 R233I155-R198 PolarHBondContact O-NH2 2.66Å; I155-V231 HydrophobicContact CG2-CG1 3.58Å; I155-R233 HydrophobicContact CD1-CG 4.23Å; I155-R233 HydrophobicContact CG1-CB 4.49Å; I155-R233 HydrophobicContact CG1-CG 4.01Å; I155-R233 HydrophobicContact CG2-CG 4.3Å
156L92Very high80Confident3 Ų366.9 Ų66.92%0.01636%0.361CS..EExtended strand (participates in β ladder)trans-117.8132.9-177.3-60.2179.2000110.9I154 L163 F165 A193 D196 L199 V232 L234I154-L156 HydrophobicContact CG2-CD2 3.89Å; I154-L156 HydrophobicContact CG2-CG 4.06Å; L156-L163 HydrophobicContact CB-CD2 4.32Å; L156-F165 HydrophobicContact CD1-CD1 4.25Å; L156-F165 HydrophobicContact CD1-CE1 3.91Å; L156-A193 HydrophobicContact CD1-CB 3.88Å; L156-D196 HydrophobicContact CD2-CB 3.45Å; L156-D196 VanDerWaalsContact CD2-CB 3.45Å; L156-L199 HydrophobicContact CD1-CD2 4.19Å; L156-V232 PolarHBondContact N-O 3.42Å; L156-V232 PolarHBondContact O-N 3.25Å; L156-L234 HydrophobicContact CD1-CD1 3.95Å
157E87.9Confident82.3Confident147 Ų14762.2 Ų62.269%0.68734%0.336SS*.EExtended strand (participates in β ladder)trans-87.9136.1169.7-57.6-165.3151.700110.3G159 A192 P230 V231E157-G159 PolarHBondContact O-N 2.98Å; E157-A192 WeakPolarHBondContact O-CB 3.13Å; E157-P230 WeakPolarHBondContact CA-O 3.31Å; E157-V231 HydrophobicContact CG-CG2 4.36Å
158R87.8Confident84Confident85 Ų8560.4 Ų60.432%0.32132%0.315SS..  trans-78.2105.1-175.9-168.1-173.6-56.9-103.7-3.6110.5L163 L225 G229 P230R158-L163 HydrophobicContact CB-CD2 4.07Å; R158-L163 HydrophobicContact CG-CD2 4.26Å; R158-L225 PolarHBondContact NH1-O 3.49Å; R158-L225 PolarHBondContact NH2-O 2.96Å; R158-G229 VanDerWaalsContact CZ-O 3.24Å; R158-G229 PolarHBondContact NE-O 2.9Å; R158-G229 PolarHBondContact NH2-O 2.89Å; R158-P230 PolarHBondContact N-O 2.92Å
159G78Confident85.6Confident36 Ų3656.8 Ų56.837%0.37130%0.297SS..BIsolated β-bridgetrans-73.1177.517500000113.7E157 S161 G162E157-G159 PolarHBondContact O-N 2.98Å; G159-S161 PolarHBondContact O-N 3.02Å; G159-G162 PolarHBondContact N-O 3.44Å; G159-G162 VanDerWaalsContact N-O 3.11Å; G159-G162 PolarHBondContact O-N 3.33Å
160N71Confident86.5Confident189 Ų18952.9 Ų52.9100%1.01128%0.282SS*.THydrogen-bonded Turntrans-58.4-19.5179.5-68.5-21.6000114.3
161S71.7Confident86.8Confident91 Ų9153 Ų5364%0.63629%0.286SS*.THydrogen-bonded Turntrans-104.312.7175.951.80000113.4G159G159-S161 PolarHBondContact O-N 3.02Å
162G86.3Confident86.9Confident22 Ų2252 Ų5223%0.22729%0.288CS..BIsolated β-bridgetrans86.5-150.5-173.700000112.8G159G159-G162 PolarHBondContact N-O 3.44Å; G159-G162 VanDerWaalsContact N-O 3.11Å; G159-G162 PolarHBondContact O-N 3.33Å
163L87.7Confident86.6Confident16 Ų1655.3 Ų55.38%0.08431%0.307CS..SBendtrans-82.3-12.3-176.8-60.5170.8000113.8L156 R158 F165 A193 L225 V232L156-L163 HydrophobicContact CB-CD2 4.32Å; R158-L163 HydrophobicContact CB-CD2 4.07Å; R158-L163 HydrophobicContact CG-CD2 4.26Å; L163-F165 HydrophobicContact CB-CD1 3.74Å; L163-F165 HydrophobicContact CB-CE1 3.46Å; L163-F165 VanDerWaalsContact CB-CE1 3.46Å; L163-F165 HydrophobicContact CB-CZ 4.3Å; L163-F165 HydrophobicContact CD1-CE1 3.83Å; L163-F165 HydrophobicContact CD1-CZ 3.94Å; L163-F165 HydrophobicContact CG-CE1 4.24Å; L163-A193 WeakPolarHBondContact O-CB 3.42Å; L163-A193 PolarHBondContact O-N 3.27Å; L163-L225 HydrophobicContact CD1-CD2 3.95Å; L163-V232 HydrophobicContact CD1-CB 4.3Å; L163-V232 HydrophobicContact CD1-CG1 4.23Å; L163-V232 HydrophobicContact CD1-CG2 4.08Å; L163-V232 HydrophobicContact CD2-CB 4Å; L163-V232 HydrophobicContact CD2-CG2 3.73Å; L163-V232 HydrophobicContact CG-CG2 4.49Å
164G88.9Confident86.3Confident4 Ų454.7 Ų54.74%0.04131%0.31CS..SBendtrans76.428.2175.600000115.5I188G164-I188 WeakPolarHBondContact O-CB 3.38Å; G164-I188 PolarHBondContact O-N 2.81Å
165F92.3Very high85.8Confident27 Ų2759 Ų5912%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-142.3171.2172.864.8-98000112.4L156 L163 I167 I184 K186 I187 A193 L199 L225 L234L156-F165 HydrophobicContact CD1-CD1 4.25Å; L156-F165 HydrophobicContact CD1-CE1 3.91Å; L163-F165 HydrophobicContact CB-CD1 3.74Å; L163-F165 HydrophobicContact CB-CE1 3.46Å; L163-F165 VanDerWaalsContact CB-CE1 3.46Å; L163-F165 HydrophobicContact CB-CZ 4.3Å; L163-F165 HydrophobicContact CD1-CE1 3.83Å; L163-F165 HydrophobicContact CD1-CZ 3.94Å; L163-F165 HydrophobicContact CG-CE1 4.24Å; F165-I167 HydrophobicContact CD2-CG2 4.08Å; F165-I167 HydrophobicContact CE2-CG2 3.86Å; F165-I184 HydrophobicContact CB-CG2 4.31Å; F165-I184 HydrophobicContact CD2-CD1 3.48Å; F165-I184 VanDerWaalsContact CD2-CD1 3.48Å; F165-I184 HydrophobicContact CE2-CD1 3.59Å; F165-I184 HydrophobicContact CG-CD1 4.18Å; F165-I184 HydrophobicContact CZ-CD1 4.35Å; F165-K186 CarbonylContact C-O 3.59Å; F165-K186 WeakPolarHBondContact CA-O 3.32Å; F165-K186 WeakPolarHBondContact CB-O 3.37Å; F165-I187 HydrophobicContact CB-CD1 3.9Å; F165-A193 HydrophobicContact CB-CB 4.37Å; F165-A193 HydrophobicContact CD1-CB 3.96Å; F165-L199 HydrophobicContact CB-CD2 4.19Å; F165-L199 HydrophobicContact CD1-CD2 3.56Å; F165-L199 HydrophobicContact CD2-CD2 4.47Å; F165-L199 HydrophobicContact CE1-CD2 3.91Å; F165-L199 HydrophobicContact CG-CD2 3.86Å; F165-L199 HydrophobicContact CZ-CD2 4.5Å; F165-L225 HydrophobicContact CE2-CD1 4.09Å; F165-L225 HydrophobicContact CE2-CD2 4.33Å; F165-L225 HydrophobicContact CZ-CD1 4.39Å; F165-L225 HydrophobicContact CZ-CD2 3.81Å; F165-L234 HydrophobicContact CE1-CD1 3.79Å; F165-L234 HydrophobicContact CZ-CD1 3.74Å
166S89.7Confident85.2Confident46 Ų4659.4 Ų59.432%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-126.7147.6175.3-52.80000110.7I184 T185 K186S166-I184 WeakPolarHBondContact O-CA 3.42Å; S166-T185 PolarHBondContact O-N 2.86Å; S166-T185 PolarHBondContact O-OG1 2.96Å; S166-K186 PolarHBondContact N-O 2.88Å
167I92.4Very high83.8Confident27 Ų2764.7 Ų64.714%0.13837%0.367CS..EExtended strand (participates in β ladder)trans-119.7154.3177.654.6161000112.4F165 I182 F183 I184 A221 V222 L225F165-I167 HydrophobicContact CD2-CG2 4.08Å; F165-I167 HydrophobicContact CE2-CG2 3.86Å; I167-I182 HydrophobicContact CB-CG2 3.89Å; I167-I182 HydrophobicContact CD1-CG2 3.75Å; I167-I182 HydrophobicContact CG1-CG2 4.44Å; I167-I182 HydrophobicContact CG2-CG2 3.9Å; I167-F183 CarbonylContact C-O 3.53Å; I167-F183 VanDerWaalsContact CA-O 3.24Å; I167-F183 WeakPolarHBondContact CA-O 3.21Å; I167-I184 HydrophobicContact CG2-CD1 3.9Å; I167-A221 HydrophobicContact CD1-CB 4.07Å; I167-V222 HydrophobicContact CD1-CG2 3.87Å; I167-V222 HydrophobicContact CG1-CG2 4.47Å; I167-L225 HydrophobicContact CD1-CD1 3.75Å; I167-L225 HydrophobicContact CG1-CD1 4.34Å; I167-L225 HydrophobicContact CG2-CD1 4.36Å
168A85Confident83.1Confident22 Ų2265.8 Ų65.818%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-140.3172.6164.100000109.7H175 F183 T185A168-H175 HydrophobicContact CB-CB 4.14Å; A168-F183 PolarHBondContact N-O 3.38Å; A168-F183 PolarHBondContact O-N 3.02Å; A168-T185 HydrophobicContact CB-CG2 3.46Å; A168-T185 VanDerWaalsContact CB-CG2 3.46Å
169G88.8Confident82.8Confident0 Ų063.4 Ų63.40%037%0.371CS..EExtended strand (participates in β ladder)trans94.6-176.4-176.200000113N173 G181 I182 H218G169-N173 CarbonylContact C-O 3.56Å; G169-N173 VanDerWaalsContact CA-O 3.27Å; G169-N173 WeakPolarHBondContact CA-O 3.19Å; G169-G181 WeakPolarHBondContact CA-O 3.43Å; G169-I182 WeakPolarHBondContact O-CD1 3.34Å; G169-H218 WeakPolarHBondContact O-CB 3.25Å; G169-H218 PolarHBondContact O-ND1 2.72Å
170G87.6Confident83.1Confident0 Ų063.5 Ų63.50%037%0.365CS..  trans116.7155.3-166.600000111.6D172 N173 P174 P180 G181 V216G170-D172 PolarHBondContact O-N 2.79Å; G170-D172 VanDerWaalsContact O-N 3.07Å; G170-N173 CarbonylContact O-C 3.18Å; G170-N173 PolarHBondContact O-N 2.89Å; G170-P174 WeakPolarHBondContact O-CA 3.46Å; G170-P174 VanDerWaalsContact O-N 3.09Å; G170-P180 CarbonylContact C-O 3.59Å; G170-P180 WeakPolarHBondContact CA-O 3.3Å; G170-P180 PolarHBondContact N-O 2.95Å; G170-G181 PolarHBondContact N-O 3.49Å; G170-V216 CarbonylContact C-O 3.57Å; G170-V216 WeakPolarHBondContact CA-O 3.49Å
171I86.5Confident83.9Confident99 Ų9954.6 Ų54.651%0.50832%0.317SS..THydrogen-bonded Turntrans-61.1-20.6-173.866.6177.7000114.3P180 E215 V216 V217I171-P180 HydrophobicContact CG2-CB 3.71Å; I171-E215 HydrophobicContact CG2-CB 4.46Å; I171-V216 PolarHBondContact N-O 2.91Å; I171-V217 HydrophobicContact CD1-CG1 3.83Å; I171-V217 HydrophobicContact CG1-CB 4.44Å; I171-V217 HydrophobicContact CG1-CG1 3.58Å
172D86.2Confident84.9Confident92 Ų9250.3 Ų50.349%0.49229%0.288SS..THydrogen-bonded Turntrans-89.3-18.6178.658.1-37.6000113.6G170 V217 H218G170-D172 PolarHBondContact O-N 2.79Å; G170-D172 VanDerWaalsContact O-N 3.07Å; D172-V217 HydrophobicContact CB-CG1 4.14Å; D172-V217 VanDerWaalsContact OD1-CA 3.29Å; D172-V217 WeakPolarHBondContact OD1-CA 3.24Å; D172-H218 PolarHBondContact OD1-N 3.47Å
173N82Confident85.2Confident110 Ų11049.9 Ų49.959%0.58828%0.279SS*.SBendtrans-157.870.8-179.6-173.536.2000110.7G169 G170 H175G169-N173 CarbonylContact C-O 3.56Å; G169-N173 VanDerWaalsContact CA-O 3.27Å; G169-N173 WeakPolarHBondContact CA-O 3.19Å; G170-N173 CarbonylContact O-C 3.18Å; G170-N173 PolarHBondContact O-N 2.89Å; N173-H175 PolarHBondContact O-N 3.48Å
174P84.6Confident85.4Confident66 Ų6649.1 Ų49.143%0.42928%0.275SS..  trans-63.1132.7-174.325-34.4000111.3G170G170-P174 WeakPolarHBondContact O-CA 3.46Å; G170-P174 VanDerWaalsContact O-N 3.09Å
175H82.4Confident85.3Confident91 Ų9151.3 Ų51.342%0.42129%0.288SS..SBendtrans-80.3-27.5-176.5-174.440.4000112.7A168 N173 F183A168-H175 HydrophobicContact CB-CB 4.14Å; N173-H175 PolarHBondContact O-N 3.48Å; H175-F183 HydrophobicContact CB-CD2 4.17Å
176I80.3Confident84.9Confident75 Ų7556 Ų5639%0.38531%0.309SS..BIsolated β-bridgetrans-118.7134.8174.7-58.4-176.3000106.3D178 D179 F183I176-D178 PolarHBondContact O-N 2.86Å; I176-D179 HydrophobicContact CB-CB 4.25Å; I176-D179 HydrophobicContact CG2-CB 4.44Å; I176-D179 PolarHBondContact O-N 2.81Å; I176-F183 HydrophobicContact CD1-CD1 4.08Å; I176-F183 HydrophobicContact CD1-CD2 4.5Å; I176-F183 HydrophobicContact CD1-CE1 3.58Å; I176-F183 HydrophobicContact CD1-CE2 4.08Å; I176-F183 HydrophobicContact CD1-CZ 3.6Å; I176-F183 HydrophobicContact CG1-CE2 4.2Å; I176-F183 HydrophobicContact CG1-CZ 4.22Å
177P62.2Low84.7Confident114 Ų11455.8 Ų55.874%0.7430%0.303SS*.THydrogen-bonded Turntrans-52.9134173.9-26.235.3000111.4D179P177-D179 PolarHBondContact O-N 3.23Å; P177-D179 VanDerWaalsContact O-N 3.14Å
178D74.7Confident84.3Confident170 Ų17057.9 Ų57.991%0.90931%0.314SS*.THydrogen-bonded Turntrans58.913.6-179.7-52.2-38.7000116.7I176I176-D178 PolarHBondContact O-N 2.86Å
179D81.4Confident84Confident35 Ų3562.6 Ų62.619%0.18734%0.343CS..BIsolated β-bridgetrans-120.9112.1166.6-165.8-44.3000110.8I176 P177 G181 F183 R237I176-D179 HydrophobicContact CB-CB 4.25Å; I176-D179 HydrophobicContact CG2-CB 4.44Å; I176-D179 PolarHBondContact O-N 2.81Å; P177-D179 PolarHBondContact O-N 3.23Å; P177-D179 VanDerWaalsContact O-N 3.14Å; D179-G181 PolarHBondContact O-N 3.43Å; D179-G181 WeakPolarHBondContact OD1-CA 3.46Å; D179-G181 PolarHBondContact OD1-N 3.44Å; D179-F183 HydrophobicContact CB-CE2 4.5Å; D179-F183 HydrophobicContact CB-CZ 4.33Å; D179-R237 VanDerWaalsContact CG-NH2 3.26Å; D179-R237 IonicContact OD1-NH2 2.68Å; D179-R237 PolarHBondContact OD1-NH2 2.66Å; D179-R237 IonicContact OD2-CZ 3.86Å; D179-R237 IonicContact OD2-NH1 3.16Å; D179-R237 IonicContact OD2-NH2 3.68Å; D179-R237 PolarHBondContact OD2-NH2 3.49Å
180P82.8Confident83.4Confident38 Ų3865.5 Ų65.525%0.24737%0.372CS..  trans-74.5-4.5-178.130.8-35.7000114.4G170 I171 E215G170-P180 CarbonylContact C-O 3.59Å; G170-P180 WeakPolarHBondContact CA-O 3.3Å; G170-P180 PolarHBondContact N-O 2.95Å; I171-P180 HydrophobicContact CG2-CB 3.71Å; P180-E215 HydrophobicContact CG-CG 4.19Å
181G89.4Confident83.3Confident1 Ų165.5 Ų65.51%0.0137%0.373CS..  trans-62.5164.6-168.900000115.9G169 G170 D179 F183G169-G181 WeakPolarHBondContact CA-O 3.43Å; G170-G181 PolarHBondContact N-O 3.49Å; D179-G181 PolarHBondContact O-N 3.43Å; D179-G181 WeakPolarHBondContact OD1-CA 3.46Å; D179-G181 PolarHBondContact OD1-N 3.44Å; G181-F183 WeakPolarHBondContact O-CD2 3.28Å; G181-F183 WeakPolarHBondContact O-CE2 3.29Å
182I92.8Very high83.3Confident2 Ų261.8 Ų61.81%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-94.8114.1176.5-57.1-65.2000109.4I167 G169 C204 V205 V213 V216 A221I167-I182 HydrophobicContact CB-CG2 3.89Å; I167-I182 HydrophobicContact CD1-CG2 3.75Å; I167-I182 HydrophobicContact CG1-CG2 4.44Å; I167-I182 HydrophobicContact CG2-CG2 3.9Å; G169-I182 WeakPolarHBondContact O-CD1 3.34Å; I182-C204 CarbonylContact O-C 3.45Å; I182-C204 WeakPolarHBondContact O-CA 3.34Å; I182-V205 HydrophobicContact CB-CB 4.48Å; I182-V205 HydrophobicContact CG2-CB 4.43Å; I182-V205 PolarHBondContact O-N 3Å; I182-V213 HydrophobicContact CG1-CB 4.41Å; I182-V213 VanDerWaalsContact CG1-O 3.27Å; I182-V213 WeakPolarHBondContact CG1-O 3.41Å; I182-V216 HydrophobicContact CD1-CG2 4.4Å; I182-V216 HydrophobicContact CG1-CG2 4.34Å; I182-A221 HydrophobicContact CD1-CB 3.52Å; I182-A221 HydrophobicContact CG1-CB 3.67Å; I182-A221 HydrophobicContact CG2-CB 4.16Å
183F92.4Very high83.4Confident13 Ų1357.4 Ų57.46%0.05733%0.333CS..EExtended strand (participates in β ladder)trans-109138.6-173.8-66.4-91.3000112.6I167 A168 H175 I176 D179 G181 T185 D203 C204I167-F183 CarbonylContact C-O 3.53Å; I167-F183 VanDerWaalsContact CA-O 3.24Å; I167-F183 WeakPolarHBondContact CA-O 3.21Å; A168-F183 PolarHBondContact N-O 3.38Å; A168-F183 PolarHBondContact O-N 3.02Å; H175-F183 HydrophobicContact CB-CD2 4.17Å; I176-F183 HydrophobicContact CD1-CD1 4.08Å; I176-F183 HydrophobicContact CD1-CD2 4.5Å; I176-F183 HydrophobicContact CD1-CE1 3.58Å; I176-F183 HydrophobicContact CD1-CE2 4.08Å; I176-F183 HydrophobicContact CD1-CZ 3.6Å; I176-F183 HydrophobicContact CG1-CE2 4.2Å; I176-F183 HydrophobicContact CG1-CZ 4.22Å; D179-F183 HydrophobicContact CB-CE2 4.5Å; D179-F183 HydrophobicContact CB-CZ 4.33Å; G181-F183 WeakPolarHBondContact O-CD2 3.28Å; G181-F183 WeakPolarHBondContact O-CE2 3.29Å; F183-T185 PolarHBondContact O-N 3.15Å; F183-D203 CarbonylContact C-O 3.59Å; F183-D203 WeakPolarHBondContact CA-O 3.05Å; F183-C204 HydrophobicContact CD1-CB 3.79Å; F183-C204 HydrophobicContact CE1-CB 3.57Å; F183-C204 HydrophobicContact CZ-CB 4.14Å
184I91.1Very high83.5Confident0 Ų054 Ų540%032%0.32CS..EExtended strand (participates in β ladder)trans-72109.2170.2-53.7-62.3000109.2F165 S166 I167 I187 L199 G200 V201 N202 D203 V205F165-I184 HydrophobicContact CB-CG2 4.31Å; F165-I184 HydrophobicContact CD2-CD1 3.48Å; F165-I184 VanDerWaalsContact CD2-CD1 3.48Å; F165-I184 HydrophobicContact CE2-CD1 3.59Å; F165-I184 HydrophobicContact CG-CD1 4.18Å; F165-I184 HydrophobicContact CZ-CD1 4.35Å; S166-I184 WeakPolarHBondContact O-CA 3.42Å; I167-I184 HydrophobicContact CG2-CD1 3.9Å; I184-I187 HydrophobicContact CG2-CD1 3.75Å; I184-I187 HydrophobicContact CG2-CG1 4.5Å; I184-L199 HydrophobicContact CD1-CD1 4.4Å; I184-L199 HydrophobicContact CD1-CD2 3.97Å; I184-L199 HydrophobicContact CD1-CG 4.47Å; I184-L199 HydrophobicContact CG1-CD1 4.14Å; I184-L199 HydrophobicContact CG1-CD2 4.24Å; I184-L199 HydrophobicContact CG1-CG 4.23Å; I184-G200 VanDerWaalsContact CB-O 3.32Å; I184-G200 WeakPolarHBondContact CB-O 3.47Å; I184-G200 WeakPolarHBondContact CG2-O 3.21Å; I184-V201 WeakPolarHBondContact O-CA 3.48Å; I184-N202 PolarHBondContact O-N 3.09Å; I184-D203 HydrophobicContact CB-CB 4.25Å; I184-D203 HydrophobicContact CG1-CB 3.78Å; I184-D203 WeakPolarHBondContact CG1-O 3.47Å; I184-D203 PolarHBondContact N-O 3.17Å; I184-V205 HydrophobicContact CD1-CG2 3.62Å; I184-V205 HydrophobicContact CG1-CG2 4.1Å
185T86.5Confident83.4Confident50 Ų5058.2 Ų58.231%0.30734%0.336SS..EExtended strand (participates in β ladder)trans-91.4-20.9-179.353.50000113.7S166 A168 F183S166-T185 PolarHBondContact O-N 2.86Å; S166-T185 PolarHBondContact O-OG1 2.96Å; A168-T185 HydrophobicContact CB-CG2 3.46Å; A168-T185 VanDerWaalsContact CB-CG2 3.46Å; F183-T185 PolarHBondContact O-N 3.15Å
186K84.3Confident83.7Confident126 Ų12656.5 Ų56.555%0.54833%0.33SS..EExtended strand (participates in β ladder)trans-157.2135.8-177-167169.3-174.6169.40111.9F165 S166F165-K186 CarbonylContact C-O 3.59Å; F165-K186 WeakPolarHBondContact CA-O 3.32Å; F165-K186 WeakPolarHBondContact CB-O 3.37Å; S166-K186 PolarHBondContact N-O 2.88Å
187I86.3Confident83.7Confident40 Ų4055.7 Ų55.721%0.20534%0.341CS..EExtended strand (participates in β ladder)trans-97.9136162.9-58.3-59.5000108.3F165 I184 A193 A194 L199 V201F165-I187 HydrophobicContact CB-CD1 3.9Å; I184-I187 HydrophobicContact CG2-CD1 3.75Å; I184-I187 HydrophobicContact CG2-CG1 4.5Å; I187-A193 HydrophobicContact CD1-CB 4.12Å; I187-A194 HydrophobicContact CG2-CB 3.64Å; I187-L199 HydrophobicContact CD1-CB 4.25Å; I187-L199 HydrophobicContact CD1-CD2 3.9Å; I187-L199 HydrophobicContact CD1-CG 4.04Å; I187-V201 HydrophobicContact CG1-CG2 4.02Å
188I83.6Confident84.8Confident72 Ų7255 Ų5537%0.36932%0.323SS..PPolyproline II helixtrans-96.4116.2-176.9-57.4176.8000108.8G164 G190 G191 A194G164-I188 WeakPolarHBondContact O-CB 3.38Å; G164-I188 PolarHBondContact O-N 2.81Å; I188-G190 PolarHBondContact O-N 3.22Å; I188-G191 PolarHBondContact O-N 3.1Å; I188-A194 VanDerWaalsContact O-CB 3.26Å; I188-A194 WeakPolarHBondContact O-CB 3.36Å
189P78.5Confident85.5Confident121 Ų12147.3 Ų47.379%0.78628%0.282SS*.THydrogen-bonded Turntrans-55.1129.1180-26.935.5000112.5G191P189-G191 VanDerWaalsContact C-N 3.25Å; P189-G191 PolarHBondContact O-N 2.98Å
190G76.6Confident85.7Confident60 Ų6046.7 Ų46.762%0.61928%0.284SS*.THydrogen-bonded Turntrans75.53.4-176.100000115.5I188I188-G190 PolarHBondContact O-N 3.22Å
191G84.8Confident85.7Confident1 Ų148.4 Ų48.41%0.0129%0.294CS..SBendtrans-84.5166.9165.900000112.3I188 P189 A193 A194 M195I188-G191 PolarHBondContact O-N 3.1Å; P189-G191 VanDerWaalsContact C-N 3.25Å; P189-G191 PolarHBondContact O-N 2.98Å; G191-A193 PolarHBondContact O-N 3.37Å; G191-A194 WeakPolarHBondContact O-CA 3.24Å; G191-A194 WeakPolarHBondContact O-CB 3.46Å; G191-A194 PolarHBondContact O-N 2.64Å; G191-M195 PolarHBondContact O-N 3.04Å; G191-M195 VanDerWaalsContact O-N 3.09Å
192A86.3Confident85.4Confident20 Ų2052.7 Ų52.717%0.16532%0.316CS..Hα-helixtrans-55.5-47.3-171.600000114E157 A194 M195 D196E157-A192 WeakPolarHBondContact O-CB 3.13Å; A192-A194 VanDerWaalsContact C-N 3.26Å; A192-A194 PolarHBondContact O-N 2.71Å; A192-M195 PolarHBondContact O-N 2.97Å; A192-D196 PolarHBondContact O-N 3.34Å
193A88.5Confident85.3Confident0 Ų052.8 Ų52.80%032%0.317CS..Hα-helixtrans-59.7-33175.500000113.8L156 L163 F165 I187 G191 M195 G197 L199L156-A193 HydrophobicContact CD1-CB 3.88Å; L163-A193 WeakPolarHBondContact O-CB 3.42Å; L163-A193 PolarHBondContact O-N 3.27Å; F165-A193 HydrophobicContact CB-CB 4.37Å; F165-A193 HydrophobicContact CD1-CB 3.96Å; I187-A193 HydrophobicContact CD1-CB 4.12Å; G191-A193 PolarHBondContact O-N 3.37Å; A193-M195 VanDerWaalsContact C-N 3.35Å; A193-G197 PolarHBondContact O-N 3.49Å; A193-L199 HydrophobicContact CB-CB 4.26Å; A193-L199 HydrophobicContact CB-CD2 3.85Å
194A84.6Confident85.2Confident39 Ų3952.3 Ų52.332%0.32232%0.315SS..Hα-helixtrans-75.9-22.7175.700000113.2I187 I188 G191 A192I187-A194 HydrophobicContact CG2-CB 3.64Å; I188-A194 VanDerWaalsContact O-CB 3.26Å; I188-A194 WeakPolarHBondContact O-CB 3.36Å; G191-A194 WeakPolarHBondContact O-CA 3.24Å; G191-A194 WeakPolarHBondContact O-CB 3.46Å; G191-A194 PolarHBondContact O-N 2.64Å; A192-A194 VanDerWaalsContact C-N 3.26Å; A192-A194 PolarHBondContact O-N 2.71Å
195M82.1Confident85.4Confident154 Ų15452.4 Ų52.476%0.75932%0.316SS*.Hα-helixtrans-87-33.8177-67.5-177.765.100112.5G191 A192 A193G191-M195 PolarHBondContact O-N 3.04Å; G191-M195 VanDerWaalsContact O-N 3.09Å; A192-M195 PolarHBondContact O-N 2.97Å; A193-M195 VanDerWaalsContact C-N 3.35Å
196D88.1Confident85.6Confident55 Ų5551.5 Ų51.529%0.29431%0.308SS..Hα-helixtrans-70.5-39.6168.9177.1-88.2000111.6L156 A192 R198L156-D196 HydrophobicContact CD2-CB 3.45Å; L156-D196 VanDerWaalsContact CD2-CB 3.45Å; A192-D196 PolarHBondContact O-N 3.34Å; D196-R198 PolarHBondContact O-N 2.69Å; D196-R198 VanDerWaalsContact O-N 3.16Å; D196-R198 WeakPolarHBondContact OD1-CB 3.27Å; D196-R198 WeakPolarHBondContact OD1-CG 3.31Å; D196-R198 IonicContact OD1-CZ 2.73Å; D196-R198 PolarHBondContact OD1-N 3.48Å; D196-R198 VanDerWaalsContact OD1-N 3.1Å; D196-R198 IonicContact OD1-NE 3.93Å; D196-R198 PolarHBondContact OD1-NE 2.8Å; D196-R198 IonicContact OD1-NH2 3.17Å; D196-R198 IonicContact OD2-CZ 2.6Å; D196-R198 VanDerWaalsContact OD2-CZ 3.3Å; D196-R198 IonicContact OD2-NE 3.18Å; D196-R198 PolarHBondContact OD2-NE 3.48Å; D196-R198 VanDerWaalsContact OD2-NE 3.08Å; D196-R198 IonicContact OD2-NH2 2.65Å; D196-R198 PolarHBondContact OD2-NH2 3.36Å
197G81.4Confident86.1Confident59 Ų5949 Ų4961%0.60830%0.296SS*.  trans75.3-6.2171.700000115.8A193A193-G197 PolarHBondContact O-N 3.49Å
198R84.6Confident86.5Confident100 Ų10047.2 Ų47.238%0.37729%0.287SS..  trans-81.8-26.6177.8-59.8175.8-73.4170.4-9.1113.6I154 I155 D196 R238I154-R198 HydrophobicContact CD1-CB 4.02Å; I154-R198 HydrophobicContact CG1-CB 4.16Å; I154-R198 HydrophobicContact CG2-CB 4.3Å; I155-R198 PolarHBondContact O-NH2 2.66Å; D196-R198 PolarHBondContact O-N 2.69Å; D196-R198 VanDerWaalsContact O-N 3.16Å; D196-R198 WeakPolarHBondContact OD1-CB 3.27Å; D196-R198 WeakPolarHBondContact OD1-CG 3.31Å; D196-R198 IonicContact OD1-CZ 2.73Å; D196-R198 PolarHBondContact OD1-N 3.48Å; D196-R198 VanDerWaalsContact OD1-N 3.1Å; D196-R198 IonicContact OD1-NE 3.93Å; D196-R198 PolarHBondContact OD1-NE 2.8Å; D196-R198 IonicContact OD1-NH2 3.17Å; D196-R198 IonicContact OD2-CZ 2.6Å; D196-R198 VanDerWaalsContact OD2-CZ 3.3Å; D196-R198 IonicContact OD2-NE 3.18Å; D196-R198 PolarHBondContact OD2-NE 3.48Å; D196-R198 VanDerWaalsContact OD2-NE 3.08Å; D196-R198 IonicContact OD2-NH2 2.65Å; D196-R198 PolarHBondContact OD2-NH2 3.36Å; R198-R238 PolarHBondContact O-NH2 2.95Å
199L88.6Confident87Confident8 Ų845.7 Ų45.74%0.04228%0.279CS..PPolyproline II helixtrans-80121.6-177.2-168.972.7000110.8I154 L156 F165 I184 I187 A193 D203 L234 V236I154-L199 HydrophobicContact CD1-CB 4.17Å; I154-L199 HydrophobicContact CD1-CD1 3.83Å; L156-L199 HydrophobicContact CD1-CD2 4.19Å; F165-L199 HydrophobicContact CB-CD2 4.19Å; F165-L199 HydrophobicContact CD1-CD2 3.56Å; F165-L199 HydrophobicContact CD2-CD2 4.47Å; F165-L199 HydrophobicContact CE1-CD2 3.91Å; F165-L199 HydrophobicContact CG-CD2 3.86Å; F165-L199 HydrophobicContact CZ-CD2 4.5Å; I184-L199 HydrophobicContact CD1-CD1 4.4Å; I184-L199 HydrophobicContact CD1-CD2 3.97Å; I184-L199 HydrophobicContact CD1-CG 4.47Å; I184-L199 HydrophobicContact CG1-CD1 4.14Å; I184-L199 HydrophobicContact CG1-CD2 4.24Å; I184-L199 HydrophobicContact CG1-CG 4.23Å; I187-L199 HydrophobicContact CD1-CB 4.25Å; I187-L199 HydrophobicContact CD1-CD2 3.9Å; I187-L199 HydrophobicContact CD1-CG 4.04Å; A193-L199 HydrophobicContact CB-CB 4.26Å; A193-L199 HydrophobicContact CB-CD2 3.85Å; L199-D203 HydrophobicContact CD1-CB 4.44Å; L199-L234 HydrophobicContact CD1-CD1 4.11Å; L199-L234 HydrophobicContact CD2-CD1 4.11Å; L199-V236 HydrophobicContact CD1-CG1 3.91Å
200G86.2Confident87.5Confident22 Ų2246.8 Ų46.823%0.22728%0.278CS..PPolyproline II helixtrans-94.1167-178.600000113.8I184 D203I184-G200 VanDerWaalsContact CB-O 3.32Å; I184-G200 WeakPolarHBondContact CB-O 3.47Å; I184-G200 WeakPolarHBondContact CG2-O 3.21Å; G200-D203 VanDerWaalsContact CA-OD1 3.32Å; G200-D203 WeakPolarHBondContact CA-OD1 3.07Å; G200-D203 VanDerWaalsContact N-CG 3.31Å; G200-D203 PolarHBondContact N-OD1 2.9Å; G200-D203 PolarHBondContact N-OD2 2.78Å
201V82.8Confident88.1Confident74 Ų7446.2 Ų46.245%0.44826%0.263SS..THydrogen-bonded Turntrans-82.4144.4161.41780000108I184 I187 D203I184-V201 WeakPolarHBondContact O-CA 3.48Å; I187-V201 HydrophobicContact CG1-CG2 4.02Å; V201-D203 PolarHBondContact O-N 3.05Å
202N84.1Confident88.5Confident91 Ų9150.8 Ų50.849%0.48729%0.287SS..THydrogen-bonded Turntrans69.67.1-169-49.8-30000115I184 C204I184-N202 PolarHBondContact O-N 3.09Å; N202-C204 PolarHBondContact O-N 3.31Å
203D89.1Confident88.8Confident4 Ų449.9 Ų49.92%0.02128%0.28CS..PPolyproline II helixtrans-61.7126.3164.2-74.318.2000109.1F183 I184 L199 G200 V201 V236 R238F183-D203 CarbonylContact C-O 3.59Å; F183-D203 WeakPolarHBondContact CA-O 3.05Å; I184-D203 HydrophobicContact CB-CB 4.25Å; I184-D203 HydrophobicContact CG1-CB 3.78Å; I184-D203 WeakPolarHBondContact CG1-O 3.47Å; I184-D203 PolarHBondContact N-O 3.17Å; L199-D203 HydrophobicContact CD1-CB 4.44Å; G200-D203 VanDerWaalsContact CA-OD1 3.32Å; G200-D203 WeakPolarHBondContact CA-OD1 3.07Å; G200-D203 VanDerWaalsContact N-CG 3.31Å; G200-D203 PolarHBondContact N-OD1 2.9Å; G200-D203 PolarHBondContact N-OD2 2.78Å; V201-D203 PolarHBondContact O-N 3.05Å; D203-V236 HydrophobicContact CB-CB 4.22Å; D203-V236 HydrophobicContact CB-CG1 4.25Å; D203-R238 VanDerWaalsContact CG-NE 3.27Å; D203-R238 WeakPolarHBondContact OD1-CD 3.25Å; D203-R238 WeakPolarHBondContact OD1-CG 3.39Å; D203-R238 IonicContact OD1-CZ 3.6Å; D203-R238 IonicContact OD1-NE 2.66Å; D203-R238 PolarHBondContact OD1-NE 3.35Å; D203-R238 IonicContact OD1-NH2 2.7Å; D203-R238 IonicContact OD2-CZ 3.04Å; D203-R238 IonicContact OD2-NE 2.85Å; D203-R238 PolarHBondContact OD2-NE 3.02Å; D203-R238 VanDerWaalsContact OD2-NE 3.14Å; D203-R238 IonicContact OD2-NH2 2.62Å; D203-R238 PolarHBondContact OD2-NH2 2.99Å
204C91.8Very high88.7Confident3 Ų351.7 Ų51.72%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-91.7116.5171.2-179.50000109I182 F183 N202 V236 R237I182-C204 CarbonylContact O-C 3.45Å; I182-C204 WeakPolarHBondContact O-CA 3.34Å; F183-C204 HydrophobicContact CD1-CB 3.79Å; F183-C204 HydrophobicContact CE1-CB 3.57Å; F183-C204 HydrophobicContact CZ-CB 4.14Å; N202-C204 PolarHBondContact O-N 3.31Å; C204-V236 CarbonylContact O-C 3.57Å; C204-V236 VanDerWaalsContact O-CA 3.24Å; C204-V236 WeakPolarHBondContact O-CA 3.46Å; C204-R237 HydrophobicContact CB-CG 3.63Å; C204-R237 PolarHBondContact N-O 3.3Å; C204-R237 PolarHBondContact O-N 2.82Å; C204-R237 PolarHBondContact SG-NE 3.04Å; C204-R237 PolarHBondContact SG-NH2 2.93Å
205V93.7Very high88.8Confident2 Ų256.6 Ų56.61%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-73.9128.8173.6-1690000108.9I182 I184 V208 V213 L234 V236I182-V205 HydrophobicContact CB-CB 4.48Å; I182-V205 HydrophobicContact CG2-CB 4.43Å; I182-V205 PolarHBondContact O-N 3Å; I184-V205 HydrophobicContact CD1-CG2 3.62Å; I184-V205 HydrophobicContact CG1-CG2 4.1Å; V205-V208 HydrophobicContact CG1-CG2 3.87Å; V205-V213 HydrophobicContact CB-CG2 4.27Å; V205-V213 HydrophobicContact CG1-CG2 3.76Å; V205-L234 HydrophobicContact CG1-CD2 4.22Å; V205-V236 HydrophobicContact CG2-CG1 4.26Å
206L92.4Very high89.1Confident30 Ų3050.6 Ų50.616%0.15728%0.28CS..EExtended strand (participates in β ladder)trans-109-33.3176.7-61.5177.2000111.7Y151 V213 S214 L235 R237Y151-L206 HydrophobicContact CD1-CD1 3.97Å; Y151-L206 HydrophobicContact CE1-CD1 3.73Å; L206-V213 PolarHBondContact O-N 3.23Å; L206-S214 PolarHBondContact O-N 3.45Å; L206-L235 PolarHBondContact N-O 2.91Å; L206-R237 HydrophobicContact CD1-CB 4.02Å; L206-R237 HydrophobicContact CD1-CG 4.04Å; L206-R237 HydrophobicContact CD2-CG 4.29Å; L206-R237 HydrophobicContact CG-CG 4.21Å
207R93.9Very high89.3Confident74 Ų7450.5 Ų50.528%0.27928%0.282SS..EExtended strand (participates in β ladder)trans-142.7141.4-177.2-156.5175.965116.5-1.5111.4E153 N209 D210 V211 L234 L235E153-R207 IonicContact OE1-NH2 3.58Å; E153-R207 PolarHBondContact OE1-NH2 3.38Å; R207-N209 WeakPolarHBondContact CG-O 3.4Å; R207-N209 PolarHBondContact NE-O 3.38Å; R207-N209 PolarHBondContact NH1-O 2.91Å; R207-D210 IonicContact NH1-OD1 2.94Å; R207-D210 PolarHBondContact NH1-OD1 2.91Å; R207-V211 CarbonylContact C-O 3.47Å; R207-V211 WeakPolarHBondContact CA-O 3.18Å; R207-V211 WeakPolarHBondContact CG-O 3.07Å; R207-L234 WeakPolarHBondContact O-CA 3.4Å; R207-L235 HydrophobicContact CB-CB 3.74Å; R207-L235 HydrophobicContact CB-CD2 4.42Å; R207-L235 PolarHBondContact N-O 2.91Å; R207-L235 PolarHBondContact O-N 2.83Å
208V95.3Very high89.7Confident3 Ų350.3 Ų50.32%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-124.9109.8175.6-178.80000108.4V205 D210 V211 V213 A224 L225 A228 V232 R233 L234V205-V208 HydrophobicContact CG1-CG2 3.87Å; V208-D210 PolarHBondContact O-N 2.87Å; V208-D210 VanDerWaalsContact O-N 3.09Å; V208-V211 PolarHBondContact N-O 2.67Å; V208-V211 WeakPolarHBondContact O-CB 3.37Å; V208-V211 PolarHBondContact O-N 2.84Å; V208-V213 HydrophobicContact CB-CG1 4.48Å; V208-V213 HydrophobicContact CG2-CG1 4.02Å; V208-V213 HydrophobicContact CG2-CG2 3.92Å; V208-A224 HydrophobicContact CB-CB 4.14Å; V208-A224 HydrophobicContact CG1-CB 4.27Å; V208-L225 HydrophobicContact CG1-CD2 3.79Å; V208-L225 HydrophobicContact CG1-CG 4.28Å; V208-L225 HydrophobicContact CG2-CD2 3.93Å; V208-L225 HydrophobicContact CG2-CG 4.2Å; V208-A228 HydrophobicContact CG1-CB 3.9Å; V208-V232 HydrophobicContact CG1-CG1 3.89Å; V208-R233 WeakPolarHBondContact CA-O 3.38Å; V208-L234 HydrophobicContact CB-CD2 4.47Å; V208-L234 HydrophobicContact CG1-CD2 4.31Å; V208-L234 HydrophobicContact CG2-CD2 3.94Å
209N93.1Very high90Very high40 Ų4048.6 Ų48.621%0.21427%0.268CS..THydrogen-bonded Turntrans47.5-112.2-161.3-67.9-3.2000110R207 A228 V232 R233R207-N209 WeakPolarHBondContact CG-O 3.4Å; R207-N209 PolarHBondContact NE-O 3.38Å; R207-N209 PolarHBondContact NH1-O 2.91Å; N209-A228 PolarHBondContact ND2-O 3.28Å; N209-A228 VanDerWaalsContact ND2-O 3.08Å; N209-V232 WeakPolarHBondContact OD1-CA 3.17Å; N209-R233 PolarHBondContact N-O 3.15Å; N209-R233 PolarHBondContact OD1-N 2.81Å
210D88.6Confident90.2Very high143 Ų14352.4 Ų52.477%0.76528%0.282SS*.THydrogen-bonded Turntrans-106.811.8-179-54.1-58.9000112.9R207 V208R207-D210 IonicContact NH1-OD1 2.94Å; R207-D210 PolarHBondContact NH1-OD1 2.91Å; V208-D210 PolarHBondContact O-N 2.87Å; V208-D210 VanDerWaalsContact O-N 3.09Å
211V90.8Very high90.4Very high49 Ų4951.4 Ų51.430%0.29727%0.271SS..EExtended strand (participates in β ladder)trans-100.4121.4176.8-174.40000109.7R207 V208 V213 A224R207-V211 CarbonylContact C-O 3.47Å; R207-V211 WeakPolarHBondContact CA-O 3.18Å; R207-V211 WeakPolarHBondContact CG-O 3.07Å; V208-V211 PolarHBondContact N-O 2.67Å; V208-V211 WeakPolarHBondContact O-CB 3.37Å; V208-V211 PolarHBondContact O-N 2.84Å; V211-V213 HydrophobicContact CG1-CG1 4.4Å; V211-A224 HydrophobicContact CB-CB 4.16Å; V211-A224 HydrophobicContact CG1-CB 3.93Å
212D91.7Very high90.9Very high97 Ų9749.9 Ų49.952%0.51926%0.262SS..EExtended strand (participates in β ladder)trans-69.7136.7169.2-161.3-42.3000110.2S214D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.03Å; D212-S214 PolarHBondContact OD1-N 2.65Å; D212-S214 PolarHBondContact OD1-OG 2.94Å
213V92.9Very high91.3Very high1 Ų149.5 Ų49.51%0.00626%0.258CS..  trans-13316.9178.5-59.80000112.5I182 V205 L206 V208 V211 V216 A221 A224I182-V213 HydrophobicContact CG1-CB 4.41Å; I182-V213 VanDerWaalsContact CG1-O 3.27Å; I182-V213 WeakPolarHBondContact CG1-O 3.41Å; V205-V213 HydrophobicContact CB-CG2 4.27Å; V205-V213 HydrophobicContact CG1-CG2 3.76Å; L206-V213 PolarHBondContact O-N 3.23Å; V208-V213 HydrophobicContact CB-CG1 4.48Å; V208-V213 HydrophobicContact CG2-CG1 4.02Å; V208-V213 HydrophobicContact CG2-CG2 3.92Å; V211-V213 HydrophobicContact CG1-CG1 4.4Å; V213-V216 HydrophobicContact CB-CG2 3.92Å; V213-V216 HydrophobicContact CG1-CG2 4.37Å; V213-A221 HydrophobicContact CB-CB 4.36Å; V213-A221 HydrophobicContact CG1-CB 4.37Å; V213-A224 HydrophobicContact CG1-CB 4.02Å
214S86.4Confident91.5Very high37 Ų3749.4 Ų49.426%0.25926%0.257SS..THydrogen-bonded Turntrans-67.2-43.9-176.656.20000113.8L206 D212L206-S214 PolarHBondContact O-N 3.45Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.03Å; D212-S214 PolarHBondContact OD1-N 2.65Å; D212-S214 PolarHBondContact OD1-OG 2.94Å
215E86.5Confident91.5Very high143 Ų14350.1 Ų50.167%0.66826%0.261SS*.THydrogen-bonded Turntrans-126.648.5-178.9-61-166.3133.100112.2I171 P180I171-E215 HydrophobicContact CG2-CB 4.46Å; P180-E215 HydrophobicContact CG-CG 4.19Å
216V90Very high91.3Very high27 Ų2757 Ų5716%0.16429%0.29CS..  trans-107.7162.2-177.8-57.50000112.9G170 I171 I182 V213 R220 A221G170-V216 CarbonylContact C-O 3.57Å; G170-V216 WeakPolarHBondContact CA-O 3.49Å; I171-V216 PolarHBondContact N-O 2.91Å; I182-V216 HydrophobicContact CD1-CG2 4.4Å; I182-V216 HydrophobicContact CG1-CG2 4.34Å; V213-V216 HydrophobicContact CB-CG2 3.92Å; V213-V216 HydrophobicContact CG1-CG2 4.37Å; V216-R220 HydrophobicContact CB-CB 4.25Å; V216-R220 HydrophobicContact CB-CG 4.47Å; V216-R220 HydrophobicContact CG2-CB 4.46Å; V216-A221 HydrophobicContact CG2-CB 3.95Å
217V90.4Very high91.2Very high54 Ų5461.8 Ų61.833%0.32731%0.312SS..  trans-66.5146.8165.7-68.10000110.8I171 D172 S219 R220 A221I171-V217 HydrophobicContact CD1-CG1 3.83Å; I171-V217 HydrophobicContact CG1-CB 4.44Å; I171-V217 HydrophobicContact CG1-CG1 3.58Å; D172-V217 HydrophobicContact CB-CG1 4.14Å; D172-V217 VanDerWaalsContact OD1-CA 3.29Å; D172-V217 WeakPolarHBondContact OD1-CA 3.24Å; V217-S219 WeakPolarHBondContact CG2-OG 3.33Å; V217-S219 PolarHBondContact O-N 2.87Å; V217-S219 VanDerWaalsContact O-N 3.15Å; V217-R220 HydrophobicContact CG2-CB 3.85Å; V217-R220 PolarHBondContact O-N 2.85Å; V217-A221 PolarHBondContact O-N 2.85Å
218H90Very high90.9Very high55 Ų5558.9 Ų58.926%0.25530%0.304SS..Hα-helixtrans-51.8-41.9-176.2-174.878.4000112.6G169 D172 R220 A221 V222G169-H218 WeakPolarHBondContact O-CB 3.25Å; G169-H218 PolarHBondContact O-ND1 2.72Å; D172-H218 PolarHBondContact OD1-N 3.47Å; H218-R220 VanDerWaalsContact C-N 3.31Å; H218-R220 PolarHBondContact O-N 2.69Å; H218-A221 PolarHBondContact O-N 3.19Å; H218-V222 WeakPolarHBondContact O-CG2 3.34Å; H218-V222 PolarHBondContact O-N 3.43Å; H218-V222 VanDerWaalsContact O-N 3.12Å
219S92.3Very high90.4Very high64 Ų6460 Ų6045%0.44832%0.316SS..Hα-helixtrans-57.9-38.9176.653.40000113V217 V222 E223V217-S219 WeakPolarHBondContact CG2-OG 3.33Å; V217-S219 PolarHBondContact O-N 2.87Å; V217-S219 VanDerWaalsContact O-N 3.15Å; S219-V222 WeakPolarHBondContact O-CB 3.49Å; S219-V222 PolarHBondContact O-N 3.01Å; S219-E223 WeakPolarHBondContact O-CG 3.5Å; S219-E223 PolarHBondContact O-N 2.85Å
220R92.1Very high90Very high87 Ų8762.8 Ų62.833%0.32834%0.336SS..Hα-helixtrans-73.9-34-177.7-173.362.9-166.9144.810.1112.3V216 V217 H218 V222 E223 A224 E227V216-R220 HydrophobicContact CB-CB 4.25Å; V216-R220 HydrophobicContact CB-CG 4.47Å; V216-R220 HydrophobicContact CG2-CB 4.46Å; V217-R220 HydrophobicContact CG2-CB 3.85Å; V217-R220 PolarHBondContact O-N 2.85Å; H218-R220 VanDerWaalsContact C-N 3.31Å; H218-R220 PolarHBondContact O-N 2.69Å; R220-V222 VanDerWaalsContact C-N 3.34Å; R220-E223 WeakPolarHBondContact CD-OE2 3.42Å; R220-E223 IonicContact CZ-OE2 2.73Å; R220-E223 IonicContact NE-OE2 2.68Å; R220-E223 IonicContact NH1-OE2 3.39Å; R220-E223 PolarHBondContact NH1-OE2 3.33Å; R220-E223 PolarHBondContact O-N 3Å; R220-A224 PolarHBondContact O-N 3.32Å; R220-E227 IonicContact CZ-OE2 2.74Å; R220-E227 IonicContact NH1-OE2 3.07Å; R220-E227 PolarHBondContact NH1-OE2 3.21Å; R220-E227 IonicContact NH2-OE2 3.06Å
221A91.3Very high90Very high1 Ų158.9 Ų58.91%0.00832%0.317CS..Hα-helixtrans-64.7-40170.200000111.7I167 I182 V213 V216 V217 H218 A224 L225I167-A221 HydrophobicContact CD1-CB 4.07Å; I182-A221 HydrophobicContact CD1-CB 3.52Å; I182-A221 HydrophobicContact CG1-CB 3.67Å; I182-A221 HydrophobicContact CG2-CB 4.16Å; V213-A221 HydrophobicContact CB-CB 4.36Å; V213-A221 HydrophobicContact CG1-CB 4.37Å; V216-A221 HydrophobicContact CG2-CB 3.95Å; V217-A221 PolarHBondContact O-N 2.85Å; H218-A221 PolarHBondContact O-N 3.19Å; A221-A224 PolarHBondContact O-N 3Å; A221-L225 WeakPolarHBondContact O-CG 3.32Å; A221-L225 PolarHBondContact O-N 2.88Å; A221-L225 VanDerWaalsContact O-N 3.1Å
222V92Very high90.2Very high42 Ų4256.5 Ų56.526%0.25530%0.303SS..Hα-helixtrans-66.2-34.9174.1171.20000112.1I167 H218 S219 R220 K226I167-V222 HydrophobicContact CD1-CG2 3.87Å; I167-V222 HydrophobicContact CG1-CG2 4.47Å; H218-V222 WeakPolarHBondContact O-CG2 3.34Å; H218-V222 PolarHBondContact O-N 3.43Å; H218-V222 VanDerWaalsContact O-N 3.12Å; S219-V222 WeakPolarHBondContact O-CB 3.49Å; S219-V222 PolarHBondContact O-N 3.01Å; R220-V222 VanDerWaalsContact C-N 3.34Å; V222-K226 HydrophobicContact CG1-CD 4.27Å; V222-K226 VanDerWaalsContact CG1-CE 3.5Å; V222-K226 WeakPolarHBondContact O-CD 3.23Å; V222-K226 VanDerWaalsContact O-CG 3.27Å; V222-K226 WeakPolarHBondContact O-CG 3.46Å; V222-K226 PolarHBondContact O-N 2.91Å
223E92.9Very high90.3Very high83 Ų8358 Ų5839%0.38830%0.301SS..Hα-helixtrans-64.8-51.5171.4-75.5170.7-175.900111.7S219 R220 L225 K226 E227S219-E223 WeakPolarHBondContact O-CG 3.5Å; S219-E223 PolarHBondContact O-N 2.85Å; R220-E223 WeakPolarHBondContact CD-OE2 3.42Å; R220-E223 IonicContact CZ-OE2 2.73Å; R220-E223 IonicContact NE-OE2 2.68Å; R220-E223 IonicContact NH1-OE2 3.39Å; R220-E223 PolarHBondContact NH1-OE2 3.33Å; R220-E223 PolarHBondContact O-N 3Å; E223-L225 VanDerWaalsContact C-N 3.27Å; E223-L225 PolarHBondContact O-N 3.1Å; E223-K226 CarbonylContact O-C 3.39Å; E223-K226 WeakPolarHBondContact O-CA 3.4Å; E223-K226 WeakPolarHBondContact O-CB 3.42Å; E223-K226 PolarHBondContact O-N 3.44Å; E223-E227 WeakPolarHBondContact O-CG 3.34Å; E223-E227 PolarHBondContact O-N 3Å
224A93.3Very high90.5Very high2 Ų257.9 Ų57.92%0.01730%0.301CS..Hα-helixtrans-54.7-43.3178.500000112V208 V211 V213 R220 A221 K226 E227 A228V208-A224 HydrophobicContact CB-CB 4.14Å; V208-A224 HydrophobicContact CG1-CB 4.27Å; V211-A224 HydrophobicContact CB-CB 4.16Å; V211-A224 HydrophobicContact CG1-CB 3.93Å; V213-A224 HydrophobicContact CG1-CB 4.02Å; R220-A224 PolarHBondContact O-N 3.32Å; A221-A224 PolarHBondContact O-N 3Å; A224-K226 VanDerWaalsContact C-N 3.28Å; A224-K226 PolarHBondContact O-N 2.87Å; A224-E227 PolarHBondContact O-N 2.77Å; A224-A228 WeakPolarHBondContact O-CB 3.44Å; A224-A228 PolarHBondContact O-N 2.83Å
225L92.8Very high90.8Very high18 Ų1858.6 Ų58.69%0.09430%0.302CS..Hα-helixtrans-68.1-20.4176-71.9169.4000114.4R158 L163 F165 I167 V208 A221 E223 V232 L234R158-L225 PolarHBondContact NH1-O 3.49Å; R158-L225 PolarHBondContact NH2-O 2.96Å; L163-L225 HydrophobicContact CD1-CD2 3.95Å; F165-L225 HydrophobicContact CE2-CD1 4.09Å; F165-L225 HydrophobicContact CE2-CD2 4.33Å; F165-L225 HydrophobicContact CZ-CD1 4.39Å; F165-L225 HydrophobicContact CZ-CD2 3.81Å; I167-L225 HydrophobicContact CD1-CD1 3.75Å; I167-L225 HydrophobicContact CG1-CD1 4.34Å; I167-L225 HydrophobicContact CG2-CD1 4.36Å; V208-L225 HydrophobicContact CG1-CD2 3.79Å; V208-L225 HydrophobicContact CG1-CG 4.28Å; V208-L225 HydrophobicContact CG2-CD2 3.93Å; V208-L225 HydrophobicContact CG2-CG 4.2Å; A221-L225 WeakPolarHBondContact O-CG 3.32Å; A221-L225 PolarHBondContact O-N 2.88Å; A221-L225 VanDerWaalsContact O-N 3.1Å; E223-L225 VanDerWaalsContact C-N 3.27Å; E223-L225 PolarHBondContact O-N 3.1Å; L225-V232 HydrophobicContact CD2-CG1 4.42Å; L225-L234 HydrophobicContact CD2-CD2 3.95Å
226K89.1Confident91.1Very high146 Ų14651.8 Ų51.864%0.63527%0.27SS*.Hα-helixtrans-83.8-45.7171.1-71.3164.3-177.2170.90111.2V222 E223 A224 A228V222-K226 HydrophobicContact CG1-CD 4.27Å; V222-K226 VanDerWaalsContact CG1-CE 3.5Å; V222-K226 WeakPolarHBondContact O-CD 3.23Å; V222-K226 VanDerWaalsContact O-CG 3.27Å; V222-K226 WeakPolarHBondContact O-CG 3.46Å; V222-K226 PolarHBondContact O-N 2.91Å; E223-K226 CarbonylContact O-C 3.39Å; E223-K226 WeakPolarHBondContact O-CA 3.4Å; E223-K226 WeakPolarHBondContact O-CB 3.42Å; E223-K226 PolarHBondContact O-N 3.44Å; A224-K226 VanDerWaalsContact C-N 3.28Å; A224-K226 PolarHBondContact O-N 2.87Å; K226-A228 PolarHBondContact O-N 2.87Å
227E90.6Very high91.1Very high131 Ų13152.9 Ų52.961%0.61227%0.271SS*.Hα-helixtrans-70.9-27.1-176.1-67.4179.5153.700112.9R220 E223 A224 G229R220-E227 IonicContact CZ-OE2 2.74Å; R220-E227 IonicContact NH1-OE2 3.07Å; R220-E227 PolarHBondContact NH1-OE2 3.21Å; R220-E227 IonicContact NH2-OE2 3.06Å; E223-E227 WeakPolarHBondContact O-CG 3.34Å; E223-E227 PolarHBondContact O-N 3Å; A224-E227 PolarHBondContact O-N 2.77Å; E227-G229 PolarHBondContact O-N 2.8Å
228A86.4Confident90.7Very high13 Ų1353.2 Ų53.211%0.10727%0.266CS..THydrogen-bonded Turntrans-60.6-1.5-178.400000116.7V208 N209 A224 K226 V231 V232V208-A228 HydrophobicContact CG1-CB 3.9Å; N209-A228 PolarHBondContact ND2-O 3.28Å; N209-A228 VanDerWaalsContact ND2-O 3.08Å; A224-A228 WeakPolarHBondContact O-CB 3.44Å; A224-A228 PolarHBondContact O-N 2.83Å; K226-A228 PolarHBondContact O-N 2.87Å; A228-V231 VanDerWaalsContact O-O 3.12Å; A228-V232 HydrophobicContact CB-CB 4.35Å; A228-V232 HydrophobicContact CB-CG1 3.95Å; A228-V232 HydrophobicContact CB-CG2 3.71Å
229G84.7Confident89.5Confident26 Ų2659.3 Ų59.327%0.26829%0.287SS..THydrogen-bonded Turntrans72.8-154.816800000114.9R158 E227R158-G229 VanDerWaalsContact CZ-O 3.24Å; R158-G229 PolarHBondContact NE-O 2.9Å; R158-G229 PolarHBondContact NH2-O 2.89Å; E227-G229 PolarHBondContact O-N 2.8Å
230P84.9Confident87.5Confident99 Ų9960.5 Ų60.564%0.64329%0.286SS*.THydrogen-bonded Turntrans-79.2-20-172.131.6-35.5000114.3E157 R158E157-P230 WeakPolarHBondContact CA-O 3.31Å; R158-P230 PolarHBondContact N-O 2.92Å
231V89.7Confident85.3Confident61 Ų6160.7 Ų60.737%0.3731%0.306SS..EExtended strand (participates in β ladder)trans-127.4122.5177.5-176.70000107.9I155 E157 A228I155-V231 HydrophobicContact CG2-CG1 3.58Å; E157-V231 HydrophobicContact CG-CG2 4.36Å; A228-V231 VanDerWaalsContact O-O 3.12Å
232V94.5Very high83.2Confident0 Ų063.8 Ų63.80%033%0.326CS..EExtended strand (participates in β ladder)trans-121.1119.4-172.3-175.80000109.5L156 L163 V208 N209 L225 A228 L234L156-V232 PolarHBondContact N-O 3.42Å; L156-V232 PolarHBondContact O-N 3.25Å; L163-V232 HydrophobicContact CD1-CB 4.3Å; L163-V232 HydrophobicContact CD1-CG1 4.23Å; L163-V232 HydrophobicContact CD1-CG2 4.08Å; L163-V232 HydrophobicContact CD2-CB 4Å; L163-V232 HydrophobicContact CD2-CG2 3.73Å; L163-V232 HydrophobicContact CG-CG2 4.49Å; V208-V232 HydrophobicContact CG1-CG1 3.89Å; N209-V232 WeakPolarHBondContact OD1-CA 3.17Å; L225-V232 HydrophobicContact CD2-CG1 4.42Å; A228-V232 HydrophobicContact CB-CB 4.35Å; A228-V232 HydrophobicContact CB-CG1 3.95Å; A228-V232 HydrophobicContact CB-CG2 3.71Å; V232-L234 HydrophobicContact CG1-CD2 3.82Å; V232-L234 HydrophobicContact CG1-CG 4.32Å
233R94.3Very high81.1Confident127 Ų12767.4 Ų67.448%0.47935%0.35SS..EExtended strand (participates in β ladder)trans-92.6128.7171.8-50.4-167.7-177174.42.6108.8I154 I155 V208 N209I154-R233 CarbonylContact O-C 3.48Å; I154-R233 WeakPolarHBondContact O-CA 3.47Å; I155-R233 HydrophobicContact CD1-CG 4.23Å; I155-R233 HydrophobicContact CG1-CB 4.49Å; I155-R233 HydrophobicContact CG1-CG 4.01Å; I155-R233 HydrophobicContact CG2-CG 4.3Å; V208-R233 WeakPolarHBondContact CA-O 3.38Å; N209-R233 PolarHBondContact N-O 3.15Å; N209-R233 PolarHBondContact OD1-N 2.81Å
234L95.6Very high79.7Confident0 Ų066.3 Ų66.30%035%0.345CS..EExtended strand (participates in β ladder)trans-117.3121.3177.7-58.4176.9000108.2E153 I154 L156 F165 L199 V205 R207 V208 L225 V232 V236E153-L234 WeakPolarHBondContact CA-O 3.39Å; I154-L234 PolarHBondContact N-O 2.8Å; I154-L234 PolarHBondContact O-N 2.94Å; L156-L234 HydrophobicContact CD1-CD1 3.95Å; F165-L234 HydrophobicContact CE1-CD1 3.79Å; F165-L234 HydrophobicContact CZ-CD1 3.74Å; L199-L234 HydrophobicContact CD1-CD1 4.11Å; L199-L234 HydrophobicContact CD2-CD1 4.11Å; V205-L234 HydrophobicContact CG1-CD2 4.22Å; R207-L234 WeakPolarHBondContact O-CA 3.4Å; V208-L234 HydrophobicContact CB-CD2 4.47Å; V208-L234 HydrophobicContact CG1-CD2 4.31Å; V208-L234 HydrophobicContact CG2-CD2 3.94Å; L225-L234 HydrophobicContact CD2-CD2 3.95Å; V232-L234 HydrophobicContact CG1-CD2 3.82Å; V232-L234 HydrophobicContact CG1-CG 4.32Å; L234-V236 HydrophobicContact CB-CG1 4.32Å
235L94Very high78.7Confident51 Ų5170 Ų7027%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-89.4119.4163-177.463.8000107.6L206 R207L206-L235 PolarHBondContact N-O 2.91Å; R207-L235 HydrophobicContact CB-CB 3.74Å; R207-L235 HydrophobicContact CB-CD2 4.42Å; R207-L235 PolarHBondContact N-O 2.91Å; R207-L235 PolarHBondContact O-N 2.83Å
236V92.6Very high78.2Confident0 Ų074.2 Ų74.20%039%0.389CS..EExtended strand (participates in β ladder)trans-118.8146.2179.2-61.60000111.8Y151 E152 I154 L199 D203 C204 V205 L234Y151-V236 WeakPolarHBondContact CA-O 3.44Å; E152-V236 HydrophobicContact CB-CG2 4.13Å; E152-V236 PolarHBondContact N-O 3.44Å; E152-V236 WeakPolarHBondContact O-CG2 3.17Å; E152-V236 PolarHBondContact O-N 2.85Å; I154-V236 HydrophobicContact CD1-CG2 3.88Å; L199-V236 HydrophobicContact CD1-CG1 3.91Å; D203-V236 HydrophobicContact CB-CB 4.22Å; D203-V236 HydrophobicContact CB-CG1 4.25Å; C204-V236 CarbonylContact O-C 3.57Å; C204-V236 VanDerWaalsContact O-CA 3.24Å; C204-V236 WeakPolarHBondContact O-CA 3.46Å; V205-V236 HydrophobicContact CG2-CG1 4.26Å; L234-V236 HydrophobicContact CB-CG1 4.32Å
237R88.9Confident78Confident50 Ų5070.1 Ų70.119%0.18937%0.374CS..EExtended strand (participates in β ladder)trans-104.2136.1162.864.6178174.3151.18.3110.1Y149 K150 Y151 D179 C204 L206Y149-R237 HydrophobicContact CD1-CB 4.49Å; K150-R237 WeakPolarHBondContact O-CA 3.35Å; Y151-R237 HydrophobicContact CD1-CB 3.86Å; Y151-R237 HydrophobicContact CE1-CB 3.72Å; D179-R237 VanDerWaalsContact CG-NH2 3.26Å; D179-R237 IonicContact OD1-NH2 2.68Å; D179-R237 PolarHBondContact OD1-NH2 2.66Å; D179-R237 IonicContact OD2-CZ 3.86Å; D179-R237 IonicContact OD2-NH1 3.16Å; D179-R237 IonicContact OD2-NH2 3.68Å; D179-R237 PolarHBondContact OD2-NH2 3.49Å; C204-R237 HydrophobicContact CB-CG 3.63Å; C204-R237 PolarHBondContact N-O 3.3Å; C204-R237 PolarHBondContact O-N 2.82Å; C204-R237 PolarHBondContact SG-NE 3.04Å; C204-R237 PolarHBondContact SG-NH2 2.93Å; L206-R237 HydrophobicContact CD1-CB 4.02Å; L206-R237 HydrophobicContact CD1-CG 4.04Å; L206-R237 HydrophobicContact CD2-CG 4.29Å; L206-R237 HydrophobicContact CG-CG 4.21Å
238R82.8Confident78Confident61 Ų6169.4 Ų69.423%0.2337%0.37CS..EExtended strand (participates in β ladder)trans-118.9148.9167.3-64.2-174.3-171.3114.225.7109.5Y149 K150 E152 R198 D203Y149-R238 CarbonylContact C-O 3.59Å; Y149-R238 WeakPolarHBondContact CA-O 3.29Å; Y149-R238 WeakPolarHBondContact CB-O 3.4Å; Y149-R238 WeakPolarHBondContact CD1-O 3.31Å; K150-R238 PolarHBondContact N-O 3.48Å; K150-R238 PolarHBondContact O-N 2.96Å; E152-R238 IonicContact OE1-NH1 2.62Å; E152-R238 IonicContact OE2-CZ 2.63Å; E152-R238 IonicContact OE2-NH1 2.72Å; E152-R238 PolarHBondContact OE2-NH1 3.1Å; R198-R238 PolarHBondContact O-NH2 2.95Å; D203-R238 VanDerWaalsContact CG-NE 3.27Å; D203-R238 WeakPolarHBondContact OD1-CD 3.25Å; D203-R238 WeakPolarHBondContact OD1-CG 3.39Å; D203-R238 IonicContact OD1-CZ 3.6Å; D203-R238 IonicContact OD1-NE 2.66Å; D203-R238 PolarHBondContact OD1-NE 3.35Å; D203-R238 IonicContact OD1-NH2 2.7Å; D203-R238 IonicContact OD2-CZ 3.04Å; D203-R238 IonicContact OD2-NE 2.85Å; D203-R238 PolarHBondContact OD2-NE 3.02Å; D203-R238 VanDerWaalsContact OD2-NE 3.14Å; D203-R238 IonicContact OD2-NH2 2.62Å; D203-R238 PolarHBondContact OD2-NH2 2.99Å
239R64.9Low78.2Confident184 Ų18468.8 Ų68.869%0.69437%0.365SS*.EExtended strand (participates in β ladder)trans-76.4130.4172-167.9175.2177.3-179.9-1110M148 Y149M148-R239 CarbonylContact O-C 3.58Å; M148-R239 WeakPolarHBondContact O-CA 3.24Å; M148-R239 WeakPolarHBondContact O-CG 3.41Å; Y149-R239 HydrophobicContact CD1-CB 4.22Å; Y149-R239 HydrophobicContact CE1-CB 3.99Å; Y149-R239 HydrophobicContact CE1-CG 4.28Å
240Q50.1Low78.5Confident89 Ų8971 Ų7142%0.41637%0.371SS..PPolyproline II helixtrans-82.2143.1170.2-65.2-165.662.100109.7M148 Y149 K150M148-Q240 PolarHBondContact O-N 2.82Å; Y149-Q240 PolarHBondContact O-NE2 2.89Å; K150-Q240 HydrophobicContact CB-CG 3.8Å
241A46Very low78.7Confident90 Ų9066.4 Ų66.474%0.74434%0.341SS*.PPolyproline II helixtrans-73.8136.3169.300000109.4
242P47.5Very low78.7Confident66 Ų6668.8 Ų68.843%0.42935%0.351SS..PPolyproline II helixtrans-65.7153.3178.328.7-35.2000111.4E244P242-E244 PolarHBondContact O-N 3.18Å
243P47.8Very low78.3Confident119 Ų11971.2 Ų71.277%0.77336%0.362SS*.PPolyproline II helixtrans-64.8118.3-179.926.1-34000111.4
244E63.7Low77.7Confident59 Ų5966.6 Ų66.628%0.27635%0.353SS..PPolyproline II helixtrans-84.7150177.5-62.5175.7143.900111.7P242 R299 A332 K333P242-E244 PolarHBondContact O-N 3.18Å; E244-R299 VanDerWaalsContact CD-NE 3.29Å; E244-R299 WeakPolarHBondContact OE1-CD 3.4Å; E244-R299 IonicContact OE1-CZ 3.73Å; E244-R299 IonicContact OE1-NE 3.41Å; E244-R299 PolarHBondContact OE1-NE 3.13Å; E244-R299 IonicContact OE1-NH2 3.3Å; E244-R299 IonicContact OE2-CZ 2.8Å; E244-R299 IonicContact OE2-NE 2.65Å; E244-R299 PolarHBondContact OE2-NE 3.34Å; E244-R299 IonicContact OE2-NH2 3.24Å; E244-R299 PolarHBondContact OE2-NH2 3.4Å; E244-A332 HydrophobicContact CB-CB 3.82Å; E244-A332 HydrophobicContact CG-CB 4.23Å; E244-A332 WeakPolarHBondContact OE2-CB 3.44Å; E244-K333 WeakPolarHBondContact CA-O 3.34Å; E244-K333 WeakPolarHBondContact CB-O 3.16Å
245T71.1Confident76.7Confident81 Ų8173.5 Ų73.550%0.49740%0.398SS..EExtended strand (participates in β ladder)trans-100.9125.6173.348.80000110.3K333T245-K333 PolarHBondContact N-O 2.83Å; T245-K333 PolarHBondContact O-N 3.23Å
246I83.2Confident75.8Confident106 Ų10679 Ų7954%0.54442%0.42SS..EExtended strand (participates in β ladder)trans-89.6129-174.6-57.9176.1000110.4L301 K330 V331I246-L301 HydrophobicContact CD1-CD1 3.97Å; I246-L301 HydrophobicContact CG1-CD1 3.98Å; I246-L301 HydrophobicContact CG2-CD1 4.23Å; I246-K330 HydrophobicContact CG2-CD 4.34Å; I246-K330 HydrophobicContact CG2-CG 3.79Å; I246-V331 CarbonylContact C-O 3.59Å; I246-V331 WeakPolarHBondContact CA-O 3.29Å
247L84.9Confident75.5Confident59 Ų5980.3 Ų80.331%0.30943%0.434SS..EExtended strand (participates in β ladder)trans-121.7142-179.3-174.367.1000109.9V249 R293 V331L247-V249 HydrophobicContact CD2-CG2 3.77Å; L247-V249 HydrophobicContact CG-CG2 3.82Å; L247-R293 HydrophobicContact CD2-CB 4.23Å; L247-V331 PolarHBondContact N-O 2.87Å; L247-V331 PolarHBondContact O-N 3.44Å
248E89.8Confident75.5Confident116 Ų11678.8 Ų78.854%0.54243%0.429SS..EExtended strand (participates in β ladder)trans-113125.1174.1-67.9-178.5174.300109.9R293 L329 K330E248-R293 PolarHBondContact O-NH1 2.9Å; E248-L329 WeakPolarHBondContact CA-O 3.49Å; E248-K330 HydrophobicContact CG-CD 4.36Å; E248-K330 HydrophobicContact CG-CG 4.1Å; E248-K330 WeakPolarHBondContact OE1-CD 3.26Å; E248-K330 WeakPolarHBondContact OE1-CE 3.41Å; E248-K330 IonicContact OE1-NZ 2.65Å; E248-K330 PolarHBondContact OE1-NZ 2.93Å
249V91.3Very high75.9Confident0 Ų076 Ų760%042%0.419CS..EExtended strand (participates in β ladder)trans-129127.4-168.8-179.20000109.5L247 L251 R293 L294 L329L247-V249 HydrophobicContact CD2-CG2 3.77Å; L247-V249 HydrophobicContact CG-CG2 3.82Å; V249-L251 HydrophobicContact CG1-CD2 3.93Å; V249-L251 HydrophobicContact CG1-CG 4.07Å; V249-R293 HydrophobicContact CG1-CB 4.46Å; V249-R293 HydrophobicContact CG2-CB 4.1Å; V249-L294 HydrophobicContact CB-CD2 4.14Å; V249-L294 HydrophobicContact CG1-CD2 4.1Å; V249-L294 HydrophobicContact CG1-CG 4.14Å; V249-L294 HydrophobicContact CG2-CD2 3.85Å; V249-L329 HydrophobicContact CB-CB 4.47Å; V249-L329 PolarHBondContact N-O 2.99Å; V249-L329 WeakPolarHBondContact O-CB 3.49Å; V249-L329 PolarHBondContact O-N 2.99Å
250N90.7Very high77.2Confident72 Ų7268.3 Ų68.339%0.38539%0.391SS..EExtended strand (participates in β ladder)trans-113.7115.3-177.5-58.4-16.3000108.4M326 V327 Y328N250-M326 HydrophobicContact CB-SD 4.29Å; N250-V327 CarbonylContact C-O 3.52Å; N250-V327 WeakPolarHBondContact CA-O 3.07Å; N250-Y328 HydrophobicContact CB-CD1 4.46Å; N250-Y328 VanDerWaalsContact CG-CD1 3.46Å; N250-Y328 WeakPolarHBondContact OD1-CD1 2.94Å
251L90.1Very high79.1Confident3 Ų366.2 Ų66.22%0.01639%0.386CS..EExtended strand (participates in β ladder)trans-115.3132-176.2-64.4-174.5000111.6V249 L258 F260 A288 D291 L294 V327 L329V249-L251 HydrophobicContact CG1-CD2 3.93Å; V249-L251 HydrophobicContact CG1-CG 4.07Å; L251-L258 HydrophobicContact CB-CD2 3.84Å; L251-L258 HydrophobicContact CD1-CD2 4.25Å; L251-F260 HydrophobicContact CD1-CD1 4.4Å; L251-F260 HydrophobicContact CD1-CE1 4.05Å; L251-A288 HydrophobicContact CD1-CB 3.92Å; L251-D291 HydrophobicContact CD2-CB 3.36Å; L251-D291 VanDerWaalsContact CD2-CG 3.48Å; L251-L294 HydrophobicContact CD1-CD1 3.77Å; L251-V327 PolarHBondContact N-O 2.96Å; L251-V327 PolarHBondContact O-N 2.96Å; L251-L329 HydrophobicContact CD1-CD1 3.86Å; L251-L329 HydrophobicContact CG-CD1 4.28Å
252L88.3Confident81.4Confident111 Ų11163.1 Ų63.158%0.58136%0.357SS*.EExtended strand (participates in β ladder)trans-81.1130.4163.2-166.578.4000109.4G254 A287 D325 M326L252-G254 PolarHBondContact O-N 2.74Å; L252-A287 WeakPolarHBondContact O-CB 3.36Å; L252-D325 CarbonylContact C-O 3.49Å; L252-D325 VanDerWaalsContact CA-O 3.31Å; L252-D325 WeakPolarHBondContact CA-O 3.14Å; L252-D325 HydrophobicContact CD1-CB 4.33Å; L252-D325 WeakPolarHBondContact CD1-O 3.4Å; L252-M326 HydrophobicContact CB-CE 4.32Å; L252-M326 HydrophobicContact CD1-CE 3.92Å
253K88Confident83Confident52 Ų5261 Ų6123%0.22634%0.344CS..  trans-63.3126.6175.4-70.3-176179.1-1800110.4L258 K321 T323 S324 D325 V327K253-L258 HydrophobicContact CG-CD2 3.84Å; K253-L258 HydrophobicContact CG-CG 4.25Å; K253-K321 PolarHBondContact NZ-O 3.03Å; K253-T323 WeakPolarHBondContact CE-OG1 3.29Å; K253-T323 PolarHBondContact NZ-O 2.75Å; K253-T323 PolarHBondContact NZ-OG1 3.38Å; K253-S324 WeakPolarHBondContact CD-O 3.48Å; K253-S324 WeakPolarHBondContact CE-O 3.18Å; K253-S324 PolarHBondContact NZ-O 3.36Å; K253-D325 PolarHBondContact N-O 3.27Å; K253-V327 HydrophobicContact CD-CG2 4.43Å; K253-V327 VanDerWaalsContact CE-CG2 3.49Å; K253-V327 HydrophobicContact CG-CG2 4.19Å
254G81.8Confident84.9Confident29 Ų2955.3 Ų55.330%0.29931%0.307SS..BIsolated β-bridgetrans-85-178.8169.300000112.4L252 K256 G257L252-G254 PolarHBondContact O-N 2.74Å; G254-K256 PolarHBondContact O-N 3.08Å; G254-G257 PolarHBondContact N-O 3.29Å; G254-G257 WeakPolarHBondContact O-CA 3.41Å; G254-G257 PolarHBondContact O-N 3.23Å
255P74.4Confident85.8Confident146 Ų14652.5 Ų52.595%0.94829%0.294SS*.THydrogen-bonded Turntrans-64.6-8.3177.127.6-36.1000114.3
256K73.9Confident85.9Confident166 Ų16652.3 Ų52.372%0.72229%0.289SS*.THydrogen-bonded Turntrans-115.226.4170.6-60.7-175.9-178.7178.40112G254G254-K256 PolarHBondContact O-N 3.08Å
257G86.9Confident85.2Confident28 Ų2851.1 Ų51.129%0.28930%0.303SS..BIsolated β-bridgetrans70.5-145.1-174.300000113G254 G259G254-G257 PolarHBondContact N-O 3.29Å; G254-G257 WeakPolarHBondContact O-CA 3.41Å; G254-G257 PolarHBondContact O-N 3.23Å; G257-G259 VanDerWaalsContact C-N 3.3Å; G257-G259 PolarHBondContact O-N 2.94Å
258L89.1Confident84.8Confident17 Ų1752.4 Ų52.49%0.08931%0.311CS..THydrogen-bonded Turntrans-73.5-15.2-174.2-66171.3000114.5L251 K253 F260 A288 L320 V327L251-L258 HydrophobicContact CB-CD2 3.84Å; L251-L258 HydrophobicContact CD1-CD2 4.25Å; K253-L258 HydrophobicContact CG-CD2 3.84Å; K253-L258 HydrophobicContact CG-CG 4.25Å; L258-F260 HydrophobicContact CB-CD1 3.85Å; L258-F260 HydrophobicContact CB-CE1 3.57Å; L258-F260 HydrophobicContact CB-CZ 4.39Å; L258-F260 HydrophobicContact CD1-CE1 3.96Å; L258-F260 HydrophobicContact CD1-CZ 4.09Å; L258-F260 HydrophobicContact CG-CE1 4.33Å; L258-A288 WeakPolarHBondContact O-CB 3.39Å; L258-A288 PolarHBondContact O-N 2.71Å; L258-L320 HydrophobicContact CD1-CD2 3.87Å; L258-V327 HydrophobicContact CD1-CB 4.42Å; L258-V327 HydrophobicContact CD1-CG1 4.27Å; L258-V327 HydrophobicContact CD1-CG2 4.29Å; L258-V327 HydrophobicContact CD2-CB 3.91Å; L258-V327 HydrophobicContact CD2-CG2 3.75Å; L258-V327 HydrophobicContact CG-CG2 4.47Å
259G89.7Confident84.1Confident2 Ų251.1 Ų51.12%0.02131%0.305CS..SBendtrans75.329.1175.600000115.1G257 I283G257-G259 VanDerWaalsContact C-N 3.3Å; G257-G259 PolarHBondContact O-N 2.94Å; G259-I283 WeakPolarHBondContact O-CB 3.33Å; G259-I283 PolarHBondContact O-N 2.7Å
260F92.8Very high83.3Confident23 Ų2355.6 Ų55.610%0.10133%0.325CS..EExtended strand (participates in β ladder)trans-143.4160168.665.5-94000111.9L251 L258 I262 I279 K281 I282 A288 L294 L300 L320 L329L251-F260 HydrophobicContact CD1-CD1 4.4Å; L251-F260 HydrophobicContact CD1-CE1 4.05Å; L258-F260 HydrophobicContact CB-CD1 3.85Å; L258-F260 HydrophobicContact CB-CE1 3.57Å; L258-F260 HydrophobicContact CB-CZ 4.39Å; L258-F260 HydrophobicContact CD1-CE1 3.96Å; L258-F260 HydrophobicContact CD1-CZ 4.09Å; L258-F260 HydrophobicContact CG-CE1 4.33Å; F260-I262 HydrophobicContact CD2-CG2 3.85Å; F260-I262 HydrophobicContact CE2-CG2 3.66Å; F260-I279 HydrophobicContact CB-CG2 4.08Å; F260-I279 HydrophobicContact CD2-CD1 4.06Å; F260-I279 HydrophobicContact CD2-CG1 4.04Å; F260-I279 HydrophobicContact CD2-CG2 4.29Å; F260-I279 HydrophobicContact CE2-CD1 4.24Å; F260-I279 HydrophobicContact CE2-CG1 4.29Å; F260-I279 HydrophobicContact CG-CD1 4.39Å; F260-I279 HydrophobicContact CG-CG2 4.48Å; F260-K281 CarbonylContact C-O 3.46Å; F260-K281 WeakPolarHBondContact CA-O 3.47Å; F260-K281 WeakPolarHBondContact CB-O 3.38Å; F260-I282 HydrophobicContact CB-CD1 3.94Å; F260-A288 HydrophobicContact CB-CB 4.31Å; F260-A288 HydrophobicContact CD1-CB 3.83Å; F260-L294 HydrophobicContact CD1-CD1 3.91Å; F260-L294 HydrophobicContact CE1-CD1 3.84Å; F260-L300 HydrophobicContact CE2-CD1 3.74Å; F260-L300 HydrophobicContact CZ-CD1 4.35Å; F260-L320 HydrophobicContact CE2-CD1 4.19Å; F260-L320 HydrophobicContact CE2-CD2 4.31Å; F260-L320 HydrophobicContact CZ-CD2 3.88Å; F260-L329 HydrophobicContact CE1-CD1 3.77Å; F260-L329 HydrophobicContact CZ-CD1 3.88Å
261S90.5Very high82.5Confident45 Ų4556 Ų5632%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-109150175.2-60.10000110.7I279 T280 K281S261-I279 WeakPolarHBondContact O-CA 3.29Å; S261-T280 PolarHBondContact O-N 2.9Å; S261-T280 PolarHBondContact O-OG1 3.4Å; S261-K281 PolarHBondContact N-O 2.68Å
262I92.9Very high80.4Confident26 Ų2661 Ų6113%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-123.6154.8176.162.3156.8000112.9F260 I277 Y278 L300 A316 V317 L320F260-I262 HydrophobicContact CD2-CG2 3.85Å; F260-I262 HydrophobicContact CE2-CG2 3.66Å; I262-I277 HydrophobicContact CB-CG2 3.98Å; I262-I277 HydrophobicContact CD1-CG2 3.68Å; I262-I277 HydrophobicContact CG1-CG2 4.44Å; I262-I277 HydrophobicContact CG2-CG2 4.21Å; I262-Y278 CarbonylContact C-O 3.1Å; I262-Y278 WeakPolarHBondContact CA-O 3.39Å; I262-L300 HydrophobicContact CG2-CD1 3.47Å; I262-L300 VanDerWaalsContact CG2-CD1 3.47Å; I262-A316 HydrophobicContact CD1-CB 3.97Å; I262-V317 HydrophobicContact CD1-CG2 3.96Å; I262-V317 HydrophobicContact CG1-CG2 4.37Å; I262-L320 HydrophobicContact CD1-CD1 3.65Å; I262-L320 HydrophobicContact CG1-CD1 4.11Å; I262-L320 HydrophobicContact CG2-CD1 4Å
263A83Confident79.2Confident20 Ų2058.5 Ų58.517%0.16536%0.36CS..EExtended strand (participates in β ladder)trans-136.1175.9165.100000110.1H270 I277 Y278 T280A263-H270 HydrophobicContact CB-CB 3.93Å; A263-I277 WeakPolarHBondContact O-CA 3.42Å; A263-Y278 PolarHBondContact N-O 2.99Å; A263-Y278 PolarHBondContact O-N 3.17Å; A263-T280 HydrophobicContact CB-CG2 3.43Å; A263-T280 VanDerWaalsContact CB-CG2 3.43Å
264G87.1Confident78.6Confident0 Ų057.9 Ų57.90%036%0.359CS..EExtended strand (participates in β ladder)trans94.8-179.5-177.400000113.5N268 S276 H313G264-N268 CarbonylContact C-O 3.58Å; G264-N268 WeakPolarHBondContact CA-O 3.28Å; G264-N268 PolarHBondContact N-O 3.27Å; G264-S276 WeakPolarHBondContact CA-O 3.46Å; G264-H313 VanDerWaalsContact O-CB 3.31Å; G264-H313 WeakPolarHBondContact O-CB 2.99Å; G264-H313 PolarHBondContact O-ND1 2.93Å
265G83.1Confident78.6Confident0 Ų058.4 Ų58.40%036%0.355CS..  trans110.9157.6-173.200000113.1G267 N268 Q269 N275 V311G265-G267 PolarHBondContact O-N 2.73Å; G265-N268 CarbonylContact O-C 3.48Å; G265-N268 VanDerWaalsContact O-C 3.24Å; G265-N268 PolarHBondContact O-N 2.84Å; G265-Q269 PolarHBondContact O-N 3.25Å; G265-N275 CarbonylContact C-O 3.59Å; G265-N275 WeakPolarHBondContact CA-O 3.39Å; G265-N275 PolarHBondContact N-O 3.4Å; G265-V311 CarbonylContact C-O 3.49Å; G265-V311 WeakPolarHBondContact CA-O 3.08Å
266I73.3Confident79.2Confident77 Ų7752 Ų5240%0.39531%0.314SS..BIsolated β-bridgetrans-53.6126.8176.1-67.8-171000110.3N268 N275 D310 V311I266-N268 VanDerWaalsContact C-N 3.25Å; I266-N268 PolarHBondContact O-N 3.19Å; I266-N275 HydrophobicContact CG1-CB 3.97Å; I266-D310 HydrophobicContact CD1-CB 4.19Å; I266-D310 WeakPolarHBondContact CD1-O 3.26Å; I266-V311 PolarHBondContact N-O 2.96Å
267G68.1Low80Confident81 Ų8144.1 Ų44.184%0.83528%0.28SS*.THydrogen-bonded Turntrans77.50.5-179.300000115.4G265G265-G267 PolarHBondContact O-N 2.73Å
268N75.5Confident80.2Confident87 Ų8744 Ų4447%0.46527%0.271SS..SBendtrans-146.350.5177.4-168.743.6000110.5G264 G265 I266 H313G264-N268 CarbonylContact C-O 3.58Å; G264-N268 WeakPolarHBondContact CA-O 3.28Å; G264-N268 PolarHBondContact N-O 3.27Å; G265-N268 CarbonylContact O-C 3.48Å; G265-N268 VanDerWaalsContact O-C 3.24Å; G265-N268 PolarHBondContact O-N 2.84Å; I266-N268 VanDerWaalsContact C-N 3.25Å; I266-N268 PolarHBondContact O-N 3.19Å; N268-H313 HydrophobicContact CB-CB 4Å; N268-H313 PolarHBondContact ND2-ND1 3.34Å
269Q75.6Confident80.4Confident88 Ų8843.2 Ų43.241%0.41127%0.267SS..  trans-60.3135.9-175.3-62.6-174.9-30.800111.4G265 D274 N275G265-Q269 PolarHBondContact O-N 3.25Å; Q269-D274 WeakPolarHBondContact CB-O 3.42Å; Q269-D274 VanDerWaalsContact CG-O 3.26Å; Q269-D274 WeakPolarHBondContact CG-O 3.35Å; Q269-N275 PolarHBondContact NE2-OD1 2.96Å
270H75.1Confident80.2Confident94 Ų9445.7 Ų45.744%0.43528%0.282SS..SBendtrans-86.6-36.2174.6-177.636.1000111.9A263 Y278A263-H270 HydrophobicContact CB-CB 3.93Å; H270-Y278 HydrophobicContact CB-CD2 4.26Å
271I72.6Confident80Confident80 Ų8050.9 Ų50.941%0.4130%0.304SS..BIsolated β-bridgetrans-112.4125.1173.2-59.2178.3000106.4G273 D274 Y278I271-G273 PolarHBondContact O-N 2.92Å; I271-D274 HydrophobicContact CB-CB 4.23Å; I271-D274 PolarHBondContact O-N 3.46Å; I271-Y278 HydrophobicContact CD1-CD2 4.45Å; I271-Y278 HydrophobicContact CD1-CE1 4.18Å; I271-Y278 HydrophobicContact CD1-CE2 3.78Å; I271-Y278 HydrophobicContact CG1-CE2 4.2Å
272P47.6Very low80Confident110 Ų11050.5 Ų50.571%0.71430%0.298SS*.THydrogen-bonded Turntrans-56.4124.7-177.4-27.435.5000112.6
273G62.3Low79.8Confident57 Ų5752 Ų5259%0.58831%0.306SS*.THydrogen-bonded Turntrans92.2-11.2-176.100000115.2I271I271-G273 PolarHBondContact O-N 2.92Å
274D74.9Confident79.8Confident40 Ų4058.9 Ų58.921%0.21434%0.335CS..BIsolated β-bridgetrans-111.8125.7-179.7-177.312.8000112.3Q269 I271 S276 Y278Q269-D274 WeakPolarHBondContact CB-O 3.42Å; Q269-D274 VanDerWaalsContact CG-O 3.26Å; Q269-D274 WeakPolarHBondContact CG-O 3.35Å; I271-D274 HydrophobicContact CB-CB 4.23Å; I271-D274 PolarHBondContact O-N 3.46Å; D274-S276 VanDerWaalsContact C-N 3.35Å; D274-S276 WeakPolarHBondContact OD1-CB 3.39Å; D274-S276 PolarHBondContact OD1-N 3.22Å; D274-S276 PolarHBondContact OD1-OG 3.08Å; D274-S276 WeakPolarHBondContact OD2-CB 3.5Å; D274-S276 PolarHBondContact OD2-OG 2.96Å; D274-Y278 VanDerWaalsContact OD2-CE2 3.25Å; D274-Y278 WeakPolarHBondContact OD2-CE2 3.4Å; D274-Y278 PolarHBondContact OD2-OH 3.12Å
275N81.1Confident79.6Confident39 Ų3961.2 Ų61.221%0.20936%0.358CS..  trans-84.4-5.4177.6-62.4-33.9000113.6G265 I266 Q269 D310G265-N275 CarbonylContact C-O 3.59Å; G265-N275 WeakPolarHBondContact CA-O 3.39Å; G265-N275 PolarHBondContact N-O 3.4Å; I266-N275 HydrophobicContact CG1-CB 3.97Å; Q269-N275 PolarHBondContact NE2-OD1 2.96Å; N275-D310 WeakPolarHBondContact CB-OD1 3.43Å; N275-D310 PolarHBondContact ND2-OD1 2.98Å
276S87Confident79.8Confident12 Ų1261.5 Ų61.58%0.08436%0.362CS..  trans-61.9153.7-174.3-56.30000113.6G264 D274 R299G264-S276 WeakPolarHBondContact CA-O 3.46Å; D274-S276 VanDerWaalsContact C-N 3.35Å; D274-S276 WeakPolarHBondContact OD1-CB 3.39Å; D274-S276 PolarHBondContact OD1-N 3.22Å; D274-S276 PolarHBondContact OD1-OG 3.08Å; D274-S276 WeakPolarHBondContact OD2-CB 3.5Å; D274-S276 PolarHBondContact OD2-OG 2.96Å; S276-R299 PolarHBondContact OG-NH1 3.3Å
277I91.6Very high80.6Confident0 Ų058.6 Ų58.60%035%0.349CS..EExtended strand (participates in β ladder)trans-89.2131.4174.3-52.1-57.6000109.7I262 A263 R299 L300 L308 V311 A316I262-I277 HydrophobicContact CB-CG2 3.98Å; I262-I277 HydrophobicContact CD1-CG2 3.68Å; I262-I277 HydrophobicContact CG1-CG2 4.44Å; I262-I277 HydrophobicContact CG2-CG2 4.21Å; A263-I277 WeakPolarHBondContact O-CA 3.42Å; I277-R299 CarbonylContact O-C 3.57Å; I277-R299 WeakPolarHBondContact O-CA 3.28Å; I277-L300 HydrophobicContact CB-CB 4.15Å; I277-L300 HydrophobicContact CG2-CB 4.05Å; I277-L300 HydrophobicContact CG2-CD1 4.2Å; I277-L300 PolarHBondContact O-N 3.06Å; I277-L308 HydrophobicContact CG1-CB 4.08Å; I277-L308 HydrophobicContact CG1-CD1 4.38Å; I277-V311 HydrophobicContact CD1-CG2 4.07Å; I277-V311 HydrophobicContact CG1-CG2 4.07Å; I277-A316 HydrophobicContact CD1-CB 3.61Å; I277-A316 HydrophobicContact CG1-CB 3.76Å; I277-A316 HydrophobicContact CG2-CB 4.35Å
278Y91.9Very high81.7Confident25 Ų2554.8 Ų54.810%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-126.1145.7-178.6-72.4-83.4000112.4I262 A263 H270 I271 D274 T280 D298 R299I262-Y278 CarbonylContact C-O 3.1Å; I262-Y278 WeakPolarHBondContact CA-O 3.39Å; A263-Y278 PolarHBondContact N-O 2.99Å; A263-Y278 PolarHBondContact O-N 3.17Å; H270-Y278 HydrophobicContact CB-CD2 4.26Å; I271-Y278 HydrophobicContact CD1-CD2 4.45Å; I271-Y278 HydrophobicContact CD1-CE1 4.18Å; I271-Y278 HydrophobicContact CD1-CE2 3.78Å; I271-Y278 HydrophobicContact CG1-CE2 4.2Å; D274-Y278 VanDerWaalsContact OD2-CE2 3.25Å; D274-Y278 WeakPolarHBondContact OD2-CE2 3.4Å; D274-Y278 PolarHBondContact OD2-OH 3.12Å; Y278-T280 PolarHBondContact O-N 3.43Å; Y278-D298 CarbonylContact C-O 3.59Å; Y278-D298 WeakPolarHBondContact CA-O 3.48Å; Y278-R299 HydrophobicContact CD1-CB 3.96Å; Y278-R299 HydrophobicContact CD1-CG 4.11Å; Y278-R299 HydrophobicContact CE1-CB 3.68Å; Y278-R299 HydrophobicContact CE1-CG 3.66Å; Y278-R299 HydrophobicContact CE2-CG 4.48Å; Y278-R299 VanDerWaalsContact OH-CD 3.24Å; Y278-R299 WeakPolarHBondContact OH-CD 3.43Å
279I92.3Very high82.3Confident1 Ų155 Ų551%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-80113.9170.6-59.8-174.4000109.3F260 S261 I282 L294 Q295 T296 G297 D298 L300F260-I279 HydrophobicContact CB-CG2 4.08Å; F260-I279 HydrophobicContact CD2-CD1 4.06Å; F260-I279 HydrophobicContact CD2-CG1 4.04Å; F260-I279 HydrophobicContact CD2-CG2 4.29Å; F260-I279 HydrophobicContact CE2-CD1 4.24Å; F260-I279 HydrophobicContact CE2-CG1 4.29Å; F260-I279 HydrophobicContact CG-CD1 4.39Å; F260-I279 HydrophobicContact CG-CG2 4.48Å; S261-I279 WeakPolarHBondContact O-CA 3.29Å; I279-I282 HydrophobicContact CG2-CD1 3.8Å; I279-L294 HydrophobicContact CD1-CB 4.22Å; I279-L294 HydrophobicContact CD1-CD1 3.91Å; I279-L294 HydrophobicContact CD1-CD2 4.24Å; I279-L294 HydrophobicContact CD1-CG 4.36Å; I279-Q295 WeakPolarHBondContact CG2-O 3.27Å; I279-T296 WeakPolarHBondContact O-CA 3.47Å; I279-G297 PolarHBondContact O-N 3.38Å; I279-D298 HydrophobicContact CB-CB 4.17Å; I279-D298 HydrophobicContact CD1-CB 3.94Å; I279-D298 HydrophobicContact CG1-CB 4.14Å; I279-D298 PolarHBondContact N-O 3.34Å; I279-L300 HydrophobicContact CD1-CD1 4.12Å; I279-L300 HydrophobicContact CD1-CG 4.3Å; I279-L300 HydrophobicContact CG1-CD1 3.62Å; I279-L300 HydrophobicContact CG1-CG 4.07Å
280T86.9Confident82.8Confident55 Ų5558.9 Ų58.934%0.33732%0.323SS..EExtended strand (participates in β ladder)trans-96.4-22.3-17751.30000114S261 A263 Y278 T296S261-T280 PolarHBondContact O-N 2.9Å; S261-T280 PolarHBondContact O-OG1 3.4Å; A263-T280 HydrophobicContact CB-CG2 3.43Å; A263-T280 VanDerWaalsContact CB-CG2 3.43Å; Y278-T280 PolarHBondContact O-N 3.43Å; T280-T296 WeakPolarHBondContact O-CG2 3.28Å
281K87.1Confident83.5Confident132 Ų13256.8 Ų56.857%0.57432%0.315SS*.EExtended strand (participates in β ladder)trans-153.3135.4179.4-168.5164-175.4167.70111.4F260 S261F260-K281 CarbonylContact C-O 3.46Å; F260-K281 WeakPolarHBondContact CA-O 3.47Å; F260-K281 WeakPolarHBondContact CB-O 3.38Å; S261-K281 PolarHBondContact N-O 2.68Å
282I90.5Very high84.1Confident37 Ų3755.3 Ų55.319%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-91.8136162.6-56.3-58.9000107.9F260 I279 A288 Q289 L294 T296F260-I282 HydrophobicContact CB-CD1 3.94Å; I279-I282 HydrophobicContact CG2-CD1 3.8Å; I282-A288 HydrophobicContact CD1-CB 4.36Å; I282-Q289 HydrophobicContact CG2-CB 3.63Å; I282-Q289 HydrophobicContact CG2-CG 3.97Å; I282-L294 HydrophobicContact CD1-CB 3.96Å; I282-T296 HydrophobicContact CG1-CG2 4.45Å
283I88.8Confident86Confident58 Ų5854.7 Ų54.730%0.29730%0.303SS..PPolyproline II helixtrans-94.6126.8-175.9-58.1176.9000109.5G259 G285 G286G259-I283 WeakPolarHBondContact O-CB 3.33Å; G259-I283 PolarHBondContact O-N 2.7Å; I283-G285 PolarHBondContact O-N 2.88Å; I283-G286 WeakPolarHBondContact O-CA 3.38Å; I283-G286 PolarHBondContact O-N 3Å
284E83.4Confident87.4Confident164 Ų16452.2 Ų52.277%0.76628%0.277SS*.THydrogen-bonded Turntrans-62133.4-179.8-166.5170.8-163.100112.5G286E284-G286 PolarHBondContact O-N 3.16Å
285G83Confident88Confident48 Ų4855.7 Ų55.750%0.49529%0.291SS..THydrogen-bonded Turntrans70.7-1.4-170.400000115.1I283 K290I283-G285 PolarHBondContact O-N 2.88Å; G285-K290 VanDerWaalsContact O-CE 3.31Å; G285-K290 WeakPolarHBondContact O-CE 3.36Å
286G87.4Confident88.3Confident7 Ų758.2 Ų58.27%0.07231%0.308CS..SBendtrans-75.5165.8-179.500000114.1I283 E284 A288 Q289 K290I283-G286 WeakPolarHBondContact O-CA 3.38Å; I283-G286 PolarHBondContact O-N 3Å; E284-G286 PolarHBondContact O-N 3.16Å; G286-A288 PolarHBondContact O-N 3.21Å; G286-Q289 PolarHBondContact O-N 3.07Å; G286-K290 WeakPolarHBondContact O-CG 3.48Å; G286-K290 PolarHBondContact O-N 3.3Å; G286-K290 VanDerWaalsContact O-N 3.12Å
287A89.6Confident88Confident16 Ų1659.4 Ų59.413%0.13232%0.323CS..Hα-helixtrans-61.6-46-175.800000112.9L252 Q289 K290 D291L252-A287 WeakPolarHBondContact O-CB 3.36Å; A287-Q289 VanDerWaalsContact C-N 3.33Å; A287-Q289 PolarHBondContact O-N 3.06Å; A287-K290 PolarHBondContact O-N 3.17Å; A287-K290 VanDerWaalsContact O-N 3.15Å; A287-D291 PolarHBondContact O-N 3.23Å
288A91Very high87.9Confident0 Ų059.6 Ų59.60%032%0.324CS..Hα-helixtrans-61.6-34.7176.100000114L251 L258 F260 I282 G286 G292 L294L251-A288 HydrophobicContact CD1-CB 3.92Å; L258-A288 WeakPolarHBondContact O-CB 3.39Å; L258-A288 PolarHBondContact O-N 2.71Å; F260-A288 HydrophobicContact CB-CB 4.31Å; F260-A288 HydrophobicContact CD1-CB 3.83Å; I282-A288 HydrophobicContact CD1-CB 4.36Å; G286-A288 PolarHBondContact O-N 3.21Å; A288-G292 PolarHBondContact O-N 3.07Å; A288-L294 HydrophobicContact CB-CB 4.31Å; A288-L294 HydrophobicContact CB-CD1 3.99Å
289Q88.5Confident87.9Confident91 Ų9161.4 Ų61.443%0.42533%0.33SS..Hα-helixtrans-69-36.8174.7-158.3-162.126.500111.6I282 G286 A287 G292I282-Q289 HydrophobicContact CG2-CB 3.63Å; I282-Q289 HydrophobicContact CG2-CG 3.97Å; G286-Q289 PolarHBondContact O-N 3.07Å; A287-Q289 VanDerWaalsContact C-N 3.33Å; A287-Q289 PolarHBondContact O-N 3.06Å; Q289-G292 PolarHBondContact O-N 3.24Å
290K87.1Confident87.8Confident170 Ų17061.5 Ų61.574%0.73933%0.331SS*.Hα-helixtrans-71.8-29.3177.8-70.3179.6178.4-176.90113.3G285 G286 A287G285-K290 VanDerWaalsContact O-CE 3.31Å; G285-K290 WeakPolarHBondContact O-CE 3.36Å; G286-K290 WeakPolarHBondContact O-CG 3.48Å; G286-K290 PolarHBondContact O-N 3.3Å; G286-K290 VanDerWaalsContact O-N 3.12Å; A287-K290 PolarHBondContact O-N 3.17Å; A287-K290 VanDerWaalsContact O-N 3.15Å
291D88.8Confident88Confident51 Ų5160.8 Ų60.827%0.27333%0.325SS..Hα-helixtrans-78.1-33.6171.5-179.6-90000112.2L251 A287 R293L251-D291 HydrophobicContact CD2-CB 3.36Å; L251-D291 VanDerWaalsContact CD2-CG 3.48Å; A287-D291 PolarHBondContact O-N 3.23Å; D291-R293 PolarHBondContact O-N 3.08Å; D291-R293 VanDerWaalsContact O-N 3.07Å; D291-R293 VanDerWaalsContact OD1-CB 3.26Å; D291-R293 WeakPolarHBondContact OD1-CB 3.34Å; D291-R293 WeakPolarHBondContact OD1-CG 3.17Å; D291-R293 IonicContact OD1-CZ 2.75Å; D291-R293 PolarHBondContact OD1-N 3.17Å; D291-R293 IonicContact OD1-NE 3.64Å; D291-R293 PolarHBondContact OD1-NE 2.86Å; D291-R293 IonicContact OD1-NH2 2.98Å; D291-R293 IonicContact OD2-CZ 2.72Å; D291-R293 IonicContact OD2-NE 2.65Å; D291-R293 PolarHBondContact OD2-NE 2.88Å; D291-R293 IonicContact OD2-NH2 3.05Å; D291-R293 PolarHBondContact OD2-NH2 3.21Å
292G85.9Confident88.2Confident49 Ų4955 Ų5551%0.50530%0.302SS..  trans74.5-10.4170.600000115.9A288 Q289A288-G292 PolarHBondContact O-N 3.07Å; Q289-G292 PolarHBondContact O-N 3.24Å
293R87.8Confident88.3Confident96 Ų9653.2 Ų53.236%0.36229%0.293SS..  trans-77.8-26.4-179.8-62.7179.3-74.4176.4-10.6113.6L247 E248 V249 D291 K333L247-R293 HydrophobicContact CD2-CB 4.23Å; E248-R293 PolarHBondContact O-NH1 2.9Å; V249-R293 HydrophobicContact CG1-CB 4.46Å; V249-R293 HydrophobicContact CG2-CB 4.1Å; D291-R293 PolarHBondContact O-N 3.08Å; D291-R293 VanDerWaalsContact O-N 3.07Å; D291-R293 VanDerWaalsContact OD1-CB 3.26Å; D291-R293 WeakPolarHBondContact OD1-CB 3.34Å; D291-R293 WeakPolarHBondContact OD1-CG 3.17Å; D291-R293 IonicContact OD1-CZ 2.75Å; D291-R293 PolarHBondContact OD1-N 3.17Å; D291-R293 IonicContact OD1-NE 3.64Å; D291-R293 PolarHBondContact OD1-NE 2.86Å; D291-R293 IonicContact OD1-NH2 2.98Å; D291-R293 IonicContact OD2-CZ 2.72Å; D291-R293 IonicContact OD2-NE 2.65Å; D291-R293 PolarHBondContact OD2-NE 2.88Å; D291-R293 IonicContact OD2-NH2 3.05Å; D291-R293 PolarHBondContact OD2-NH2 3.21Å; R293-K333 WeakPolarHBondContact O-CE 3.47Å; R293-K333 PolarHBondContact O-NZ 3.15Å
294L91Very high88.3Confident6 Ų653.1 Ų53.13%0.03129%0.293CS..  trans-87.5138.8177.5-59.2-172.9000111.7V249 L251 F260 I279 I282 A288 D298 L329 V331V249-L294 HydrophobicContact CB-CD2 4.14Å; V249-L294 HydrophobicContact CG1-CD2 4.1Å; V249-L294 HydrophobicContact CG1-CG 4.14Å; V249-L294 HydrophobicContact CG2-CD2 3.85Å; L251-L294 HydrophobicContact CD1-CD1 3.77Å; F260-L294 HydrophobicContact CD1-CD1 3.91Å; F260-L294 HydrophobicContact CE1-CD1 3.84Å; I279-L294 HydrophobicContact CD1-CB 4.22Å; I279-L294 HydrophobicContact CD1-CD1 3.91Å; I279-L294 HydrophobicContact CD1-CD2 4.24Å; I279-L294 HydrophobicContact CD1-CG 4.36Å; I282-L294 HydrophobicContact CD1-CB 3.96Å; A288-L294 HydrophobicContact CB-CB 4.31Å; A288-L294 HydrophobicContact CB-CD1 3.99Å; L294-D298 WeakPolarHBondContact CA-OD2 3.27Å; L294-L329 HydrophobicContact CD1-CD1 3.87Å; L294-V331 HydrophobicContact CD2-CG1 4.36Å; L294-V331 HydrophobicContact CD2-CG2 3.86Å
295Q88.3Confident88.3Confident112 Ų11253.1 Ų53.152%0.52330%0.298SS..  trans-133.8166.3-178.5-69.9164.5-46.400110.6I279 D298I279-Q295 WeakPolarHBondContact CG2-O 3.27Å; Q295-D298 PolarHBondContact N-OD2 3.18Å; Q295-D298 WeakPolarHBondContact O-CB 3.1Å; Q295-D298 PolarHBondContact O-N 3.42Å
296T87.3Confident88.5Confident92 Ų9254.7 Ų54.756%0.56429%0.294SS*.THydrogen-bonded Turntrans-73.7132.6171.648.80000110.4I279 T280 I282I279-T296 WeakPolarHBondContact O-CA 3.47Å; T280-T296 WeakPolarHBondContact O-CG2 3.28Å; I282-T296 HydrophobicContact CG1-CG2 4.45Å
297G79.9Confident88.6Confident38 Ų3858.8 Ų58.839%0.39232%0.318SS..THydrogen-bonded Turntrans97.6-9-171.600000114.2I279I279-G297 PolarHBondContact O-N 3.38Å
298D89.2Confident88.6Confident4 Ų458.1 Ų58.12%0.02131%0.312CS..  trans-62.6135.2173.3-75.46.6000111.7Y278 I279 L294 Q295 V331 K333Y278-D298 CarbonylContact C-O 3.59Å; Y278-D298 WeakPolarHBondContact CA-O 3.48Å; I279-D298 HydrophobicContact CB-CB 4.17Å; I279-D298 HydrophobicContact CD1-CB 3.94Å; I279-D298 HydrophobicContact CG1-CB 4.14Å; I279-D298 PolarHBondContact N-O 3.34Å; L294-D298 WeakPolarHBondContact CA-OD2 3.27Å; Q295-D298 PolarHBondContact N-OD2 3.18Å; Q295-D298 WeakPolarHBondContact O-CB 3.1Å; Q295-D298 PolarHBondContact O-N 3.42Å; D298-V331 HydrophobicContact CB-CG1 3.65Å; D298-K333 WeakPolarHBondContact OD1-CD 3.39Å; D298-K333 WeakPolarHBondContact OD1-CE 3.33Å; D298-K333 IonicContact OD1-NZ 2.83Å; D298-K333 PolarHBondContact OD1-NZ 2.83Å; D298-K333 WeakPolarHBondContact OD2-CE 3.35Å; D298-K333 IonicContact OD2-NZ 3.99Å; D298-K333 PolarHBondContact OD2-NZ 3.07Å
299R91.3Very high88.2Confident62 Ų6264.8 Ų64.823%0.23434%0.343CS..EExtended strand (participates in β ladder)trans-96.9120.9179.7-164165.979.5118.9-8.2110.9E244 S276 I277 Y278 L301 V331 A332E244-R299 VanDerWaalsContact CD-NE 3.29Å; E244-R299 WeakPolarHBondContact OE1-CD 3.4Å; E244-R299 IonicContact OE1-CZ 3.73Å; E244-R299 IonicContact OE1-NE 3.41Å; E244-R299 PolarHBondContact OE1-NE 3.13Å; E244-R299 IonicContact OE1-NH2 3.3Å; E244-R299 IonicContact OE2-CZ 2.8Å; E244-R299 IonicContact OE2-NE 2.65Å; E244-R299 PolarHBondContact OE2-NE 3.34Å; E244-R299 IonicContact OE2-NH2 3.24Å; E244-R299 PolarHBondContact OE2-NH2 3.4Å; S276-R299 PolarHBondContact OG-NH1 3.3Å; I277-R299 CarbonylContact O-C 3.57Å; I277-R299 WeakPolarHBondContact O-CA 3.28Å; Y278-R299 HydrophobicContact CD1-CB 3.96Å; Y278-R299 HydrophobicContact CD1-CG 4.11Å; Y278-R299 HydrophobicContact CE1-CB 3.68Å; Y278-R299 HydrophobicContact CE1-CG 3.66Å; Y278-R299 HydrophobicContact CE2-CG 4.48Å; Y278-R299 VanDerWaalsContact OH-CD 3.24Å; Y278-R299 WeakPolarHBondContact OH-CD 3.43Å; R299-L301 HydrophobicContact CG-CD2 4.5Å; R299-L301 PolarHBondContact O-N 2.85Å; R299-V331 CarbonylContact O-C 3.58Å; R299-V331 VanDerWaalsContact O-CA 3.31Å; R299-V331 WeakPolarHBondContact O-CA 3.48Å; R299-A332 HydrophobicContact CB-CB 4.03Å; R299-A332 PolarHBondContact N-O 2.76Å; R299-A332 PolarHBondContact O-N 3.32Å
300L92Very high87.8Confident3 Ų364.4 Ų64.42%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-85.5110.5-178.7-84.8157.2000110.9F260 I262 I277 I279 L308 L329 V331F260-L300 HydrophobicContact CE2-CD1 3.74Å; F260-L300 HydrophobicContact CZ-CD1 4.35Å; I262-L300 HydrophobicContact CG2-CD1 3.47Å; I262-L300 VanDerWaalsContact CG2-CD1 3.47Å; I277-L300 HydrophobicContact CB-CB 4.15Å; I277-L300 HydrophobicContact CG2-CB 4.05Å; I277-L300 HydrophobicContact CG2-CD1 4.2Å; I277-L300 PolarHBondContact O-N 3.06Å; I279-L300 HydrophobicContact CD1-CD1 4.12Å; I279-L300 HydrophobicContact CD1-CG 4.3Å; I279-L300 HydrophobicContact CG1-CD1 3.62Å; I279-L300 HydrophobicContact CG1-CG 4.07Å; L300-L308 HydrophobicContact CB-CD1 4.36Å; L300-L329 HydrophobicContact CD2-CB 4.38Å; L300-L329 HydrophobicContact CD2-CD2 4.14Å; L300-V331 HydrophobicContact CD2-CG2 3.94Å
301L90.5Very high87.7Confident40 Ų4057.3 Ų57.321%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-90.5-35-178.8-55.7179.9000112.6I246 R299 L308 K330 A332I246-L301 HydrophobicContact CD1-CD1 3.97Å; I246-L301 HydrophobicContact CG1-CD1 3.98Å; I246-L301 HydrophobicContact CG2-CD1 4.23Å; R299-L301 HydrophobicContact CG-CD2 4.5Å; R299-L301 PolarHBondContact O-N 2.85Å; L301-L308 PolarHBondContact O-N 3.38Å; L301-K330 WeakPolarHBondContact CA-O 3.25Å; L301-K330 HydrophobicContact CB-CB 4.45Å; L301-K330 HydrophobicContact CB-CG 4.44Å; L301-K330 WeakPolarHBondContact CB-O 3.2Å; L301-K330 PolarHBondContact N-O 2.74Å; L301-A332 HydrophobicContact CD1-CB 3.88Å; L301-A332 HydrophobicContact CD2-CB 4.19Å; L301-A332 HydrophobicContact CG-CB 4.07Å
302A91.1Very high87.6Confident11 Ų1161 Ų619%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-156.1156.8176.700000113.6I306 K330A302-I306 CarbonylContact C-O 3.59Å; A302-I306 WeakPolarHBondContact CA-O 3.49Å; A302-I306 WeakPolarHBondContact CB-O 3.33Å; A302-K330 HydrophobicContact CB-CB 3.89Å; A302-K330 PolarHBondContact N-O 3.2Å; A302-K330 VanDerWaalsContact N-O 3.15Å; A302-K330 PolarHBondContact O-N 2.98Å
303V92.6Very high87.7Confident0 Ų061 Ų610%031%0.312CS..EExtended strand (participates in β ladder)trans-128.1116.3173.5177.20000108.5N305 I306 L308 A319 L320 T323 V327 L329V303-N305 PolarHBondContact O-N 2.97Å; V303-I306 PolarHBondContact N-O 3.37Å; V303-I306 WeakPolarHBondContact O-CB 3.19Å; V303-I306 PolarHBondContact O-N 3.21Å; V303-L308 HydrophobicContact CG2-CD1 3.57Å; V303-L308 HydrophobicContact CG2-CG 4.25Å; V303-A319 HydrophobicContact CB-CB 4.39Å; V303-L320 HydrophobicContact CB-CD2 4.49Å; V303-L320 HydrophobicContact CG1-CD2 4.09Å; V303-L320 HydrophobicContact CG2-CD2 3.52Å; V303-L320 HydrophobicContact CG2-CG 3.98Å; V303-T323 HydrophobicContact CG1-CG2 3.84Å; V303-V327 HydrophobicContact CG1-CG1 3.87Å; V303-L329 HydrophobicContact CB-CD2 4.34Å; V303-L329 HydrophobicContact CG1-CD2 4.22Å; V303-L329 HydrophobicContact CG2-CD2 3.79Å
304N88.6Confident87.8Confident55 Ų5562.3 Ų62.329%0.29432%0.322SS..THydrogen-bonded Turntrans46.5-117.9-162-66-3.7000109.9Y328N304-Y328 PolarHBondContact N-O 3.09Å; N304-Y328 PolarHBondContact OD1-N 2.87Å; N304-Y328 PolarHBondContact OD1-O 2.83Å
305N83.2Confident87.7Confident164 Ų16466.4 Ų66.488%0.87734%0.341SS*.THydrogen-bonded Turntrans-97.17.7179-61-4.3000113V303V303-N305 PolarHBondContact O-N 2.97Å
306I87.1Confident87.7Confident82 Ų8261 Ų6142%0.42132%0.316SS..EExtended strand (participates in β ladder)trans-96.4112-178.8-53.6175.5000108.7A302 V303 L308 A319A302-I306 CarbonylContact C-O 3.59Å; A302-I306 WeakPolarHBondContact CA-O 3.49Å; A302-I306 WeakPolarHBondContact CB-O 3.33Å; V303-I306 PolarHBondContact N-O 3.37Å; V303-I306 WeakPolarHBondContact O-CB 3.19Å; V303-I306 PolarHBondContact O-N 3.21Å; I306-L308 HydrophobicContact CG2-CD2 4.2Å; I306-A319 HydrophobicContact CB-CB 4.39Å; I306-A319 HydrophobicContact CD1-CB 3.96Å; I306-A319 HydrophobicContact CG2-CB 4.09Å
307V89.6Confident87.8Confident93 Ų9358.4 Ų58.456%0.56430%0.299SS*.EExtended strand (participates in β ladder)trans-72137.9174.1177.90000109.7Q309V307-Q309 HydrophobicContact CG1-CB 3.99Å
308L89.3Confident88.2Confident2 Ų259.1 Ų59.11%0.0130%0.302CS..  trans-111.219.4-177.7-60.8-168.4000113.7I277 L300 L301 V303 I306 V311 A316 A319I277-L308 HydrophobicContact CG1-CB 4.08Å; I277-L308 HydrophobicContact CG1-CD1 4.38Å; L300-L308 HydrophobicContact CB-CD1 4.36Å; L301-L308 PolarHBondContact O-N 3.38Å; V303-L308 HydrophobicContact CG2-CD1 3.57Å; V303-L308 HydrophobicContact CG2-CG 4.25Å; I306-L308 HydrophobicContact CG2-CD2 4.2Å; L308-V311 HydrophobicContact CB-CG2 4.14Å; L308-V311 HydrophobicContact CD2-CG2 4.2Å; L308-V311 WeakPolarHBondContact O-CG2 3.2Å; L308-A316 HydrophobicContact CD1-CB 4.1Å; L308-A316 HydrophobicContact CD2-CB 4.23Å; L308-A319 HydrophobicContact CD2-CB 4.03Å
309Q83.1Confident88.3Confident140 Ų14059.1 Ų59.165%0.65430%0.303SS*.THydrogen-bonded Turntrans-76.2131.8170.3178.7171.9-1.500110.3V307 V311V307-Q309 HydrophobicContact CG1-CB 3.99Å; Q309-V311 PolarHBondContact O-N 3.12Å; Q309-V311 VanDerWaalsContact O-N 3.08Å
310D80.1Confident88.3Confident83 Ų8357.2 Ų57.244%0.44430%0.297SS..THydrogen-bonded Turntrans5231176.6-69-68.3000114.4I266 N275I266-D310 HydrophobicContact CD1-CB 4.19Å; I266-D310 WeakPolarHBondContact CD1-O 3.26Å; N275-D310 WeakPolarHBondContact CB-OD1 3.43Å; N275-D310 PolarHBondContact ND2-OD1 2.98Å
311V84.5Confident88Confident21 Ų2164.6 Ų64.613%0.12733%0.329CS..  trans-89.1160172.3-57.70000111.2G265 I266 I277 L308 Q309 E315 A316G265-V311 CarbonylContact C-O 3.49Å; G265-V311 WeakPolarHBondContact CA-O 3.08Å; I266-V311 PolarHBondContact N-O 2.96Å; I277-V311 HydrophobicContact CD1-CG2 4.07Å; I277-V311 HydrophobicContact CG1-CG2 4.07Å; L308-V311 HydrophobicContact CB-CG2 4.14Å; L308-V311 HydrophobicContact CD2-CG2 4.2Å; L308-V311 WeakPolarHBondContact O-CG2 3.2Å; Q309-V311 PolarHBondContact O-N 3.12Å; Q309-V311 VanDerWaalsContact O-N 3.08Å; V311-E315 HydrophobicContact CB-CB 4.21Å; V311-A316 HydrophobicContact CG2-CB 4Å
312R87.7Confident87.8Confident127 Ų12769.5 Ų69.548%0.47936%0.355SS..BIsolated β-bridgetrans-72.4152.7168.6-57.2177.6174.5-129.2-8.7110.6E314 E315 A316R312-E314 HydrophobicContact CB-CG 3.87Å; R312-E314 VanDerWaalsContact CD-OE1 3.27Å; R312-E314 WeakPolarHBondContact CD-OE1 3.34Å; R312-E314 IonicContact NH1-OE1 2.9Å; R312-E314 PolarHBondContact NH1-OE1 3.04Å; R312-E314 PolarHBondContact O-N 2.7Å; R312-E315 HydrophobicContact CB-CB 4.4Å; R312-E315 HydrophobicContact CB-CG 4.04Å; R312-E315 WeakPolarHBondContact CB-OE2 3.36Å; R312-E315 WeakPolarHBondContact CD-OE1 3.41Å; R312-E315 WeakPolarHBondContact CG-OE2 3.43Å; R312-E315 PolarHBondContact N-OE2 3.4Å; R312-E315 IonicContact NE-OE1 3.92Å; R312-E315 WeakPolarHBondContact O-CB 3.37Å; R312-E315 PolarHBondContact O-N 3.42Å; R312-A316 PolarHBondContact O-N 3.02Å; R312-A316 VanDerWaalsContact O-N 3.11Å
313H88.4Confident87.6Confident50 Ų5070.1 Ų70.123%0.23136%0.358CS..Hα-helixtrans-54.7-39.3175-172.979.5000112.6G264 N268 E315 A316 V317G264-H313 VanDerWaalsContact O-CB 3.31Å; G264-H313 WeakPolarHBondContact O-CB 2.99Å; G264-H313 PolarHBondContact O-ND1 2.93Å; N268-H313 HydrophobicContact CB-CB 4Å; N268-H313 PolarHBondContact ND2-ND1 3.34Å; H313-E315 VanDerWaalsContact C-N 3.33Å; H313-E315 PolarHBondContact O-N 3.49Å; H313-A316 PolarHBondContact O-N 3.19Å; H313-V317 WeakPolarHBondContact O-CB 3.34Å; H313-V317 WeakPolarHBondContact O-CG2 3.31Å; H313-V317 PolarHBondContact O-N 2.88Å
314E88.8Confident87.2Confident124 Ų12473.9 Ų73.958%0.57938%0.384SS*.Hα-helixtrans-64.7-33.6177.264.2-164.1151.900113.3R312 A318R312-E314 HydrophobicContact CB-CG 3.87Å; R312-E314 VanDerWaalsContact CD-OE1 3.27Å; R312-E314 WeakPolarHBondContact CD-OE1 3.34Å; R312-E314 IonicContact NH1-OE1 2.9Å; R312-E314 PolarHBondContact NH1-OE1 3.04Å; R312-E314 PolarHBondContact O-N 2.7Å; E314-A318 VanDerWaalsContact O-CB 3.27Å; E314-A318 WeakPolarHBondContact O-CB 3.42Å; E314-A318 PolarHBondContact O-N 3.45Å
315E88.7Confident86.9Confident91 Ų9177 Ų7743%0.42540%0.401SS..Hα-helixtrans-74-41.4178.5-67.1161.3175.900111V311 R312 H313 A318 A319V311-E315 HydrophobicContact CB-CB 4.21Å; R312-E315 HydrophobicContact CB-CB 4.4Å; R312-E315 HydrophobicContact CB-CG 4.04Å; R312-E315 WeakPolarHBondContact CB-OE2 3.36Å; R312-E315 WeakPolarHBondContact CD-OE1 3.41Å; R312-E315 WeakPolarHBondContact CG-OE2 3.43Å; R312-E315 PolarHBondContact N-OE2 3.4Å; R312-E315 IonicContact NE-OE1 3.92Å; R312-E315 WeakPolarHBondContact O-CB 3.37Å; R312-E315 PolarHBondContact O-N 3.42Å; H313-E315 VanDerWaalsContact C-N 3.33Å; H313-E315 PolarHBondContact O-N 3.49Å; E315-A318 PolarHBondContact O-N 2.97Å; E315-A319 WeakPolarHBondContact O-CB 3.21Å; E315-A319 PolarHBondContact O-N 3.25Å
316A89.1Confident87.1Confident0 Ų072.5 Ų72.50%038%0.375CS..Hα-helixtrans-62.8-42.5172.400000112.5I262 I277 L308 V311 R312 H313 A318 A319 L320I262-A316 HydrophobicContact CD1-CB 3.97Å; I277-A316 HydrophobicContact CD1-CB 3.61Å; I277-A316 HydrophobicContact CG1-CB 3.76Å; I277-A316 HydrophobicContact CG2-CB 4.35Å; L308-A316 HydrophobicContact CD1-CB 4.1Å; L308-A316 HydrophobicContact CD2-CB 4.23Å; V311-A316 HydrophobicContact CG2-CB 4Å; R312-A316 PolarHBondContact O-N 3.02Å; R312-A316 VanDerWaalsContact O-N 3.11Å; H313-A316 PolarHBondContact O-N 3.19Å; A316-A318 VanDerWaalsContact C-N 3.35Å; A316-A319 PolarHBondContact O-N 3.36Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.89Å
317V89.6Confident87.4Confident36 Ų3668.6 Ų68.622%0.21836%0.355CS..Hα-helixtrans-66.1-36.8174.1170.30000111.5I262 H313 K321I262-V317 HydrophobicContact CD1-CG2 3.96Å; I262-V317 HydrophobicContact CG1-CG2 4.37Å; H313-V317 WeakPolarHBondContact O-CB 3.34Å; H313-V317 WeakPolarHBondContact O-CG2 3.31Å; H313-V317 PolarHBondContact O-N 2.88Å; V317-K321 HydrophobicContact CG1-CD 3.89Å; V317-K321 WeakPolarHBondContact O-CB 3.41Å; V317-K321 VanDerWaalsContact O-CG 3.29Å; V317-K321 WeakPolarHBondContact O-CG 3.14Å; V317-K321 PolarHBondContact O-N 3.05Å
318A88.8Confident87.4Confident53 Ų5370.3 Ų70.344%0.43835%0.353SS..Hα-helixtrans-65.8-43.5174.500000111.7E314 E315 A316 K321 N322E314-A318 VanDerWaalsContact O-CB 3.27Å; E314-A318 WeakPolarHBondContact O-CB 3.42Å; E314-A318 PolarHBondContact O-N 3.45Å; E315-A318 PolarHBondContact O-N 2.97Å; A316-A318 VanDerWaalsContact C-N 3.35Å; A318-K321 PolarHBondContact O-N 3.42Å; A318-N322 VanDerWaalsContact O-CB 3.22Å; A318-N322 WeakPolarHBondContact O-CB 3.02Å; A318-N322 PolarHBondContact O-N 3.2Å
319A90.9Very high87.7Confident5 Ų570.4 Ų70.44%0.04135%0.353CS..Hα-helixtrans-60.7-46.9175.400000112V303 I306 L308 E315 A316 K321 T323V303-A319 HydrophobicContact CB-CB 4.39Å; I306-A319 HydrophobicContact CB-CB 4.39Å; I306-A319 HydrophobicContact CD1-CB 3.96Å; I306-A319 HydrophobicContact CG2-CB 4.09Å; L308-A319 HydrophobicContact CD2-CB 4.03Å; E315-A319 WeakPolarHBondContact O-CB 3.21Å; E315-A319 PolarHBondContact O-N 3.25Å; A316-A319 PolarHBondContact O-N 3.36Å; A319-K321 VanDerWaalsContact C-N 3.33Å; A319-K321 PolarHBondContact O-N 2.97Å; A319-T323 VanDerWaalsContact O-CG2 3.27Å; A319-T323 WeakPolarHBondContact O-CG2 3.43Å
320L90.2Very high88.1Confident22 Ų2267.7 Ų67.712%0.11534%0.339CS..Hα-helixtrans-64.5-33.8177-73.8169.1000113.2L258 F260 I262 V303 A316 T323 L329L258-L320 HydrophobicContact CD1-CD2 3.87Å; F260-L320 HydrophobicContact CE2-CD1 4.19Å; F260-L320 HydrophobicContact CE2-CD2 4.31Å; F260-L320 HydrophobicContact CZ-CD2 3.88Å; I262-L320 HydrophobicContact CD1-CD1 3.65Å; I262-L320 HydrophobicContact CG1-CD1 4.11Å; I262-L320 HydrophobicContact CG2-CD1 4Å; V303-L320 HydrophobicContact CB-CD2 4.49Å; V303-L320 HydrophobicContact CG1-CD2 4.09Å; V303-L320 HydrophobicContact CG2-CD2 3.52Å; V303-L320 HydrophobicContact CG2-CG 3.98Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.89Å; L320-T323 PolarHBondContact O-OG1 3.18Å; L320-L329 HydrophobicContact CD2-CD2 4.02Å
321K86.5Confident88.6Confident158 Ų15863.8 Ų63.869%0.68732%0.318SS*.Hα-helixtrans-76.2-47.5177.2-74.9173.7179.9173.50112.3K253 V317 A318 A319 T323K253-K321 PolarHBondContact NZ-O 3.03Å; V317-K321 HydrophobicContact CG1-CD 3.89Å; V317-K321 WeakPolarHBondContact O-CB 3.41Å; V317-K321 VanDerWaalsContact O-CG 3.29Å; V317-K321 WeakPolarHBondContact O-CG 3.14Å; V317-K321 PolarHBondContact O-N 3.05Å; A318-K321 PolarHBondContact O-N 3.42Å; A319-K321 VanDerWaalsContact C-N 3.33Å; A319-K321 PolarHBondContact O-N 2.97Å; K321-T323 PolarHBondContact O-N 3.3Å
322N85.6Confident88.7Confident143 Ų14362.8 Ų62.877%0.76531%0.312SS*.SBendtrans-81.753.3-174.6-166.633.2000112.8A318A318-N322 VanDerWaalsContact O-CB 3.22Å; A318-N322 WeakPolarHBondContact O-CB 3.02Å; A318-N322 PolarHBondContact O-N 3.2Å
323T87.8Confident88.5Confident23 Ų2358 Ų5814%0.14130%0.295CS..  trans-128.8154.6177.343.10000109.6K253 V303 A319 L320 K321 V327K253-T323 WeakPolarHBondContact CE-OG1 3.29Å; K253-T323 PolarHBondContact NZ-O 2.75Å; K253-T323 PolarHBondContact NZ-OG1 3.38Å; V303-T323 HydrophobicContact CG1-CG2 3.84Å; A319-T323 VanDerWaalsContact O-CG2 3.27Å; A319-T323 WeakPolarHBondContact O-CG2 3.43Å; L320-T323 PolarHBondContact O-OG1 3.18Å; K321-T323 PolarHBondContact O-N 3.3Å; T323-V327 HydrophobicContact CG2-CG1 4.12Å; T323-V327 HydrophobicContact CG2-CG2 4.36Å; T323-V327 WeakPolarHBondContact OG1-CG2 3.15Å
324S82.9Confident87.3Confident79 Ų7959.4 Ų59.455%0.55231%0.308SS*.  trans-71.9-173.5172.749.50000111.8K253 M326K253-S324 WeakPolarHBondContact CD-O 3.48Å; K253-S324 WeakPolarHBondContact CE-O 3.18Å; K253-S324 PolarHBondContact NZ-O 3.36Å; S324-M326 PolarHBondContact O-N 2.9Å; S324-M326 PolarHBondContact OG-O 2.79Å
325D83.1Confident85.5Confident120 Ų12054.6 Ų54.664%0.64229%0.292SS*.SBendtrans-64.2-24.1-177.7-57.3-42.6000113.5L252 K253L252-D325 CarbonylContact C-O 3.49Å; L252-D325 VanDerWaalsContact CA-O 3.31Å; L252-D325 WeakPolarHBondContact CA-O 3.14Å; L252-D325 HydrophobicContact CD1-CB 4.33Å; L252-D325 WeakPolarHBondContact CD1-O 3.4Å; K253-D325 PolarHBondContact N-O 3.27Å
326M88.4Confident83.2Confident71 Ų7156.4 Ų56.435%0.3531%0.312SS..EExtended strand (participates in β ladder)trans-104.5128.5171.3-174.962.46800110N250 L252 S324 Y328N250-M326 HydrophobicContact CB-SD 4.29Å; L252-M326 HydrophobicContact CB-CE 4.32Å; L252-M326 HydrophobicContact CD1-CE 3.92Å; S324-M326 PolarHBondContact O-N 2.9Å; S324-M326 PolarHBondContact OG-O 2.79Å; M326-Y328 HydrophobicContact CG-CD2 4.49Å; M326-Y328 HydrophobicContact CG-CE2 3.84Å
327V91.6Very high80.7Confident0 Ų062.4 Ų62.40%035%0.348CS..EExtended strand (participates in β ladder)trans-125.8124.3-179.4-170.40000110.1N250 L251 K253 L258 V303 T323 L329N250-V327 CarbonylContact C-O 3.52Å; N250-V327 WeakPolarHBondContact CA-O 3.07Å; L251-V327 PolarHBondContact N-O 2.96Å; L251-V327 PolarHBondContact O-N 2.96Å; K253-V327 HydrophobicContact CD-CG2 4.43Å; K253-V327 VanDerWaalsContact CE-CG2 3.49Å; K253-V327 HydrophobicContact CG-CG2 4.19Å; L258-V327 HydrophobicContact CD1-CB 4.42Å; L258-V327 HydrophobicContact CD1-CG1 4.27Å; L258-V327 HydrophobicContact CD1-CG2 4.29Å; L258-V327 HydrophobicContact CD2-CB 3.91Å; L258-V327 HydrophobicContact CD2-CG2 3.75Å; L258-V327 HydrophobicContact CG-CG2 4.47Å; V303-V327 HydrophobicContact CG1-CG1 3.87Å; T323-V327 HydrophobicContact CG2-CG1 4.12Å; T323-V327 HydrophobicContact CG2-CG2 4.36Å; T323-V327 WeakPolarHBondContact OG1-CG2 3.15Å; V327-L329 HydrophobicContact CG1-CD2 3.77Å; V327-L329 HydrophobicContact CG1-CG 4.23Å
328Y91.1Very high77.9Confident128 Ų12868.5 Ų68.550%0.50237%0.374SS..EExtended strand (participates in β ladder)trans-91.1132.4173.3-59.4-104.9000107.6N250 N304 M326N250-Y328 HydrophobicContact CB-CD1 4.46Å; N250-Y328 VanDerWaalsContact CG-CD1 3.46Å; N250-Y328 WeakPolarHBondContact OD1-CD1 2.94Å; N304-Y328 PolarHBondContact N-O 3.09Å; N304-Y328 PolarHBondContact OD1-N 2.87Å; N304-Y328 PolarHBondContact OD1-O 2.83Å; M326-Y328 HydrophobicContact CG-CD2 4.49Å; M326-Y328 HydrophobicContact CG-CE2 3.84Å
329L94.1Very high75.1Confident4 Ų472.4 Ų72.42%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-128129.5-177.1-60173.4000108.9E248 V249 L251 F260 L294 L300 V303 L320 V327 V331E248-L329 WeakPolarHBondContact CA-O 3.49Å; V249-L329 HydrophobicContact CB-CB 4.47Å; V249-L329 PolarHBondContact N-O 2.99Å; V249-L329 WeakPolarHBondContact O-CB 3.49Å; V249-L329 PolarHBondContact O-N 2.99Å; L251-L329 HydrophobicContact CD1-CD1 3.86Å; L251-L329 HydrophobicContact CG-CD1 4.28Å; F260-L329 HydrophobicContact CE1-CD1 3.77Å; F260-L329 HydrophobicContact CZ-CD1 3.88Å; L294-L329 HydrophobicContact CD1-CD1 3.87Å; L300-L329 HydrophobicContact CD2-CB 4.38Å; L300-L329 HydrophobicContact CD2-CD2 4.14Å; V303-L329 HydrophobicContact CB-CD2 4.34Å; V303-L329 HydrophobicContact CG1-CD2 4.22Å; V303-L329 HydrophobicContact CG2-CD2 3.79Å; L320-L329 HydrophobicContact CD2-CD2 4.02Å; V327-L329 HydrophobicContact CG1-CD2 3.77Å; V327-L329 HydrophobicContact CG1-CG 4.23Å; L329-V331 HydrophobicContact CB-CG2 4.05Å
330K92.4Very high72.1Confident84 Ų8478 Ų7837%0.36542%0.416SS..EExtended strand (participates in β ladder)trans-103121.2170.2-164.1158.2-172145.90108.4I246 E248 L301 A302I246-K330 HydrophobicContact CG2-CD 4.34Å; I246-K330 HydrophobicContact CG2-CG 3.79Å; E248-K330 HydrophobicContact CG-CD 4.36Å; E248-K330 HydrophobicContact CG-CG 4.1Å; E248-K330 WeakPolarHBondContact OE1-CD 3.26Å; E248-K330 WeakPolarHBondContact OE1-CE 3.41Å; E248-K330 IonicContact OE1-NZ 2.65Å; E248-K330 PolarHBondContact OE1-NZ 2.93Å; L301-K330 WeakPolarHBondContact CA-O 3.25Å; L301-K330 HydrophobicContact CB-CB 4.45Å; L301-K330 HydrophobicContact CB-CG 4.44Å; L301-K330 WeakPolarHBondContact CB-O 3.2Å; L301-K330 PolarHBondContact N-O 2.74Å; A302-K330 HydrophobicContact CB-CB 3.89Å; A302-K330 PolarHBondContact N-O 3.2Å; A302-K330 VanDerWaalsContact N-O 3.15Å; A302-K330 PolarHBondContact O-N 2.98Å
331V91.3Very high69.1Low0 Ų083.4 Ų83.40%045%0.445CS..EExtended strand (participates in β ladder)trans-131.8133.4-165-177.50000109.2I246 L247 L294 D298 R299 L300 L329I246-V331 CarbonylContact C-O 3.59Å; I246-V331 WeakPolarHBondContact CA-O 3.29Å; L247-V331 PolarHBondContact N-O 2.87Å; L247-V331 PolarHBondContact O-N 3.44Å; L294-V331 HydrophobicContact CD2-CG1 4.36Å; L294-V331 HydrophobicContact CD2-CG2 3.86Å; D298-V331 HydrophobicContact CB-CG1 3.65Å; R299-V331 CarbonylContact O-C 3.58Å; R299-V331 VanDerWaalsContact O-CA 3.31Å; R299-V331 WeakPolarHBondContact O-CA 3.48Å; L300-V331 HydrophobicContact CD2-CG2 3.94Å; L329-V331 HydrophobicContact CB-CG2 4.05Å
332A86.7Confident66.3Low0 Ų084 Ų840%045%0.452CS..EExtended strand (participates in β ladder)trans-93.7130.8167.400000110E244 R299 L301E244-A332 HydrophobicContact CB-CB 3.82Å; E244-A332 HydrophobicContact CG-CB 4.23Å; E244-A332 WeakPolarHBondContact OE2-CB 3.44Å; R299-A332 HydrophobicContact CB-CB 4.03Å; R299-A332 PolarHBondContact N-O 2.76Å; R299-A332 PolarHBondContact O-N 3.32Å; L301-A332 HydrophobicContact CD1-CB 3.88Å; L301-A332 HydrophobicContact CD2-CB 4.19Å; L301-A332 HydrophobicContact CG-CB 4.07Å
333K82.3Confident63.4Low27 Ų2787.6 Ų87.612%0.11746%0.457CS..EExtended strand (participates in β ladder)trans-94131.3169.2-67.6-64-166.9172.30109.3E244 T245 R293 D298 G335E244-K333 WeakPolarHBondContact CA-O 3.34Å; E244-K333 WeakPolarHBondContact CB-O 3.16Å; T245-K333 PolarHBondContact N-O 2.83Å; T245-K333 PolarHBondContact O-N 3.23Å; R293-K333 WeakPolarHBondContact O-CE 3.47Å; R293-K333 PolarHBondContact O-NZ 3.15Å; D298-K333 WeakPolarHBondContact OD1-CD 3.39Å; D298-K333 WeakPolarHBondContact OD1-CE 3.33Å; D298-K333 IonicContact OD1-NZ 2.83Å; D298-K333 PolarHBondContact OD1-NZ 2.83Å; D298-K333 WeakPolarHBondContact OD2-CE 3.35Å; D298-K333 IonicContact OD2-NZ 3.99Å; D298-K333 PolarHBondContact OD2-NZ 3.07Å; K333-G335 PolarHBondContact O-N 2.9Å
334P62.7Low60.5Low79 Ų7991 Ų9151%0.51349%0.487SS..PPolyproline II helixtrans-58.2134.3167.225.7-32.9000109.5
335G51.1Low57.9Low24 Ų2492.2 Ų92.225%0.24749%0.493CS..PPolyproline II helixtrans-65.6147.2-173.200000113.3K333 V337K333-G335 PolarHBondContact O-N 2.9Å; G335-V337 PolarHBondContact O-N 2.68Å
336P41.9Very low55.3Low128 Ų12892.8 Ų92.883%0.83150%0.503SS*.  trans-71.6114.6178.429.2-33.6000111
337V36.5Very low52.5Low126 Ų12696.4 Ų96.476%0.76452%0.524SS*.  trans-114.1140168.4-168.30000107.7G335G335-V337 PolarHBondContact O-N 2.68Å
338H29.8Very low49.4Very low164 Ų164107.4 Ų107.476%0.75957%0.567SS**  trans-139.9127.1-165.9-147.467000110.9
339L30.7Very low46.2Very low135 Ų135105.1 Ų105.171%0.70757%0.57SS**  trans68.3152.7173.9-52166.6000115.5
340N27.6Very low43.2Very low123 Ų123109 Ų10966%0.65860%0.597SS**  cis-170.1170-35-106.922.3000106
341D28.2Very low40Very low136 Ų136111.6 Ų111.673%0.72762%0.62SS**  cis-155.1121.93.8-119.3-39.4000108.7
342M25.7Very low36.9Very low170 Ų170120.1 Ų120.184%0.83766%0.658SS**SBendtrans-166137.9157.1-159.9118.97300111.5
343Y26.3Very low34.3Very low219 Ų219125.8 Ų125.886%0.85970%0.695SS**  trans57.170.5179.1-74.4-72.8000117.5
344A27.1Very low31.8Very low93 Ų93130.4 Ų130.477%0.76973%0.726SS**  trans-108.8122.713200000108.9
345P26.6Very low29.9Very low106 Ų106135.8 Ų135.869%0.68875%0.746SS**  trans-6615215031.9-31.9000108.4D347P345-D347 PolarHBondContact O-N 2.98Å; P345-D347 VanDerWaalsContact O-N 3.17Å
346P29.6Very low28.8Very low132 Ų132141.2 Ų141.286%0.85777%0.774SS**  trans-70.8115.5-166.526.8-34.8000113
347D29.9Very low27.9Very low147 Ų147142.2 Ų142.279%0.78677%0.772SS**  trans-58.6157.2154.6-96.7-37.9000110.8P345P345-D347 PolarHBondContact O-N 2.98Å; P345-D347 VanDerWaalsContact O-N 3.17Å
348Y25.5Very low27.5Very low230 Ų230142.5 Ų142.590%0.90277%0.77SS**  trans-131109135.6-141.4-86.3000111.8
349S24.3Very low27.5Very low81 Ų81142.7 Ų142.757%0.56677%0.771SS**  trans-62.9146179.61700000112.9
350S31.5Very low27.2Very low84 Ų84143 Ų14359%0.58778%0.778SS**  trans-17.3144.5141.9-34.30000116.2
351T25.3Very low26.9Very low139 Ų139142 Ų14285%0.85378%0.781SS**  trans-147.6155.8136.3-210000111.9
352F26.7Very low26.8Very low179 Ų179143.9 Ų143.979%0.78579%0.785SS**  trans-96.3176.9-167.6-75.7-87.4000111.5
353P31.8Very low26.7Very low119 Ų119140.2 Ų140.277%0.77378%0.775SS**  cis-139.6-176.920.644-25000117.7
354T28.2Very low26.6Very low125 Ų125140.2 Ų140.277%0.76778%0.776SS**  trans-67.8136173.451.10000113.5
355M24.2Very low26.5Very low192 Ų192144.1 Ų144.195%0.94678%0.78SS**  trans-132.4140.5133.1-75.1-164.3173.300109.2
356V28.2Very low26.4Very low138 Ų138142.1 Ų142.184%0.83678%0.779SS**  trans-86.6135.4163.6-75.50000107.8
357D22.2Very low26.3Very low148 Ų148140.7 Ų140.779%0.79178%0.778SS**  -159.3170.1108.1-139.5-31000111.3
358N29.1Very low26.1Very low133 Ų133142.7 Ų142.771%0.71179%0.785SS**  trans-86.1179.9174.9-91.1-56.5000112.8
359H29.1Very low26.1Very low168 Ų168138 Ų13878%0.77877%0.771SS**  trans106.1108.2149.7-57.5-69.7000118.4
360V23.5Very low26.5Very low141 Ų141140 Ų14086%0.85578%0.782SS**  trans-80.6113.7149.9174.40000108.3
361S22Very low26.2Very low103 Ų103143 Ų14372%0.7279%0.785SS**  trans176.2116.7140.2-81.90000114.6
362H26.6Very low26.7Very low175 Ų175141.5 Ų141.581%0.8178%0.777SS**  trans50.9120.3142.2-85.1-67.9000124.6
363S22.3Very low26.6Very low92 Ų92138.2 Ų138.264%0.64377%0.772SS**  75.1107.3126.9-56.10000121.5
364Y24.3Very low26.4Very low220 Ų220142.7 Ų142.786%0.86378%0.775SS**  -171.4170.599.5-121.6-106000113.9
365M24.8Very low26.6Very low174 Ų174141.7 Ų141.786%0.85777%0.771SS**  trans-40.2156.3175.8-52.6-88.2-89.400116.4
366G25.6Very low27.6Very low65 Ų65138.4 Ų138.467%0.6776%0.763SS**  cis155.1165.2-1.700000113.1
367A26.6Very low27.9Very low101 Ų101137.5 Ų137.584%0.83576%0.76SS**  trans67157.2178.400000116.4
368M26.8Very low28Very low189 Ų189139 Ų13993%0.93176%0.763SS**  cis-148.3154.34.4-145.8161.6-171.700111.4
369E25.2Very low27.8Very low131 Ų131138.5 Ų138.561%0.61276%0.764SS**  trans-88.3165.4176.4-132.4-170.8-13800111.6K371E369-K371 IonicContact OE1-NZ 2.99Å; E369-K371 PolarHBondContact OE1-NZ 2.86Å; E369-K371 IonicContact OE2-NZ 2.95Å; E369-K371 PolarHBondContact OE2-NZ 3.28Å
370P31.8Very low27.5Very low124 Ų124136.6 Ų136.681%0.80577%0.765SS**  -147.1163.26937.4-16.5000119.4
371K26.1Very low28.1Very low146 Ų146135.1 Ų135.164%0.63576%0.758SS**  trans-54.1179163.3-71.4178-177.769.30114.1E369E369-K371 IonicContact OE1-NZ 2.99Å; E369-K371 PolarHBondContact OE1-NZ 2.86Å; E369-K371 IonicContact OE2-NZ 2.95Å; E369-K371 PolarHBondContact OE2-NZ 3.28Å
372P36Very low28.3Very low108 Ų108135.6 Ų135.670%0.70176%0.761SS**  cis-159.3178.533.744.4-20.5000123.1
373V23.7Very low28.2Very low111 Ų111139 Ų13967%0.67377%0.767SS**  trans59.4152162-86.90000119.8
374Y28.2Very low28.5Very low213 Ų213145.1 Ų145.184%0.83578%0.778SS**  cis-144-168.825.4-114.7-40.8000113.2
375P33.4Very low28.7Very low104 Ų104138.7 Ų138.768%0.67576%0.764SS**  trans-124.8-177.6-140.944.9-27.3000117.4
376P44.4Very low29.6Very low122 Ų122136 Ų13679%0.79276%0.76SS**  trans-110.8154.7-177.739.9-33000117.1
377P34.5Very low29.6Very low119 Ų119138.6 Ų138.677%0.77376%0.763SS**  trans-130.3141.5151.933.5-18.5000112.3
378Q23.7Very low29.8Very low181 Ų181139.9 Ų139.985%0.84676%0.763SS**  92.381.655.7-76.2-164.1-13.500117.9
379V24.5Very low29.9Very low122 Ų122141.5 Ų141.574%0.73976%0.758SS**  67.8109.6112.2171.90000122.3
380T22.7Very low30.1Very low128 Ų128141.4 Ų141.479%0.78576%0.758SS**  trans74.9168.3145.165.90000120.5
381P37.3Very low29.9Very low110 Ų110143.8 Ų143.871%0.71476%0.76SS**  cis-140.1167.28.242.9-24.7000120.9
382S25.1Very low30Very low113 Ų113143.9 Ų143.979%0.7977%0.767SS**  trans69.1155.3156.4-68.80000119.5
383R25.1Very low29.5Very low245 Ų245142 Ų14293%0.92577%0.767SS**  cis-131.8-177.213.6-154.3175.9-77.7-162.1-2.9112.2
384Y28.2Very low29.7Very low222 Ų222145.8 Ų145.887%0.87178%0.777SS**  trans-118.9166.2-143.1-128.2-108.5000117.8
385S28.4Very low29.7Very low84 Ų84144.1 Ų144.159%0.58778%0.777SS**  trans-85.6168.3168.5175.80000112.3
386P44.1Very low29.4Very low119 Ų119145.9 Ų145.977%0.77378%0.781SS**  -142.2-173.5113.531.3-13.6000113.4
387V26.3Very low28.4Very low118 Ų118148.2 Ų148.272%0.71578%0.779SS**  177.8133.8-62.8141.90000109.4
388P30.5Very low28Very low129 Ų129148 Ų14884%0.83878%0.776SS**  trans-126.2128.9152.330.3-15.1000113.1
389R28.4Very low28.1Very low222 Ų222144.3 Ų144.384%0.83877%0.77SS**  trans-158.9138.3169.3-118.2-151165.4111.1-2.1112.7
390H28.7Very low28.2Very low129 Ų129150.2 Ų150.260%0.59778%0.779SS**  trans49.7141.1149.1-87.6-102.6000122.6
391M27.6Very low28.4Very low174 Ų174148.3 Ų148.386%0.85778%0.776SS**  -130.3-160.3116-104.8-57.5166.600110.1
392L28.2Very low27.9Very low148 Ų148151.3 Ų151.378%0.77578%0.78SS**  trans-155.1164.2-152-89.4154.8000115.2
393G26.3Very low28Very low68 Ų68151.3 Ų151.370%0.70178%0.778SS**  trans88.5154.4164.300000115.8
394E27.6Very low28Very low191 Ų191147.4 Ų147.489%0.89377%0.773SS**  cis-156.8-159-18.6-145.6155.6-13000109.9
395E27.9Very low27.9Very low178 Ų178146.8 Ų146.883%0.83277%0.771SS**  trans-74.7176-154.6-65.1175.9134.900119.5
396D26.8Very low27.8Very low142 Ų142147.7 Ų147.776%0.75978%0.777SS**  trans108.3124.3148.4-93.30.1000124.9
397F24.8Very low26.9Very low170 Ų170147.7 Ų147.775%0.74678%0.775SS**  trans49.6108.4145.1-89.6-107.2000125.1
398T25.5Very low26.9Very low115 Ų115148.3 Ų148.371%0.70677%0.773SS**  78.6145.6129.951.30000124.8
399S26.4Very low26.7Very low103 Ų103150.8 Ų150.872%0.7277%0.773SS**  trans65.798.7149.751.70000122
400R25.6Very low26.6Very low247 Ų247149.2 Ų149.293%0.93277%0.772SS**  50.8128.7101.3-164.1-178.4-169.51554.3119.9
401A27.1Very low27.2Very low88 Ų88149 Ų14973%0.72778%0.782SS**  trans101.1115.8153.100000119.8
402E27Very low27.1Very low172 Ų172144.1 Ų144.180%0.80478%0.776SS**  trans42.6128.7130.8-64.6-62.2111.800122
403P28.1Very low27Very low113 Ų113144.4 Ų144.473%0.73478%0.778SS**  trans-90.3145.2173.436.4-33.2000113.6
404I25Very low26.9Very low163 Ų163144.9 Ų144.984%0.83677%0.771SS**  trans-125.2106.1168.8-63.1-177.1000111.1
405Y25.3Very low26.7Very low210 Ų210145.1 Ų145.182%0.82477%0.769SS**  trans37.8136140.1-101.4-100.6000122.5
406S25.4Very low26.7Very low103 Ų103141.1 Ų141.172%0.7277%0.767SS**  trans80.7156.113991.90000117.7
407V26.2Very low27.1Very low118 Ų118139.7 Ų139.772%0.71577%0.765SS**  cis-161148.8-121120000111.1
408I26.6Very low27.2Very low131 Ų131140.8 Ų140.867%0.67277%0.773SS**  trans30.3123.1154.8-54.1161.4000119.3
409H26.9Very low27.5Very low182 Ų182138.5 Ų138.584%0.84377%0.766SS**  -166.7161.3112.6-104.5-74.9000114.3
410K24.5Very low27.5Very low189 Ų189141.1 Ų141.182%0.82277%0.766SS**  trans-134.7176.2-174.3-95.6-175.3-179.8-179.90107.7
411P42.6Very low27.6Very low125 Ų125138.1 Ų138.181%0.81276%0.756SS**  cis-138.5-170.7-29.538.5-20000113.5
412G24.5Very low27.7Very low71 Ų71144.5 Ų144.573%0.73276%0.761SS**  trans106156.5156.200000116.9
413D27Very low27.6Very low153 Ų153139.4 Ų139.482%0.81876%0.755SS**  cis-158.1157.6-12-148.5-34.3000113
414S24.8Very low27.5Very low79 Ų79143.9 Ų143.955%0.55276%0.763SS**  trans17.7135.5163.529.90000127.5
415K22.9Very low27.4Very low195 Ų195141.7 Ų141.785%0.84876%0.761SS**  trans84.1109.1132.4-70.4165.3-172.81690123.3
416A26.7Very low27.8Very low94 Ų94138 Ų13878%0.77776%0.763SS**  24.3146.5110.300000120.5
417P35.2Very low27.9Very low113 Ų113137.9 Ų137.973%0.73476%0.762SS**  -153.4170.454.342.4-21.6000120.8
418Q28.4Very low28.5Very low192 Ų192138.3 Ų138.390%0.89777%0.768SS**  trans17.9165.7140.4-47.7-178.5-44.700122.5
419A31.2Very low28.5Very low68 Ų68136.4 Ų136.456%0.56277%0.771SS**  cis-166.7-177.927.200000116.2
420H27.2Very low29.1Very low158 Ų158133.5 Ų133.573%0.73177%0.768SS**  trans84.4144.2156.2-54-45.6000120.2
421Y27.4Very low29.4Very low184 Ų184132.5 Ų132.572%0.72277%0.771SS**  cis-165148.4-13.4-120.5-42.3000114
422R28.8Very low28.6Very low222 Ų222132.1 Ų132.184%0.83877%0.77SS**  trans62.2150.4157.6-62.6-176.8178.4-157.1-1.5119.4
423G24.9Very low29Very low65 Ų65137.9 Ų137.967%0.6778%0.778SS**  cis167.9165-10.700000115.6
424F26.3Very low29.1Very low206 Ų206133.6 Ų133.690%0.90477%0.77SS**  trans83144.6173.8-68.3-82.6000120.6
425C22.5Very low29.8Very low118 Ų118136.3 Ų136.380%0.79779%0.786SS**  trans-136.7173.4-176.5-51.70000110.2
426P33.2Very low30.3Very low131 Ų131133.5 Ų133.585%0.85178%0.779SS**  -141.917390.937.9-23000115.5
427S28.1Very low30.9Very low102 Ų102135.3 Ų135.371%0.71378%0.783SS**  trans-128.5171.7174.665.40000110.6
428P37.8Very low31Very low127 Ų127138.5 Ų138.583%0.82579%0.786SS**  -144.6166.681.832.6-13.6000114.4
429A27.7Very low31.8Very low90 Ų90133.1 Ų133.174%0.74477%0.77SS**  cis-157.9156.9-17.400000109.4
430P40.1Very low32.8Very low121 Ų121132.2 Ų132.279%0.78677%0.766SS**  trans-111.6150.4-172.639.3-31.9000116.4
431L29.5Very low34.4Very low168 Ų168133.1 Ų133.188%0.8876%0.763SS**  trans-147.2138.6160.7-75.5173.6000106.4
432C27Very low36.9Very low118 Ų118130.6 Ų130.680%0.79776%0.758SS**  cis-132.31731-86.90000111.2
433Q31.3Very low39.8Very low191 Ų191123.2 Ų123.289%0.89374%0.739SS**PPolyproline II helixtrans-82.9158.3177.1-66.4167.6-20.400112.6
434G29.7Very low43Very low64 Ų64123.5 Ų123.566%0.6672%0.72SS**PPolyproline II helixtrans-72.8159168.600000113
435P40.3Very low46.2Very low135 Ų135120.5 Ų120.588%0.87771%0.707SS**PPolyproline II helixtrans-75.6144.4-170.629.7-35.3000114.2
436L32.2Very low49.6Very low136 Ų136114.9 Ų114.971%0.71267%0.669SS**PPolyproline II helixtrans-84.9159.9174.7-70.4168.3000112.1F438L436-F438 PolarHBondContact O-N 2.8Å; L436-F438 VanDerWaalsContact O-N 3.1Å
437P40.5Very low52.5Low132 Ų132111.5 Ų111.586%0.85765%0.645SS**  trans-69.5103.7171.329-34.4000111
438F37.5Very low55.6Low181 Ų181106.8 Ų106.879%0.79461%0.612SS**  trans-79.3141-179.9-95.8-89.3000113.6L436 G440L436-F438 PolarHBondContact O-N 2.8Å; L436-F438 VanDerWaalsContact O-N 3.1Å; F438-G440 PolarHBondContact O-N 3.24Å; F438-G440 VanDerWaalsContact O-N 3.15Å
439S44.5Very low58.1Low79 Ų79106.3 Ų106.355%0.55260%0.599SS**  trans-68.8103.3176.843.60000111.9R441S439-R441 PolarHBondContact O-N 2.95Å
440G52Low60.9Low48 Ų48104.3 Ų104.350%0.49557%0.573SS.*THydrogen-bonded Turntrans-6837.4-179.700000116.3F438F438-G440 PolarHBondContact O-N 3.24Å; F438-G440 VanDerWaalsContact O-N 3.15Å
441R60.5Low62.8Low177 Ų177100.3 Ų100.367%0.66855%0.554SS**THydrogen-bonded Turntrans-121.7-9.4175.2-75.5-172.8167.8-177.7-4.6113.8S439 Q523 E527S439-R441 PolarHBondContact O-N 2.95Å; R441-Q523 PolarHBondContact O-NE2 2.99Å; R441-E527 IonicContact NH2-OE1 3.19Å; R441-E527 PolarHBondContact NH2-OE1 2.97Å
442E80.7Confident65Low132 Ų13298.6 Ų98.662%0.61756%0.556SS**SBendtrans-90.1149.1177.7-61.6-165146.600112.2R444E442-R444 PolarHBondContact O-N 3.44Å
443P89.7Confident67.2Low66 Ų6697.5 Ų97.543%0.42955%0.546SS..  trans-66.2121.8172.7-20.533.6000112L492 I521 A522 Q523P443-L492 HydrophobicContact CB-CD1 3.83Å; P443-L492 HydrophobicContact CG-CD1 3.77Å; P443-I521 HydrophobicContact CB-CG2 3.75Å; P443-A522 CarbonylContact C-O 3.6Å; P443-A522 WeakPolarHBondContact CA-O 3.18Å; P443-Q523 HydrophobicContact CB-CB 4.41Å; P443-Q523 HydrophobicContact CG-CB 4.38Å; P443-Q523 HydrophobicContact CG-CG 4.3Å
444R92.8Very high69.9Low71 Ų7189.5 Ų89.527%0.26851%0.514SS..EExtended strand (participates in β ladder)trans-104.5143.4177.665.3-167.3-173.8-74.46.2111.6E442 V446 E484 D489 I521 A522E442-R444 PolarHBondContact O-N 3.44Å; R444-V446 HydrophobicContact CG-CG2 4.23Å; R444-E484 PolarHBondContact NE-O 3.04Å; R444-E484 PolarHBondContact NH2-O 3.18Å; R444-D489 IonicContact CZ-OD1 3.49Å; R444-D489 VanDerWaalsContact CZ-OD1 3.3Å; R444-D489 IonicContact CZ-OD2 2.72Å; R444-D489 IonicContact NH1-OD1 3.67Å; R444-D489 PolarHBondContact NH1-OD1 3.33Å; R444-D489 IonicContact NH1-OD2 3.01Å; R444-D489 IonicContact NH2-OD1 2.69Å; R444-D489 PolarHBondContact NH2-OD1 3.28Å; R444-D489 IonicContact NH2-OD2 3.3Å; R444-D489 PolarHBondContact NH2-OD2 2.88Å; R444-I521 WeakPolarHBondContact O-CA 3.34Å; R444-A522 PolarHBondContact N-O 3.32Å; R444-A522 PolarHBondContact O-N 2.77Å
445K93.2Very high72.6Confident144 Ų14487.3 Ų87.363%0.62649%0.487SS*.EExtended strand (participates in β ladder)trans-91.8107.2177-177.6-163.5176.6-167.80108.9T519 I520K445-T519 HydrophobicContact CD-CG2 4.18Å; K445-T519 HydrophobicContact CG-CG2 3.74Å; K445-I520 CarbonylContact C-O 3.51Å; K445-I520 WeakPolarHBondContact CA-O 3.32Å
446V93.6Very high74.7Confident0 Ų081.2 Ų81.20%045%0.449CS..EExtended strand (participates in β ladder)trans-94.3142.3177179.70000109.4R444 L448 E484 L485 T519 I520 A522R444-V446 HydrophobicContact CG-CG2 4.23Å; V446-L448 HydrophobicContact CG1-CD2 3.79Å; V446-L448 HydrophobicContact CG1-CG 3.93Å; V446-E484 VanDerWaalsContact CA-OE2 3.3Å; V446-E484 WeakPolarHBondContact CA-OE2 3.26Å; V446-E484 HydrophobicContact CB-CB 4.42Å; V446-E484 HydrophobicContact CG1-CB 3.89Å; V446-E484 WeakPolarHBondContact CG1-OE2 3.39Å; V446-E484 HydrophobicContact CG2-CB 3.94Å; V446-L485 HydrophobicContact CG2-CD1 4.42Å; V446-T519 CarbonylContact O-C 3.36Å; V446-T519 WeakPolarHBondContact O-CA 3.47Å; V446-I520 HydrophobicContact CB-CB 4.37Å; V446-I520 PolarHBondContact N-O 3.49Å; V446-I520 PolarHBondContact O-N 3.37Å; V446-A522 HydrophobicContact CG2-CB 4.49Å
447V93.3Very high77.5Confident60 Ų6075.8 Ų75.836%0.36442%0.42SS..EExtended strand (participates in β ladder)trans-126.7112.7175.1-176.60000110.5E484 T517V447-E484 PolarHBondContact N-OE2 3.07Å; V447-T517 HydrophobicContact CG1-CG2 3.81Å
448L92.9Very high79.8Confident3 Ų373.8 Ų73.82%0.01640%0.402CS..EExtended strand (participates in β ladder)trans-112.1144.3-179.2-56.4-176.7000111.2V446 L455 F457 A479 V518 I520V446-L448 HydrophobicContact CG1-CD2 3.79Å; V446-L448 HydrophobicContact CG1-CG 3.93Å; L448-L455 HydrophobicContact CB-CD2 3.9Å; L448-L455 HydrophobicContact CD1-CD2 4.43Å; L448-F457 HydrophobicContact CD1-CD1 4.16Å; L448-F457 HydrophobicContact CD1-CE1 3.88Å; L448-A479 HydrophobicContact CD1-CB 3.88Å; L448-V518 PolarHBondContact N-O 3.3Å; L448-V518 PolarHBondContact O-N 3.48Å; L448-I520 HydrophobicContact CD1-CD1 3.95Å
449H90.4Very high82.4Confident117 Ų11766.4 Ų66.454%0.54237%0.37SS..EExtended strand (participates in β ladder)trans-100.2141.2166.1-64.5-84.2000109.5G451 P478 Q516 T517H449-G451 PolarHBondContact O-N 3.25Å; H449-P478 WeakPolarHBondContact O-CB 3.36Å; H449-P478 WeakPolarHBondContact O-CG 3.44Å; H449-Q516 CarbonylContact C-O 3.51Å; H449-Q516 WeakPolarHBondContact CA-O 3.25Å; H449-T517 PolarHBondContact CE1-OG1 3.28Å; H449-T517 VanDerWaalsContact CE1-OG1 3.32Å; H449-T517 PolarHBondContact ND1-OG1 3.38Å; H449-T517 VanDerWaalsContact ND1-OG1 3.15Å
450K87.4Confident84.3Confident48 Ų4864.6 Ų64.621%0.20936%0.356CS..  trans-73.1125.2176-75.1-179.2-178.3150.30110.4G454 L455 L511 K512 G515 Q516 V518K450-G454 WeakPolarHBondContact CA-O 3.48Å; K450-L455 HydrophobicContact CG-CD2 3.51Å; K450-L455 HydrophobicContact CG-CG 3.89Å; K450-L511 WeakPolarHBondContact CE-O 3.45Å; K450-L511 PolarHBondContact NZ-O 2.97Å; K450-K512 PolarHBondContact NZ-O 2.86Å; K450-G515 VanDerWaalsContact CD-O 3.27Å; K450-G515 WeakPolarHBondContact CD-O 3.41Å; K450-G515 VanDerWaalsContact CE-O 3.31Å; K450-G515 WeakPolarHBondContact CE-O 3.29Å; K450-G515 PolarHBondContact NZ-O 3.14Å; K450-Q516 PolarHBondContact N-O 3.32Å; K450-V518 HydrophobicContact CG-CG2 4.42Å
451G79.5Confident85.9Confident36 Ų3662.6 Ų62.637%0.37134%0.336SS..BIsolated β-bridgetrans-82.1-177.116500000111.5H449 T453 G454H449-G451 PolarHBondContact O-N 3.25Å; G451-T453 PolarHBondContact O-N 2.87Å; G451-T453 VanDerWaalsContact O-N 3.15Å; G451-G454 PolarHBondContact N-O 3.07Å; G451-G454 PolarHBondContact O-N 2.63Å
452S75.6Confident87.1Confident132 Ų13254.7 Ų54.792%0.92331%0.309SS*.THydrogen-bonded Turntrans-56.8-27176.149.40000113.8
453T73.6Confident86.9Confident96 Ų9654.4 Ų54.459%0.58931%0.308SS*.THydrogen-bonded Turntrans-99.89.717754.70000113.8G451G451-T453 PolarHBondContact O-N 2.87Å; G451-T453 VanDerWaalsContact O-N 3.15Å
454G87.2Confident86.1Confident23 Ų2358.6 Ų58.624%0.23733%0.326CS..BIsolated β-bridgetrans92.1-137.5-176.600000113K450 G451K450-G454 WeakPolarHBondContact CA-O 3.48Å; G451-G454 PolarHBondContact N-O 3.07Å; G451-G454 PolarHBondContact O-N 2.63Å
455L87.6Confident85Confident17 Ų1758.2 Ų58.29%0.08934%0.344CS..SBendtrans-93.2-13.2-172.4-65.8171000114.7L448 K450 F457 A479 L511 V518L448-L455 HydrophobicContact CB-CD2 3.9Å; L448-L455 HydrophobicContact CD1-CD2 4.43Å; K450-L455 HydrophobicContact CG-CD2 3.51Å; K450-L455 HydrophobicContact CG-CG 3.89Å; L455-F457 HydrophobicContact CB-CD1 3.77Å; L455-F457 HydrophobicContact CB-CE1 3.58Å; L455-F457 HydrophobicContact CD1-CE1 3.82Å; L455-F457 HydrophobicContact CD1-CZ 4.23Å; L455-F457 HydrophobicContact CG-CE1 4.3Å; L455-A479 WeakPolarHBondContact O-CB 3.41Å; L455-A479 PolarHBondContact O-N 3.45Å; L455-L511 HydrophobicContact CD1-CD2 3.84Å; L455-V518 HydrophobicContact CD1-CB 4.3Å; L455-V518 HydrophobicContact CD1-CG1 4.09Å; L455-V518 HydrophobicContact CD1-CG2 4.17Å; L455-V518 HydrophobicContact CD2-CB 3.98Å; L455-V518 HydrophobicContact CD2-CG2 3.83Å
456G84.8Confident84.5Confident7 Ų754.2 Ų54.27%0.07233%0.328CS..SBendtrans73.632.317900000115.3L474G456-L474 WeakPolarHBondContact O-CB 3.4Å; G456-L474 PolarHBondContact O-N 3.19Å
457F91.2Very high84.2Confident22 Ų2254.2 Ų54.210%0.09633%0.328CS..EExtended strand (participates in β ladder)trans-150.5155.3169.972-89.6000111.8L448 L455 I459 V470 F472 I473 A479 L485 I491 L511 I520L448-F457 HydrophobicContact CD1-CD1 4.16Å; L448-F457 HydrophobicContact CD1-CE1 3.88Å; L455-F457 HydrophobicContact CB-CD1 3.77Å; L455-F457 HydrophobicContact CB-CE1 3.58Å; L455-F457 HydrophobicContact CD1-CE1 3.82Å; L455-F457 HydrophobicContact CD1-CZ 4.23Å; L455-F457 HydrophobicContact CG-CE1 4.3Å; F457-I459 HydrophobicContact CD2-CG2 4.07Å; F457-I459 HydrophobicContact CE2-CG2 3.66Å; F457-V470 HydrophobicContact CB-CG1 4.25Å; F457-V470 HydrophobicContact CD2-CG1 4.22Å; F457-V470 HydrophobicContact CD2-CG2 4.09Å; F457-V470 HydrophobicContact CE2-CG2 4.33Å; F457-F472 CarbonylContact C-O 3.52Å; F457-F472 VanDerWaalsContact CA-O 3.25Å; F457-F472 WeakPolarHBondContact CA-O 3.19Å; F457-F472 WeakPolarHBondContact CB-O 3.43Å; F457-I473 HydrophobicContact CB-CG1 4.04Å; F457-A479 HydrophobicContact CB-CB 4.14Å; F457-A479 HydrophobicContact CD1-CB 3.89Å; F457-A479 HydrophobicContact CG-CB 4.45Å; F457-L485 HydrophobicContact CB-CD2 4.06Å; F457-L485 HydrophobicContact CD1-CD2 3.58Å; F457-L485 HydrophobicContact CD2-CD2 3.95Å; F457-L485 HydrophobicContact CE1-CD2 3.9Å; F457-L485 HydrophobicContact CE2-CD2 4.26Å; F457-L485 HydrophobicContact CG-CD2 3.59Å; F457-L485 HydrophobicContact CZ-CD2 4.23Å; F457-I491 HydrophobicContact CE2-CD1 3.79Å; F457-I491 HydrophobicContact CZ-CD1 4.32Å; F457-L511 HydrophobicContact CE2-CD1 4.13Å; F457-L511 HydrophobicContact CZ-CD1 4.09Å; F457-L511 HydrophobicContact CZ-CD2 3.78Å; F457-I520 HydrophobicContact CE1-CD1 3.64Å; F457-I520 HydrophobicContact CZ-CD1 3.54Å
458N88.5Confident84.3Confident90 Ų9051.4 Ų51.448%0.48131%0.311SS..EExtended strand (participates in β ladder)trans-107.2152.1177.1-61.7-7000110.8V470 S471 F472N458-V470 WeakPolarHBondContact O-CA 3.44Å; N458-S471 WeakPolarHBondContact CB-OG 3.3Å; N458-S471 PolarHBondContact O-N 2.85Å; N458-S471 PolarHBondContact O-OG 3.48Å; N458-F472 HydrophobicContact CB-CB 4.12Å; N458-F472 PolarHBondContact N-O 3.2Å
459I91.8Very high84.3Confident26 Ų2651.4 Ų51.413%0.13331%0.311CS..EExtended strand (participates in β ladder)trans-116.6153.5174.460.1164.6000111.9F457 I468 F469 I491 H504 A507 A508 L511F457-I459 HydrophobicContact CD2-CG2 4.07Å; F457-I459 HydrophobicContact CE2-CG2 3.66Å; I459-I468 HydrophobicContact CB-CG2 4.05Å; I459-I468 HydrophobicContact CD1-CG2 4.1Å; I459-I468 HydrophobicContact CG2-CG2 4.15Å; I459-F469 CarbonylContact C-O 3.59Å; I459-F469 VanDerWaalsContact CA-O 3.25Å; I459-F469 WeakPolarHBondContact CA-O 3.42Å; I459-I491 HydrophobicContact CG2-CD1 3.67Å; I459-H504 PolarHBondContact O-CE1 2.96Å; I459-A507 HydrophobicContact CD1-CB 3.81Å; I459-A508 HydrophobicContact CD1-CB 4.42Å; I459-L511 HydrophobicContact CD1-CD1 4.11Å; I459-L511 HydrophobicContact CG2-CD1 4.05Å
460V83.1Confident84.3Confident42 Ų4245.8 Ų45.826%0.25529%0.285SS..EExtended strand (participates in β ladder)trans-141.4169.3172.4-650000110.3I468 F469 Y529 F532V460-I468 WeakPolarHBondContact O-CA 3.49Å; V460-F469 HydrophobicContact CG2-CB 4.26Å; V460-F469 PolarHBondContact N-O 2.66Å; V460-F469 PolarHBondContact O-N 2.92Å; V460-Y529 HydrophobicContact CG2-CE2 3.99Å; V460-F532 HydrophobicContact CB-CE1 4.04Å; V460-F532 HydrophobicContact CB-CZ 4.47Å; V460-F532 HydrophobicContact CG2-CD1 4.34Å; V460-F532 HydrophobicContact CG2-CE1 3.72Å
461G87.3Confident84.2Confident6 Ų644.6 Ų44.66%0.06228%0.283CS..  trans79.2-172.3-175.300000112.7G467 H504G461-G467 WeakPolarHBondContact CA-O 3.36Å; G461-H504 WeakPolarHBondContact O-CB 3.48Å; G461-H504 PolarHBondContact O-ND1 2.8Å
462G84.5Confident84.3Confident10 Ų1047.8 Ų47.810%0.10329%0.286CS..  trans90.918.7-16800000114.4E466 T503 H504G462-E466 WeakPolarHBondContact CA-O 3.23Å; G462-E466 PolarHBondContact N-O 3.01Å; G462-T503 WeakPolarHBondContact O-CA 3.42Å; G462-H504 PolarHBondContact O-N 3.06Å
463E76.4Confident84.6Confident127 Ų12743 Ų4359%0.59325%0.25SS*.SBendtrans-114.9150.2170.3-67.8171.3154.900108.1G465 E466E463-G465 PolarHBondContact O-N 3.09Å; E463-E466 VanDerWaalsContact O-CB 3.26Å; E463-E466 WeakPolarHBondContact O-CB 3.42Å; E463-E466 WeakPolarHBondContact O-CG 3.37Å; E463-E466 PolarHBondContact O-N 3.12Å
464D72.8Confident84.6Confident154 Ų15441 Ų4182%0.82424%0.235SC*.THydrogen-bonded Turntrans50.518.9-177.7-58.8-21.8000116.9E466D464-E466 VanDerWaalsContact C-N 3.33Å
465G69.8Low83.7Confident63 Ų6343 Ų4365%0.64925%0.249SC*.THydrogen-bonded Turntrans82.15.4-174.300000114.9E463E463-G465 PolarHBondContact O-N 3.09Å
466E82.9Confident82.9Confident59 Ų5944.5 Ų44.528%0.27627%0.27SS..PPolyproline II helixtrans-61.7146.6169.8-61.9-69.6-178.500111G462 E463 D464 F532 K535G462-E466 WeakPolarHBondContact CA-O 3.23Å; G462-E466 PolarHBondContact N-O 3.01Å; E463-E466 VanDerWaalsContact O-CB 3.26Å; E463-E466 WeakPolarHBondContact O-CB 3.42Å; E463-E466 WeakPolarHBondContact O-CG 3.37Å; E463-E466 PolarHBondContact O-N 3.12Å; D464-E466 VanDerWaalsContact C-N 3.33Å; E466-F532 HydrophobicContact CB-CD2 4.01Å; E466-F532 HydrophobicContact CB-CE2 4.08Å; E466-F532 HydrophobicContact CG-CD2 3.98Å; E466-F532 HydrophobicContact CG-CE2 4.19Å; E466-K535 IonicContact OE1-NZ 2.97Å; E466-K535 PolarHBondContact OE1-NZ 2.62Å
467G88.3Confident82.6Confident0 Ų044.4 Ų44.40%027%0.268CS..PPolyproline II helixtrans-65.6157.2-179.300000113.9G461 F469G461-G467 WeakPolarHBondContact CA-O 3.36Å; G467-F469 WeakPolarHBondContact O-CD2 3.44Å; G467-F469 WeakPolarHBondContact O-CE2 3.49Å
468I94Very high82.5Confident2 Ų244.8 Ų44.81%0.0127%0.273CS..PPolyproline II helixtrans-77.9118.1165.4-55.6-65.2000108.6I459 V460 R490 I491 A507I459-I468 HydrophobicContact CB-CG2 4.05Å; I459-I468 HydrophobicContact CD1-CG2 4.1Å; I459-I468 HydrophobicContact CG2-CG2 4.15Å; V460-I468 WeakPolarHBondContact O-CA 3.49Å; I468-R490 CarbonylContact O-C 3.48Å; I468-R490 WeakPolarHBondContact O-CA 3.12Å; I468-I491 HydrophobicContact CB-CB 4.46Å; I468-I491 HydrophobicContact CG2-CB 4.19Å; I468-I491 HydrophobicContact CG2-CD1 4.28Å; I468-I491 PolarHBondContact O-N 2.83Å; I468-A507 HydrophobicContact CB-CB 4.49Å; I468-A507 HydrophobicContact CD1-CB 3.6Å; I468-A507 HydrophobicContact CG1-CB 3.74Å; I468-A507 HydrophobicContact CG2-CB 4Å
469F93.4Very high82.5Confident2 Ų240.5 Ų40.51%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-119.1147.1-179.8-62.8-86.9000112.5I459 V460 G467 S471 D489 R490 R525 E528 Y529I459-F469 CarbonylContact C-O 3.59Å; I459-F469 VanDerWaalsContact CA-O 3.25Å; I459-F469 WeakPolarHBondContact CA-O 3.42Å; V460-F469 HydrophobicContact CG2-CB 4.26Å; V460-F469 PolarHBondContact N-O 2.66Å; V460-F469 PolarHBondContact O-N 2.92Å; G467-F469 WeakPolarHBondContact O-CD2 3.44Å; G467-F469 WeakPolarHBondContact O-CE2 3.49Å; F469-S471 PolarHBondContact O-N 2.94Å; F469-D489 CarbonylContact C-O 3.59Å; F469-D489 VanDerWaalsContact CA-O 3.3Å; F469-D489 WeakPolarHBondContact CA-O 3.47Å; F469-R490 HydrophobicContact CD1-CB 3.78Å; F469-R490 HydrophobicContact CD1-CG 4.17Å; F469-R490 HydrophobicContact CE1-CB 3.65Å; F469-R490 HydrophobicContact CE1-CG 3.88Å; F469-R490 HydrophobicContact CZ-CB 4.48Å; F469-R490 HydrophobicContact CZ-CG 4.24Å; F469-R525 HydrophobicContact CE1-CB 4.18Å; F469-E528 HydrophobicContact CE1-CB 3.96Å; F469-E528 HydrophobicContact CZ-CB 3.8Å; F469-Y529 HydrophobicContact CB-CD2 3.61Å; F469-Y529 HydrophobicContact CB-CE2 4.19Å; F469-Y529 HydrophobicContact CD1-CD2 4.29Å; F469-Y529 AromaticContact CG-CD2 3.92Å; F469-Y529 HydrophobicContact CG-CD2 3.92Å
470V91.4Very high82.1Confident0 Ų042.9 Ų42.90%026%0.263CS..EExtended strand (participates in β ladder)trans-75.6112.4169.5179.40000109.3F457 N458 I473 L485 R487 G488 D489 I491F457-V470 HydrophobicContact CB-CG1 4.25Å; F457-V470 HydrophobicContact CD2-CG1 4.22Å; F457-V470 HydrophobicContact CD2-CG2 4.09Å; F457-V470 HydrophobicContact CE2-CG2 4.33Å; N458-V470 WeakPolarHBondContact O-CA 3.44Å; V470-I473 HydrophobicContact CG1-CD1 4.23Å; V470-I473 HydrophobicContact CG1-CG1 3.85Å; V470-L485 HydrophobicContact CG1-CD2 4.35Å; V470-L485 HydrophobicContact CG2-CD1 4.22Å; V470-L485 HydrophobicContact CG2-CD2 4.01Å; V470-L485 HydrophobicContact CG2-CG 4.14Å; V470-R487 WeakPolarHBondContact O-CA 3.33Å; V470-G488 PolarHBondContact O-N 3.15Å; V470-D489 HydrophobicContact CB-CB 4.31Å; V470-D489 HydrophobicContact CG2-CB 4.02Å; V470-D489 PolarHBondContact N-O 3.44Å; V470-I491 HydrophobicContact CG2-CD1 4Å; V470-I491 HydrophobicContact CG2-CG1 4.06Å
471S84.8Confident82.1Confident23 Ų2347.2 Ų47.216%0.16128%0.284CS..EExtended strand (participates in β ladder)trans-90.3-29.9-17954.60000113.9N458 F469 R487N458-S471 WeakPolarHBondContact CB-OG 3.3Å; N458-S471 PolarHBondContact O-N 2.85Å; N458-S471 PolarHBondContact O-OG 3.48Å; F469-S471 PolarHBondContact O-N 2.94Å; S471-R487 WeakPolarHBondContact O-CD 3.47Å; S471-R487 WeakPolarHBondContact O-CG 3.5Å; S471-R487 PolarHBondContact O-NE 3Å
472F82.1Confident82Confident102 Ų10248.8 Ų48.845%0.44729%0.294SS..EExtended strand (participates in β ladder)trans-151.7149.4-175174.6-100.4000110.2F457 N458 L474F457-F472 CarbonylContact C-O 3.52Å; F457-F472 VanDerWaalsContact CA-O 3.25Å; F457-F472 WeakPolarHBondContact CA-O 3.19Å; F457-F472 WeakPolarHBondContact CB-O 3.43Å; N458-F472 HydrophobicContact CB-CB 4.12Å; N458-F472 PolarHBondContact N-O 3.2Å; F472-L474 HydrophobicContact CE1-CB 4.03Å; F472-L474 HydrophobicContact CE1-CD1 4.24Å
473I80.7Confident82.1Confident32 Ų3250.6 Ų50.616%0.16431%0.313CS..EExtended strand (participates in β ladder)trans-127130.6172.4-66.1-178.5000107.4F457 V470 A475 A479 D480 L485 R486F457-I473 HydrophobicContact CB-CG1 4.04Å; V470-I473 HydrophobicContact CG1-CD1 4.23Å; V470-I473 HydrophobicContact CG1-CG1 3.85Å; I473-A475 PolarHBondContact O-N 3.19Å; I473-A479 HydrophobicContact CG2-CB 4.15Å; I473-D480 HydrophobicContact CG2-CB 3.77Å; I473-L485 VanDerWaalsContact CD1-C 3.4Å; I473-L485 HydrophobicContact CD1-CB 4.11Å; I473-L485 HydrophobicContact CD1-CD2 4.46Å; I473-L485 HydrophobicContact CD1-CG 4.26Å; I473-L485 WeakPolarHBondContact CD1-O 3.46Å; I473-R486 VanDerWaalsContact CD1-CA 3.49Å
474L73.4Confident82.6Confident54 Ų5449 Ų4928%0.28331%0.305SS..  trans-80.6113.8-179.1179.966.7000109.2G456 F472 G476 G477 D480G456-L474 WeakPolarHBondContact O-CB 3.4Å; G456-L474 PolarHBondContact O-N 3.19Å; F472-L474 HydrophobicContact CE1-CB 4.03Å; F472-L474 HydrophobicContact CE1-CD1 4.24Å; L474-G476 PolarHBondContact O-N 3.46Å; L474-G477 WeakPolarHBondContact O-CA 3.29Å; L474-G477 PolarHBondContact O-N 3.05Å; L474-D480 VanDerWaalsContact O-CB 3.31Å; L474-D480 WeakPolarHBondContact O-CB 3.46Å
475A68.2Low83.4Confident64 Ų6442 Ų4253%0.52927%0.268SS..THydrogen-bonded Turntrans-54.7132.617700000111.6I473 G477 D480I473-A475 PolarHBondContact O-N 3.19Å; A475-G477 PolarHBondContact O-N 3.23Å; A475-D480 WeakPolarHBondContact CA-OD2 3.46Å
476G71.2Confident84.3Confident50 Ų5046.2 Ų46.252%0.51526%0.264SS..THydrogen-bonded Turntrans70.5-0.4-172.500000115.4L474 D480 L481L474-G476 PolarHBondContact O-N 3.46Å; G476-D480 PolarHBondContact N-OD2 2.9Å; G476-L481 WeakPolarHBondContact O-CD1 3.35Å
477G79.2Confident84.6Confident4 Ų449.4 Ų49.44%0.04127%0.274CS..SBendtrans-79.2165.7170.900000112.4L474 A475 A479 D480 L481L474-G477 WeakPolarHBondContact O-CA 3.29Å; L474-G477 PolarHBondContact O-N 3.05Å; A475-G477 PolarHBondContact O-N 3.23Å; G477-A479 VanDerWaalsContact C-N 3.3Å; G477-A479 PolarHBondContact O-N 3.16Å; G477-D480 WeakPolarHBondContact O-CB 3.17Å; G477-D480 PolarHBondContact O-N 3.36Å; G477-L481 WeakPolarHBondContact O-CG 3.15Å; G477-L481 PolarHBondContact O-N 3.37Å
478P88.1Confident84.5Confident30 Ų3049.4 Ų49.420%0.19527%0.274CS..Hα-helixtrans-58-35.1-173.8-2835.9000115.4H449 S482H449-P478 WeakPolarHBondContact O-CB 3.36Å; H449-P478 WeakPolarHBondContact O-CG 3.44Å; P478-S482 PolarHBondContact O-N 3.44Å; P478-S482 VanDerWaalsContact O-N 3.14Å
479A88.4Confident84.4Confident0 Ų049.3 Ų49.30%027%0.273CS..Hα-helixtrans-66-39.1173.900000113.1L448 L455 F457 I473 G477 S482 L485L448-A479 HydrophobicContact CD1-CB 3.88Å; L455-A479 WeakPolarHBondContact O-CB 3.41Å; L455-A479 PolarHBondContact O-N 3.45Å; F457-A479 HydrophobicContact CB-CB 4.14Å; F457-A479 HydrophobicContact CD1-CB 3.89Å; F457-A479 HydrophobicContact CG-CB 4.45Å; I473-A479 HydrophobicContact CG2-CB 4.15Å; G477-A479 VanDerWaalsContact C-N 3.3Å; G477-A479 PolarHBondContact O-N 3.16Å; A479-S482 PolarHBondContact O-N 3.01Å; A479-S482 PolarHBondContact O-OG 3.49Å; A479-L485 HydrophobicContact CB-CB 4.43Å; A479-L485 HydrophobicContact CB-CD2 4.03Å
480D84.7Confident84.5Confident76 Ų7651.6 Ų51.641%0.40628%0.282SS..Hα-helixtrans-69.3-48.6177.2-17257.4000111.2I473 L474 A475 G476 G477 S482 G483I473-D480 HydrophobicContact CG2-CB 3.77Å; L474-D480 VanDerWaalsContact O-CB 3.31Å; L474-D480 WeakPolarHBondContact O-CB 3.46Å; A475-D480 WeakPolarHBondContact CA-OD2 3.46Å; G476-D480 PolarHBondContact N-OD2 2.9Å; G477-D480 WeakPolarHBondContact O-CB 3.17Å; G477-D480 PolarHBondContact O-N 3.36Å; D480-S482 PolarHBondContact O-N 3.3Å; D480-S482 VanDerWaalsContact O-N 3.12Å; D480-G483 PolarHBondContact O-N 2.83Å
481L82.1Confident84.6Confident134 Ų13451.6 Ų51.670%0.70228%0.282SS*.Hα-helixtrans-60.8-21.6176.5-65.3176.2000113.4G476 G477G476-L481 WeakPolarHBondContact O-CD1 3.35Å; G477-L481 WeakPolarHBondContact O-CG 3.15Å; G477-L481 PolarHBondContact O-N 3.37Å
482S86.2Confident85.1Confident39 Ų3950.7 Ų50.727%0.27328%0.275SS..Hα-helixtrans-74.7-31.3171.679.90000113.2P478 A479 D480 E484P478-S482 PolarHBondContact O-N 3.44Å; P478-S482 VanDerWaalsContact O-N 3.14Å; A479-S482 PolarHBondContact O-N 3.01Å; A479-S482 PolarHBondContact O-OG 3.49Å; D480-S482 PolarHBondContact O-N 3.3Å; D480-S482 VanDerWaalsContact O-N 3.12Å; S482-E484 PolarHBondContact O-N 3.05Å; S482-E484 PolarHBondContact OG-N 2.8Å; S482-E484 VanDerWaalsContact OG-N 3.15Å
483G84.9Confident85.7Confident48 Ų4846.4 Ų46.450%0.49526%0.258SS..SBendtrans62.9-7.3-167.800000115.8D480D480-G483 PolarHBondContact O-N 2.83Å
484E87.3Confident86.4Confident92 Ų9245 Ų4543%0.4325%0.25SS..  trans-82.1-32.4-172.2-66.9-170.5150.100112.9R444 V446 V447 S482R444-E484 PolarHBondContact NE-O 3.04Å; R444-E484 PolarHBondContact NH2-O 3.18Å; V446-E484 VanDerWaalsContact CA-OE2 3.3Å; V446-E484 WeakPolarHBondContact CA-OE2 3.26Å; V446-E484 HydrophobicContact CB-CB 4.42Å; V446-E484 HydrophobicContact CG1-CB 3.89Å; V446-E484 WeakPolarHBondContact CG1-OE2 3.39Å; V446-E484 HydrophobicContact CG2-CB 3.94Å; V447-E484 PolarHBondContact N-OE2 3.07Å; S482-E484 PolarHBondContact O-N 3.05Å; S482-E484 PolarHBondContact OG-N 2.8Å; S482-E484 VanDerWaalsContact OG-N 3.15Å
485L91Very high87.2Confident7 Ų745.9 Ų45.94%0.03726%0.256CS..  trans-93.9147.3179.5-158.172.8000111.2V446 F457 V470 I473 A479 D489 A522V446-L485 HydrophobicContact CG2-CD1 4.42Å; F457-L485 HydrophobicContact CB-CD2 4.06Å; F457-L485 HydrophobicContact CD1-CD2 3.58Å; F457-L485 HydrophobicContact CD2-CD2 3.95Å; F457-L485 HydrophobicContact CE1-CD2 3.9Å; F457-L485 HydrophobicContact CE2-CD2 4.26Å; F457-L485 HydrophobicContact CG-CD2 3.59Å; F457-L485 HydrophobicContact CZ-CD2 4.23Å; V470-L485 HydrophobicContact CG1-CD2 4.35Å; V470-L485 HydrophobicContact CG2-CD1 4.22Å; V470-L485 HydrophobicContact CG2-CD2 4.01Å; V470-L485 HydrophobicContact CG2-CG 4.14Å; I473-L485 VanDerWaalsContact CD1-C 3.4Å; I473-L485 HydrophobicContact CD1-CB 4.11Å; I473-L485 HydrophobicContact CD1-CD2 4.46Å; I473-L485 HydrophobicContact CD1-CG 4.26Å; I473-L485 WeakPolarHBondContact CD1-O 3.46Å; A479-L485 HydrophobicContact CB-CB 4.43Å; A479-L485 HydrophobicContact CB-CD2 4.03Å; L485-D489 HydrophobicContact CD1-CB 4.45Å; L485-A522 HydrophobicContact CD1-CB 3.86Å
486R88.8Confident88.1Confident152 Ų15246.2 Ų46.257%0.57427%0.266SS*.  trans-141.8149.8-177.8-64.4-172.8174.1-158.9-6.1112.5I473 G488 D489 Y524I473-R486 VanDerWaalsContact CD1-CA 3.49Å; R486-G488 PolarHBondContact O-N 3.46Å; R486-D489 PolarHBondContact N-OD2 3.37Å; R486-D489 VanDerWaalsContact O-CB 3.31Å; R486-D489 WeakPolarHBondContact O-CB 3.45Å; R486-D489 PolarHBondContact O-N 3.37Å; R486-Y524 HydrophobicContact CB-CD2 4.35Å; R486-Y524 HydrophobicContact CB-CE2 4.32Å
487R88.6Confident89Confident126 Ų12647.7 Ų47.748%0.47526%0.264SS..THydrogen-bonded Turntrans-56.6132.1168177.7176.2178.8-171.7-7.1109.4V470 S471 Y524 Y529 E533V470-R487 WeakPolarHBondContact O-CA 3.33Å; S471-R487 WeakPolarHBondContact O-CD 3.47Å; S471-R487 WeakPolarHBondContact O-CG 3.5Å; S471-R487 PolarHBondContact O-NE 3Å; R487-Y524 WeakPolarHBondContact O-CE2 3.2Å; R487-Y529 HydrophobicContact CG-CE1 3.85Å; R487-Y529 PolarHBondContact NE-OH 2.89Å; R487-Y529 PolarHBondContact NH2-OH 3.29Å; R487-Y529 VanDerWaalsContact NH2-OH 3.12Å; R487-E533 IonicContact CZ-OE1 3.38Å; R487-E533 IonicContact CZ-OE2 2.72Å; R487-E533 IonicContact NH2-OE1 3.1Å; R487-E533 PolarHBondContact NH2-OE1 2.94Å; R487-E533 IonicContact NH2-OE2 3.39Å; R487-E533 PolarHBondContact NH2-OE2 3.19Å
488G84.9Confident89.6Confident0 Ų052.3 Ų52.30%029%0.288CS..THydrogen-bonded Turntrans86.66.6-172.800000115V470 R486 R525V470-G488 PolarHBondContact O-N 3.15Å; R486-G488 PolarHBondContact O-N 3.46Å; G488-R525 CarbonylContact O-C 3.59Å; G488-R525 PolarHBondContact O-N 3.46Å
489D93.5Very high89.9Confident0 Ų051 Ų510%028%0.279CS..EExtended strand (participates in β ladder)trans-70.8127.9162.7-82-33.7000111.3R444 F469 V470 L485 R486 A522 Y524R444-D489 IonicContact CZ-OD1 3.49Å; R444-D489 VanDerWaalsContact CZ-OD1 3.3Å; R444-D489 IonicContact CZ-OD2 2.72Å; R444-D489 IonicContact NH1-OD1 3.67Å; R444-D489 PolarHBondContact NH1-OD1 3.33Å; R444-D489 IonicContact NH1-OD2 3.01Å; R444-D489 IonicContact NH2-OD1 2.69Å; R444-D489 PolarHBondContact NH2-OD1 3.28Å; R444-D489 IonicContact NH2-OD2 3.3Å; R444-D489 PolarHBondContact NH2-OD2 2.88Å; F469-D489 CarbonylContact C-O 3.59Å; F469-D489 VanDerWaalsContact CA-O 3.3Å; F469-D489 WeakPolarHBondContact CA-O 3.47Å; V470-D489 HydrophobicContact CB-CB 4.31Å; V470-D489 HydrophobicContact CG2-CB 4.02Å; V470-D489 PolarHBondContact N-O 3.44Å; L485-D489 HydrophobicContact CD1-CB 4.45Å; R486-D489 PolarHBondContact N-OD2 3.37Å; R486-D489 VanDerWaalsContact O-CB 3.31Å; R486-D489 WeakPolarHBondContact O-CB 3.45Å; R486-D489 PolarHBondContact O-N 3.37Å; D489-A522 HydrophobicContact CB-CB 4.16Å; D489-Y524 WeakPolarHBondContact OD1-CA 3.31Å; D489-Y524 WeakPolarHBondContact OD1-CB 3.33Å; D489-Y524 PolarHBondContact OD1-N 2.85Å
490R94.3Very high89.9Confident50 Ų5056.2 Ų56.219%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-82.1125.7164.5-167.7176.4175.61512.1109.6I468 F469 L492 R500 A522 Q523 R525 E528I468-R490 CarbonylContact O-C 3.48Å; I468-R490 WeakPolarHBondContact O-CA 3.12Å; F469-R490 HydrophobicContact CD1-CB 3.78Å; F469-R490 HydrophobicContact CD1-CG 4.17Å; F469-R490 HydrophobicContact CE1-CB 3.65Å; F469-R490 HydrophobicContact CE1-CG 3.88Å; F469-R490 HydrophobicContact CZ-CB 4.48Å; F469-R490 HydrophobicContact CZ-CG 4.24Å; R490-L492 HydrophobicContact CB-CD2 4.45Å; R490-L492 HydrophobicContact CG-CD2 4.05Å; R490-R500 PolarHBondContact NH2-O 3.07Å; R490-R500 VanDerWaalsContact NH2-O 3.07Å; R490-A522 CarbonylContact O-C 3.19Å; R490-A522 WeakPolarHBondContact O-CA 3.33Å; R490-Q523 PolarHBondContact N-O 3.48Å; R490-Q523 PolarHBondContact O-N 2.96Å; R490-R525 HydrophobicContact CB-CB 4.4Å; R490-R525 HydrophobicContact CB-CG 4.27Å; R490-E528 IonicContact NH1-OE2 3.69Å; R490-E528 PolarHBondContact NH1-OE2 3.04Å
491I94.9Very high90Very high0 Ų059.5 Ų59.50%032%0.317CS..EExtended strand (participates in β ladder)trans-83.9121.1176.5-58.2-179.6000109F457 I459 I468 V470 V494 L499 I520F457-I491 HydrophobicContact CE2-CD1 3.79Å; F457-I491 HydrophobicContact CZ-CD1 4.32Å; I459-I491 HydrophobicContact CG2-CD1 3.67Å; I468-I491 HydrophobicContact CB-CB 4.46Å; I468-I491 HydrophobicContact CG2-CB 4.19Å; I468-I491 HydrophobicContact CG2-CD1 4.28Å; I468-I491 PolarHBondContact O-N 2.83Å; V470-I491 HydrophobicContact CG2-CD1 4Å; V470-I491 HydrophobicContact CG2-CG1 4.06Å; I491-V494 HydrophobicContact CG2-CG2 3.96Å; I491-L499 HydrophobicContact CG2-CD1 3.94Å; I491-I520 HydrophobicContact CG1-CG2 4.37Å; I491-I520 HydrophobicContact CG2-CG2 3.86Å
492L94.4Very high90.2Very high5 Ų553.6 Ų53.63%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-100-28.3-178.6-50.9-173000112.7P443 R490 N498 L499 R500 I521 Q523P443-L492 HydrophobicContact CB-CD1 3.83Å; P443-L492 HydrophobicContact CG-CD1 3.77Å; R490-L492 HydrophobicContact CB-CD2 4.45Å; R490-L492 HydrophobicContact CG-CD2 4.05Å; L492-N498 PolarHBondContact O-OD1 2.9Å; L492-N498 VanDerWaalsContact O-OD1 3.12Å; L492-L499 PolarHBondContact O-N 3.29Å; L492-R500 HydrophobicContact CB-CG 4.21Å; L492-R500 HydrophobicContact CD2-CG 4.1Å; L492-I521 HydrophobicContact CB-CG2 4.41Å; L492-I521 PolarHBondContact N-O 2.95Å; L492-Q523 HydrophobicContact CD1-CB 4.06Å; L492-Q523 HydrophobicContact CG-CB 4.37Å
493S94.4Very high90.4Very high12 Ų1254.6 Ų54.68%0.08429%0.292CS..EExtended strand (participates in β ladder)trans-163.9156.5172.562.50000113.4V497 I520 I521S493-V497 CarbonylContact C-O 3.59Å; S493-V497 WeakPolarHBondContact CA-O 3.15Å; S493-V497 WeakPolarHBondContact CB-O 3.28Å; S493-I520 WeakPolarHBondContact O-CA 3.29Å; S493-I521 PolarHBondContact N-O 2.98Å; S493-I521 PolarHBondContact O-N 3.31Å; S493-I521 WeakPolarHBondContact OG-CB 3.49Å; S493-I521 WeakPolarHBondContact OG-CD1 3.45Å; S493-I521 WeakPolarHBondContact OG-CG1 3.42Å
494V95.4Very high90.5Very high1 Ų156 Ų561%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-131.1123.9174.7170.90000109.7I491 G496 V497 L499 A510 L511 A514 V518 T519 I520I491-V494 HydrophobicContact CG2-CG2 3.96Å; V494-G496 PolarHBondContact O-N 3.32Å; V494-G496 VanDerWaalsContact O-N 3.09Å; V494-V497 PolarHBondContact N-O 3.46Å; V494-V497 VanDerWaalsContact O-CB 3.29Å; V494-V497 WeakPolarHBondContact O-CB 3.42Å; V494-V497 PolarHBondContact O-N 3.07Å; V494-L499 HydrophobicContact CB-CD1 4.06Å; V494-L499 HydrophobicContact CG2-CD1 3.58Å; V494-A510 HydrophobicContact CB-CB 4.39Å; V494-L511 HydrophobicContact CB-CD2 4.44Å; V494-L511 HydrophobicContact CG1-CD2 3.97Å; V494-L511 HydrophobicContact CG1-CG 4.49Å; V494-L511 HydrophobicContact CG2-CD2 3.58Å; V494-L511 HydrophobicContact CG2-CG 4.08Å; V494-A514 HydrophobicContact CG1-CB 3.88Å; V494-V518 HydrophobicContact CG1-CG1 3.79Å; V494-T519 CarbonylContact C-O 3.56Å; V494-T519 WeakPolarHBondContact CA-O 3.44Å; V494-I520 HydrophobicContact CG2-CG1 4.42Å; V494-I520 HydrophobicContact CG2-CG2 4.38Å
495N91.4Very high90.6Very high73 Ų7358.9 Ų58.939%0.3930%0.299SS..THydrogen-bonded Turntrans44.738.6-174.3-759.4000113.9V497 A514 T517 T519N495-V497 VanDerWaalsContact C-N 3.31Å; N495-V497 PolarHBondContact O-N 3.07Å; N495-A514 HydrophobicContact CB-CB 4.5Å; N495-A514 PolarHBondContact ND2-O 2.7Å; N495-T517 PolarHBondContact ND2-O 2.9Å; N495-T519 PolarHBondContact N-O 2.91Å; N495-T519 PolarHBondContact OD1-N 3.5Å; N495-T519 PolarHBondContact OD1-O 3.18Å
496G85.5Confident90.6Very high72 Ų7263.7 Ų63.774%0.74232%0.321SS*.THydrogen-bonded Turntrans85.8-14.2-177.800000115.4V494 N498V494-G496 PolarHBondContact O-N 3.32Å; V494-G496 VanDerWaalsContact O-N 3.09Å; G496-N498 PolarHBondContact O-N 3.17Å
497V92Very high90.6Very high80 Ų8056.5 Ų56.549%0.48529%0.294SS..EExtended strand (participates in β ladder)trans-70116172-175.10000108.9S493 V494 N495 L499 A510S493-V497 CarbonylContact C-O 3.59Å; S493-V497 WeakPolarHBondContact CA-O 3.15Å; S493-V497 WeakPolarHBondContact CB-O 3.28Å; V494-V497 PolarHBondContact N-O 3.46Å; V494-V497 VanDerWaalsContact O-CB 3.29Å; V494-V497 WeakPolarHBondContact O-CB 3.42Å; V494-V497 PolarHBondContact O-N 3.07Å; N495-V497 VanDerWaalsContact C-N 3.31Å; N495-V497 PolarHBondContact O-N 3.07Å; V497-L499 HydrophobicContact CG1-CD2 4.19Å; V497-A510 HydrophobicContact CG1-CB 4.38Å
498N91.6Very high90.7Very high101 Ų10151.5 Ų51.554%0.5428%0.28SS..EExtended strand (participates in β ladder)trans-70.8128.1179-174.17.2000110.6L492 G496 R500L492-N498 PolarHBondContact O-OD1 2.9Å; L492-N498 VanDerWaalsContact O-OD1 3.12Å; G496-N498 PolarHBondContact O-N 3.17Å; N498-R500 WeakPolarHBondContact OD1-CG 3.43Å; N498-R500 PolarHBondContact OD1-N 3.09Å; N498-R500 PolarHBondContact OD1-NH1 2.6Å
499L92.8Very high90.9Very high2 Ų253 Ų531%0.0129%0.292CS..  trans-118.35.4-176.4-62.9-177000114I491 L492 V494 V497 N501 A502 A507 A510I491-L499 HydrophobicContact CG2-CD1 3.94Å; L492-L499 PolarHBondContact O-N 3.29Å; V494-L499 HydrophobicContact CB-CD1 4.06Å; V494-L499 HydrophobicContact CG2-CD1 3.58Å; V497-L499 HydrophobicContact CG1-CD2 4.19Å; L499-N501 PolarHBondContact O-N 2.92Å; L499-N501 VanDerWaalsContact O-N 3.07Å; L499-A502 HydrophobicContact CB-CB 4.16Å; L499-A502 HydrophobicContact CD2-CB 3.62Å; L499-A502 PolarHBondContact O-N 3Å; L499-A502 VanDerWaalsContact O-N 3.16Å; L499-A507 HydrophobicContact CD1-CB 4.03Å; L499-A507 HydrophobicContact CD2-CB 4.29Å; L499-A510 HydrophobicContact CD1-CB 4.37Å; L499-A510 HydrophobicContact CD2-CB 4.14Å
500R89.3Confident90.8Very high110 Ų11053.7 Ų53.742%0.41530%0.298SS..THydrogen-bonded Turntrans-51.2-36.8-175.8-76.6179.4174.780.3-6.3114.9R490 L492 N498R490-R500 PolarHBondContact NH2-O 3.07Å; R490-R500 VanDerWaalsContact NH2-O 3.07Å; L492-R500 HydrophobicContact CB-CG 4.21Å; L492-R500 HydrophobicContact CD2-CG 4.1Å; N498-R500 WeakPolarHBondContact OD1-CG 3.43Å; N498-R500 PolarHBondContact OD1-N 3.09Å; N498-R500 PolarHBondContact OD1-NH1 2.6Å
501N86.6Confident90.6Very high145 Ų14552.1 Ų52.178%0.77529%0.293SS*.THydrogen-bonded Turntrans-128.923.7-177.9-54.318.3000110.9L499L499-N501 PolarHBondContact O-N 2.92Å; L499-N501 VanDerWaalsContact O-N 3.07Å
502A87.2Confident90.2Very high11 Ų1160 Ų609%0.09133%0.327CS..  trans-81.7150.7-179.400000111L499 Q506L499-A502 HydrophobicContact CB-CB 4.16Å; L499-A502 HydrophobicContact CD2-CB 3.62Å; L499-A502 PolarHBondContact O-N 3Å; L499-A502 VanDerWaalsContact O-N 3.16Å; A502-Q506 HydrophobicContact CB-CB 4.05Å
503T89.8Confident89.7Confident60 Ų6070.2 Ų70.237%0.36837%0.365SS..  trans-69.3161.3172.571.50000111.4G462 E505 Q506 A507G462-T503 WeakPolarHBondContact O-CA 3.42Å; T503-E505 VanDerWaalsContact C-N 3.26Å; T503-E505 PolarHBondContact O-N 3.43Å; T503-Q506 PolarHBondContact O-N 3.23Å; T503-Q506 VanDerWaalsContact O-N 3.12Å; T503-Q506 VanDerWaalsContact OG1-CG 3.27Å; T503-Q506 WeakPolarHBondContact OG1-CG 3.39Å; T503-Q506 PolarHBondContact OG1-N 3.37Å; T503-A507 PolarHBondContact O-N 3.46Å
504H87.1Confident89.1Confident76 Ų7670.2 Ų70.235%0.35237%0.366SS..Hα-helixtrans-50.6-47.3175.2-171.986.2000112.3I459 G461 G462 A507 A508I459-H504 PolarHBondContact O-CE1 2.96Å; G461-H504 WeakPolarHBondContact O-CB 3.48Å; G461-H504 PolarHBondContact O-ND1 2.8Å; G462-H504 PolarHBondContact O-N 3.06Å; H504-A507 PolarHBondContact O-N 3.29Å; H504-A508 WeakPolarHBondContact O-CB 3.48Å; H504-A508 PolarHBondContact O-N 2.96Å
505E89.9Confident88.6Confident154 Ų15472.2 Ų72.272%0.7239%0.388SS*.Hα-helixtrans-63.8-43.1179-168.8-170.5-173.100112.1T503 A507 A508 A509T503-E505 VanDerWaalsContact C-N 3.26Å; T503-E505 PolarHBondContact O-N 3.43Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 2.73Å; E505-A508 PolarHBondContact O-N 3.17Å; E505-A509 VanDerWaalsContact O-CB 3.24Å; E505-A509 WeakPolarHBondContact O-CB 3.42Å; E505-A509 PolarHBondContact O-N 3.42Å
506Q89.5Confident88.4Confident108 Ų10875.2 Ų75.251%0.50540%0.399SS..Hα-helixtrans-62-40.9178-71.8166.92.100111.7A502 T503 A509 A510A502-Q506 HydrophobicContact CB-CB 4.05Å; T503-Q506 PolarHBondContact O-N 3.23Å; T503-Q506 VanDerWaalsContact O-N 3.12Å; T503-Q506 VanDerWaalsContact OG1-CG 3.27Å; T503-Q506 WeakPolarHBondContact OG1-CG 3.39Å; T503-Q506 PolarHBondContact OG1-N 3.37Å; Q506-A509 PolarHBondContact O-N 2.99Å; Q506-A510 WeakPolarHBondContact O-CB 3.3Å; Q506-A510 PolarHBondContact O-N 3.39Å
507A90.8Very high88.6Confident0 Ų074.8 Ų74.80%038%0.382CS..Hα-helixtrans-66.6-44.7175.500000112.4I459 I468 L499 T503 H504 E505 A509 A510 L511I459-A507 HydrophobicContact CD1-CB 3.81Å; I468-A507 HydrophobicContact CB-CB 4.49Å; I468-A507 HydrophobicContact CD1-CB 3.6Å; I468-A507 HydrophobicContact CG1-CB 3.74Å; I468-A507 HydrophobicContact CG2-CB 4Å; L499-A507 HydrophobicContact CD1-CB 4.03Å; L499-A507 HydrophobicContact CD2-CB 4.29Å; T503-A507 PolarHBondContact O-N 3.46Å; H504-A507 PolarHBondContact O-N 3.29Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 2.73Å; A507-A509 VanDerWaalsContact C-N 3.34Å; A507-A509 PolarHBondContact O-N 3.03Å; A507-A510 PolarHBondContact O-N 3.31Å; A507-L511 WeakPolarHBondContact O-CG 3.46Å; A507-L511 PolarHBondContact O-N 2.9Å
508A89.1Confident88.8Confident21 Ų2171 Ų7117%0.17436%0.359CS..Hα-helixtrans-62.1-40.2174.500000112I459 H504 E505 K512I459-A508 HydrophobicContact CD1-CB 4.42Å; H504-A508 WeakPolarHBondContact O-CB 3.48Å; H504-A508 PolarHBondContact O-N 2.96Å; E505-A508 PolarHBondContact O-N 3.17Å; A508-K512 WeakPolarHBondContact O-CB 3.49Å; A508-K512 WeakPolarHBondContact O-CG 3.33Å; A508-K512 PolarHBondContact O-N 3.06Å
509A89.1Confident88.9Confident32 Ų3268 Ų6826%0.26435%0.345SS..Hα-helixtrans-65.5-41.3176.200000112E505 Q506 A507 K512 R513E505-A509 VanDerWaalsContact O-CB 3.24Å; E505-A509 WeakPolarHBondContact O-CB 3.42Å; E505-A509 PolarHBondContact O-N 3.42Å; Q506-A509 PolarHBondContact O-N 2.99Å; A507-A509 VanDerWaalsContact C-N 3.34Å; A507-A509 PolarHBondContact O-N 3.03Å; A509-K512 PolarHBondContact O-N 3.36Å; A509-R513 VanDerWaalsContact O-CB 3.29Å; A509-R513 WeakPolarHBondContact O-CB 3.41Å; A509-R513 VanDerWaalsContact O-CG 3.28Å; A509-R513 WeakPolarHBondContact O-CG 3.23Å; A509-R513 PolarHBondContact O-N 3.07Å
510A91.1Very high89Confident14 Ų1468 Ų6812%0.11634%0.344CS..Hα-helixtrans-61.3-50.2174.700000111.5V494 V497 L499 Q506 A507 K512 R513 A514V494-A510 HydrophobicContact CB-CB 4.39Å; V497-A510 HydrophobicContact CG1-CB 4.38Å; L499-A510 HydrophobicContact CD1-CB 4.37Å; L499-A510 HydrophobicContact CD2-CB 4.14Å; Q506-A510 WeakPolarHBondContact O-CB 3.3Å; Q506-A510 PolarHBondContact O-N 3.39Å; A507-A510 PolarHBondContact O-N 3.31Å; A510-K512 PolarHBondContact O-N 2.83Å; A510-R513 PolarHBondContact O-N 3.45Å; A510-A514 VanDerWaalsContact O-CB 3.3Å; A510-A514 WeakPolarHBondContact O-CB 3.15Å; A510-A514 PolarHBondContact O-N 3.42Å
511L90.6Very high89.3Confident18 Ų1865.5 Ų65.59%0.09434%0.339CS..Hα-helixtrans-60.8-42.3177.6-72.6167.2000112.7K450 L455 F457 I459 V494 A507 V518 I520K450-L511 WeakPolarHBondContact CE-O 3.45Å; K450-L511 PolarHBondContact NZ-O 2.97Å; L455-L511 HydrophobicContact CD1-CD2 3.84Å; F457-L511 HydrophobicContact CE2-CD1 4.13Å; F457-L511 HydrophobicContact CZ-CD1 4.09Å; F457-L511 HydrophobicContact CZ-CD2 3.78Å; I459-L511 HydrophobicContact CD1-CD1 4.11Å; I459-L511 HydrophobicContact CG2-CD1 4.05Å; V494-L511 HydrophobicContact CB-CD2 4.44Å; V494-L511 HydrophobicContact CG1-CD2 3.97Å; V494-L511 HydrophobicContact CG1-CG 4.49Å; V494-L511 HydrophobicContact CG2-CD2 3.58Å; V494-L511 HydrophobicContact CG2-CG 4.08Å; A507-L511 WeakPolarHBondContact O-CG 3.46Å; A507-L511 PolarHBondContact O-N 2.9Å; L511-V518 HydrophobicContact CD2-CG1 4.31Å; L511-I520 HydrophobicContact CD2-CD1 4.29Å
512K87.1Confident89.7Confident165 Ų16558.6 Ų58.672%0.71730%0.302SS*.Hα-helixtrans-62-50.9175.2-74170.5-177.1177.60111.1K450 A508 A509 A510 A514K450-K512 PolarHBondContact NZ-O 2.86Å; A508-K512 WeakPolarHBondContact O-CB 3.49Å; A508-K512 WeakPolarHBondContact O-CG 3.33Å; A508-K512 PolarHBondContact O-N 3.06Å; A509-K512 PolarHBondContact O-N 3.36Å; A510-K512 PolarHBondContact O-N 2.83Å; K512-A514 VanDerWaalsContact C-N 3.34Å; K512-A514 PolarHBondContact O-N 2.61Å
513R84.2Confident90Very high219 Ų21959.3 Ų59.383%0.82630%0.303SS*.Hα-helixtrans-73.4-14.3-176.8-68.7178.4-176.1178.94115.2A509 A510 G515A509-R513 VanDerWaalsContact O-CB 3.29Å; A509-R513 WeakPolarHBondContact O-CB 3.41Å; A509-R513 VanDerWaalsContact O-CG 3.28Å; A509-R513 WeakPolarHBondContact O-CG 3.23Å; A509-R513 PolarHBondContact O-N 3.07Å; A510-R513 PolarHBondContact O-N 3.45Å; R513-G515 PolarHBondContact O-N 3.36Å
514A81.8Confident90.2Very high12 Ų1260.3 Ų60.310%0.09930%0.301CS..SBendtrans-64.515.1-175.300000117.2V494 N495 A510 K512 V518V494-A514 HydrophobicContact CG1-CB 3.88Å; N495-A514 HydrophobicContact CB-CB 4.5Å; N495-A514 PolarHBondContact ND2-O 2.7Å; A510-A514 VanDerWaalsContact O-CB 3.3Å; A510-A514 WeakPolarHBondContact O-CB 3.15Å; A510-A514 PolarHBondContact O-N 3.42Å; K512-A514 VanDerWaalsContact C-N 3.34Å; K512-A514 PolarHBondContact O-N 2.61Å; A514-V518 HydrophobicContact CB-CB 4.29Å; A514-V518 HydrophobicContact CB-CG1 3.84Å; A514-V518 HydrophobicContact CB-CG2 3.68Å
515G83.5Confident90.3Very high44 Ų4460.6 Ų60.645%0.45430%0.299SS..  trans66.1-15917900000113.5K450 R513K450-G515 VanDerWaalsContact CD-O 3.27Å; K450-G515 WeakPolarHBondContact CD-O 3.41Å; K450-G515 VanDerWaalsContact CE-O 3.31Å; K450-G515 WeakPolarHBondContact CE-O 3.29Å; K450-G515 PolarHBondContact NZ-O 3.14Å; R513-G515 PolarHBondContact O-N 3.36Å
516Q88.4Confident89.9Confident135 Ų13554.9 Ų54.963%0.63128%0.275SS*.SBendtrans-77.8-33.5-179.6-74-67.31.300113.6H449 K450H449-Q516 CarbonylContact C-O 3.51Å; H449-Q516 WeakPolarHBondContact CA-O 3.25Å; K450-Q516 PolarHBondContact N-O 3.32Å
517T90.4Very high89.7Confident64 Ų6454.3 Ų54.339%0.39327%0.273SS..EExtended strand (participates in β ladder)trans-110.7119.8179.5-51.40000109.4V447 H449 N495V447-T517 HydrophobicContact CG1-CG2 3.81Å; H449-T517 PolarHBondContact CE1-OG1 3.28Å; H449-T517 VanDerWaalsContact CE1-OG1 3.32Å; H449-T517 PolarHBondContact ND1-OG1 3.38Å; H449-T517 VanDerWaalsContact ND1-OG1 3.15Å; N495-T517 PolarHBondContact ND2-O 2.9Å
518V94.5Very high89.4Confident0 Ų056.9 Ų56.90%029%0.285CS..EExtended strand (participates in β ladder)trans-118.6108.2-171.1-173.90000109.7L448 K450 L455 V494 L511 A514 I520L448-V518 PolarHBondContact N-O 3.3Å; L448-V518 PolarHBondContact O-N 3.48Å; K450-V518 HydrophobicContact CG-CG2 4.42Å; L455-V518 HydrophobicContact CD1-CB 4.3Å; L455-V518 HydrophobicContact CD1-CG1 4.09Å; L455-V518 HydrophobicContact CD1-CG2 4.17Å; L455-V518 HydrophobicContact CD2-CB 3.98Å; L455-V518 HydrophobicContact CD2-CG2 3.83Å; V494-V518 HydrophobicContact CG1-CG1 3.79Å; L511-V518 HydrophobicContact CD2-CG1 4.31Å; A514-V518 HydrophobicContact CB-CB 4.29Å; A514-V518 HydrophobicContact CB-CG1 3.84Å; A514-V518 HydrophobicContact CB-CG2 3.68Å; V518-I520 HydrophobicContact CG1-CD1 4.39Å; V518-I520 HydrophobicContact CG1-CG1 3.92Å
519T93.9Very high89.2Confident39 Ų3956.8 Ų56.824%0.23928%0.28CS..EExtended strand (participates in β ladder)trans-83.2121169-63.90000109.4K445 V446 V494 N495K445-T519 HydrophobicContact CD-CG2 4.18Å; K445-T519 HydrophobicContact CG-CG2 3.74Å; V446-T519 CarbonylContact O-C 3.36Å; V446-T519 WeakPolarHBondContact O-CA 3.47Å; V494-T519 CarbonylContact C-O 3.56Å; V494-T519 WeakPolarHBondContact CA-O 3.44Å; N495-T519 PolarHBondContact N-O 2.91Å; N495-T519 PolarHBondContact OD1-N 3.5Å; N495-T519 PolarHBondContact OD1-O 3.18Å
520I95.9Very high88.8Confident0 Ų058.4 Ų58.40%029%0.289CS..EExtended strand (participates in β ladder)trans-114.7136.9177.7-50.6179.3000107.9K445 V446 L448 F457 I491 S493 V494 L511 V518 A522K445-I520 CarbonylContact C-O 3.51Å; K445-I520 WeakPolarHBondContact CA-O 3.32Å; V446-I520 HydrophobicContact CB-CB 4.37Å; V446-I520 PolarHBondContact N-O 3.49Å; V446-I520 PolarHBondContact O-N 3.37Å; L448-I520 HydrophobicContact CD1-CD1 3.95Å; F457-I520 HydrophobicContact CE1-CD1 3.64Å; F457-I520 HydrophobicContact CZ-CD1 3.54Å; I491-I520 HydrophobicContact CG1-CG2 4.37Å; I491-I520 HydrophobicContact CG2-CG2 3.86Å; S493-I520 WeakPolarHBondContact O-CA 3.29Å; V494-I520 HydrophobicContact CG2-CG1 4.42Å; V494-I520 HydrophobicContact CG2-CG2 4.38Å; L511-I520 HydrophobicContact CD2-CD1 4.29Å; V518-I520 HydrophobicContact CG1-CD1 4.39Å; V518-I520 HydrophobicContact CG1-CG1 3.92Å; I520-A522 HydrophobicContact CG2-CB 4.39Å
521I95Very high88.3Confident58 Ų5866.9 Ų66.930%0.29732%0.318SS..EExtended strand (participates in β ladder)trans-102.7115.5163.4-57.3-176.2000107.4P443 R444 L492 S493P443-I521 HydrophobicContact CB-CG2 3.75Å; R444-I521 WeakPolarHBondContact O-CA 3.34Å; L492-I521 HydrophobicContact CB-CG2 4.41Å; L492-I521 PolarHBondContact N-O 2.95Å; S493-I521 PolarHBondContact N-O 2.98Å; S493-I521 PolarHBondContact O-N 3.31Å; S493-I521 WeakPolarHBondContact OG-CB 3.49Å; S493-I521 WeakPolarHBondContact OG-CD1 3.45Å; S493-I521 WeakPolarHBondContact OG-CG1 3.42Å
522A94.6Very high87.8Confident0 Ų067 Ų670%032%0.318CS..EExtended strand (participates in β ladder)trans-123143.4-174.100000110.6P443 R444 V446 L485 D489 R490 I520P443-A522 CarbonylContact C-O 3.6Å; P443-A522 WeakPolarHBondContact CA-O 3.18Å; R444-A522 PolarHBondContact N-O 3.32Å; R444-A522 PolarHBondContact O-N 2.77Å; V446-A522 HydrophobicContact CG2-CB 4.49Å; L485-A522 HydrophobicContact CD1-CB 3.86Å; D489-A522 HydrophobicContact CB-CB 4.16Å; R490-A522 CarbonylContact O-C 3.19Å; R490-A522 WeakPolarHBondContact O-CA 3.33Å; I520-A522 HydrophobicContact CG2-CB 4.39Å
523Q93.8Very high87.4Confident26 Ų2663.2 Ų63.212%0.12130%0.303CS..EExtended strand (participates in β ladder)trans-128.7122.7177.5-172.6-179.127.200109.1R441 P443 R490 L492 R525R441-Q523 PolarHBondContact O-NE2 2.99Å; P443-Q523 HydrophobicContact CB-CB 4.41Å; P443-Q523 HydrophobicContact CG-CB 4.38Å; P443-Q523 HydrophobicContact CG-CG 4.3Å; R490-Q523 PolarHBondContact N-O 3.48Å; R490-Q523 PolarHBondContact O-N 2.96Å; L492-Q523 HydrophobicContact CD1-CB 4.06Å; L492-Q523 HydrophobicContact CG-CB 4.37Å; Q523-R525 HydrophobicContact CG-CG 4.28Å; Q523-R525 PolarHBondContact O-N 3.04Å
524Y93.3Very high86.8Confident82 Ų8256 Ų5632%0.32229%0.286SS..EExtended strand (participates in β ladder)trans-68.6121.1-179.3-171.3-122.8000109.8R486 R487 D489 P526R486-Y524 HydrophobicContact CB-CD2 4.35Å; R486-Y524 HydrophobicContact CB-CE2 4.32Å; R487-Y524 WeakPolarHBondContact O-CE2 3.2Å; D489-Y524 WeakPolarHBondContact OD1-CA 3.31Å; D489-Y524 WeakPolarHBondContact OD1-CB 3.33Å; D489-Y524 PolarHBondContact OD1-N 2.85Å; Y524-P526 HydrophobicContact CD1-CG 4.11Å; Y524-P526 HydrophobicContact CE1-CB 4.34Å; Y524-P526 HydrophobicContact CE1-CG 3.58Å; Y524-P526 HydrophobicContact CE2-CB 4.36Å; Y524-P526 HydrophobicContact CE2-CG 4.35Å
525R89.4Confident86.4Confident82 Ų8259.5 Ų59.531%0.30930%0.299SS..  trans-141.857.7-174.3-69.8-60.6-168.3123.516.9111F469 G488 R490 Q523 E527 E528 Y529F469-R525 HydrophobicContact CE1-CB 4.18Å; G488-R525 CarbonylContact O-C 3.59Å; G488-R525 PolarHBondContact O-N 3.46Å; R490-R525 HydrophobicContact CB-CB 4.4Å; R490-R525 HydrophobicContact CB-CG 4.27Å; Q523-R525 HydrophobicContact CG-CG 4.28Å; Q523-R525 PolarHBondContact O-N 3.04Å; R525-E527 PolarHBondContact O-N 3.39Å; R525-E528 HydrophobicContact CB-CB 4.16Å; R525-E528 HydrophobicContact CB-CG 4.35Å; R525-E528 IonicContact CZ-OE1 3.18Å; R525-E528 IonicContact NE-OE1 3.63Å; R525-E528 IonicContact NH1-OE1 2.65Å; R525-E528 PolarHBondContact NH1-OE1 3.01Å; R525-E528 IonicContact NH2-OE1 3.91Å; R525-E528 PolarHBondContact O-N 2.65Å; R525-E528 VanDerWaalsContact O-N 3.16Å; R525-Y529 WeakPolarHBondContact O-CB 3.49Å; R525-Y529 PolarHBondContact O-N 2.83Å
526P82.8Confident85.7Confident34 Ų3459.7 Ų59.722%0.22129%0.289CS..Hα-helixtrans-58.9-34.3-178.227.7-36000111.9Y524 E528 Y529 S530Y524-P526 HydrophobicContact CD1-CG 4.11Å; Y524-P526 HydrophobicContact CE1-CB 4.34Å; Y524-P526 HydrophobicContact CE1-CG 3.58Å; Y524-P526 HydrophobicContact CE2-CB 4.36Å; Y524-P526 HydrophobicContact CE2-CG 4.35Å; P526-E528 PolarHBondContact O-N 3.41Å; P526-Y529 PolarHBondContact O-N 3.33Å; P526-S530 WeakPolarHBondContact O-CB 3.27Å; P526-S530 PolarHBondContact O-N 3.04Å; P526-S530 PolarHBondContact O-OG 2.91Å
527E84.4Confident84.5Confident96 Ų9658.4 Ų58.445%0.44928%0.283SS..Hα-helixtrans-72.2-26.5-179-45.996.3136.800113.4R441 R525 R531R441-E527 IonicContact NH2-OE1 3.19Å; R441-E527 PolarHBondContact NH2-OE1 2.97Å; R525-E527 PolarHBondContact O-N 3.39Å; E527-R531 WeakPolarHBondContact O-CD 3.43Å; E527-R531 VanDerWaalsContact O-CG 3.31Å; E527-R531 WeakPolarHBondContact O-CG 3.47Å
528E84.7Confident83.5Confident54 Ų5459.3 Ų59.325%0.25229%0.285SS..Hα-helixtrans-78.2-46.6170.1-67.7175-151.800109.9F469 R490 R525 P526 S530 R531 F532F469-E528 HydrophobicContact CE1-CB 3.96Å; F469-E528 HydrophobicContact CZ-CB 3.8Å; R490-E528 IonicContact NH1-OE2 3.69Å; R490-E528 PolarHBondContact NH1-OE2 3.04Å; R525-E528 HydrophobicContact CB-CB 4.16Å; R525-E528 HydrophobicContact CB-CG 4.35Å; R525-E528 IonicContact CZ-OE1 3.18Å; R525-E528 IonicContact NE-OE1 3.63Å; R525-E528 IonicContact NH1-OE1 2.65Å; R525-E528 PolarHBondContact NH1-OE1 3.01Å; R525-E528 IonicContact NH2-OE1 3.91Å; R525-E528 PolarHBondContact O-N 2.65Å; R525-E528 VanDerWaalsContact O-N 3.16Å; P526-E528 PolarHBondContact O-N 3.41Å; E528-S530 PolarHBondContact O-N 3.05Å; E528-R531 PolarHBondContact O-N 3.45Å; E528-F532 PolarHBondContact O-N 2.63Å
529Y85.6Confident82.1Confident18 Ų1864 Ų647%0.07131%0.309CS..Hα-helixtrans-62.1-42.1-178174.3-108.8000113.1V460 F469 R487 R525 P526 R531 F532 E533V460-Y529 HydrophobicContact CG2-CE2 3.99Å; F469-Y529 HydrophobicContact CB-CD2 3.61Å; F469-Y529 HydrophobicContact CB-CE2 4.19Å; F469-Y529 HydrophobicContact CD1-CD2 4.29Å; F469-Y529 AromaticContact CG-CD2 3.92Å; F469-Y529 HydrophobicContact CG-CD2 3.92Å; R487-Y529 HydrophobicContact CG-CE1 3.85Å; R487-Y529 PolarHBondContact NE-OH 2.89Å; R487-Y529 PolarHBondContact NH2-OH 3.29Å; R487-Y529 VanDerWaalsContact NH2-OH 3.12Å; R525-Y529 WeakPolarHBondContact O-CB 3.49Å; R525-Y529 PolarHBondContact O-N 2.83Å; P526-Y529 PolarHBondContact O-N 3.33Å; Y529-R531 VanDerWaalsContact C-N 3.33Å; Y529-R531 PolarHBondContact O-N 3.12Å; Y529-F532 WeakPolarHBondContact O-CB 3.46Å; Y529-F532 PolarHBondContact O-N 3.02Å; Y529-E533 VanDerWaalsContact CE1-OE2 3.25Å; Y529-E533 WeakPolarHBondContact CE1-OE2 3.5Å; Y529-E533 WeakPolarHBondContact O-CB 3.41Å; Y529-E533 PolarHBondContact O-N 3.03Å; Y529-E533 PolarHBondContact OH-OE2 3.3Å
530S80Confident80.1Confident66 Ų6670.1 Ų70.146%0.46233%0.328SS..Hα-helixtrans-65.6-33175.7-66.40000113P526 E528 E533 S534P526-S530 WeakPolarHBondContact O-CB 3.27Å; P526-S530 PolarHBondContact O-N 3.04Å; P526-S530 PolarHBondContact O-OG 2.91Å; E528-S530 PolarHBondContact O-N 3.05Å; S530-E533 PolarHBondContact O-N 3.06Å; S530-S534 PolarHBondContact O-N 3.13Å; S530-S534 PolarHBondContact O-OG 3.05Å
531R80.7Confident78.1Confident193 Ų19374.4 Ų74.473%0.72835%0.348SS*.Hα-helixtrans-68.6-40173.8-69.5172.6-174.4-171.51.4111.7E527 E528 Y529 E533 S534 K535E527-R531 WeakPolarHBondContact O-CD 3.43Å; E527-R531 VanDerWaalsContact O-CG 3.31Å; E527-R531 WeakPolarHBondContact O-CG 3.47Å; E528-R531 PolarHBondContact O-N 3.45Å; Y529-R531 VanDerWaalsContact C-N 3.33Å; Y529-R531 PolarHBondContact O-N 3.12Å; R531-E533 VanDerWaalsContact C-N 3.35Å; R531-S534 PolarHBondContact O-N 3.38Å; R531-K535 WeakPolarHBondContact O-CB 3.31Å; R531-K535 PolarHBondContact O-N 3.05Å
532F79.7Confident76.2Confident20 Ų2077.9 Ų77.99%0.08836%0.364CS..Hα-helixtrans-61.2-44.2172.3173.3-92.5000111.1V460 E466 E528 Y529 K535 I536V460-F532 HydrophobicContact CB-CE1 4.04Å; V460-F532 HydrophobicContact CB-CZ 4.47Å; V460-F532 HydrophobicContact CG2-CD1 4.34Å; V460-F532 HydrophobicContact CG2-CE1 3.72Å; E466-F532 HydrophobicContact CB-CD2 4.01Å; E466-F532 HydrophobicContact CB-CE2 4.08Å; E466-F532 HydrophobicContact CG-CD2 3.98Å; E466-F532 HydrophobicContact CG-CE2 4.19Å; E528-F532 PolarHBondContact O-N 2.63Å; Y529-F532 WeakPolarHBondContact O-CB 3.46Å; Y529-F532 PolarHBondContact O-N 3.02Å; F532-K535 PolarHBondContact O-N 2.88Å; F532-I536 HydrophobicContact CD1-CG1 4.44Å; F532-I536 HydrophobicContact CE1-CG1 4Å; F532-I536 HydrophobicContact CE2-CD1 4.29Å; F532-I536 HydrophobicContact CE2-CG1 4.09Å; F532-I536 HydrophobicContact CZ-CD1 4.17Å; F532-I536 HydrophobicContact CZ-CG1 3.8Å; F532-I536 WeakPolarHBondContact O-CG1 3.33Å; F532-I536 PolarHBondContact O-N 3.44Å
533E78.4Confident73.9Confident86 Ų8685 Ų8540%0.40240%0.399SS..Hα-helixtrans-63.2-42177.9-165.5165.6174.300112.2R487 Y529 S530 R531 H537R487-E533 IonicContact CZ-OE1 3.38Å; R487-E533 IonicContact CZ-OE2 2.72Å; R487-E533 IonicContact NH2-OE1 3.1Å; R487-E533 PolarHBondContact NH2-OE1 2.94Å; R487-E533 IonicContact NH2-OE2 3.39Å; R487-E533 PolarHBondContact NH2-OE2 3.19Å; Y529-E533 VanDerWaalsContact CE1-OE2 3.25Å; Y529-E533 WeakPolarHBondContact CE1-OE2 3.5Å; Y529-E533 WeakPolarHBondContact O-CB 3.41Å; Y529-E533 PolarHBondContact O-N 3.03Å; Y529-E533 PolarHBondContact OH-OE2 3.3Å; S530-E533 PolarHBondContact O-N 3.06Å; R531-E533 VanDerWaalsContact C-N 3.35Å; E533-H537 PolarHBondContact O-N 3.14Å
534S71.6Confident71.6Confident66 Ų6690.9 Ų90.946%0.46243%0.428SS..Hα-helixtrans-62.1-48.6170.3-63.50000112.7S530 R531 I536 H537 D538S530-S534 PolarHBondContact O-N 3.13Å; S530-S534 PolarHBondContact O-OG 3.05Å; R531-S534 PolarHBondContact O-N 3.38Å; S534-I536 PolarHBondContact O-N 2.92Å; S534-H537 CarbonylContact O-C 3.59Å; S534-H537 WeakPolarHBondContact O-CA 3.4Å; S534-H537 WeakPolarHBondContact O-CB 3.43Å; S534-H537 PolarHBondContact O-N 2.62Å; S534-D538 PolarHBondContact O-N 2.92Å
535K74.8Confident69.4Low87 Ų8792.6 Ų92.638%0.37844%0.443SS..Hα-helixtrans-55.4-40179.2-173.2-167.3-177.7-1640112E466 R531 F532 L539E466-K535 IonicContact OE1-NZ 2.97Å; E466-K535 PolarHBondContact OE1-NZ 2.62Å; R531-K535 WeakPolarHBondContact O-CB 3.31Å; R531-K535 PolarHBondContact O-N 3.05Å; F532-K535 PolarHBondContact O-N 2.88Å; K535-L539 WeakPolarHBondContact O-CB 3.48Å; K535-L539 PolarHBondContact O-N 3.39Å
536I67.9Low67Low48 Ų4893.7 Ų93.725%0.24646%0.463CS..Hα-helixtrans-73.2-33.2176.3-65.2-65.2000112.1F532 S534 R540F532-I536 HydrophobicContact CD1-CG1 4.44Å; F532-I536 HydrophobicContact CE1-CG1 4Å; F532-I536 HydrophobicContact CE2-CD1 4.29Å; F532-I536 HydrophobicContact CE2-CG1 4.09Å; F532-I536 HydrophobicContact CZ-CD1 4.17Å; F532-I536 HydrophobicContact CZ-CG1 3.8Å; F532-I536 WeakPolarHBondContact O-CG1 3.33Å; F532-I536 PolarHBondContact O-N 3.44Å; S534-I536 PolarHBondContact O-N 2.92Å; I536-R540 WeakPolarHBondContact O-CD 3.23Å; I536-R540 VanDerWaalsContact O-CG 3.26Å; I536-R540 WeakPolarHBondContact O-CG 3.27Å; I536-R540 PolarHBondContact O-N 2.72Å
537H63.4Low64.6Low107 Ų10796.4 Ų96.450%0.49548%0.483SS..Hα-helixtrans-65.4-54.7172.7-168.4-75.4000111E533 S534 L539 R540 E541E533-H537 PolarHBondContact O-N 3.14Å; S534-H537 CarbonylContact O-C 3.59Å; S534-H537 WeakPolarHBondContact O-CA 3.4Å; S534-H537 WeakPolarHBondContact O-CB 3.43Å; S534-H537 PolarHBondContact O-N 2.62Å; H537-L539 VanDerWaalsContact C-N 3.26Å; H537-L539 PolarHBondContact O-N 2.68Å; H537-R540 PolarHBondContact O-N 2.96Å; H537-R540 VanDerWaalsContact O-N 3.1Å; H537-E541 IonicContact CE1-OE2 3.53Å; H537-E541 PolarHBondContact CE1-OE2 3.48Å; H537-E541 IonicContact ND1-OE2 3.88Å; H537-E541 PolarHBondContact ND1-OE2 3.39Å; H537-E541 VanDerWaalsContact ND1-OE2 3.13Å; H537-E541 WeakPolarHBondContact O-CB 3.39Å; H537-E541 PolarHBondContact O-N 2.87Å
538D68.8Low62Low84 Ų84100.8 Ų100.845%0.44951%0.505SS..Hα-helixtrans-56.7-39.9-178.3-59.3-17.8000111.6S534 E541 Q542S534-D538 PolarHBondContact O-N 2.92Å; D538-E541 PolarHBondContact O-N 2.94Å; D538-Q542 VanDerWaalsContact O-CG 3.26Å; D538-Q542 WeakPolarHBondContact O-CG 3.38Å; D538-Q542 PolarHBondContact O-N 3.49Å
539L65.3Low59.2Low97 Ų97103.9 Ų103.951%0.50853%0.533SS..Hα-helixtrans-68.6-42178.1-170.367.9000112.3K535 H537 E541 Q542 M543K535-L539 WeakPolarHBondContact O-CB 3.48Å; K535-L539 PolarHBondContact O-N 3.39Å; H537-L539 VanDerWaalsContact C-N 3.26Å; H537-L539 PolarHBondContact O-N 2.68Å; L539-E541 VanDerWaalsContact C-N 3.33Å; L539-Q542 PolarHBondContact O-N 3.36Å; L539-M543 WeakPolarHBondContact O-CG 3.48Å; L539-M543 PolarHBondContact O-N 3.09Å; L539-M543 VanDerWaalsContact O-N 3.09Å
540R51.8Low56.7Low168 Ų168109 Ų10963%0.63457%0.571SS**Hα-helixtrans-64.3-39.7173.9-73.9171.1176.5-171.6-1.4111.5I536 H537 M543 M544I536-R540 WeakPolarHBondContact O-CD 3.23Å; I536-R540 VanDerWaalsContact O-CG 3.26Å; I536-R540 WeakPolarHBondContact O-CG 3.27Å; I536-R540 PolarHBondContact O-N 2.72Å; H537-R540 PolarHBondContact O-N 2.96Å; H537-R540 VanDerWaalsContact O-N 3.1Å; R540-M543 PolarHBondContact O-N 3.18Å; R540-M544 WeakPolarHBondContact O-CG 3.29Å; R540-M544 PolarHBondContact O-N 2.92Å
541E53.9Low54.2Low90 Ų90109.5 Ų109.542%0.42159%0.587SS.*Hα-helixtrans-67.1-38.2178.8-170.7165-178.100111.5H537 D538 L539 M544 N545H537-E541 IonicContact CE1-OE2 3.53Å; H537-E541 PolarHBondContact CE1-OE2 3.48Å; H537-E541 IonicContact ND1-OE2 3.88Å; H537-E541 PolarHBondContact ND1-OE2 3.39Å; H537-E541 VanDerWaalsContact ND1-OE2 3.13Å; H537-E541 WeakPolarHBondContact O-CB 3.39Å; H537-E541 PolarHBondContact O-N 2.87Å; D538-E541 PolarHBondContact O-N 2.94Å; L539-E541 VanDerWaalsContact C-N 3.33Å; E541-M544 PolarHBondContact O-N 3.34Å; E541-N545 WeakPolarHBondContact CG-ND2 3.5Å; E541-N545 VanDerWaalsContact O-CB 3.29Å; E541-N545 WeakPolarHBondContact O-CB 3.42Å; E541-N545 VanDerWaalsContact O-CG 3.23Å; E541-N545 PolarHBondContact O-N 3.1Å; E541-N545 PolarHBondContact O-ND2 3.45Å; E541-N545 VanDerWaalsContact O-ND2 3.1Å
542Q54.6Low51.7Low132 Ų132106.6 Ų106.662%0.61760%0.596SS**Hα-helixtrans-62.9-42.5170.4-73.9169.432.900112.7D538 L539 M544 S546D538-Q542 VanDerWaalsContact O-CG 3.26Å; D538-Q542 WeakPolarHBondContact O-CG 3.38Å; D538-Q542 PolarHBondContact O-N 3.49Å; L539-Q542 PolarHBondContact O-N 3.36Å; Q542-M544 VanDerWaalsContact C-N 3.33Å; Q542-M544 PolarHBondContact O-N 3.02Å; Q542-S546 PolarHBondContact O-OG 3.23Å
543M47.2Very low49.2Very low150 Ų150108.7 Ų108.774%0.73962%0.623SS**Hα-helixtrans-65.6-33.6175.3-67.5-178.380.400112.8L539 R540L539-M543 WeakPolarHBondContact O-CG 3.48Å; L539-M543 PolarHBondContact O-N 3.09Å; L539-M543 VanDerWaalsContact O-N 3.09Å; R540-M543 PolarHBondContact O-N 3.18Å
544M46.3Very low46.7Very low149 Ų149109.4 Ų109.473%0.73464%0.638SS**Hα-helixtrans-77.9-35.7177.4-73-176.9172.300113.4R540 E541 Q542 S546R540-M544 WeakPolarHBondContact O-CG 3.29Å; R540-M544 PolarHBondContact O-N 2.92Å; E541-M544 PolarHBondContact O-N 3.34Å; Q542-M544 VanDerWaalsContact C-N 3.33Å; Q542-M544 PolarHBondContact O-N 3.02Å; M544-S546 PolarHBondContact O-N 2.97Å; M544-S546 VanDerWaalsContact O-N 3.08Å
545N46.2Very low44.5Very low118 Ų118114.2 Ų114.263%0.63166%0.658SS**THydrogen-bonded Turntrans-73.64.2-177-76.3-32.2000115E541 S547E541-N545 WeakPolarHBondContact CG-ND2 3.5Å; E541-N545 VanDerWaalsContact O-CB 3.29Å; E541-N545 WeakPolarHBondContact O-CB 3.42Å; E541-N545 VanDerWaalsContact O-CG 3.23Å; E541-N545 PolarHBondContact O-N 3.1Å; E541-N545 PolarHBondContact O-ND2 3.45Å; E541-N545 VanDerWaalsContact O-ND2 3.1Å; N545-S547 VanDerWaalsContact C-N 3.28Å; N545-S547 PolarHBondContact O-N 2.92Å
546S39.4Very low42.3Very low105 Ų105120.2 Ų120.273%0.73468%0.678SS**THydrogen-bonded Turntrans-81.12.2-178.9-65.50000114.5Q542 M544Q542-S546 PolarHBondContact O-OG 3.23Å; M544-S546 PolarHBondContact O-N 2.97Å; M544-S546 VanDerWaalsContact O-N 3.08Å
547S32.4Very low40.6Very low91 Ų91124.4 Ų124.464%0.63671%0.706SS**SBendtrans-148.2136.5169.160.40000113.4N545N545-S547 VanDerWaalsContact C-N 3.28Å; N545-S547 PolarHBondContact O-N 2.92Å
548M30.1Very low39.2Very low188 Ų188123.2 Ų123.293%0.92671%0.709SS**  trans62.279.3173.2-58.5-58.815500117.4
549S26.1Very low37.6Very low118 Ų118127.8 Ų127.883%0.82573%0.728SS**  trans-91.9118.9164.9179.50000112
550S32.3Very low36.8Very low125 Ų125132.8 Ų132.887%0.87475%0.746SS**  trans174.495.8143.9-82.10000111.4
551G27.4Very low36.9Very low78 Ų78132.3 Ų132.380%0.80474%0.744SS**  trans171.973.917800000113.1G553G551-G553 PolarHBondContact O-N 3.42Å; G551-G553 VanDerWaalsContact O-N 3.08Å
552S28.4Very low37.8Very low132 Ų132130.8 Ų130.892%0.92374%0.743SS**  trans-69.4107.2-173.1-166.50000112.5
553G26Very low39.5Very low63 Ų63126.9 Ų126.965%0.64973%0.726SS**  trans-139.476.1171.700000109.7G551 L555G551-G553 PolarHBondContact O-N 3.42Å; G551-G553 VanDerWaalsContact O-N 3.08Å; G553-L555 PolarHBondContact O-N 2.82Å
554S26.1Very low41.7Very low101 Ų101123.1 Ų123.171%0.70671%0.705SS**  trans-6694.7-172.1-176.60000112.2R556S554-R556 PolarHBondContact O-N 3.37Å
555L27.3Very low44Very low168 Ų168116 Ų11688%0.8867%0.67SS**  trans-7176.6163-88.8164.7000109.5G553G553-L555 PolarHBondContact O-N 2.82Å
556R28.3Very low46.4Very low212 Ų212111.6 Ų111.680%0.864%0.644SS**  trans-49.3140.7154.4-66.2178.1175178.7-2.8108S554 S558S554-R556 PolarHBondContact O-N 3.37Å; R556-S558 VanDerWaalsContact C-N 3.33Å; R556-S558 PolarHBondContact O-N 2.94Å
557T32.2Very low49.1Very low137 Ų137106.6 Ų106.684%0.8461%0.609SS**  trans-59.991.1178.438.50000110.7E559T557-E559 PolarHBondContact O-N 2.8Å
558S34.4Very low52.2Low81 Ų81102.9 Ų102.957%0.56658%0.582SS**  trans-62.6129.9-178.4-175.70000109.6R556R556-S558 VanDerWaalsContact C-N 3.33Å; R556-S558 PolarHBondContact O-N 2.94Å
559E33.4Very low55.2Low180 Ų18095.8 Ų95.884%0.84155%0.546SS*.SBendtrans-55.4148.8162.6-60.9-178.7127.900109.4T557 R561T557-E559 PolarHBondContact O-N 2.8Å; E559-R561 PolarHBondContact O-N 3.45Å
560K48.4Very low58.5Low202 Ų20295.7 Ų95.788%0.87854%0.536SS*.  trans-35.697-167-61.6174.8-179.5178.20114.7S562K560-S562 PolarHBondContact O-N 2.88Å
561R54.5Low61.4Low158 Ų15890.6 Ų90.660%0.59650%0.498SS*.  trans-84.888.6156.9-77.4-176.7169.1-1272.3108.7E559 E906E559-R561 PolarHBondContact O-N 3.45Å; R561-E906 IonicContact CZ-OE1 2.73Å; R561-E906 IonicContact NH1-OE1 3.85Å; R561-E906 PolarHBondContact NH1-OE1 2.82Å; R561-E906 IonicContact NH1-OE2 3.13Å; R561-E906 PolarHBondContact NH1-OE2 2.81Å; R561-E906 IonicContact NH2-OE1 3.16Å
562S73.8Confident64.3Low58 Ų5890.1 Ų90.141%0.40648%0.477SS..  trans-73.4144.4158.270.60000108.5K560 H593 V594K560-S562 PolarHBondContact O-N 2.88Å; S562-H593 WeakPolarHBondContact CB-NE2 3.34Å; S562-H593 PolarHBondContact OG-NE2 2.81Å; S562-V594 CarbonylContact C-O 3.36Å; S562-V594 VanDerWaalsContact CA-O 3.24Å; S562-V594 WeakPolarHBondContact CA-O 3.32Å; S562-V594 WeakPolarHBondContact CB-O 3.5Å
563L89.3Confident67Low50 Ų5089.6 Ų89.626%0.26246%0.455SS..EExtended strand (participates in β ladder)trans-146.3157.5-167.162.685.2000111V565 V594 L908L563-V565 HydrophobicContact CD1-CG1 3.49Å; L563-V565 VanDerWaalsContact CD1-CG1 3.49Å; L563-V594 HydrophobicContact CD1-CB 4.03Å; L563-V594 HydrophobicContact CD1-CG2 4.15Å; L563-V594 HydrophobicContact CG-CB 4.27Å; L563-V594 PolarHBondContact N-O 2.65Å; L563-V594 PolarHBondContact O-N 3.28Å; L563-L908 HydrophobicContact CD1-CD2 3.59Å; L563-L908 HydrophobicContact CD2-CD2 4.05Å
564Y93.8Very high69.8Low72 Ų7290.7 Ų90.728%0.28246%0.458SS..EExtended strand (participates in β ladder)trans-102.7137.5178.5-59.5-92.6000110L592 H593 V608 V710 W901Y564-L592 WeakPolarHBondContact CA-O 3.21Å; Y564-H593 HydrophobicContact CD1-CB 3.81Å; Y564-H593 HydrophobicContact CE1-CB 3.64Å; Y564-H593 AromaticContact CE1-CG 3.61Å; Y564-H593 AromaticContact CE1-ND1 3.64Å; Y564-H593 AromaticContact CZ-CE1 3.86Å; Y564-H593 AromaticContact CZ-CG 3.94Å; Y564-H593 AromaticContact CZ-ND1 3.66Å; Y564-H593 PolarHBondContact OH-ND1 2.85Å; Y564-V608 HydrophobicContact CD1-CG2 4.1Å; Y564-V608 HydrophobicContact CE1-CG2 4.05Å; Y564-V710 PolarHBondContact O-N 3.07Å; Y564-W901 AromaticContact CD1-CH2 3.47Å; Y564-W901 HydrophobicContact CD1-CH2 3.47Å; Y564-W901 VanDerWaalsContact CD1-CH2 3.47Å; Y564-W901 HydrophobicContact CD1-CZ2 4.42Å; Y564-W901 AromaticContact CD1-CZ3 3.77Å; Y564-W901 HydrophobicContact CD1-CZ3 3.77Å; Y564-W901 HydrophobicContact CD2-CH2 4.24Å; Y564-W901 HydrophobicContact CD2-CZ3 4Å; Y564-W901 AromaticContact CE1-CH2 3.76Å; Y564-W901 HydrophobicContact CE1-CH2 3.76Å; Y564-W901 HydrophobicContact CE1-CZ3 4.41Å; Y564-W901 AromaticContact CG-CH2 3.74Å; Y564-W901 HydrophobicContact CG-CH2 3.74Å; Y564-W901 AromaticContact CG-CZ3 3.53Å; Y564-W901 HydrophobicContact CG-CZ3 3.53Å
565V95.4Very high72.5Confident0 Ų095.8 Ų95.80%046%0.461CS..EExtended strand (participates in β ladder)trans-126.9151.7172-56.30000111.1L563 I591 L592 V594 Y707 E708 L908L563-V565 HydrophobicContact CD1-CG1 3.49Å; L563-V565 VanDerWaalsContact CD1-CG1 3.49Å; V565-I591 CarbonylContact O-C 3.1Å; V565-I591 WeakPolarHBondContact O-CA 3.37Å; V565-L592 HydrophobicContact CG2-CB 3.88Å; V565-L592 HydrophobicContact CG2-CD1 4.42Å; V565-L592 PolarHBondContact N-O 3.17Å; V565-L592 PolarHBondContact O-N 2.97Å; V565-V594 HydrophobicContact CG1-CG2 4.24Å; V565-V594 HydrophobicContact CG2-CG2 3.99Å; V565-Y707 HydrophobicContact CB-CD1 4.43Å; V565-Y707 HydrophobicContact CG2-CD1 3.73Å; V565-Y707 HydrophobicContact CG2-CE1 4.41Å; V565-Y707 HydrophobicContact CG2-CG 4.22Å; V565-E708 CarbonylContact C-O 3.58Å; V565-E708 WeakPolarHBondContact CA-O 3.44Å; V565-E708 WeakPolarHBondContact CB-O 3.44Å; V565-L908 HydrophobicContact CG1-CD1 3.73Å; V565-L908 HydrophobicContact CG1-CD2 3.91Å; V565-L908 HydrophobicContact CG1-CG 4.4Å
566R95.9Very high74.9Confident24 Ų2488.3 Ų88.39%0.09142%0.422CS..EExtended strand (participates in β ladder)trans-91.8131.9159.1-160.3-172.1-45.8109.420.4108.8G589 D590 I591 Y707 E708 V710R566-G589 WeakPolarHBondContact CG-O 3.35Å; R566-D590 CarbonylContact C-O 3.6Å; R566-D590 WeakPolarHBondContact CA-O 3.45Å; R566-I591 HydrophobicContact CB-CD1 4.05Å; R566-I591 HydrophobicContact CG-CD1 3.93Å; R566-Y707 WeakPolarHBondContact O-CA 3.46Å; R566-E708 IonicContact CZ-OE2 3.48Å; R566-E708 PolarHBondContact N-O 2.81Å; R566-E708 IonicContact NH1-OE2 2.8Å; R566-E708 PolarHBondContact NH1-OE2 3.39Å; R566-E708 IonicContact NH2-OE2 3.32Å; R566-E708 PolarHBondContact NH2-OE2 3.23Å; R566-E708 PolarHBondContact O-N 2.85Å; R566-V710 HydrophobicContact CB-CG1 4.06Å
567A96.8Very high76.5Confident0 Ų084.3 Ų84.30%043%0.427CS..EExtended strand (participates in β ladder)trans-71.2131.5168.800000110.5F586 S587 G589 D590 L592A567-F586 HydrophobicContact CB-CD2 3.43Å; A567-F586 VanDerWaalsContact CB-CD2 3.43Å; A567-F586 HydrophobicContact CB-CE2 3.56Å; A567-F586 HydrophobicContact CB-CG 4.49Å; A567-S587 WeakPolarHBondContact CB-O 3.47Å; A567-G589 PolarHBondContact O-N 2.85Å; A567-D590 PolarHBondContact N-O 2.99Å; A567-L592 HydrophobicContact CB-CD1 4.41Å
568L95.9Very high78.1Confident13 Ų1382 Ų827%0.06842%0.415CS..SBendtrans-106.515.8175.5-57179.8000112.6Y588 L705 S706 E708 E870L568-Y588 HydrophobicContact CB-CE2 4.26Å; L568-Y588 HydrophobicContact CD2-CE2 4.37Å; L568-Y588 VanDerWaalsContact O-CD2 3.23Å; L568-Y588 WeakPolarHBondContact O-CD2 3.33Å; L568-Y588 WeakPolarHBondContact O-CE2 3.47Å; L568-L705 HydrophobicContact CB-CB 3.86Å; L568-L705 HydrophobicContact CB-CD2 4.44Å; L568-L705 HydrophobicContact CD1-CD2 4.3Å; L568-L705 WeakPolarHBondContact O-CB 3.34Å; L568-S706 PolarHBondContact N-O 2.54Å; L568-E708 HydrophobicContact CD1-CB 4.26Å; L568-E870 HydrophobicContact CD1-CB 4.28Å
569F94.8Very high79.7Confident40 Ų4080.3 Ų80.318%0.17540%0.399CS..SBendtrans-155.4158.3177.967.6-77.8000110.5F586 V626 S706 Y707F569-F586 HydrophobicContact CD2-CE2 4.48Å; F569-F586 HydrophobicContact CE1-CE2 4.19Å; F569-F586 HydrophobicContact CE1-CZ 4.3Å; F569-F586 HydrophobicContact CE2-CE2 4.02Å; F569-F586 AromaticContact CE2-CZ 3.93Å; F569-F586 HydrophobicContact CE2-CZ 3.93Å; F569-F586 AromaticContact CZ-CE2 3.85Å; F569-F586 HydrophobicContact CZ-CE2 3.85Å; F569-F586 AromaticContact CZ-CZ 3.62Å; F569-F586 HydrophobicContact CZ-CZ 3.62Å; F569-F586 WeakPolarHBondContact O-CE2 3.3Å; F569-V626 HydrophobicContact CD1-CG1 4.31Å; F569-V626 HydrophobicContact CE1-CG1 4Å; F569-V626 HydrophobicContact CE1-CG2 3.92Å; F569-V626 HydrophobicContact CE2-CG1 4.48Å; F569-V626 HydrophobicContact CE2-CG2 4.11Å; F569-V626 HydrophobicContact CZ-CB 4.43Å; F569-V626 HydrophobicContact CZ-CG1 4.1Å; F569-V626 HydrophobicContact CZ-CG2 3.43Å; F569-V626 VanDerWaalsContact CZ-CG2 3.43Å; F569-S706 WeakPolarHBondContact CD1-O 3.42Å; F569-S706 VanDerWaalsContact CE1-O 3.28Å; F569-S706 WeakPolarHBondContact CE1-O 3.48Å; F569-Y707 HydrophobicContact CE1-CD1 4.32Å; F569-Y707 AromaticContact CE1-CE1 3.88Å; F569-Y707 HydrophobicContact CE1-CE1 3.88Å; F569-Y707 HydrophobicContact CE1-CE2 4.17Å; F569-Y707 AromaticContact CE1-CZ 3.82Å; F569-Y707 HydrophobicContact CZ-CE1 4.19Å; F569-Y707 HydrophobicContact CZ-CE2 4.36Å; F569-Y707 AromaticContact CZ-CZ 3.83Å
570D93.7Very high81.1Confident115 Ų11574 Ų7462%0.61537%0.374SS*.  trans-83.1131.8173.9-48.2-57000110.8Y588D570-Y588 PolarHBondContact OD1-N 3.26Å
571Y93.4Very high81.6Confident18 Ų1868.4 Ų68.47%0.07136%0.361CS..BIsolated β-bridgetrans-122.2111.8174.3-178.3-113.4000111.6R573 D576 L579 L584 S585 F586 P621Y571-R573 HydrophobicContact CE1-CB 4.3Å; Y571-D576 HydrophobicContact CE2-CB 4.19Å; Y571-L579 WeakPolarHBondContact OH-CD1 3.12Å; Y571-L584 VanDerWaalsContact CD1-O 3.27Å; Y571-L584 WeakPolarHBondContact CD1-O 3.26Å; Y571-L584 WeakPolarHBondContact CE1-O 3.1Å; Y571-S585 CarbonylContact O-C 3.58Å; Y571-S585 WeakPolarHBondContact O-CA 3.48Å; Y571-S585 VanDerWaalsContact O-CB 3.25Å; Y571-S585 WeakPolarHBondContact O-CB 3.44Å; Y571-F586 VanDerWaalsContact CB-CE1 3.49Å; Y571-F586 HydrophobicContact CD1-CD1 4.06Å; Y571-F586 AromaticContact CD1-CE1 3.6Å; Y571-F586 HydrophobicContact CD1-CE1 3.6Å; Y571-F586 HydrophobicContact CD1-CZ 4.23Å; Y571-F586 HydrophobicContact CG-CD1 4.47Å; Y571-F586 AromaticContact CG-CE1 3.85Å; Y571-F586 HydrophobicContact CG-CE1 3.85Å; Y571-F586 AromaticContact CG-CZ 4Å; Y571-F586 HydrophobicContact CG-CZ 4Å; Y571-F586 PolarHBondContact N-O 3.28Å; Y571-F586 PolarHBondContact O-N 3.14Å; Y571-P621 HydrophobicContact CD1-CG 4.29Å; Y571-P621 HydrophobicContact CD2-CG 3.68Å; Y571-P621 HydrophobicContact CE1-CG 4.05Å; Y571-P621 HydrophobicContact CE2-CG 3.41Å; Y571-P621 VanDerWaalsContact CE2-CG 3.41Å; Y571-P621 HydrophobicContact CG-CG 4.12Å
572D89.4Confident82.4Confident68 Ų6867 Ų6736%0.36436%0.361SS..  trans-101114.5167.517421.5000110.6A574 R575D572-A574 PolarHBondContact O-N 3.1Å; D572-A574 WeakPolarHBondContact OD1-CB 3.22Å; D572-A574 PolarHBondContact OD1-N 2.72Å; D572-R575 HydrophobicContact CB-CG 4.39Å; D572-R575 PolarHBondContact O-N 3.35Å; D572-R575 VanDerWaalsContact O-N 3.07Å; D572-R575 WeakPolarHBondContact OD2-CD 3.29Å; D572-R575 WeakPolarHBondContact OD2-CG 3.06Å
573R85.4Confident82.8Confident122 Ų12264.4 Ų64.446%0.4634%0.343SS..G310 helixtrans-54.5-30.1175.477.7-173.5-175.1154.12.9113.7Y571 R575 L579 G583 S585Y571-R573 HydrophobicContact CE1-CB 4.3Å; R573-R575 PolarHBondContact O-N 2.75Å; R573-L579 HydrophobicContact CB-CD2 3.69Å; R573-L579 WeakPolarHBondContact O-CD2 3.33Å; R573-G583 WeakPolarHBondContact CD-O 3.48Å; R573-G583 PolarHBondContact NH1-O 3.09Å; R573-G583 VanDerWaalsContact NH1-O 3.16Å; R573-S585 WeakPolarHBondContact CB-OG 3.38Å; R573-S585 VanDerWaalsContact CG-OG 3.28Å; R573-S585 WeakPolarHBondContact CG-OG 3.48Å; R573-S585 PolarHBondContact N-OG 3.14Å
574A83.6Confident82.9Confident86 Ų8662.7 Ų62.771%0.71133%0.334SS*.G310 helixtrans-70.8-13-179.300000113D572D572-A574 PolarHBondContact O-N 3.1Å; D572-A574 WeakPolarHBondContact OD1-CB 3.22Å; D572-A574 PolarHBondContact OD1-N 2.72Å
575R82.6Confident82.9Confident208 Ų20861.5 Ų61.579%0.78534%0.336SS*.G310 helixtrans-103.9-0.2-176.9-65.6173.266.7-155.8-0.6114.5D572 R573D572-R575 HydrophobicContact CB-CG 4.39Å; D572-R575 PolarHBondContact O-N 3.35Å; D572-R575 VanDerWaalsContact O-N 3.07Å; D572-R575 WeakPolarHBondContact OD2-CD 3.29Å; D572-R575 WeakPolarHBondContact OD2-CG 3.06Å; R573-R575 PolarHBondContact O-N 2.75Å
576D78.3Confident82.8Confident11 Ų1161.9 Ų61.96%0.05934%0.338CS..  trans-111.698.5173.3-160-44.2000110.4Y571 C578 L579 R625 K629Y571-D576 HydrophobicContact CE2-CB 4.19Å; D576-C578 PolarHBondContact O-N 2.89Å; D576-C578 WeakPolarHBondContact OD1-CB 3.44Å; D576-C578 PolarHBondContact OD1-N 3.42Å; D576-C578 VanDerWaalsContact OD1-N 3.08Å; D576-L579 HydrophobicContact CB-CB 4.39Å; D576-L579 WeakPolarHBondContact O-CB 3.45Å; D576-L579 PolarHBondContact O-N 3.06Å; D576-R625 VanDerWaalsContact CG-NH2 3.35Å; D576-R625 IonicContact OD1-NH2 2.71Å; D576-R625 PolarHBondContact OD1-NH2 3.43Å; D576-R625 IonicContact OD2-CZ 3.68Å; D576-R625 IonicContact OD2-NE 2.64Å; D576-R625 IonicContact OD2-NH2 2.9Å; D576-R625 PolarHBondContact OD2-NH2 2.88Å; D576-K629 IonicContact OD2-NZ 3.48Å; D576-K629 PolarHBondContact OD2-NZ 3.07Å; D576-K629 VanDerWaalsContact OD2-NZ 3.07Å
577S61.7Low82.8Confident127 Ų12763.7 Ų63.789%0.88835%0.354SS*.THydrogen-bonded Turntrans-69.8-5.2179.952.50000114.4
578C66.3Low82.8Confident88 Ų8864.7 Ų64.760%0.59536%0.358SS*.THydrogen-bonded Turntrans-1006.3174.8-56.70000112.8D576 W602D576-C578 PolarHBondContact O-N 2.89Å; D576-C578 WeakPolarHBondContact OD1-CB 3.44Å; D576-C578 PolarHBondContact OD1-N 3.42Å; D576-C578 VanDerWaalsContact OD1-N 3.08Å; C578-W602 WeakPolarHBondContact O-CZ2 3.39Å
579L67.9Low82.7Confident46 Ų4664.8 Ų64.824%0.24136%0.362CS..PPolyproline II helixtrans-66.8130-177.9171.168.5000112.6Y571 R573 D576 G583 W602Y571-L579 WeakPolarHBondContact OH-CD1 3.12Å; R573-L579 HydrophobicContact CB-CD2 3.69Å; R573-L579 WeakPolarHBondContact O-CD2 3.33Å; D576-L579 HydrophobicContact CB-CB 4.39Å; D576-L579 WeakPolarHBondContact O-CB 3.45Å; D576-L579 PolarHBondContact O-N 3.06Å; L579-G583 VanDerWaalsContact CD1-CA 3.42Å; L579-W602 HydrophobicContact CB-CH2 4.2Å; L579-W602 HydrophobicContact CD1-CH2 3.99Å; L579-W602 HydrophobicContact CD1-CZ3 3.85Å
580P62Low82.7Confident48 Ų4865 Ų6531%0.31237%0.365SS..PPolyproline II helixtrans-66.8148.6167.128.7-35.9000111.6Q582 G583 W602 V619P580-Q582 PolarHBondContact O-N 2.87Å; P580-G583 PolarHBondContact O-N 2.99Å; P580-W602 VanDerWaalsContact CD-CE2 3.41Å; P580-W602 HydrophobicContact CG-CD2 4.1Å; P580-W602 HydrophobicContact CG-CG 4.16Å; P580-V619 HydrophobicContact CG-CB 4.26Å; P580-V619 HydrophobicContact CG-CG1 3.81Å; P580-V619 HydrophobicContact CG-CG2 4.36Å
581S59.8Low82.8Confident85 Ų8560.4 Ų60.459%0.59434%0.34SS*.SBendtrans-52.2130.6177.555.10000111.5
582Q70.6Confident82.9Confident129 Ų12959.5 Ų59.560%0.60334%0.337SS*.SBendtrans88.434.1-170.9-52.1173.2-9.400116.7P580 G618 V619P580-Q582 PolarHBondContact O-N 2.87Å; Q582-G618 CarbonylContact O-C 3.59Å; Q582-G618 VanDerWaalsContact O-CA 3.25Å; Q582-G618 WeakPolarHBondContact O-CA 3.48Å; Q582-V619 PolarHBondContact O-N 3.12Å
583G82.8Confident83.2Confident3 Ų357 Ų573%0.03132%0.323CS..BIsolated β-bridgetrans-58.8140.3165.400000114.1R573 L579 P580 V619R573-G583 WeakPolarHBondContact CD-O 3.48Å; R573-G583 PolarHBondContact NH1-O 3.09Å; R573-G583 VanDerWaalsContact NH1-O 3.16Å; L579-G583 VanDerWaalsContact CD1-CA 3.42Å; P580-G583 PolarHBondContact O-N 2.99Å; G583-V619 WeakPolarHBondContact CA-O 3.47Å
584L90.6Very high83.5Confident14 Ų1451.3 Ų51.37%0.07330%0.302CS..  trans-106.5119.9175.8176.966.8000109.2Y571 V619 I620Y571-L584 VanDerWaalsContact CD1-O 3.27Å; Y571-L584 WeakPolarHBondContact CD1-O 3.26Å; Y571-L584 WeakPolarHBondContact CE1-O 3.1Å; L584-V619 PolarHBondContact N-O 2.76Å; L584-I620 HydrophobicContact CB-CG2 4.02Å; L584-I620 HydrophobicContact CD2-CG2 4.11Å; L584-I620 HydrophobicContact CG-CG2 4.36Å
585S93.5Very high83.8Confident47 Ų4750 Ų5033%0.32928%0.282SS..  trans-81.1152.1171.4-60.70000110.9Y571 R573Y571-S585 CarbonylContact O-C 3.58Å; Y571-S585 WeakPolarHBondContact O-CA 3.48Å; Y571-S585 VanDerWaalsContact O-CB 3.25Å; Y571-S585 WeakPolarHBondContact O-CB 3.44Å; R573-S585 WeakPolarHBondContact CB-OG 3.38Å; R573-S585 VanDerWaalsContact CG-OG 3.28Å; R573-S585 WeakPolarHBondContact CG-OG 3.48Å; R573-S585 PolarHBondContact N-OG 3.14Å
586F94.9Very high83.9Confident8 Ų842.9 Ų42.94%0.03526%0.26CS..BIsolated β-bridgetrans-156.3165.4176.357.1-95.4000110.9A567 F569 Y571 D590 L592 I620 Y707A567-F586 HydrophobicContact CB-CD2 3.43Å; A567-F586 VanDerWaalsContact CB-CD2 3.43Å; A567-F586 HydrophobicContact CB-CE2 3.56Å; A567-F586 HydrophobicContact CB-CG 4.49Å; F569-F586 HydrophobicContact CD2-CE2 4.48Å; F569-F586 HydrophobicContact CE1-CE2 4.19Å; F569-F586 HydrophobicContact CE1-CZ 4.3Å; F569-F586 HydrophobicContact CE2-CE2 4.02Å; F569-F586 AromaticContact CE2-CZ 3.93Å; F569-F586 HydrophobicContact CE2-CZ 3.93Å; F569-F586 AromaticContact CZ-CE2 3.85Å; F569-F586 HydrophobicContact CZ-CE2 3.85Å; F569-F586 AromaticContact CZ-CZ 3.62Å; F569-F586 HydrophobicContact CZ-CZ 3.62Å; F569-F586 WeakPolarHBondContact O-CE2 3.3Å; Y571-F586 VanDerWaalsContact CB-CE1 3.49Å; Y571-F586 HydrophobicContact CD1-CD1 4.06Å; Y571-F586 AromaticContact CD1-CE1 3.6Å; Y571-F586 HydrophobicContact CD1-CE1 3.6Å; Y571-F586 HydrophobicContact CD1-CZ 4.23Å; Y571-F586 HydrophobicContact CG-CD1 4.47Å; Y571-F586 AromaticContact CG-CE1 3.85Å; Y571-F586 HydrophobicContact CG-CE1 3.85Å; Y571-F586 AromaticContact CG-CZ 4Å; Y571-F586 HydrophobicContact CG-CZ 4Å; Y571-F586 PolarHBondContact N-O 3.28Å; Y571-F586 PolarHBondContact O-N 3.14Å; F586-D590 WeakPolarHBondContact CA-OD2 3.36Å; F586-D590 HydrophobicContact CB-CB 4.18Å; F586-D590 WeakPolarHBondContact CB-OD2 3.36Å; F586-L592 HydrophobicContact CB-CD1 4.5Å; F586-L592 HydrophobicContact CB-CD2 4.1Å; F586-L592 HydrophobicContact CD1-CD1 3.83Å; F586-L592 HydrophobicContact CD1-CD2 4.49Å; F586-L592 HydrophobicContact CD2-CD1 4.17Å; F586-L592 HydrophobicContact CE1-CD1 4.01Å; F586-L592 HydrophobicContact CE2-CD1 4.33Å; F586-L592 HydrophobicContact CG-CD1 3.9Å; F586-L592 HydrophobicContact CG-CD2 4.36Å; F586-L592 HydrophobicContact CZ-CD1 4.25Å; F586-I620 HydrophobicContact CD1-CG2 3.84Å; F586-I620 HydrophobicContact CE1-CB 3.8Å; F586-I620 HydrophobicContact CE1-CG2 3.58Å; F586-Y707 HydrophobicContact CE2-CE1 4.16Å; F586-Y707 AromaticContact CZ-CE1 3.86Å; F586-Y707 HydrophobicContact CZ-CE1 3.86Å; F586-Y707 WeakPolarHBondContact CZ-OH 3.21Å
587S95.1Very high84.3Confident62 Ų6244.3 Ų44.343%0.43427%0.273SS..  trans-111.6165.5-178.1-42.90000111.7A567 G589 D590A567-S587 WeakPolarHBondContact CB-O 3.47Å; S587-G589 PolarHBondContact O-N 2.95Å; S587-D590 PolarHBondContact N-OD2 3.39Å; S587-D590 WeakPolarHBondContact O-CB 3.49Å; S587-D590 PolarHBondContact O-N 3.24Å
588Y96.1Very high85.1Confident21 Ų2143 Ų438%0.08226%0.264CS..THydrogen-bonded Turntrans-53.5129.9165.7-176.9-73.9000110.8L568 D570 G869 F872 I875L568-Y588 HydrophobicContact CB-CE2 4.26Å; L568-Y588 HydrophobicContact CD2-CE2 4.37Å; L568-Y588 VanDerWaalsContact O-CD2 3.23Å; L568-Y588 WeakPolarHBondContact O-CD2 3.33Å; L568-Y588 WeakPolarHBondContact O-CE2 3.47Å; D570-Y588 PolarHBondContact OD1-N 3.26Å; Y588-G869 WeakPolarHBondContact CE2-O 3.49Å; Y588-G869 PolarHBondContact OH-O 3.04Å; Y588-F872 HydrophobicContact CE1-CB 4.15Å; Y588-F872 WeakPolarHBondContact OH-CB 3.23Å; Y588-F872 PolarHBondContact OH-O 2.77Å; Y588-I875 HydrophobicContact CD1-CB 4.31Å; Y588-I875 HydrophobicContact CD1-CD1 4.14Å; Y588-I875 HydrophobicContact CD1-CG1 3.83Å; Y588-I875 HydrophobicContact CD2-CD1 3.6Å; Y588-I875 HydrophobicContact CD2-CG1 4.23Å; Y588-I875 HydrophobicContact CE1-CD1 4.22Å; Y588-I875 HydrophobicContact CE1-CG1 3.89Å; Y588-I875 HydrophobicContact CE2-CD1 3.66Å; Y588-I875 HydrophobicContact CE2-CG1 4.26Å; Y588-I875 HydrophobicContact CG-CB 4.48Å; Y588-I875 HydrophobicContact CG-CD1 3.88Å; Y588-I875 HydrophobicContact CG-CG1 4.04Å
589G94.8Very high85.8Confident15 Ų1542.6 Ų42.616%0.15526%0.256CS..THydrogen-bonded Turntrans95-16.7178.300000114.5R566 A567 S587R566-G589 WeakPolarHBondContact CG-O 3.35Å; A567-G589 PolarHBondContact O-N 2.85Å; S587-G589 PolarHBondContact O-N 2.95Å
590D95.3Very high86.4Confident44 Ų4445 Ų4524%0.23527%0.269CS..  trans-59.7140.8179.4-79.5-8.5000111.9R566 A567 F586 S587 L607R566-D590 CarbonylContact C-O 3.6Å; R566-D590 WeakPolarHBondContact CA-O 3.45Å; A567-D590 PolarHBondContact N-O 2.99Å; F586-D590 WeakPolarHBondContact CA-OD2 3.36Å; F586-D590 HydrophobicContact CB-CB 4.18Å; F586-D590 WeakPolarHBondContact CB-OD2 3.36Å; S587-D590 PolarHBondContact N-OD2 3.39Å; S587-D590 WeakPolarHBondContact O-CB 3.49Å; S587-D590 PolarHBondContact O-N 3.24Å; D590-L607 HydrophobicContact CB-CD1 3.75Å
591I95.6Very high87.4Confident18 Ų1845.1 Ų45.19%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-95.8122.9175.3-53.3-66.5000109.1V565 R566 V608 V710 W901V565-I591 CarbonylContact O-C 3.1Å; V565-I591 WeakPolarHBondContact O-CA 3.37Å; R566-I591 HydrophobicContact CB-CD1 4.05Å; R566-I591 HydrophobicContact CG-CD1 3.93Å; I591-V608 HydrophobicContact CB-CB 4.21Å; I591-V608 HydrophobicContact CG2-CB 4.03Å; I591-V608 HydrophobicContact CG2-CG2 4.33Å; I591-V608 PolarHBondContact O-N 3.01Å; I591-V710 HydrophobicContact CD1-CG2 4.28Å; I591-V710 HydrophobicContact CG2-CG2 4.44Å; I591-W901 HydrophobicContact CD1-CB 3.75Å; I591-W901 HydrophobicContact CD1-CD2 4.3Å; I591-W901 HydrophobicContact CD1-CG 3.72Å; I591-W901 HydrophobicContact CG1-CB 4.44Å; I591-W901 HydrophobicContact CG1-CD2 4.34Å; I591-W901 HydrophobicContact CG1-CG 3.91Å; I591-W901 HydrophobicContact CG2-CD2 3.92Å; I591-W901 HydrophobicContact CG2-CE3 4.21Å; I591-W901 HydrophobicContact CG2-CG 4.37Å; I591-W901 HydrophobicContact CG2-CH2 4.33Å; I591-W901 HydrophobicContact CG2-CZ2 4.06Å; I591-W901 HydrophobicContact CG2-CZ3 4.4Å
592L95.9Very high88.8Confident0 Ų043 Ų430%024%0.244CC..EExtended strand (participates in β ladder)trans-116.5124.4-177.6-54.9174.3000109.5Y564 V565 A567 F586 V594 R606 L607 I620 Y707Y564-L592 WeakPolarHBondContact CA-O 3.21Å; V565-L592 HydrophobicContact CG2-CB 3.88Å; V565-L592 HydrophobicContact CG2-CD1 4.42Å; V565-L592 PolarHBondContact N-O 3.17Å; V565-L592 PolarHBondContact O-N 2.97Å; A567-L592 HydrophobicContact CB-CD1 4.41Å; F586-L592 HydrophobicContact CB-CD1 4.5Å; F586-L592 HydrophobicContact CB-CD2 4.1Å; F586-L592 HydrophobicContact CD1-CD1 3.83Å; F586-L592 HydrophobicContact CD1-CD2 4.49Å; F586-L592 HydrophobicContact CD2-CD1 4.17Å; F586-L592 HydrophobicContact CE1-CD1 4.01Å; F586-L592 HydrophobicContact CE2-CD1 4.33Å; F586-L592 HydrophobicContact CG-CD1 3.9Å; F586-L592 HydrophobicContact CG-CD2 4.36Å; F586-L592 HydrophobicContact CZ-CD1 4.25Å; L592-V594 PolarHBondContact O-N 3.28Å; L592-R606 WeakPolarHBondContact CA-O 3.46Å; L592-L607 HydrophobicContact CD2-CD1 3.94Å; L592-I620 HydrophobicContact CD1-CD1 3.81Å; L592-Y707 HydrophobicContact CD1-CE1 4.04Å
593H94.6Very high89.7Confident15 Ų1537.9 Ų37.97%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-83.7105.4166.5-173.8171.7000107.9S562 Y564 I595 A605 R606 V608 E613S562-H593 WeakPolarHBondContact CB-NE2 3.34Å; S562-H593 PolarHBondContact OG-NE2 2.81Å; Y564-H593 HydrophobicContact CD1-CB 3.81Å; Y564-H593 HydrophobicContact CE1-CB 3.64Å; Y564-H593 AromaticContact CE1-CG 3.61Å; Y564-H593 AromaticContact CE1-ND1 3.64Å; Y564-H593 AromaticContact CZ-CE1 3.86Å; Y564-H593 AromaticContact CZ-CG 3.94Å; Y564-H593 AromaticContact CZ-ND1 3.66Å; Y564-H593 PolarHBondContact OH-ND1 2.85Å; H593-I595 PolarHBondContact O-N 2.86Å; H593-A605 CarbonylContact O-C 3.53Å; H593-A605 WeakPolarHBondContact O-CA 3.25Å; H593-A605 WeakPolarHBondContact O-CB 3.25Å; H593-R606 HydrophobicContact CB-CG 4.07Å; H593-R606 PolarHBondContact N-O 2.55Å; H593-R606 PolarHBondContact O-N 3.46Å; H593-V608 HydrophobicContact CB-CG2 3.82Å; H593-E613 IonicContact CE1-OE1 2.75Å; H593-E613 PolarHBondContact CE1-OE1 3.29Å; H593-E613 IonicContact CG-OE1 3.55Å; H593-E613 IonicContact ND1-OE1 3.38Å; H593-E613 PolarHBondContact ND1-OE1 3.48Å
594V92.7Very high90Very high2 Ų242 Ų421%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-77106.2172.4-175.70000108.3S562 L563 V565 L592 A597 W603 Q604 A605 I620S562-V594 CarbonylContact C-O 3.36Å; S562-V594 VanDerWaalsContact CA-O 3.24Å; S562-V594 WeakPolarHBondContact CA-O 3.32Å; S562-V594 WeakPolarHBondContact CB-O 3.5Å; L563-V594 HydrophobicContact CD1-CB 4.03Å; L563-V594 HydrophobicContact CD1-CG2 4.15Å; L563-V594 HydrophobicContact CG-CB 4.27Å; L563-V594 PolarHBondContact N-O 2.65Å; L563-V594 PolarHBondContact O-N 3.28Å; V565-V594 HydrophobicContact CG1-CG2 4.24Å; V565-V594 HydrophobicContact CG2-CG2 3.99Å; L592-V594 PolarHBondContact O-N 3.28Å; V594-A597 HydrophobicContact CG1-CB 3.94Å; V594-W603 HydrophobicContact CG1-CB 4.11Å; V594-W603 HydrophobicContact CG1-CD2 4.36Å; V594-W603 HydrophobicContact CG1-CE3 4.25Å; V594-W603 HydrophobicContact CG1-CG 4.37Å; V594-W603 HydrophobicContact CG2-CE3 4.18Å; V594-Q604 CarbonylContact C-O 3.5Å; V594-A605 HydrophobicContact CG2-CB 4.39Å; V594-I620 HydrophobicContact CG2-CD1 4.35Å
595I89.3Confident90.1Very high58 Ų5841.4 Ų41.430%0.29724%0.235SC..EExtended strand (participates in β ladder)trans-78.3-34.6-179.5-62.6169.8000110.3H593 Q604 R606 I617H593-I595 PolarHBondContact O-N 2.86Å; I595-Q604 PolarHBondContact N-O 3.49Å; I595-R606 HydrophobicContact CD1-CG 4.04Å; I595-I617 HydrophobicContact CD1-CB 4.5Å; I595-I617 HydrophobicContact CD1-CD1 3.64Å; I595-I617 HydrophobicContact CD1-CG1 3.67Å; I595-I617 HydrophobicContact CD1-CG2 4.11Å
596N84.6Confident90.1Very high59 Ų5941.7 Ų41.732%0.31623%0.229SC..EExtended strand (participates in β ladder)trans-146.2123.7175.3-17519.5000111.7S598 W603 Q604N596-S598 PolarHBondContact ND2-OG 3.35Å; N596-S598 WeakPolarHBondContact OD1-CB 3.14Å; N596-S598 PolarHBondContact OD1-N 3.17Å; N596-S598 PolarHBondContact OD1-OG 2.92Å; N596-S598 VanDerWaalsContact OD1-OG 3.1Å; N596-W603 WeakPolarHBondContact O-CA 3.38Å; N596-Q604 HydrophobicContact CB-CB 4.11Å; N596-Q604 HydrophobicContact CB-CG 4.34Å; N596-Q604 PolarHBondContact N-O 2.85Å; N596-Q604 VanDerWaalsContact N-O 3.15Å; N596-Q604 PolarHBondContact ND2-OE1 2.98Å; N596-Q604 PolarHBondContact O-N 3.44Å
597A86.6Confident90.1Very high41 Ų4143.6 Ų43.634%0.33924%0.239SC..  trans-108.811.4176.800000113.4V594 D599 W603V594-A597 HydrophobicContact CG1-CB 3.94Å; A597-D599 PolarHBondContact O-N 3.1Å; A597-W603 HydrophobicContact CB-CD2 4.2Å; A597-W603 HydrophobicContact CB-CG 4.3Å; A597-W603 HydrophobicContact CB-CZ2 4.35Å; A597-W603 PolarHBondContact O-NE1 2.91Å
598S79.4Confident89.9Confident99 Ų9941.5 Ų41.569%0.69222%0.223SC*.  trans-69.4-13.3-17171.70000115.9N596N596-S598 PolarHBondContact ND2-OG 3.35Å; N596-S598 WeakPolarHBondContact OD1-CB 3.14Å; N596-S598 PolarHBondContact OD1-N 3.17Å; N596-S598 PolarHBondContact OD1-OG 2.92Å; N596-S598 VanDerWaalsContact OD1-OG 3.1Å
599D79.6Confident89.5Confident80 Ų8043.1 Ų43.143%0.42824%0.236SC..SBendtrans-103.3135.2-178.5-179.6-63.4000110.3A597 E601 W602 W603A597-D599 PolarHBondContact O-N 3.1Å; D599-E601 VanDerWaalsContact C-N 3.27Å; D599-E601 PolarHBondContact O-N 3.05Å; D599-E601 PolarHBondContact OD1-N 3.37Å; D599-W602 WeakPolarHBondContact CB-O 3.45Å; D599-W602 PolarHBondContact OD1-N 3.46Å; D599-W603 VanDerWaalsContact O-CD1 3.25Å; D599-W603 PolarHBondContact O-NE1 2.95Å
600D80.7Confident88.6Confident98 Ų9846.5 Ų46.552%0.52426%0.255SS..SBendtrans-74.2-16.7-168.8-133.318.1000112.8S622 K624D600-S622 PolarHBondContact O-OG 3Å; D600-K624 HydrophobicContact CB-CD 4.48Å; D600-K624 VanDerWaalsContact CG-CD 3.49Å; D600-K624 WeakPolarHBondContact OD1-CD 3.49Å; D600-K624 WeakPolarHBondContact OD1-CE 3.13Å; D600-K624 IonicContact OD1-NZ 3.96Å; D600-K624 PolarHBondContact OD1-NZ 2.88Å; D600-K624 IonicContact OD2-NZ 2.71Å; D600-K624 PolarHBondContact OD2-NZ 2.75Å
601E84.1Confident87.7Confident49 Ų4953.4 Ų53.423%0.22929%0.286CS..SBendtrans-118.1-28.8-180-70.7-84.4155.700113D599 S622 R625 K628D599-E601 VanDerWaalsContact C-N 3.27Å; D599-E601 PolarHBondContact O-N 3.05Å; D599-E601 PolarHBondContact OD1-N 3.37Å; E601-S622 WeakPolarHBondContact CA-OG 3.37Å; E601-S622 PolarHBondContact O-N 3.22Å; E601-R625 WeakPolarHBondContact O-CD 3.39Å; E601-R625 VanDerWaalsContact OE2-CD 3.29Å; E601-R625 WeakPolarHBondContact OE2-CD 3.4Å; E601-R625 VanDerWaalsContact OE2-CG 3.29Å; E601-R625 WeakPolarHBondContact OE2-CG 3.2Å; E601-R625 IonicContact OE2-CZ 3.73Å; E601-R625 IonicContact OE2-NE 2.71Å; E601-R625 IonicContact OE2-NH1 3.3Å; E601-R625 PolarHBondContact OE2-NH1 2.73Å; E601-K628 IonicContact OE1-NZ 2.93Å; E601-K628 PolarHBondContact OE1-NZ 3.49Å
602W87.3Confident87.1Confident40 Ų4054 Ų5415%0.15230%0.296CS..EExtended strand (participates in β ladder)trans-140.9112.4-169.3-67.1113.8000114.6C578 L579 P580 D599 V619 I620 P621C578-W602 WeakPolarHBondContact O-CZ2 3.39Å; L579-W602 HydrophobicContact CB-CH2 4.2Å; L579-W602 HydrophobicContact CD1-CH2 3.99Å; L579-W602 HydrophobicContact CD1-CZ3 3.85Å; P580-W602 VanDerWaalsContact CD-CE2 3.41Å; P580-W602 HydrophobicContact CG-CD2 4.1Å; P580-W602 HydrophobicContact CG-CG 4.16Å; D599-W602 WeakPolarHBondContact CB-O 3.45Å; D599-W602 PolarHBondContact OD1-N 3.46Å; W602-V619 HydrophobicContact CB-CG1 3.68Å; W602-V619 HydrophobicContact CD2-CG1 4.14Å; W602-V619 HydrophobicContact CE3-CG1 3.79Å; W602-V619 HydrophobicContact CG-CG1 4.14Å; W602-I620 CarbonylContact C-O 3.5Å; W602-P621 HydrophobicContact CZ3-CB 4.29Å; W602-P621 HydrophobicContact CZ3-CG 3.92Å
603W90.6Very high86.7Confident22 Ų2257.7 Ų57.78%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-92.6147.3178.1-65.5-11.8000112.4V594 N596 A597 D599 V619 I620 K623 Y707 L908V594-W603 HydrophobicContact CG1-CB 4.11Å; V594-W603 HydrophobicContact CG1-CD2 4.36Å; V594-W603 HydrophobicContact CG1-CE3 4.25Å; V594-W603 HydrophobicContact CG1-CG 4.37Å; V594-W603 HydrophobicContact CG2-CE3 4.18Å; N596-W603 WeakPolarHBondContact O-CA 3.38Å; A597-W603 HydrophobicContact CB-CD2 4.2Å; A597-W603 HydrophobicContact CB-CG 4.3Å; A597-W603 HydrophobicContact CB-CZ2 4.35Å; A597-W603 PolarHBondContact O-NE1 2.91Å; D599-W603 VanDerWaalsContact O-CD1 3.25Å; D599-W603 PolarHBondContact O-NE1 2.95Å; W603-V619 WeakPolarHBondContact O-CA 3.19Å; W603-I620 HydrophobicContact CB-CD1 4.41Å; W603-I620 HydrophobicContact CB-CG1 3.86Å; W603-I620 HydrophobicContact CE3-CD1 4.5Å; W603-I620 PolarHBondContact N-O 3.1Å; W603-I620 PolarHBondContact O-N 3.49Å; W603-K623 HydrophobicContact CH2-CB 3.41Å; W603-K623 VanDerWaalsContact CH2-CB 3.41Å; W603-K623 HydrophobicContact CZ2-CB 3.86Å; W603-K623 HydrophobicContact CZ3-CB 4.1Å; W603-Y707 HydrophobicContact CE3-CD2 4.49Å; W603-Y707 HydrophobicContact CE3-CE2 4.32Å; W603-Y707 AromaticContact CZ3-CD2 3.85Å; W603-Y707 HydrophobicContact CZ3-CD2 3.85Å; W603-Y707 HydrophobicContact CZ3-CE2 4.1Å; W603-Y707 HydrophobicContact CZ3-CG 4.44Å; W603-L908 HydrophobicContact CH2-CD2 4.43Å
604Q88.4Confident86.3Confident91 Ų9158.8 Ų58.843%0.42532%0.323SS..EExtended strand (participates in β ladder)trans-92.8123.2172.1-56.7-178.2-71.300109.3V594 I595 N596V594-Q604 CarbonylContact C-O 3.5Å; I595-Q604 PolarHBondContact N-O 3.49Å; N596-Q604 HydrophobicContact CB-CB 4.11Å; N596-Q604 HydrophobicContact CB-CG 4.34Å; N596-Q604 PolarHBondContact N-O 2.85Å; N596-Q604 VanDerWaalsContact N-O 3.15Å; N596-Q604 PolarHBondContact ND2-OE1 2.98Å; N596-Q604 PolarHBondContact O-N 3.44Å
605A92.8Very high85.7Confident0 Ų067.9 Ų67.90%037%0.365CS..EExtended strand (participates in β ladder)trans-146.9171.5-174.800000112.8H593 V594 G618 I620H593-A605 CarbonylContact O-C 3.53Å; H593-A605 WeakPolarHBondContact O-CA 3.25Å; H593-A605 WeakPolarHBondContact O-CB 3.25Å; V594-A605 HydrophobicContact CG2-CB 4.39Å; A605-G618 PolarHBondContact N-O 2.98Å; A605-G618 PolarHBondContact O-N 3.5Å; A605-G618 VanDerWaalsContact O-O 3.08Å; A605-I620 HydrophobicContact CB-CD1 3.59Å; A605-I620 HydrophobicContact CB-CG1 3.96Å; A605-I620 HydrophobicContact CB-CG2 4.27Å
606R93.4Very high85.4Confident53 Ų5370.4 Ų70.420%0.238%0.376CS..EExtended strand (participates in β ladder)trans-142151.1170.154.9174168.3164.22.7110.5L592 H593 I595 E613 S614 Q616L592-R606 WeakPolarHBondContact CA-O 3.46Å; H593-R606 HydrophobicContact CB-CG 4.07Å; H593-R606 PolarHBondContact N-O 2.55Å; H593-R606 PolarHBondContact O-N 3.46Å; I595-R606 HydrophobicContact CD1-CG 4.04Å; R606-E613 IonicContact CZ-OE1 3.87Å; R606-E613 IonicContact CZ-OE2 3.49Å; R606-E613 VanDerWaalsContact CZ-OE2 3.3Å; R606-E613 IonicContact NE-OE1 2.77Å; R606-E613 IonicContact NH1-OE2 2.69Å; R606-E613 PolarHBondContact NH1-OE2 3.49Å; R606-E613 IonicContact NH2-OE1 3.62Å; R606-E613 PolarHBondContact NH2-OE1 2.88Å; R606-E613 IonicContact NH2-OE2 2.79Å; R606-E613 PolarHBondContact NH2-OE2 2.89Å; R606-S614 WeakPolarHBondContact CD-O 3.26Å; R606-S614 PolarHBondContact NH1-O 3.29Å; R606-Q616 VanDerWaalsContact CB-O 3.32Å; R606-Q616 WeakPolarHBondContact CB-O 3.46Å
607L94.6Very high85.5Confident49 Ų4971.9 Ų71.926%0.25738%0.383SS..EExtended strand (participates in β ladder)trans-69.8141.4175.3-173.366.1000110.8D590 L592 T609 S614D590-L607 HydrophobicContact CB-CD1 3.75Å; L592-L607 HydrophobicContact CD2-CD1 3.94Å; L607-T609 HydrophobicContact CD2-CG2 4.33Å; L607-T609 HydrophobicContact CG-CG2 4.41Å; L607-S614 WeakPolarHBondContact O-CB 3.5Å; L607-S614 PolarHBondContact O-N 3.2Å
608V92.3Very high85.5Confident17 Ų1770.1 Ų70.110%0.10337%0.368CS..EExtended strand (participates in β ladder)trans-112.4115.6173.3-172.50000109.1Y564 I591 H593 E613 W901Y564-V608 HydrophobicContact CD1-CG2 4.1Å; Y564-V608 HydrophobicContact CE1-CG2 4.05Å; I591-V608 HydrophobicContact CB-CB 4.21Å; I591-V608 HydrophobicContact CG2-CB 4.03Å; I591-V608 HydrophobicContact CG2-CG2 4.33Å; I591-V608 PolarHBondContact O-N 3.01Å; H593-V608 HydrophobicContact CB-CG2 3.82Å; V608-E613 HydrophobicContact CG1-CG 4.41Å; V608-E613 HydrophobicContact CG2-CG 4.43Å; V608-W901 HydrophobicContact CG1-CZ2 4Å
609T86Confident86.1Confident55 Ų5566.4 Ų66.434%0.33734%0.341SS..EExtended strand (participates in β ladder)trans-100167.9-178.4740000110.7L607 H611 G612L607-T609 HydrophobicContact CD2-CG2 4.33Å; L607-T609 HydrophobicContact CG-CG2 4.41Å; T609-H611 PolarHBondContact O-N 3.07Å; T609-H611 PolarHBondContact OG1-N 2.97Å; T609-G612 PolarHBondContact N-O 2.88Å; T609-G612 PolarHBondContact O-N 2.84Å; T609-G612 PolarHBondContact OG1-N 2.82Å; T609-G612 PolarHBondContact OG1-O 3.02Å
610P77.7Confident86.7Confident87 Ų8762.6 Ų62.657%0.56532%0.321SS*.THydrogen-bonded Turntrans-56.2-28.1170.7-25.534.6000114G612 E894P610-G612 VanDerWaalsContact C-N 3.34Å; P610-E894 WeakPolarHBondContact CD-OE1 3.4Å; P610-E894 HydrophobicContact CG-CG 3.66Å; P610-E894 WeakPolarHBondContact CG-OE1 3.4Å
611H76.5Confident87.3Confident189 Ų18958.2 Ų58.288%0.87530%0.298SS*.THydrogen-bonded Turntrans-84.1-7.6178.3-57.2-52.7000113.7T609T609-H611 PolarHBondContact O-N 3.07Å; T609-H611 PolarHBondContact OG1-N 2.97Å
612G82.8Confident87.6Confident30 Ų3055.9 Ų55.931%0.30929%0.287SS..EExtended strand (participates in β ladder)trans128.5-172.9-177.400000113.3T609 P610T609-G612 PolarHBondContact N-O 2.88Å; T609-G612 PolarHBondContact O-N 2.84Å; T609-G612 PolarHBondContact OG1-N 2.82Å; T609-G612 PolarHBondContact OG1-O 3.02Å; P610-G612 VanDerWaalsContact C-N 3.34Å
613E86.1Confident87.8Confident77 Ų7756.5 Ų56.536%0.3629%0.291SS..EExtended strand (participates in β ladder)trans-78.2136.3-179.1-46.7176.199.800110.7H593 R606 V608H593-E613 IonicContact CE1-OE1 2.75Å; H593-E613 PolarHBondContact CE1-OE1 3.29Å; H593-E613 IonicContact CG-OE1 3.55Å; H593-E613 IonicContact ND1-OE1 3.38Å; H593-E613 PolarHBondContact ND1-OE1 3.48Å; R606-E613 IonicContact CZ-OE1 3.87Å; R606-E613 IonicContact CZ-OE2 3.49Å; R606-E613 VanDerWaalsContact CZ-OE2 3.3Å; R606-E613 IonicContact NE-OE1 2.77Å; R606-E613 IonicContact NH1-OE2 2.69Å; R606-E613 PolarHBondContact NH1-OE2 3.49Å; R606-E613 IonicContact NH2-OE1 3.62Å; R606-E613 PolarHBondContact NH2-OE1 2.88Å; R606-E613 IonicContact NH2-OE2 2.79Å; R606-E613 PolarHBondContact NH2-OE2 2.89Å; V608-E613 HydrophobicContact CG1-CG 4.41Å; V608-E613 HydrophobicContact CG2-CG 4.43Å
614S85.8Confident87.8Confident39 Ų3960.9 Ų60.927%0.27331%0.31SS..  trans-63.5145.9174.8-174.40000111.7R606 L607 Q616R606-S614 WeakPolarHBondContact CD-O 3.26Å; R606-S614 PolarHBondContact NH1-O 3.29Å; L607-S614 WeakPolarHBondContact O-CB 3.5Å; L607-S614 PolarHBondContact O-N 3.2Å; S614-Q616 PolarHBondContact O-N 3.38Å; S614-Q616 PolarHBondContact OG-N 2.81Å; S614-Q616 VanDerWaalsContact OG-N 3.1Å
615E81.1Confident87.8Confident192 Ų19258.3 Ų58.390%0.89730%0.297SS*.SBendtrans-70-22.5167.3-61.3-170.715600111.5I617E615-I617 PolarHBondContact O-N 3.42Å; E615-I617 VanDerWaalsContact O-N 3.09Å
616Q83.2Confident87.8Confident112 Ų11258.8 Ų58.852%0.52330%0.3SS..  trans-75.9100.1-179.7-171.4179.16.500111.4R606 S614R606-Q616 VanDerWaalsContact CB-O 3.32Å; R606-Q616 WeakPolarHBondContact CB-O 3.46Å; S614-Q616 PolarHBondContact O-N 3.38Å; S614-Q616 PolarHBondContact OG-N 2.81Å; S614-Q616 VanDerWaalsContact OG-N 3.1Å
617I86.4Confident87.6Confident90 Ų9058.1 Ų58.146%0.46230%0.299SS..  trans-79.4138162.9-56.3174.4000108.7I595 E615I595-I617 HydrophobicContact CD1-CB 4.5Å; I595-I617 HydrophobicContact CD1-CD1 3.64Å; I595-I617 HydrophobicContact CD1-CG1 3.67Å; I595-I617 HydrophobicContact CD1-CG2 4.11Å; E615-I617 PolarHBondContact O-N 3.42Å; E615-I617 VanDerWaalsContact O-N 3.09Å
618G87.4Confident87.3Confident4 Ų462 Ų624%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-152.2-171.217200000112.1Q582 A605Q582-G618 CarbonylContact O-C 3.59Å; Q582-G618 VanDerWaalsContact O-CA 3.25Å; Q582-G618 WeakPolarHBondContact O-CA 3.48Å; A605-G618 PolarHBondContact N-O 2.98Å; A605-G618 PolarHBondContact O-N 3.5Å; A605-G618 VanDerWaalsContact O-O 3.08Å
619V90.5Very high87.1Confident21 Ų2166.4 Ų66.413%0.12733%0.332CS..EExtended strand (participates in β ladder)trans-107.9132.4-174.7-172.10000110.7P580 Q582 G583 L584 W602 W603P580-V619 HydrophobicContact CG-CB 4.26Å; P580-V619 HydrophobicContact CG-CG1 3.81Å; P580-V619 HydrophobicContact CG-CG2 4.36Å; Q582-V619 PolarHBondContact O-N 3.12Å; G583-V619 WeakPolarHBondContact CA-O 3.47Å; L584-V619 PolarHBondContact N-O 2.76Å; W602-V619 HydrophobicContact CB-CG1 3.68Å; W602-V619 HydrophobicContact CD2-CG1 4.14Å; W602-V619 HydrophobicContact CE3-CG1 3.79Å; W602-V619 HydrophobicContact CG-CG1 4.14Å; W603-V619 WeakPolarHBondContact O-CA 3.19Å
620I93.3Very high87Confident0 Ų066.6 Ų66.60%033%0.329CS..EExtended strand (participates in β ladder)trans-120.6153.5175.565.7173.9000110.3L584 F586 L592 V594 W602 W603 A605 S622 Y707L584-I620 HydrophobicContact CB-CG2 4.02Å; L584-I620 HydrophobicContact CD2-CG2 4.11Å; L584-I620 HydrophobicContact CG-CG2 4.36Å; F586-I620 HydrophobicContact CD1-CG2 3.84Å; F586-I620 HydrophobicContact CE1-CB 3.8Å; F586-I620 HydrophobicContact CE1-CG2 3.58Å; L592-I620 HydrophobicContact CD1-CD1 3.81Å; V594-I620 HydrophobicContact CG2-CD1 4.35Å; W602-I620 CarbonylContact C-O 3.5Å; W603-I620 HydrophobicContact CB-CD1 4.41Å; W603-I620 HydrophobicContact CB-CG1 3.86Å; W603-I620 HydrophobicContact CE3-CD1 4.5Å; W603-I620 PolarHBondContact N-O 3.1Å; W603-I620 PolarHBondContact O-N 3.49Å; A605-I620 HydrophobicContact CB-CD1 3.59Å; A605-I620 HydrophobicContact CB-CG1 3.96Å; A605-I620 HydrophobicContact CB-CG2 4.27Å; I620-S622 PolarHBondContact O-N 3.47Å; I620-Y707 HydrophobicContact CD1-CE1 4.27Å
621P93Very high87.4Confident5 Ų567.7 Ų67.73%0.03232%0.321CS..EExtended strand (participates in β ladder)trans-59.6137.5173.9-22.233.7000111.2Y571 W602 R625 V626 Y707Y571-P621 HydrophobicContact CD1-CG 4.29Å; Y571-P621 HydrophobicContact CD2-CG 3.68Å; Y571-P621 HydrophobicContact CE1-CG 4.05Å; Y571-P621 HydrophobicContact CE2-CG 3.41Å; Y571-P621 VanDerWaalsContact CE2-CG 3.41Å; Y571-P621 HydrophobicContact CG-CG 4.12Å; W602-P621 HydrophobicContact CZ3-CB 4.29Å; W602-P621 HydrophobicContact CZ3-CG 3.92Å; P621-R625 HydrophobicContact CB-CG 4.41Å; P621-V626 HydrophobicContact CB-CG2 3.79Å; P621-Y707 VanDerWaalsContact O-CE2 3.26Å; P621-Y707 WeakPolarHBondContact O-CE2 3.27Å; P621-Y707 PolarHBondContact O-OH 2.76Å
622S90.9Very high87.7Confident1 Ų161.4 Ų61.41%0.00730%0.302CS..  trans-63.7154.517277.70000111.2D600 E601 I620 K624 R625 V626D600-S622 PolarHBondContact O-OG 3Å; E601-S622 WeakPolarHBondContact CA-OG 3.37Å; E601-S622 PolarHBondContact O-N 3.22Å; I620-S622 PolarHBondContact O-N 3.47Å; S622-K624 PolarHBondContact O-N 3.44Å; S622-K624 PolarHBondContact OG-N 3.09Å; S622-R625 PolarHBondContact O-N 3.48Å; S622-R625 VanDerWaalsContact O-N 3.1Å; S622-R625 WeakPolarHBondContact OG-CB 3.22Å; S622-R625 PolarHBondContact OG-N 2.74Å; S622-V626 WeakPolarHBondContact O-CG2 3.29Å; S622-V626 PolarHBondContact O-N 2.96Å
623K91.1Very high87.6Confident53 Ų5366.8 Ų66.823%0.2331%0.313CS..Hα-helixtrans-48.5-45.7170.3176.9175.4172-177.80111.9W603 R625 V626 E627 Y707 L908W603-K623 HydrophobicContact CH2-CB 3.41Å; W603-K623 VanDerWaalsContact CH2-CB 3.41Å; W603-K623 HydrophobicContact CZ2-CB 3.86Å; W603-K623 HydrophobicContact CZ3-CB 4.1Å; K623-R625 PolarHBondContact O-N 2.65Å; K623-V626 PolarHBondContact O-N 3.35Å; K623-E627 WeakPolarHBondContact CE-OE1 3.44Å; K623-E627 WeakPolarHBondContact CG-OE1 3.15Å; K623-E627 WeakPolarHBondContact O-CB 3.25Å; K623-E627 WeakPolarHBondContact O-CG 3.36Å; K623-E627 PolarHBondContact O-N 3.1Å; K623-Y707 HydrophobicContact CB-CD2 4Å; K623-L908 HydrophobicContact CD-CB 3.72Å; K623-L908 HydrophobicContact CD-CD1 4.32Å; K623-L908 PolarHBondContact NZ-O 2.65Å
624K89.6Confident87Confident114 Ų11466.9 Ų66.950%0.49632%0.316SS..Hα-helixtrans-62.2-41.7179.6-163.3-177.9-160172.80112.5D600 S622 K628D600-K624 HydrophobicContact CB-CD 4.48Å; D600-K624 VanDerWaalsContact CG-CD 3.49Å; D600-K624 WeakPolarHBondContact OD1-CD 3.49Å; D600-K624 WeakPolarHBondContact OD1-CE 3.13Å; D600-K624 IonicContact OD1-NZ 3.96Å; D600-K624 PolarHBondContact OD1-NZ 2.88Å; D600-K624 IonicContact OD2-NZ 2.71Å; D600-K624 PolarHBondContact OD2-NZ 2.75Å; S622-K624 PolarHBondContact O-N 3.44Å; S622-K624 PolarHBondContact OG-N 3.09Å; K624-K628 WeakPolarHBondContact O-CB 3.42Å; K624-K628 PolarHBondContact O-N 3.08Å
625R90.2Very high86.2Confident36 Ų3672.8 Ų72.814%0.13634%0.337CS..Hα-helixtrans-64.6-46.7175.5176.6175.7174.582.8-0.1111.7D576 E601 P621 S622 K623 K628 K629D576-R625 VanDerWaalsContact CG-NH2 3.35Å; D576-R625 IonicContact OD1-NH2 2.71Å; D576-R625 PolarHBondContact OD1-NH2 3.43Å; D576-R625 IonicContact OD2-CZ 3.68Å; D576-R625 IonicContact OD2-NE 2.64Å; D576-R625 IonicContact OD2-NH2 2.9Å; D576-R625 PolarHBondContact OD2-NH2 2.88Å; E601-R625 WeakPolarHBondContact O-CD 3.39Å; E601-R625 VanDerWaalsContact OE2-CD 3.29Å; E601-R625 WeakPolarHBondContact OE2-CD 3.4Å; E601-R625 VanDerWaalsContact OE2-CG 3.29Å; E601-R625 WeakPolarHBondContact OE2-CG 3.2Å; E601-R625 IonicContact OE2-CZ 3.73Å; E601-R625 IonicContact OE2-NE 2.71Å; E601-R625 IonicContact OE2-NH1 3.3Å; E601-R625 PolarHBondContact OE2-NH1 2.73Å; P621-R625 HydrophobicContact CB-CG 4.41Å; S622-R625 PolarHBondContact O-N 3.48Å; S622-R625 VanDerWaalsContact O-N 3.1Å; S622-R625 WeakPolarHBondContact OG-CB 3.22Å; S622-R625 PolarHBondContact OG-N 2.74Å; K623-R625 PolarHBondContact O-N 2.65Å; R625-K628 PolarHBondContact O-N 2.94Å; R625-K629 VanDerWaalsContact O-CB 3.26Å; R625-K629 WeakPolarHBondContact O-CB 3.19Å; R625-K629 PolarHBondContact O-N 2.6Å
626V91Very high84.5Confident10 Ų1068.7 Ų68.76%0.06133%0.325CS..Hα-helixtrans-58.5-52.8177.1177.60000110.2F569 P621 S622 K623 K628 K629 E630 Y707F569-V626 HydrophobicContact CD1-CG1 4.31Å; F569-V626 HydrophobicContact CE1-CG1 4Å; F569-V626 HydrophobicContact CE1-CG2 3.92Å; F569-V626 HydrophobicContact CE2-CG1 4.48Å; F569-V626 HydrophobicContact CE2-CG2 4.11Å; F569-V626 HydrophobicContact CZ-CB 4.43Å; F569-V626 HydrophobicContact CZ-CG1 4.1Å; F569-V626 HydrophobicContact CZ-CG2 3.43Å; F569-V626 VanDerWaalsContact CZ-CG2 3.43Å; P621-V626 HydrophobicContact CB-CG2 3.79Å; S622-V626 WeakPolarHBondContact O-CG2 3.29Å; S622-V626 PolarHBondContact O-N 2.96Å; K623-V626 PolarHBondContact O-N 3.35Å; V626-K628 PolarHBondContact O-N 3.02Å; V626-K629 PolarHBondContact O-N 3.37Å; V626-E630 PolarHBondContact O-N 3.25Å; V626-Y707 HydrophobicContact CG2-CE2 4.27Å
627E90.6Very high82.3Confident40 Ų4068.5 Ų68.519%0.18733%0.331CS..Hα-helixtrans-68.2-31.9-177.4-69.4178.2-154.700113.4K623 R631 I704 S706K623-E627 WeakPolarHBondContact CE-OE1 3.44Å; K623-E627 WeakPolarHBondContact CG-OE1 3.15Å; K623-E627 WeakPolarHBondContact O-CB 3.25Å; K623-E627 WeakPolarHBondContact O-CG 3.36Å; K623-E627 PolarHBondContact O-N 3.1Å; E627-R631 WeakPolarHBondContact O-CB 3.4Å; E627-R631 PolarHBondContact O-N 2.86Å; E627-R631 PolarHBondContact O-NH1 2.95Å; E627-R631 IonicContact OE2-NH2 3.53Å; E627-I704 HydrophobicContact CB-CD1 4.26Å; E627-I704 HydrophobicContact CG-CB 4.21Å; E627-I704 HydrophobicContact CG-CG2 4Å; E627-I704 WeakPolarHBondContact O-CD1 3.17Å; E627-S706 PolarHBondContact OE1-OG 2.73Å
628K87.8Confident79.8Confident129 Ų12972.9 Ų72.956%0.56135%0.347SS*.Hα-helixtrans-66.5-43.8172.1177.5178.7168.2-169.60111.3E601 K624 R625 V626 A632E601-K628 IonicContact OE1-NZ 2.93Å; E601-K628 PolarHBondContact OE1-NZ 3.49Å; K624-K628 WeakPolarHBondContact O-CB 3.42Å; K624-K628 PolarHBondContact O-N 3.08Å; R625-K628 PolarHBondContact O-N 2.94Å; V626-K628 PolarHBondContact O-N 3.02Å; K628-A632 WeakPolarHBondContact O-CB 3.49Å; K628-A632 PolarHBondContact O-N 3.11Å
629K86.9Confident77.2Confident111 Ų11181.7 Ų81.748%0.48338%0.384SS..Hα-helixtrans-65.6-48.6178.9-170.1174.6-174.7176.40111.6D576 R625 V626 A632 R633D576-K629 IonicContact OD2-NZ 3.48Å; D576-K629 PolarHBondContact OD2-NZ 3.07Å; D576-K629 VanDerWaalsContact OD2-NZ 3.07Å; R625-K629 VanDerWaalsContact O-CB 3.26Å; R625-K629 WeakPolarHBondContact O-CB 3.19Å; R625-K629 PolarHBondContact O-N 2.6Å; V626-K629 PolarHBondContact O-N 3.37Å; K629-A632 PolarHBondContact O-N 3.18Å; K629-R633 PolarHBondContact O-N 3Å
630E85Confident74.2Confident59 Ų5988.8 Ų88.828%0.27642%0.415SS..Hα-helixtrans-69.5-39.4178.6-77.7-60.9103.500112.8V626 A632 R633 L634 I704V626-E630 PolarHBondContact O-N 3.25Å; E630-A632 VanDerWaalsContact C-N 3.26Å; E630-A632 PolarHBondContact O-N 2.81Å; E630-R633 VanDerWaalsContact CD-NE 3.28Å; E630-R633 WeakPolarHBondContact O-CB 3.24Å; E630-R633 PolarHBondContact O-N 3.03Å; E630-R633 VanDerWaalsContact O-N 3.13Å; E630-R633 WeakPolarHBondContact OE1-CD 3.3Å; E630-R633 IonicContact OE1-CZ 3.61Å; E630-R633 IonicContact OE1-NE 3.44Å; E630-R633 PolarHBondContact OE1-NE 3.36Å; E630-R633 IonicContact OE2-CZ 3.74Å; E630-R633 IonicContact OE2-NE 3.71Å; E630-R633 PolarHBondContact OE2-NE 2.81Å; E630-R633 IonicContact OE2-NH2 2.72Å; E630-R633 PolarHBondContact OE2-NH2 3.06Å; E630-L634 WeakPolarHBondContact O-CG 3.3Å; E630-L634 PolarHBondContact O-N 2.85Å; E630-I704 HydrophobicContact CB-CD1 4.19Å; E630-I704 HydrophobicContact CB-CG1 4.38Å; E630-I704 HydrophobicContact CB-CG2 3.72Å; E630-I704 HydrophobicContact CG-CG2 4.15Å
631R86.1Confident71.1Confident109 Ų10992.8 Ų92.841%0.41145%0.449SS..Hα-helixtrans-65-29.3174.3-165.5175.4-73.3107.7-15.6112.3E627 K635 I704E627-R631 WeakPolarHBondContact O-CB 3.4Å; E627-R631 PolarHBondContact O-N 2.86Å; E627-R631 PolarHBondContact O-NH1 2.95Å; E627-R631 IonicContact OE2-NH2 3.53Å; R631-K635 WeakPolarHBondContact O-CB 3.43Å; R631-K635 WeakPolarHBondContact O-CG 3.38Å; R631-K635 PolarHBondContact O-N 3.06Å; R631-I704 HydrophobicContact CB-CD1 3.85Å
632A82.5Confident68.1Low57 Ų57104.3 Ų104.347%0.47149%0.492SS..Hα-helixtrans-72-42.2169.900000112.1K628 K629 E630 L634 K635 T636K628-A632 WeakPolarHBondContact O-CB 3.49Å; K628-A632 PolarHBondContact O-N 3.11Å; K629-A632 PolarHBondContact O-N 3.18Å; E630-A632 VanDerWaalsContact C-N 3.26Å; E630-A632 PolarHBondContact O-N 2.81Å; A632-L634 PolarHBondContact O-N 3.24Å; A632-K635 PolarHBondContact O-N 2.92Å; A632-T636 PolarHBondContact O-N 3.23Å; A632-T636 PolarHBondContact O-OG1 3.06Å
633R80.7Confident65.1Low143 Ų143110.9 Ų110.954%0.5453%0.532SS..Hα-helixtrans-58.6-46.3174.4-168.4-175.465.3741.1111.7K629 E630 K635 T636K629-R633 PolarHBondContact O-N 3Å; E630-R633 VanDerWaalsContact CD-NE 3.28Å; E630-R633 WeakPolarHBondContact O-CB 3.24Å; E630-R633 PolarHBondContact O-N 3.03Å; E630-R633 VanDerWaalsContact O-N 3.13Å; E630-R633 WeakPolarHBondContact OE1-CD 3.3Å; E630-R633 IonicContact OE1-CZ 3.61Å; E630-R633 IonicContact OE1-NE 3.44Å; E630-R633 PolarHBondContact OE1-NE 3.36Å; E630-R633 IonicContact OE2-CZ 3.74Å; E630-R633 IonicContact OE2-NE 3.71Å; E630-R633 PolarHBondContact OE2-NE 2.81Å; E630-R633 IonicContact OE2-NH2 2.72Å; E630-R633 PolarHBondContact OE2-NH2 3.06Å; R633-K635 VanDerWaalsContact C-N 3.33Å; R633-K635 PolarHBondContact O-N 3.48Å; R633-T636 VanDerWaalsContact O-CB 3.29Å; R633-T636 WeakPolarHBondContact O-CB 3.49Å; R633-T636 PolarHBondContact O-N 2.69Å; R633-T636 PolarHBondContact O-OG1 3.03Å
634L74Confident62.1Low80 Ų80111.4 Ų111.442%0.41955%0.553SS.*Hα-helixtrans-67.6-29.1177.7-68173.2000113.4E630 A632 T636 D702 I704E630-L634 WeakPolarHBondContact O-CG 3.3Å; E630-L634 PolarHBondContact O-N 2.85Å; A632-L634 PolarHBondContact O-N 3.24Å; L634-T636 VanDerWaalsContact C-N 3.27Å; L634-T636 PolarHBondContact O-N 3.37Å; L634-D702 HydrophobicContact CD1-CB 4Å; L634-I704 HydrophobicContact CD1-CG1 4.49Å
635K68.2Low59.2Low163 Ų163114.2 Ų114.271%0.70957%0.57SS**THydrogen-bonded Turntrans-76.5-5.7173.1-78.6177.1177-1710114.4R631 A632 R633R631-K635 WeakPolarHBondContact O-CB 3.43Å; R631-K635 WeakPolarHBondContact O-CG 3.38Å; R631-K635 PolarHBondContact O-N 3.06Å; A632-K635 PolarHBondContact O-N 2.92Å; R633-K635 VanDerWaalsContact C-N 3.33Å; R633-K635 PolarHBondContact O-N 3.48Å
636T45.5Very low56.3Low105 Ų105120.6 Ų120.664%0.64461%0.605SS**SBendtrans-68.5137.2-179.6-58.10000110.5A632 R633 L634 K638A632-T636 PolarHBondContact O-N 3.23Å; A632-T636 PolarHBondContact O-OG1 3.06Å; R633-T636 VanDerWaalsContact O-CB 3.29Å; R633-T636 WeakPolarHBondContact O-CB 3.49Å; R633-T636 PolarHBondContact O-N 2.69Å; R633-T636 PolarHBondContact O-OG1 3.03Å; L634-T636 VanDerWaalsContact C-N 3.27Å; L634-T636 PolarHBondContact O-N 3.37Å; T636-K638 PolarHBondContact O-N 3.19Å
637V36.5Very low53.2Low109 Ų109128.4 Ų128.466%0.66164%0.64SS**  trans-63.7122.6-151.8-176.90000114.6F639V637-F639 PolarHBondContact O-N 3.43Å
638K35.1Very low50.3Low181 Ų181132 Ų13279%0.78767%0.67SS**  trans-70.593.8163.3-76.1-179.3179.2170.80110.5T636 H640T636-K638 PolarHBondContact O-N 3.19Å; K638-H640 PolarHBondContact O-N 3.08Å; K638-H640 PolarHBondContact O-ND1 3.32Å
639F32Very low47.4Very low189 Ų189132.3 Ų132.383%0.82968%0.678SS**  trans-57.8109.1169.6-83.5-90.7000110.9V637 A641V637-F639 PolarHBondContact O-N 3.43Å; F639-A641 VanDerWaalsContact C-N 3.32Å; F639-A641 PolarHBondContact O-N 2.87Å
640H28.6Very low44.6Very low170 Ų170138.9 Ų138.979%0.78770%0.7SS**  trans-77.584.3171.9-77.168.8000109.5K638 R642K638-H640 PolarHBondContact O-N 3.08Å; K638-H640 PolarHBondContact O-ND1 3.32Å; H640-R642 PolarHBondContact O-N 3.45Å
641A27.5Very low41.8Very low85 Ų85143.3 Ų143.370%0.70272%0.72SS**  trans-62.892.7174.400000110.7F639 T643F639-A641 VanDerWaalsContact C-N 3.32Å; F639-A641 PolarHBondContact O-N 2.87Å; A641-T643 VanDerWaalsContact C-N 3.27Å; A641-T643 PolarHBondContact O-N 3.35Å
642R29.5Very low39.1Very low246 Ų246145 Ų14593%0.92874%0.742SS**  trans-70.883.9168.7-75.1-173.5173.6-176.4-0.6109.1H640 G644H640-R642 PolarHBondContact O-N 3.45Å; R642-G644 VanDerWaalsContact C-N 3.32Å; R642-G644 PolarHBondContact O-N 2.88Å
643T28.2Very low36.4Very low139 Ų139150.6 Ų150.685%0.85376%0.756SS**  trans-66.187.4175.5-54.10000110.9A641A641-T643 VanDerWaalsContact C-N 3.27Å; A641-T643 PolarHBondContact O-N 3.35Å
644G28.5Very low33.9Very low65 Ų65150.8 Ų150.867%0.6777%0.773SS**  trans-81.6115.8175.600000112.5R642R642-G644 VanDerWaalsContact C-N 3.32Å; R642-G644 PolarHBondContact O-N 2.88Å
645M28.5Very low31.7Very low173 Ų173156.4 Ų156.485%0.85279%0.794SS**  trans48.998.6151.1-59.5179.767.800119
646I29.2Very low29.8Very low170 Ų170160.7 Ų160.787%0.87281%0.806SS**  trans-131.8107.4130.5-55.6-179000108
647E27.1Very low29Very low173 Ų173165.3 Ų165.381%0.80882%0.817SS**  trans-81.3138.4165.9-71-165.5128.900110.2
648S28.1Very low28.8Very low116 Ų116168.7 Ų168.781%0.81182%0.822SS**  trans-141126.4156.358.20000110.1
649N27.5Very low28.4Very low135 Ų135165.7 Ų165.772%0.72282%0.824SS**  trans-83.4125.7-165.9-115.2-58.8000112.3
650R28.5Very low28.1Very low249 Ų249164.2 Ų164.294%0.9482%0.818SS**  trans-151.1103.2153.7-117.8175.3-175.7-178.31.2112
651Q26.6Very low28Very low152 Ų152162.8 Ų162.871%0.7182%0.816SS**  trans-86.2126.2173.4-63.6-175.88.700111.4
652V28.5Very low28Very low144 Ų144165.3 Ų165.387%0.87382%0.817SS**  trans-134.2136147.7-177.60000107.8
653K26Very low27.9Very low176 Ų176159.4 Ų159.477%0.76581%0.813SS**  trans-97.2129.1-169.8-63.1168.5-178.3169.70111.5
654V28.4Very low28Very low146 Ų146163.2 Ų163.289%0.88581%0.812SS**  trans-122.8140.5152.4-176.80000108.5
655K27.6Very low28.2Very low198 Ų198169.6 Ų169.686%0.86182%0.821SS**  trans-81.2125.5-162.1-64.3172.1-179.5173.50112K657K655-K657 PolarHBondContact O-N 3.33Å; K655-K657 VanDerWaalsContact O-N 3.16Å
656R28.8Very low28.1Very low254 Ų254169.7 Ų169.796%0.95882%0.817SS**  trans-58.3114.2157.5-100.1-179.4156.9134.2-6.1108.7
657K29.1Very low28.2Very low202 Ų202166.2 Ų166.288%0.87881%0.806SS**  trans-95.5112.8167.6-138.1180-175.4-174.60107.7K655K655-K657 PolarHBondContact O-N 3.33Å; K655-K657 VanDerWaalsContact O-N 3.16Å
658K32.7Very low28.1Very low179 Ų179168.4 Ų168.478%0.77881%0.813SS**  trans-80.2132.3163.9-79-171.9177.1-176.90108.2F660K658-F660 HydrophobicContact CD-CE2 4.31Å
659S25.9Very low28Very low118 Ų118173 Ų17383%0.82581%0.814SS**  trans-137.2130.3158.646.40000106.8
660F24.8Very low28Very low159 Ų159175.5 Ų175.570%0.69782%0.818SS**  trans-93.2141.2-170.5-82.4-96.6000112K658K658-F660 HydrophobicContact CD-CE2 4.31Å
661N27.1Very low27.9Very low140 Ų140169.4 Ų169.475%0.74981%0.814SS**  trans64.4168.6155.3-52.2-17.1000115.1
662L27Very low27.9Very low138 Ų138170.3 Ų170.372%0.72382%0.816SS**  cis-147.11321.7-151.1154.1000109.2R664L662-R664 HydrophobicContact CD2-CG 4.13Å
663S28.4Very low27.9Very low121 Ų121172.9 Ų172.985%0.84682%0.818SS**  trans-149.2142.8160.4-174.90000110.2
664R29.7Very low27.9Very low220 Ų220170.3 Ų170.383%0.8381%0.813SS**  trans-94.6109.7-166.8-58.5178-170173.94.6110.1L662L662-R664 HydrophobicContact CD2-CG 4.13Å
665K32Very low27.8Very low198 Ų198171.2 Ų171.286%0.86181%0.811SS**PPolyproline II helixtrans-71.4134.8151.8-67.4-177176.5-175.70107.4P667K665-P667 WeakPolarHBondContact O-CD 3.23Å
666F26.7Very low27.7Very low175 Ų175167.2 Ų167.277%0.76880%0.803SS**PPolyproline II helixtrans-79.8119.5162.2-83.6-90.7000109.1
667P31Very low27.5Very low98 Ų98162 Ų16264%0.63679%0.789SS**PPolyproline II helixtrans-85.1140.2155.67.512.7000108.5K665 Y669K665-P667 WeakPolarHBondContact O-CD 3.23Å; P667-Y669 PolarHBondContact O-N 3.47Å
668F24.9Very low27.3Very low218 Ų218159.7 Ų159.796%0.95678%0.781SS**  trans-58.6112.6162.6-91.7-104.9000108.4
669Y26.8Very low27Very low214 Ų214157.5 Ų157.584%0.83978%0.778SS**  trans-86.8143.7174.9-141.8-86.9000110.7P667P667-Y669 PolarHBondContact O-N 3.47Å
670K26.7Very low27Very low186 Ų186158.2 Ų158.281%0.80978%0.777SS**  trans-68.8130.4-176.4-59.3168-177.8174.80110K672K670-K672 PolarHBondContact O-N 2.85Å
671S27Very low26.9Very low122 Ų122158.6 Ų158.685%0.85378%0.781SS**  trans-75.7108.5159.254.50000109.3
672K27.5Very low26.7Very low170 Ų170158.7 Ų158.774%0.73979%0.787SS**  trans-156.4101.2156.1-136.4-174.4-175.1-168.60112.4K670 N674K670-K672 PolarHBondContact O-N 2.85Å; K672-N674 VanDerWaalsContact CE-OD1 3.28Å; K672-N674 WeakPolarHBondContact CE-OD1 3.48Å
673E26.8Very low26.6Very low199 Ų199159.5 Ų159.593%0.9379%0.787SS**  trans-111.1143149.8-68-176.116000106.8
674N26.4Very low26.3Very low121 Ų121160.9 Ų160.965%0.64778%0.78SS**  trans-119.6149.3-173.7-96.714.7000108.9K672K672-N674 VanDerWaalsContact CE-OD1 3.28Å; K672-N674 WeakPolarHBondContact CE-OD1 3.48Å
675I27.6Very low25.9Very low166 Ų166155.4 Ų155.485%0.85177%0.774SS**  trans168134.4151.5-94.3154.4000105.6
676V24.3Very low25.5Very low113 Ų113153.6 Ų153.669%0.68577%0.773SS**  cis-136.9168.828.9-1420000112.7
677H25.1Very low25.3Very low146 Ų146151 Ų15168%0.67677%0.772SS**  trans63.5110.8164.6-68.4-70.1000117.5
678E24.9Very low25Very low152 Ų152150.6 Ų150.671%0.7177%0.771SS**  90.9138.762.1-87.6-168.915800112.2
679L25.8Very low24.9Very low134 Ų134147.6 Ų147.670%0.70277%0.765SS**  cis-135.9-172.7-3-91.8153.2000107.5
680V25.7Very low24.8Very low133 Ų133144 Ų14481%0.80677%0.765SS**  cis-138.715110.8-176.50000108.3
681E23.6Very low24.9Very low166 Ų166139.6 Ų139.678%0.77676%0.758SS**  trans-89.8163.3178.9-57.3165.1125.500113.4
682T23.5Very low24.8Very low143 Ų143141.4 Ų141.488%0.87776%0.758SS**  trans-162.8133.1131.4-710000109.1
683E23.7Very low24.7Very low155 Ų155138.6 Ų138.672%0.72476%0.76SS**  trans-81.8-170.9178.3-48.4-177.57800111.4
684Q23.1Very low24.7Very low149 Ų149138.3 Ų138.370%0.69676%0.759SS**  cis-159.7126.67.5-136.9158.454.500105
685C20.9Very low24.7Very low106 Ų106138 Ų13872%0.71677%0.766SS**  79.3135.390.4-150.30000117.1
686L22.7Very low25Very low160 Ų160135.6 Ų135.684%0.83876%0.764SS**  trans72.7147173.2-44.8-179000116.2
687T24.3Very low25.2Very low120 Ų120135.5 Ų135.574%0.73677%0.768SS**  cis-137.4141.710.2520000115
688S23.4Very low25.5Very low89 Ų89138.4 Ų138.462%0.62278%0.779SS**  trans54.6124.3140.667.70000124.2
689N23.5Very low25.7Very low156 Ų156134.3 Ų134.383%0.83478%0.777SS**  trans71.9143.3144.3-52.8-15.9000118.1
690T25.3Very low26.2Very low138 Ų138135.9 Ų135.985%0.84778%0.781SS**  cis-124.6165.63.947.40000113.2
691S27.3Very low27.1Very low93 Ų93137.9 Ų137.965%0.6578%0.782SS**  trans-74134.3177.3172.90000113.3
692D24.8Very low28.7Very low160 Ų160135.3 Ų135.386%0.85677%0.773SS**  -149.7121.2110.9-101-16.4000110.8
693S25.8Very low30.9Very low111 Ų111132.6 Ų132.678%0.77676%0.756SS**  trans-98.7103.5-175.3-65.90000111.1S695S693-S695 PolarHBondContact O-N 2.98Å; S693-S695 VanDerWaalsContact O-N 3.07Å
694E28.2Very low33.8Very low194 Ų194126.4 Ų126.491%0.90773%0.728SS**  trans-59.9111.3163.3-70.9-151.8123.700109.9S696E694-S696 PolarHBondContact O-N 2.89Å
695S24.7Very low37.1Very low115 Ų115121.7 Ų121.780%0.80471%0.708SS**  trans-70.6103.6173.560.50000109.1S693 S697S693-S695 PolarHBondContact O-N 2.98Å; S693-S695 VanDerWaalsContact O-N 3.07Å; S695-S697 PolarHBondContact O-N 3.36Å
696S34.8Very low40.6Very low114 Ų114117 Ų11780%0.79768%0.676SS**  trans-52.290.9-168.1640000115.3E694 K698E694-S696 PolarHBondContact O-N 2.89Å; S696-K698 PolarHBondContact O-N 3.14Å
697S27.8Very low44Very low111 Ų111109.8 Ų109.878%0.77664%0.638SS**  trans-8298.2152.153.90000107.8S695 G699S695-S697 PolarHBondContact O-N 3.36Å; S697-G699 PolarHBondContact O-N 3.22Å
698K31.4Very low47.3Very low207 Ų207106 Ų10690%0.961%0.611SS**  trans-58.8109.6160.7-78.1-168.9174.5-1710106.4S696 Q700S696-K698 PolarHBondContact O-N 3.14Å; K698-Q700 PolarHBondContact O-N 3.27Å
699G30.3Very low50.6Low66 Ų66102.9 Ų102.968%0.6859%0.589SS**PPolyproline II helixtrans-57.5133.9-175.600000110.4S697 E701S697-G699 PolarHBondContact O-N 3.22Å; G699-E701 PolarHBondContact O-N 3.42Å
700Q35.1Very low54Low168 Ų16895.7 Ų95.779%0.78555%0.551SS**PPolyproline II helixtrans-60.2126.6143-68.7170.4-97.700105.4K698 D702K698-Q700 PolarHBondContact O-N 3.27Å; Q700-D702 PolarHBondContact O-N 3.01Å
701E45Very low57.3Low174 Ų17492.8 Ų92.881%0.81353%0.53SS*.PPolyproline II helixtrans-57.7131.8155.7-63.9-174.2111.200106.5G699 T703G699-E701 PolarHBondContact O-N 3.42Å; E701-T703 PolarHBondContact O-N 3.27Å; E701-T703 PolarHBondContact O-OG1 2.75Å
702D56.5Low60.4Low113 Ų11395.3 Ų95.360%0.60453%0.525SS*.  trans-50.1111.7179.4-73.5-53.2000108.4L634 Q700 I704L634-D702 HydrophobicContact CD1-CB 4Å; Q700-D702 PolarHBondContact O-N 3.01Å; D702-I704 VanDerWaalsContact C-N 3.29Å; D702-I704 PolarHBondContact O-N 3.45Å
703T69.8Low63.7Low85 Ų8590.6 Ų90.652%0.52150%0.498SS..  trans-7984.6-169.2-52.30000108.2E701 L705E701-T703 PolarHBondContact O-N 3.27Å; E701-T703 PolarHBondContact O-OG1 2.75Å; T703-L705 PolarHBondContact O-N 3.34Å
704I86.3Confident67Low26 Ų2690 Ų9013%0.13348%0.482CS..  trans-69.4116.4-177.4-61.4169.5000108.6E627 E630 R631 L634 D702 S706E627-I704 HydrophobicContact CB-CD1 4.26Å; E627-I704 HydrophobicContact CG-CB 4.21Å; E627-I704 HydrophobicContact CG-CG2 4Å; E627-I704 WeakPolarHBondContact O-CD1 3.17Å; E630-I704 HydrophobicContact CB-CD1 4.19Å; E630-I704 HydrophobicContact CB-CG1 4.38Å; E630-I704 HydrophobicContact CB-CG2 3.72Å; E630-I704 HydrophobicContact CG-CG2 4.15Å; R631-I704 HydrophobicContact CB-CD1 3.85Å; L634-I704 HydrophobicContact CD1-CG1 4.49Å; D702-I704 VanDerWaalsContact C-N 3.29Å; D702-I704 PolarHBondContact O-N 3.45Å; I704-S706 PolarHBondContact O-N 3.06Å; I704-S706 VanDerWaalsContact O-N 3.17Å
705L91.6Very high70.2Confident50 Ų5081.4 Ų81.426%0.26244%0.443SS..  trans-64.9113170.8-58.6-179.3000109.2L568 T703 E870L568-L705 HydrophobicContact CB-CB 3.86Å; L568-L705 HydrophobicContact CB-CD2 4.44Å; L568-L705 HydrophobicContact CD1-CD2 4.3Å; L568-L705 WeakPolarHBondContact O-CB 3.34Å; T703-L705 PolarHBondContact O-N 3.34Å; L705-E870 HydrophobicContact CD2-CB 3.99Å
706S93.4Very high73.5Confident7 Ų783.7 Ų83.75%0.04944%0.44CS..  trans-127-93.7178.362.10000110L568 F569 E627 I704L568-S706 PolarHBondContact N-O 2.54Å; F569-S706 WeakPolarHBondContact CD1-O 3.42Å; F569-S706 VanDerWaalsContact CE1-O 3.28Å; F569-S706 WeakPolarHBondContact CE1-O 3.48Å; E627-S706 PolarHBondContact OE1-OG 2.73Å; I704-S706 PolarHBondContact O-N 3.06Å; I704-S706 VanDerWaalsContact O-N 3.17Å
707Y94.4Very high76.5Confident9 Ų980 Ų804%0.03541%0.409CS..EExtended strand (participates in β ladder)trans-135.7136.2178.6-60.1-74.9000110.3V565 R566 F569 F586 L592 W603 I620 P621 K623 V626 L908V565-Y707 HydrophobicContact CB-CD1 4.43Å; V565-Y707 HydrophobicContact CG2-CD1 3.73Å; V565-Y707 HydrophobicContact CG2-CE1 4.41Å; V565-Y707 HydrophobicContact CG2-CG 4.22Å; R566-Y707 WeakPolarHBondContact O-CA 3.46Å; F569-Y707 HydrophobicContact CE1-CD1 4.32Å; F569-Y707 AromaticContact CE1-CE1 3.88Å; F569-Y707 HydrophobicContact CE1-CE1 3.88Å; F569-Y707 HydrophobicContact CE1-CE2 4.17Å; F569-Y707 AromaticContact CE1-CZ 3.82Å; F569-Y707 HydrophobicContact CZ-CE1 4.19Å; F569-Y707 HydrophobicContact CZ-CE2 4.36Å; F569-Y707 AromaticContact CZ-CZ 3.83Å; F586-Y707 HydrophobicContact CE2-CE1 4.16Å; F586-Y707 AromaticContact CZ-CE1 3.86Å; F586-Y707 HydrophobicContact CZ-CE1 3.86Å; F586-Y707 WeakPolarHBondContact CZ-OH 3.21Å; L592-Y707 HydrophobicContact CD1-CE1 4.04Å; W603-Y707 HydrophobicContact CE3-CD2 4.49Å; W603-Y707 HydrophobicContact CE3-CE2 4.32Å; W603-Y707 AromaticContact CZ3-CD2 3.85Å; W603-Y707 HydrophobicContact CZ3-CD2 3.85Å; W603-Y707 HydrophobicContact CZ3-CE2 4.1Å; W603-Y707 HydrophobicContact CZ3-CG 4.44Å; I620-Y707 HydrophobicContact CD1-CE1 4.27Å; P621-Y707 VanDerWaalsContact O-CE2 3.26Å; P621-Y707 WeakPolarHBondContact O-CE2 3.27Å; P621-Y707 PolarHBondContact O-OH 2.76Å; K623-Y707 HydrophobicContact CB-CD2 4Å; V626-Y707 HydrophobicContact CG2-CE2 4.27Å; Y707-L908 WeakPolarHBondContact O-CD1 3.43Å
708E93.5Very high79.8Confident39 Ų3976.3 Ų76.318%0.18238%0.382CS..EExtended strand (participates in β ladder)trans-100.4126.5168.3-171-177.1-128.600109.1V565 R566 L568 P903V565-E708 CarbonylContact C-O 3.58Å; V565-E708 WeakPolarHBondContact CA-O 3.44Å; V565-E708 WeakPolarHBondContact CB-O 3.44Å; R566-E708 IonicContact CZ-OE2 3.48Å; R566-E708 PolarHBondContact N-O 2.81Å; R566-E708 IonicContact NH1-OE2 2.8Å; R566-E708 PolarHBondContact NH1-OE2 3.39Å; R566-E708 IonicContact NH2-OE2 3.32Å; R566-E708 PolarHBondContact NH2-OE2 3.23Å; R566-E708 PolarHBondContact O-N 2.85Å; L568-E708 HydrophobicContact CD1-CB 4.26Å; E708-P903 HydrophobicContact CG-CB 4.45Å; E708-P903 WeakPolarHBondContact OE1-CB 3.39Å; E708-P903 WeakPolarHBondContact OE1-CG 3.39Å
709P93.9Very high82.9Confident25 Ų2567 Ų6716%0.16234%0.341CS..EExtended strand (participates in β ladder)trans-68.1138.2172.128-30.3000110S904 E906 L908P709-S904 WeakPolarHBondContact O-CB 3.21Å; P709-S904 PolarHBondContact O-N 3.17Å; P709-E906 WeakPolarHBondContact CG-O 3.2Å; P709-L908 HydrophobicContact CB-CD1 4.31Å; P709-L908 HydrophobicContact CB-CD2 4.24Å; P709-L908 HydrophobicContact CB-CG 3.87Å; P709-L908 HydrophobicContact CG-CD1 4.38Å; P709-L908 HydrophobicContact CG-CG 3.98Å
710V94.4Very high86.2Confident5 Ų563.9 Ų63.93%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-132.6155.1-175.7-66.40000112.9Y564 R566 I591 W901 I902Y564-V710 PolarHBondContact O-N 3.07Å; R566-V710 HydrophobicContact CB-CG1 4.06Å; I591-V710 HydrophobicContact CD1-CG2 4.28Å; I591-V710 HydrophobicContact CG2-CG2 4.44Å; V710-W901 HydrophobicContact CB-CB 4.37Å; V710-W901 HydrophobicContact CB-CE3 4.26Å; V710-W901 HydrophobicContact CG2-CB 4.45Å; V710-W901 HydrophobicContact CG2-CD2 4.41Å; V710-W901 HydrophobicContact CG2-CE3 3.72Å; V710-W901 HydrophobicContact CG2-CZ3 4.37Å; V710-I902 CarbonylContact C-O 3.45Å; V710-I902 WeakPolarHBondContact CA-O 3.15Å; V710-I902 VanDerWaalsContact CB-O 3.31Å; V710-I902 WeakPolarHBondContact CB-O 3.27Å
711I93.5Very high89.2Confident77 Ų7755.9 Ų55.940%0.39527%0.271SS..EExtended strand (participates in β ladder)trans-124.8148.3169.659.7177.4000110.2W901 I902I711-W901 WeakPolarHBondContact O-CA 3.48Å; I711-I902 HydrophobicContact CD1-CD1 4.15Å; I711-I902 HydrophobicContact CD1-CG1 4.33Å; I711-I902 HydrophobicContact CG1-CD1 4.04Å; I711-I902 HydrophobicContact CG1-CG1 3.65Å; I711-I902 PolarHBondContact N-O 2.9Å; I711-I902 PolarHBondContact O-N 3.41Å
712R92.7Very high91.7Very high145 Ų14547.6 Ų47.655%0.54723%0.233SC..EExtended strand (participates in β ladder)trans-82.1125.6175.6-175.7173.6170162.4-0.6109.6Y899 I900 W901R712-Y899 HydrophobicContact CG-CD1 4.42Å; R712-I900 CarbonylContact C-O 3.6Å; R712-I900 WeakPolarHBondContact CA-O 3.47Å; R712-W901 HydrophobicContact CB-CD2 4.33Å; R712-W901 HydrophobicContact CB-CE3 3.97Å; R712-W901 HydrophobicContact CB-CH2 3.91Å; R712-W901 HydrophobicContact CB-CZ2 4.25Å; R712-W901 HydrophobicContact CB-CZ3 3.76Å
713Q93.9Very high93.7Very high62 Ų6242.3 Ų42.329%0.2920%0.204SC..EExtended strand (participates in β ladder)trans-122.5143.3177.6-172.6-179.133.700109.8Y899 I900 I902Q713-Y899 WeakPolarHBondContact O-CA 3.21Å; Q713-I900 HydrophobicContact CB-CG1 4.22Å; Q713-I900 PolarHBondContact N-O 3.38Å; Q713-I900 PolarHBondContact O-N 3.01Å; Q713-I902 HydrophobicContact CB-CD1 4.3Å; Q713-I902 HydrophobicContact CB-CG1 4.2Å
714E95.3Very high95.1Very high98 Ų9838.6 Ų38.646%0.45818%0.181SC..EExtended strand (participates in β ladder)trans-90.2139.5169.1-165.8172.6154.200110.4H716 P898 Y899E714-H716 IonicContact OE1-CE1 2.7Å; E714-H716 PolarHBondContact OE1-CE1 3.25Å; E714-P898 CarbonylContact C-O 3.57Å; E714-P898 WeakPolarHBondContact CA-O 3.48Å; E714-Y899 HydrophobicContact CB-CD1 3.96Å; E714-Y899 HydrophobicContact CB-CE1 3.75Å; E714-Y899 HydrophobicContact CG-CD1 4.11Å; E714-Y899 HydrophobicContact CG-CE1 3.7Å; E714-Y899 VanDerWaalsContact OE2-CE1 3.23Å; E714-Y899 WeakPolarHBondContact OE2-CE1 3.41Å; E714-Y899 PolarHBondContact OE2-OH 2.92Å
715I95.5Very high95.5Very high14 Ų1438.2 Ų38.27%0.07218%0.184CC..  trans-128.6151.4179.356.5164.7000111.9Y717 R719 P898 I900I715-Y717 HydrophobicContact CB-CD1 4.26Å; I715-Y717 HydrophobicContact CB-CE1 3.93Å; I715-Y717 HydrophobicContact CD1-CD2 4.49Å; I715-Y717 HydrophobicContact CD1-CE2 4.11Å; I715-Y717 HydrophobicContact CG2-CE1 3.89Å; I715-R719 HydrophobicContact CD1-CG 3.61Å; I715-P898 WeakPolarHBondContact CG1-O 3.35Å; I715-P898 PolarHBondContact N-O 3.26Å; I715-I900 HydrophobicContact CD1-CD1 4.27Å; I715-I900 HydrophobicContact CD1-CG1 4.49Å; I715-I900 HydrophobicContact CD1-CG2 3.66Å; I715-I900 HydrophobicContact CG1-CG1 4.48Å; I715-I900 HydrophobicContact CG1-CG2 4.13Å; I715-I900 HydrophobicContact CG2-CD1 3.63Å; I715-I900 HydrophobicContact CG2-CG1 3.98Å
716H95.4Very high95.7Very high162 Ų16236.3 Ų36.375%0.7517%0.174SC*.SBendtrans-120.537.4-178.4-52.6-38.9000111.9E714E714-H716 IonicContact OE1-CE1 2.7Å; E714-H716 PolarHBondContact OE1-CE1 3.25Å
717Y95.9Very high95.6Very high37 Ų3738.1 Ų38.115%0.14518%0.182CC..SBendtrans-148.4153.6175.761.7-96.8000110.1I715 A804 Q826 L827 Y828I715-Y717 HydrophobicContact CB-CD1 4.26Å; I715-Y717 HydrophobicContact CB-CE1 3.93Å; I715-Y717 HydrophobicContact CD1-CD2 4.49Å; I715-Y717 HydrophobicContact CD1-CE2 4.11Å; I715-Y717 HydrophobicContact CG2-CE1 3.89Å; Y717-A804 HydrophobicContact CD2-CB 4.27Å; Y717-Q826 PolarHBondContact OH-O 2.88Å; Y717-L827 HydrophobicContact CD1-CD2 4.39Å; Y717-L827 HydrophobicContact CD2-CD2 4.07Å; Y717-L827 HydrophobicContact CE1-CD2 4.26Å; Y717-L827 HydrophobicContact CE2-CD2 3.95Å; Y717-L827 HydrophobicContact CG-CD2 4.31Å; Y717-L827 WeakPolarHBondContact OH-CA 3.3Å; Y717-Y828 PolarHBondContact OH-N 3.18Å
718T97.6Very high95.6Very high33 Ų3339.4 Ų39.420%0.20219%0.188CC..PPolyproline II helixtrans-79.4124.9175.3-55.70000110.2A804 G807 H809T718-A804 PolarHBondContact N-O 3.09Å; T718-A804 WeakPolarHBondContact O-CA 3.39Å; T718-A804 WeakPolarHBondContact O-CB 3.39Å; T718-G807 VanDerWaalsContact OG1-CA 3.26Å; T718-G807 WeakPolarHBondContact OG1-CA 3.4Å; T718-G807 PolarHBondContact OG1-O 2.8Å; T718-H809 HydrophobicContact CG2-CB 4.34Å; T718-H809 VanDerWaalsContact CG2-CE1 3.45Å; T718-H809 WeakPolarHBondContact CG2-CE1 3.27Å; T718-H809 WeakPolarHBondContact CG2-NE2 3.33Å
719R97.7Very high95.7Very high13 Ų1341.6 Ų41.65%0.04920%0.201CC..PPolyproline II helixtrans-61.4133.7-172-63.3171.575-178.6-5.2112.3I715 H809 Y828 P829 I830 Q895 I900I715-R719 HydrophobicContact CD1-CG 3.61Å; R719-H809 PolarHBondContact O-ND1 3.41Å; R719-Y828 PolarHBondContact NE-O 2.98Å; R719-Y828 VanDerWaalsContact NE-O 3.09Å; R719-P829 PolarHBondContact NH2-O 2.75Å; R719-I830 HydrophobicContact CB-CD1 4.07Å; R719-I830 HydrophobicContact CB-CG1 3.88Å; R719-Q895 WeakPolarHBondContact CD-O 3.11Å; R719-Q895 PolarHBondContact NH1-O 3.44Å; R719-I900 HydrophobicContact CG-CG2 4.5Å
720P98.2Very high95.7Very high0 Ų047.3 Ų47.30%022%0.22CC..PPolyproline II helixtrans-59.6153.4166.8-2133.4000111.4V800 C810 L812 P829 I830P720-V800 HydrophobicContact CB-CG1 3.87Å; P720-V800 HydrophobicContact CG-CG1 3.49Å; P720-V800 VanDerWaalsContact CG-CG1 3.49Å; P720-C810 CarbonylContact C-O 3.43Å; P720-C810 WeakPolarHBondContact CA-O 3.12Å; P720-C810 HydrophobicContact CB-CB 4.21Å; P720-L812 HydrophobicContact CB-CD1 3.92Å; P720-P829 HydrophobicContact CB-CB 4.43Å; P720-P829 CarbonylContact O-C 3.55Å; P720-P829 WeakPolarHBondContact O-CA 3.16Å; P720-I830 PolarHBondContact O-N 3.14Å
721V98.6Very high95.8Very high0 Ų047.1 Ų47.10%022%0.218CC..EExtended strand (participates in β ladder)trans-121.5129.4178.7-177.90000109.1I723 H809 C810 I811 L812 I830 I892V721-I723 HydrophobicContact CG1-CD1 4.25Å; V721-I723 HydrophobicContact CG1-CG1 3.9Å; V721-H809 HydrophobicContact CG2-CB 3.97Å; V721-C810 PolarHBondContact N-O 3.37Å; V721-I811 HydrophobicContact CB-CD1 3.87Å; V721-I811 HydrophobicContact CG1-CD1 4.24Å; V721-I811 HydrophobicContact CG2-CD1 4.37Å; V721-L812 PolarHBondContact O-N 3.48Å; V721-I830 WeakPolarHBondContact CA-O 3.23Å; V721-I830 HydrophobicContact CG2-CB 4.32Å; V721-I830 HydrophobicContact CG2-CD1 4.26Å; V721-I892 HydrophobicContact CG1-CD1 3.95Å; V721-I892 HydrophobicContact CG1-CG1 4.24Å; V721-I892 HydrophobicContact CG2-CD1 4.38Å; V721-I892 HydrophobicContact CG2-CG1 4.36Å; V721-I892 HydrophobicContact CG2-CG2 4.4Å
722I98.4Very high96Very high0 Ų043.9 Ų43.90%020%0.202CC..EExtended strand (participates in β ladder)trans-121.5119.6175.2-66.4168.1000107.6L724 L812 V814 A818 I819 L822 P829 I830 A831 I832I722-L724 HydrophobicContact CG2-CD1 4.19Å; I722-L724 HydrophobicContact CG2-CD2 4.21Å; I722-L724 HydrophobicContact CG2-CG 3.9Å; I722-L812 HydrophobicContact CD1-CD1 4.26Å; I722-L812 HydrophobicContact CG1-CB 3.9Å; I722-L812 HydrophobicContact CG1-CD1 3.97Å; I722-V814 HydrophobicContact CD1-CG2 4.03Å; I722-V814 HydrophobicContact CG1-CG2 4.01Å; I722-V814 HydrophobicContact CG2-CG2 4.26Å; I722-A818 HydrophobicContact CD1-CB 4.41Å; I722-I819 HydrophobicContact CD1-CG1 3.85Å; I722-L822 HydrophobicContact CD1-CD1 3.65Å; I722-P829 HydrophobicContact CD1-CB 4.17Å; I722-P829 HydrophobicContact CD1-CG 4.33Å; I722-I830 PolarHBondContact N-O 3.47Å; I722-A831 WeakPolarHBondContact O-CA 3.25Å; I722-I832 PolarHBondContact O-N 2.97Å
723I98.5Very high96.1Very high2 Ų242 Ų421%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-110.4122.5178.5-53.8-175.2000108.5V721 K728 V731 L735 I832 I834 I888V721-I723 HydrophobicContact CG1-CD1 4.25Å; V721-I723 HydrophobicContact CG1-CG1 3.9Å; I723-K728 HydrophobicContact CB-CB 4.32Å; I723-K728 HydrophobicContact CG2-CB 3.9Å; I723-K728 WeakPolarHBondContact O-CB 3.31Å; I723-K728 WeakPolarHBondContact O-CD 3.24Å; I723-V731 HydrophobicContact CD1-CB 4.48Å; I723-V731 HydrophobicContact CD1-CG1 3.52Å; I723-L735 HydrophobicContact CD1-CD1 3.87Å; I723-I832 WeakPolarHBondContact CA-O 3.35Å; I723-I834 HydrophobicContact CG2-CD1 3.7Å; I723-I834 HydrophobicContact CG2-CG1 4.15Å; I723-I888 HydrophobicContact CD1-CG2 3.85Å; I723-I888 HydrophobicContact CG2-CD1 4.35Å
724L98Very high96.3Very high6 Ų641.4 Ų41.43%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-119.5155.2-176.1-66.8170.6000110.8I722 I819 I832 F833 I834 F872I722-L724 HydrophobicContact CG2-CD1 4.19Å; I722-L724 HydrophobicContact CG2-CD2 4.21Å; I722-L724 HydrophobicContact CG2-CG 3.9Å; L724-I819 HydrophobicContact CD1-CD1 4.06Å; L724-I832 PolarHBondContact N-O 2.95Å; L724-F833 HydrophobicContact CB-CD2 4.21Å; L724-I834 PolarHBondContact O-N 3.03Å; L724-F872 HydrophobicContact CD1-CE1 3.83Å
725G96.1Very high96.4Very high18 Ų1836.7 Ų36.719%0.18618%0.18CC..SBendtrans98.4-164.3-179.400000113.7
726P94.4Very high96.4Very high10 Ų1038.2 Ų38.27%0.06519%0.187CC..THydrogen-bonded Turntrans-67.3150.3-176.4-17.732.9000112.4K728 I834 P836 L842 I857 A861P726-K728 PolarHBondContact O-N 3.04Å; P726-I834 WeakPolarHBondContact CD-O 3.24Å; P726-I834 VanDerWaalsContact O-CD1 3.25Å; P726-I834 WeakPolarHBondContact O-CD1 3.45Å; P726-P836 HydrophobicContact CG-CB 4.33Å; P726-P836 HydrophobicContact CG-CG 4.2Å; P726-L842 HydrophobicContact CB-CD2 3.48Å; P726-L842 VanDerWaalsContact CB-CD2 3.48Å; P726-L842 HydrophobicContact CG-CD2 3.66Å; P726-I857 HydrophobicContact CB-CG2 3.89Å; P726-I857 HydrophobicContact CG-CG2 3.75Å; P726-A861 HydrophobicContact CG-CB 4.46Å
727M91.7Very high96.4Very high45 Ų4534.7 Ų34.722%0.22218%0.181CC..THydrogen-bonded Turntrans60.34.8176.8-53.8-75.383.800116.8D729 R730 V731 L881M727-D729 PolarHBondContact O-N 2.83Å; M727-R730 PolarHBondContact O-N 3.15Å; M727-V731 PolarHBondContact O-N 3.37Å; M727-L881 HydrophobicContact CB-CD1 3.73Å; M727-L881 HydrophobicContact CG-CD1 4.23Å
728K95Very high96.5Very high37 Ų3737.5 Ų37.516%0.16120%0.195CC..Hα-helixtrans-48.8-37.7178.470.2169.7-178.766.60113.8I723 P726 R730 V731 N732 D813I723-K728 HydrophobicContact CB-CB 4.32Å; I723-K728 HydrophobicContact CG2-CB 3.9Å; I723-K728 WeakPolarHBondContact O-CB 3.31Å; I723-K728 WeakPolarHBondContact O-CD 3.24Å; P726-K728 PolarHBondContact O-N 3.04Å; K728-R730 PolarHBondContact O-N 3.4Å; K728-V731 PolarHBondContact O-N 2.9Å; K728-N732 WeakPolarHBondContact O-CB 3.25Å; K728-N732 PolarHBondContact O-N 3.35Å; K728-N732 PolarHBondContact O-OD1 3.46Å; K728-D813 IonicContact NZ-OD1 3.75Å; K728-D813 PolarHBondContact NZ-OD1 3.42Å; K728-D813 IonicContact NZ-OD2 3.65Å
729D94.4Very high96.4Very high85 Ų8538.2 Ų38.246%0.45520%0.196SC..Hα-helixtrans-63.8-47.5-172.8-44.6-56.5000110.3M727 N732 D733M727-D729 PolarHBondContact O-N 2.83Å; D729-N732 WeakPolarHBondContact O-CB 3.27Å; D729-N732 PolarHBondContact O-N 3.35Å; D729-D733 PolarHBondContact O-N 2.72Å
730R94.8Very high96.3Very high145 Ų14541.2 Ų41.255%0.54722%0.217SC..Hα-helixtrans-68.4-37.6177.4177.4166.3169.4-164.4-1.3112M727 K728 N732 D733 D734 L881M727-R730 PolarHBondContact O-N 3.15Å; K728-R730 PolarHBondContact O-N 3.4Å; R730-N732 VanDerWaalsContact C-N 3.32Å; R730-N732 PolarHBondContact O-N 2.86Å; R730-D733 PolarHBondContact O-N 3.39Å; R730-D734 VanDerWaalsContact CG-OD2 3.25Å; R730-D734 WeakPolarHBondContact CG-OD2 3.44Å; R730-D734 IonicContact NE-OD2 3.37Å; R730-D734 PolarHBondContact NE-OD2 2.79Å; R730-D734 VanDerWaalsContact O-CB 3.24Å; R730-D734 WeakPolarHBondContact O-CB 3.38Å; R730-D734 PolarHBondContact O-N 3.1Å; R730-L881 HydrophobicContact CG-CD2 4.1Å
731V96.9Very high96.2Very high0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-62-41.6174.2173.60000111I723 M727 K728 L735 I834 L881 Y885 I888I723-V731 HydrophobicContact CD1-CB 4.48Å; I723-V731 HydrophobicContact CD1-CG1 3.52Å; M727-V731 PolarHBondContact O-N 3.37Å; K728-V731 PolarHBondContact O-N 2.9Å; V731-L735 HydrophobicContact CG1-CD1 4.16Å; V731-L735 HydrophobicContact CG1-CG 4.37Å; V731-L735 WeakPolarHBondContact O-CB 3.22Å; V731-L735 VanDerWaalsContact O-CG 3.25Å; V731-L735 WeakPolarHBondContact O-CG 3.45Å; V731-L735 PolarHBondContact O-N 2.69Å; V731-I834 HydrophobicContact CG2-CD1 4.33Å; V731-L881 HydrophobicContact CG2-CD1 3.97Å; V731-Y885 HydrophobicContact CG1-CD2 4.06Å; V731-Y885 HydrophobicContact CG1-CE2 4.47Å; V731-Y885 HydrophobicContact CG2-CD2 4.46Å; V731-I888 HydrophobicContact CG1-CD1 3.86Å; V731-I888 HydrophobicContact CG1-CG2 4.05Å; V731-I888 HydrophobicContact CG2-CD1 4.35Å
732N96.8Very high96.1Very high9 Ų951 Ų515%0.04826%0.261CS..Hα-helixtrans-62.1-48175.9-70.2-14.4000111.5K728 D729 R730 L735 I736 I811K728-N732 WeakPolarHBondContact O-CB 3.25Å; K728-N732 PolarHBondContact O-N 3.35Å; K728-N732 PolarHBondContact O-OD1 3.46Å; D729-N732 WeakPolarHBondContact O-CB 3.27Å; D729-N732 PolarHBondContact O-N 3.35Å; R730-N732 VanDerWaalsContact C-N 3.32Å; R730-N732 PolarHBondContact O-N 2.86Å; N732-L735 PolarHBondContact O-N 3.22Å; N732-I736 WeakPolarHBondContact O-CD1 3.44Å; N732-I736 VanDerWaalsContact O-CG1 3.25Å; N732-I736 WeakPolarHBondContact O-CG1 3.43Å; N732-I736 PolarHBondContact O-N 3.12Å; N732-I736 VanDerWaalsContact O-N 3.1Å; N732-I811 HydrophobicContact CB-CG2 3.77Å
733D96Very high96.1Very high106 Ų10651.4 Ų51.457%0.56726%0.263SS*.Hα-helixtrans-62.5-45.7178.1-70.1-24.3000112.1D729 R730 I736 S737D729-D733 PolarHBondContact O-N 2.72Å; R730-D733 PolarHBondContact O-N 3.39Å; D733-I736 PolarHBondContact O-N 3.29Å; D733-S737 WeakPolarHBondContact O-CB 3.42Å; D733-S737 PolarHBondContact O-N 2.89Å; D733-S737 PolarHBondContact O-OG 2.75Å
734D97Very high95.9Very high49 Ų4952 Ų5226%0.26227%0.269SS..Hα-helixtrans-64.1-43.9179.5-70.6-20.9000110.1R730 I736 S737 E738 Y885R730-D734 VanDerWaalsContact CG-OD2 3.25Å; R730-D734 WeakPolarHBondContact CG-OD2 3.44Å; R730-D734 IonicContact NE-OD2 3.37Å; R730-D734 PolarHBondContact NE-OD2 2.79Å; R730-D734 VanDerWaalsContact O-CB 3.24Å; R730-D734 WeakPolarHBondContact O-CB 3.38Å; R730-D734 PolarHBondContact O-N 3.1Å; D734-I736 PolarHBondContact O-N 3.33Å; D734-S737 PolarHBondContact O-N 2.96Å; D734-S737 PolarHBondContact O-OG 3.38Å; D734-E738 VanDerWaalsContact O-CB 3.27Å; D734-E738 WeakPolarHBondContact O-CB 3.49Å; D734-E738 PolarHBondContact O-N 3.28Å; D734-Y885 VanDerWaalsContact C-OH 3.3Å; D734-Y885 HydrophobicContact CB-CD2 4.37Å; D734-Y885 HydrophobicContact CB-CE2 3.67Å; D734-Y885 PolarHBondContact O-OH 2.8Å
735L97.4Very high95.8Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-60.4-47.5175.7-75.8177000112.9I723 V731 N732 S737 F739 F743 I811 Y885 I888 K889 I892I723-L735 HydrophobicContact CD1-CD1 3.87Å; V731-L735 HydrophobicContact CG1-CD1 4.16Å; V731-L735 HydrophobicContact CG1-CG 4.37Å; V731-L735 WeakPolarHBondContact O-CB 3.22Å; V731-L735 VanDerWaalsContact O-CG 3.25Å; V731-L735 WeakPolarHBondContact O-CG 3.45Å; V731-L735 PolarHBondContact O-N 2.69Å; N732-L735 PolarHBondContact O-N 3.22Å; L735-S737 VanDerWaalsContact C-N 3.34Å; L735-F739 PolarHBondContact O-N 2.98Å; L735-F739 VanDerWaalsContact O-N 3.1Å; L735-F743 HydrophobicContact CB-CD2 4.07Å; L735-F743 HydrophobicContact CB-CE2 4.24Å; L735-F743 HydrophobicContact CB-CG 4.33Å; L735-F743 HydrophobicContact CD1-CE1 4.46Å; L735-F743 HydrophobicContact CD1-CZ 4.49Å; L735-F743 HydrophobicContact CD2-CE2 3.84Å; L735-F743 HydrophobicContact CD2-CZ 3.94Å; L735-F743 VanDerWaalsContact O-CD2 3.27Å; L735-F743 WeakPolarHBondContact O-CD2 3.46Å; L735-I811 HydrophobicContact CD1-CD1 4.08Å; L735-Y885 HydrophobicContact CD2-CE2 3.8Å; L735-Y885 HydrophobicContact CG-CE2 3.86Å; L735-Y885 PolarHBondContact N-OH 3.06Å; L735-I888 HydrophobicContact CD1-CG2 4.32Å; L735-K889 HydrophobicContact CD2-CD 4.35Å; L735-K889 HydrophobicContact CD2-CG 3.78Å; L735-I892 HydrophobicContact CD1-CD1 3.81Å
736I95.3Very high95.7Very high46 Ų4655.5 Ų55.524%0.23629%0.291CS..Hα-helixtrans-67.3-36.8-177.5-66.4164000111N732 D733 D734 P740 F743 S745 I811N732-I736 WeakPolarHBondContact O-CD1 3.44Å; N732-I736 VanDerWaalsContact O-CG1 3.25Å; N732-I736 WeakPolarHBondContact O-CG1 3.43Å; N732-I736 PolarHBondContact O-N 3.12Å; N732-I736 VanDerWaalsContact O-N 3.1Å; D733-I736 PolarHBondContact O-N 3.29Å; D734-I736 PolarHBondContact O-N 3.33Å; I736-P740 WeakPolarHBondContact O-CA 3.43Å; I736-P740 WeakPolarHBondContact O-CB 3.29Å; I736-F743 HydrophobicContact CG1-CB 4.32Å; I736-S745 WeakPolarHBondContact CD1-OG 3.49Å; I736-I811 HydrophobicContact CD1-CB 4.03Å; I736-I811 HydrophobicContact CD1-CG1 4.14Å; I736-I811 HydrophobicContact CD1-CG2 4.11Å; I736-I811 HydrophobicContact CG1-CB 4.29Å; I736-I811 HydrophobicContact CG1-CG1 3.84Å
737S96.4Very high95.8Very high88 Ų8856.6 Ų56.662%0.61530%0.298SS*.Hα-helixtrans-82.5-32.6-17860.80000114D733 D734 L735D733-S737 WeakPolarHBondContact O-CB 3.42Å; D733-S737 PolarHBondContact O-N 2.89Å; D733-S737 PolarHBondContact O-OG 2.75Å; D734-S737 PolarHBondContact O-N 2.96Å; D734-S737 PolarHBondContact O-OG 3.38Å; L735-S737 VanDerWaalsContact C-N 3.34Å
738E96.8Very high95.9Very high95 Ų9556.1 Ų56.144%0.44430%0.298SS..Hα-helixtrans-75-42.2175.4-165.2-174.9169.900111.5D734 P740 Y885 K889D734-E738 VanDerWaalsContact O-CB 3.27Å; D734-E738 WeakPolarHBondContact O-CB 3.49Å; D734-E738 PolarHBondContact O-N 3.28Å; E738-P740 VanDerWaalsContact C-CD 3.47Å; E738-P740 WeakPolarHBondContact O-CD 3.42Å; E738-Y885 WeakPolarHBondContact OE2-CE1 3.26Å; E738-Y885 VanDerWaalsContact OE2-CZ 3.24Å; E738-Y885 PolarHBondContact OE2-OH 3.37Å; E738-K889 IonicContact OE1-NZ 3.21Å; E738-K889 PolarHBondContact OE1-NZ 3.38Å; E738-K889 IonicContact OE2-NZ 3.91Å; E738-K889 PolarHBondContact OE2-NZ 3.05Å
739F96.5Very high96Very high49 Ų4956.1 Ų56.122%0.21530%0.298CS..  trans-127.963.9-178.8-41.9-90.2000113.8L735 H741 K742 F743 K889L735-F739 PolarHBondContact O-N 2.98Å; L735-F739 VanDerWaalsContact O-N 3.1Å; F739-H741 PolarHBondContact O-N 2.84Å; F739-K742 HydrophobicContact CB-CB 4.07Å; F739-K742 HydrophobicContact CB-CG 4.33Å; F739-K742 PolarHBondContact O-N 3.39Å; F739-F743 HydrophobicContact CB-CD2 3.87Å; F739-F743 HydrophobicContact CB-CE2 4.1Å; F739-F743 HydrophobicContact CD2-CD2 4.34Å; F739-F743 AromaticContact CD2-CE2 3.99Å; F739-F743 HydrophobicContact CD2-CE2 3.99Å; F739-F743 HydrophobicContact CG-CE2 4.4Å; F739-F743 PolarHBondContact O-N 3.43Å; F739-K889 HydrophobicContact CE2-CD 3.65Å; F739-K889 HydrophobicContact CZ-CD 4.16Å
740P95.8Very high96.2Very high76 Ų7652 Ų5249%0.49428%0.277SS..THydrogen-bonded Turntrans-64.1-5.3179.127.1-36.4000114.2I736 E738 K808I736-P740 WeakPolarHBondContact O-CA 3.43Å; I736-P740 WeakPolarHBondContact O-CB 3.29Å; E738-P740 VanDerWaalsContact C-CD 3.47Å; E738-P740 WeakPolarHBondContact O-CD 3.42Å; P740-K808 PolarHBondContact O-NZ 3Å
741H95.4Very high96.3Very high126 Ų12646.1 Ų46.158%0.58326%0.257SS*.THydrogen-bonded Turntrans-89.4-32.1170.265.6-87.1000113.1F739 K808F739-H741 PolarHBondContact O-N 2.84Å; H741-K808 VanDerWaalsContact O-CE 3.31Å; H741-K808 WeakPolarHBondContact O-CE 3.17Å
742K96.7Very high96.3Very high79 Ų7947.2 Ų47.234%0.34326%0.261SS..THydrogen-bonded Turntrans-86.5-37.8175.4-66.7-169.7177.8-175.30112.5F739 K808 H809 E893F739-K742 HydrophobicContact CB-CB 4.07Å; F739-K742 HydrophobicContact CB-CG 4.33Å; F739-K742 PolarHBondContact O-N 3.39Å; K742-K808 CarbonylContact O-C 3.59Å; K742-K808 WeakPolarHBondContact O-CA 3.38Å; K742-H809 PolarHBondContact O-N 3.31Å; K742-E893 IonicContact NZ-OE1 3.8Å; K742-E893 PolarHBondContact NZ-OE1 2.87Å
743F97.9Very high96.2Very high9 Ų951.6 Ų51.64%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-109.5160.2-174.2-61-72.4000113.1L735 I736 F739 H809 I811 I892L735-F743 HydrophobicContact CB-CD2 4.07Å; L735-F743 HydrophobicContact CB-CE2 4.24Å; L735-F743 HydrophobicContact CB-CG 4.33Å; L735-F743 HydrophobicContact CD1-CE1 4.46Å; L735-F743 HydrophobicContact CD1-CZ 4.49Å; L735-F743 HydrophobicContact CD2-CE2 3.84Å; L735-F743 HydrophobicContact CD2-CZ 3.94Å; L735-F743 VanDerWaalsContact O-CD2 3.27Å; L735-F743 WeakPolarHBondContact O-CD2 3.46Å; I736-F743 HydrophobicContact CG1-CB 4.32Å; F739-F743 HydrophobicContact CB-CD2 3.87Å; F739-F743 HydrophobicContact CB-CE2 4.1Å; F739-F743 HydrophobicContact CD2-CD2 4.34Å; F739-F743 AromaticContact CD2-CE2 3.99Å; F739-F743 HydrophobicContact CD2-CE2 3.99Å; F739-F743 HydrophobicContact CG-CE2 4.4Å; F739-F743 PolarHBondContact O-N 3.43Å; F743-H809 WeakPolarHBondContact CA-O 3.38Å; F743-H809 HydrophobicContact CD1-CB 3.43Å; F743-H809 VanDerWaalsContact CD1-CB 3.43Å; F743-H809 HydrophobicContact CE1-CB 3.63Å; F743-H809 AromaticContact CE1-CG 3.96Å; F743-H809 HydrophobicContact CG-CB 4.5Å; F743-I811 HydrophobicContact CB-CG1 4.12Å; F743-I811 HydrophobicContact CD1-CD1 3.44Å; F743-I811 VanDerWaalsContact CD1-CD1 3.44Å; F743-I811 HydrophobicContact CD1-CG1 3.95Å; F743-I811 HydrophobicContact CE1-CD1 4Å; F743-I811 HydrophobicContact CG-CD1 4.23Å; F743-I811 HydrophobicContact CG-CG1 4.34Å; F743-I892 HydrophobicContact CE1-CD1 4.13Å; F743-I892 HydrophobicContact CE1-CG2 4.03Å; F743-I892 HydrophobicContact CZ-CD1 4.2Å; F743-I892 HydrophobicContact CZ-CG2 4.07Å
744G94.8Very high96.2Very high14 Ų1453.2 Ų53.214%0.14429%0.288CS..EExtended strand (participates in β ladder)trans-171.2158.7167.100000112.7H809 C810 I811G744-H809 PolarHBondContact N-O 2.87Å; G744-H809 VanDerWaalsContact N-O 3.09Å; G744-C810 CarbonylContact O-C 3.59Å; G744-C810 WeakPolarHBondContact O-CA 3.32Å; G744-I811 PolarHBondContact O-N 3.31Å
745S95.6Very high96.1Very high81 Ų8157.3 Ų57.357%0.56630%0.3SS*.EExtended strand (participates in β ladder)trans-88.3146.9172.2-50.50000110.7I736I736-S745 WeakPolarHBondContact CD1-OG 3.49Å
746C94.8Very high95.9Very high16 Ų1666.9 Ų66.911%0.10835%0.345CS..PPolyproline II helixtrans-86.7150.5167.9620000111.7P748 T795 S799 V803 C810 L812C746-P748 WeakPolarHBondContact O-CD 3.43Å; C746-T795 WeakPolarHBondContact SG-CG2 3.12Å; C746-S799 VanDerWaalsContact CB-O 3.28Å; C746-S799 WeakPolarHBondContact CB-O 3.44Å; C746-V803 HydrophobicContact CB-CG2 3.88Å; C746-C810 VanDerWaalsContact CB-SG 3.55Å; C746-L812 VanDerWaalsContact SG-CD2 3.55Å
747V94.9Very high95.9Very high34 Ų3470.7 Ų70.721%0.20637%0.366CS..PPolyproline II helixtrans-78.5119.5179.2-176.20000110.5S799V747-S799 VanDerWaalsContact O-CB 3.29Å; V747-S799 WeakPolarHBondContact O-CB 3.46Å; V747-S799 PolarHBondContact O-OG 3.26Å
748P95.6Very high95.8Very high35 Ų3567 Ų6723%0.22734%0.339CS..PPolyproline II helixtrans-74.416817731.7-35.1000111.7C746 Y764 H765C746-P748 WeakPolarHBondContact O-CD 3.43Å; P748-Y764 HydrophobicContact CB-CD1 4.22Å; P748-Y764 HydrophobicContact CB-CE1 4.3Å; P748-Y764 HydrophobicContact CG-CD1 3.66Å; P748-Y764 HydrophobicContact CG-CE1 3.65Å; P748-Y764 HydrophobicContact CG-CG 4.44Å; P748-Y764 CarbonylContact O-C 3.24Å; P748-Y764 VanDerWaalsContact O-CA 3.26Å; P748-Y764 WeakPolarHBondContact O-CA 3.29Å; P748-H765 PolarHBondContact O-N 3.27Å
749H97.1Very high95.7Very high36 Ų3666.9 Ų66.917%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-105.4151.2174.1-64.437.3000110.3H765 V767 M773 F782 Y793 G794 S796 S799H749-H765 CarbonylContact C-O 3.58Å; H749-H765 WeakPolarHBondContact CA-O 3.17Å; H749-H765 HydrophobicContact CB-CB 4.43Å; H749-H765 AromaticContact CE1-CD2 3.36Å; H749-H765 PolarHBondContact CE1-CD2 3.09Å; H749-H765 AromaticContact CE1-CG 3.8Å; H749-H765 AromaticContact ND1-CD2 3.59Å; H749-V767 HydrophobicContact CB-CG2 4.09Å; H749-M773 HydrophobicContact CB-CE 3.97Å; H749-M773 HydrophobicContact CB-SD 4.42Å; H749-F782 HydrophobicContact CB-CE1 3.92Å; H749-F782 HydrophobicContact CB-CZ 4Å; H749-F782 AromaticContact CD2-CZ 3.85Å; H749-F782 AromaticContact CG-CE1 3.98Å; H749-F782 AromaticContact CG-CZ 3.92Å; H749-Y793 WeakPolarHBondContact O-CA 3.46Å; H749-G794 PolarHBondContact N-O 3.27Å; H749-G794 PolarHBondContact O-N 3.19Å; H749-S796 PolarHBondContact CE1-OG 3.28Å; H749-S799 PolarHBondContact CE1-OG 3.27Å; H749-S799 VanDerWaalsContact CE1-OG 3.31Å
750T97.4Very high95.6Very high0 Ų069 Ų690%035%0.354CS..EExtended strand (participates in β ladder)trans-147.7150.6167.8-172.20000113R752 Y764 H765 F766 V767 L792 Y793T750-R752 VanDerWaalsContact C-N 3.31Å; T750-R752 HydrophobicContact CG2-CB 4.02Å; T750-R752 WeakPolarHBondContact OG1-CB 3.37Å; T750-R752 PolarHBondContact OG1-N 3.01Å; T750-R752 VanDerWaalsContact OG1-N 3.1Å; T750-Y764 HydrophobicContact CG2-CD1 3.67Å; T750-Y764 HydrophobicContact CG2-CD2 4.42Å; T750-Y764 HydrophobicContact CG2-CE1 4.45Å; T750-Y764 HydrophobicContact CG2-CG 3.69Å; T750-H765 PolarHBondContact N-O 2.87Å; T750-F766 HydrophobicContact CG2-CD1 3.65Å; T750-F766 HydrophobicContact CG2-CE1 3.77Å; T750-V767 PolarHBondContact O-N 3.22Å; T750-L792 WeakPolarHBondContact CA-O 3.15Å; T750-L792 WeakPolarHBondContact CB-O 3.17Å; T750-L792 PolarHBondContact OG1-O 2.89Å; T750-Y793 HydrophobicContact CG2-CE1 4.34Å; T750-Y793 WeakPolarHBondContact OG1-CD1 3.41Å; T750-Y793 WeakPolarHBondContact OG1-CE1 3.46Å
751T97.3Very high95.4Very high21 Ų2167.1 Ų67.113%0.12935%0.348CS..SBendtrans-84.1-6.2168.166.10000113.1R770 M773 N791 L792T751-R770 HydrophobicContact CG2-CB 4.01Å; T751-R770 HydrophobicContact CG2-CG 4.23Å; T751-M773 HydrophobicContact CG2-CB 4.04Å; T751-M773 HydrophobicContact CG2-CG 4.44Å; T751-M773 HydrophobicContact CG2-SD 3.73Å; T751-N791 PolarHBondContact O-OD1 2.61Å; T751-N791 WeakPolarHBondContact OG1-CA 3.49Å; T751-N791 PolarHBondContact OG1-OD1 2.7Å; T751-L792 HydrophobicContact CG2-CB 3.92Å; T751-L792 HydrophobicContact CG2-CD1 4.36Å; T751-L792 HydrophobicContact CG2-CG 4.3Å; T751-L792 PolarHBondContact N-O 3.13Å; T751-L792 VanDerWaalsContact N-O 3.09Å; T751-L792 PolarHBondContact OG1-N 3.15Å
752R96.5Very high95.1Very high22 Ų2267.1 Ų67.18%0.08335%0.348CS..SBendtrans-66.6134.6178.8-178.8-173.151.485-12.2109.9T750 R754 E758 F766 N791 Y793T750-R752 VanDerWaalsContact C-N 3.31Å; T750-R752 HydrophobicContact CG2-CB 4.02Å; T750-R752 WeakPolarHBondContact OG1-CB 3.37Å; T750-R752 PolarHBondContact OG1-N 3.01Å; T750-R752 VanDerWaalsContact OG1-N 3.1Å; R752-R754 PolarHBondContact O-N 3.48Å; R752-E758 IonicContact CZ-OE1 3.97Å; R752-E758 IonicContact CZ-OE2 2.71Å; R752-E758 IonicContact NH1-OE1 2.71Å; R752-E758 PolarHBondContact NH1-OE1 3.28Å; R752-E758 IonicContact NH1-OE2 2.7Å; R752-E758 PolarHBondContact NH1-OE2 3.29Å; R752-E758 VanDerWaalsContact NH2-CD 3.29Å; R752-E758 IonicContact NH2-OE1 2.68Å; R752-E758 PolarHBondContact NH2-OE1 3.31Å; R752-E758 IonicContact NH2-OE2 2.77Å; R752-E758 PolarHBondContact NH2-OE2 3.42Å; R752-E758 VanDerWaalsContact NH2-OE2 3.1Å; R752-F766 WeakPolarHBondContact O-CD1 3.38Å; R752-N791 WeakPolarHBondContact CA-OD1 3.32Å; R752-N791 HydrophobicContact CB-CB 3.92Å; R752-N791 PolarHBondContact N-OD1 3.15Å; R752-Y793 VanDerWaalsContact CD-OH 3.29Å; R752-Y793 WeakPolarHBondContact CD-OH 3.4Å; R752-Y793 PolarHBondContact NE-OH 2.95Å
753P95.1Very high94.9Very high102 Ų10266.4 Ų66.466%0.66235%0.348SS*.PPolyproline II helixtrans-54.2137.9170.5-27.535.7000113.2
754R96.3Very high94.8Very high139 Ų13969 Ų6953%0.52536%0.358SS..PPolyproline II helixtrans-59.8134.3174.7-174175.676.881.3-0.2110.9R752 E758 F766R752-R754 PolarHBondContact O-N 3.48Å; R754-E758 VanDerWaalsContact CD-O 3.23Å; R754-E758 WeakPolarHBondContact CD-O 3.4Å; R754-E758 HydrophobicContact CG-CB 4Å; R754-E758 WeakPolarHBondContact CG-O 3.37Å; R754-E758 PolarHBondContact NH1-O 2.96Å; R754-F766 HydrophobicContact CB-CD1 3.97Å; R754-F766 HydrophobicContact CB-CD2 3.81Å; R754-F766 HydrophobicContact CB-CE1 3.98Å; R754-F766 HydrophobicContact CB-CE2 3.85Å; R754-F766 HydrophobicContact CB-CG 3.87Å; R754-F766 HydrophobicContact CB-CZ 3.92Å; R754-F766 HydrophobicContact CG-CD2 3.84Å; R754-F766 HydrophobicContact CG-CE1 4.36Å; R754-F766 HydrophobicContact CG-CE2 3.5Å; R754-F766 VanDerWaalsContact CG-CE2 3.5Å; R754-F766 HydrophobicContact CG-CG 4.41Å; R754-F766 HydrophobicContact CG-CZ 3.77Å
755R95.2Very high94.9Very high136 Ų13671.6 Ų71.651%0.51337%0.366SS..PPolyproline II helixtrans-83.6162.6171.4-60.8171.2-176.1126.3-9.1110.9N757 E758R755-N757 PolarHBondContact O-N 3.01Å; R755-N757 VanDerWaalsContact O-N 3.15Å; R755-E758 HydrophobicContact CB-CB 4.48Å; R755-E758 HydrophobicContact CB-CG 3.97Å; R755-E758 WeakPolarHBondContact CB-OE2 3.26Å; R755-E758 WeakPolarHBondContact CD-OE1 3.32Å; R755-E758 WeakPolarHBondContact CG-OE2 3.29Å; R755-E758 IonicContact CZ-OE1 3.73Å; R755-E758 PolarHBondContact N-OE2 2.84Å; R755-E758 IonicContact NE-OE1 2.7Å; R755-E758 IonicContact NH1-OE1 3.47Å; R755-E758 PolarHBondContact NH1-OE1 3.15Å; R755-E758 PolarHBondContact O-N 3.3Å; R755-E758 VanDerWaalsContact O-N 3.08Å
756E92.9Very high95Very high200 Ų20069.7 Ų69.794%0.93535%0.348SS*.THydrogen-bonded Turntrans-55.2-33.9179.5-62.1177.4173.400113.2
757N94.4Very high95Very high127 Ų12770.5 Ų70.568%0.67935%0.352SS*.THydrogen-bonded Turntrans-92.65.3-178.374.9-80.7000114.9R755R755-N757 PolarHBondContact O-N 3.01Å; R755-N757 VanDerWaalsContact O-N 3.15Å
758E95.4Very high94.8Very high10 Ų1073.2 Ų73.25%0.04739%0.387CS..  trans-112.7143.7-175.6-65.9172159.500110.9R752 R754 R755 D763 F766R752-E758 IonicContact CZ-OE1 3.97Å; R752-E758 IonicContact CZ-OE2 2.71Å; R752-E758 IonicContact NH1-OE1 2.71Å; R752-E758 PolarHBondContact NH1-OE1 3.28Å; R752-E758 IonicContact NH1-OE2 2.7Å; R752-E758 PolarHBondContact NH1-OE2 3.29Å; R752-E758 VanDerWaalsContact NH2-CD 3.29Å; R752-E758 IonicContact NH2-OE1 2.68Å; R752-E758 PolarHBondContact NH2-OE1 3.31Å; R752-E758 IonicContact NH2-OE2 2.77Å; R752-E758 PolarHBondContact NH2-OE2 3.42Å; R752-E758 VanDerWaalsContact NH2-OE2 3.1Å; R754-E758 VanDerWaalsContact CD-O 3.23Å; R754-E758 WeakPolarHBondContact CD-O 3.4Å; R754-E758 HydrophobicContact CG-CB 4Å; R754-E758 WeakPolarHBondContact CG-O 3.37Å; R754-E758 PolarHBondContact NH1-O 2.96Å; R755-E758 HydrophobicContact CB-CB 4.48Å; R755-E758 HydrophobicContact CB-CG 3.97Å; R755-E758 WeakPolarHBondContact CB-OE2 3.26Å; R755-E758 WeakPolarHBondContact CD-OE1 3.32Å; R755-E758 WeakPolarHBondContact CG-OE2 3.29Å; R755-E758 IonicContact CZ-OE1 3.73Å; R755-E758 PolarHBondContact N-OE2 2.84Å; R755-E758 IonicContact NE-OE1 2.7Å; R755-E758 IonicContact NH1-OE1 3.47Å; R755-E758 PolarHBondContact NH1-OE1 3.15Å; R755-E758 PolarHBondContact O-N 3.3Å; R755-E758 VanDerWaalsContact O-N 3.08Å; E758-D763 VanDerWaalsContact CA-OD2 3.31Å; E758-D763 WeakPolarHBondContact CA-OD2 3.5Å; E758-D763 HydrophobicContact CB-CB 4.41Å; E758-F766 HydrophobicContact CB-CE2 4.36Å; E758-F766 HydrophobicContact CB-CZ 3.94Å
759I94.9Very high94.8Very high93 Ų9373.6 Ų73.648%0.47739%0.391SS..  trans-114.2129.1-176.4-63.4173.7000109.8Q762 D763I759-Q762 HydrophobicContact CB-CB 4.03Å; I759-Q762 HydrophobicContact CG2-CB 3.93Å; I759-Q762 PolarHBondContact O-N 3.15Å; I759-D763 PolarHBondContact N-OD2 3.36Å; I759-D763 PolarHBondContact O-N 3.19Å
760D94.3Very high94.7Very high93 Ų9374.8 Ų74.850%0.49739%0.394SS..BIsolated β-bridgetrans-67.8135.6176.9-174.453.2000111.2Q762 Y764 H765 F766D760-Q762 PolarHBondContact O-N 2.96Å; D760-Y764 WeakPolarHBondContact CA-O 3.49Å; D760-H765 WeakPolarHBondContact OD1-CA 3.33Å; D760-F766 HydrophobicContact CB-CD2 3.84Å; D760-F766 HydrophobicContact CB-CE2 4.48Å; D760-F766 WeakPolarHBondContact OD1-CD2 3.39Å; D760-F766 PolarHBondContact OD1-N 3.49Å
761G90.1Very high94.6Very high36 Ų3681 Ų8137%0.37142%0.423SS..THydrogen-bonded Turntrans72.38.5-173.100000114.9Y764G761-Y764 PolarHBondContact N-O 3.48Å
762Q90.4Very high94.5Very high127 Ų12784 Ų8459%0.59344%0.435SS*.THydrogen-bonded Turntrans-121.7-59170.5178.5175.5-18.100111.7I759 D760I759-Q762 HydrophobicContact CB-CB 4.03Å; I759-Q762 HydrophobicContact CG2-CB 3.93Å; I759-Q762 PolarHBondContact O-N 3.15Å; D760-Q762 PolarHBondContact O-N 2.96Å
763D91.9Very high94.5Very high63 Ų6383 Ų8334%0.33743%0.431SS..THydrogen-bonded Turntrans-81.3-48.1177.9-63.5-74.1000110.9E758 I759E758-D763 VanDerWaalsContact CA-OD2 3.31Å; E758-D763 WeakPolarHBondContact CA-OD2 3.5Å; E758-D763 HydrophobicContact CB-CB 4.41Å; I759-D763 PolarHBondContact N-OD2 3.36Å; I759-D763 PolarHBondContact O-N 3.19Å
764Y96.5Very high94.6Very high65 Ų6581.3 Ų81.326%0.25542%0.415SS..BIsolated β-bridgetrans-147.3159174.1-65.8-94000109.5P748 T750 D760 G761 F766 Y793P748-Y764 HydrophobicContact CB-CD1 4.22Å; P748-Y764 HydrophobicContact CB-CE1 4.3Å; P748-Y764 HydrophobicContact CG-CD1 3.66Å; P748-Y764 HydrophobicContact CG-CE1 3.65Å; P748-Y764 HydrophobicContact CG-CG 4.44Å; P748-Y764 CarbonylContact O-C 3.24Å; P748-Y764 VanDerWaalsContact O-CA 3.26Å; P748-Y764 WeakPolarHBondContact O-CA 3.29Å; T750-Y764 HydrophobicContact CG2-CD1 3.67Å; T750-Y764 HydrophobicContact CG2-CD2 4.42Å; T750-Y764 HydrophobicContact CG2-CE1 4.45Å; T750-Y764 HydrophobicContact CG2-CG 3.69Å; D760-Y764 WeakPolarHBondContact CA-O 3.49Å; G761-Y764 PolarHBondContact N-O 3.48Å; Y764-F766 HydrophobicContact CD2-CE1 4.2Å; Y764-F766 HydrophobicContact CD2-CZ 4.01Å; Y764-F766 HydrophobicContact CG-CE1 4.27Å; Y764-F766 HydrophobicContact CG-CZ 4.31Å; Y764-Y793 HydrophobicContact CD1-CD1 4.37Å; Y764-Y793 AromaticContact CE1-CD1 3.71Å; Y764-Y793 HydrophobicContact CE1-CD1 3.71Å; Y764-Y793 AromaticContact CE1-CE1 3.94Å; Y764-Y793 HydrophobicContact CE1-CE1 3.94Å
765H96.4Very high94.6Very high67 Ų6779.9 Ų79.931%0.3141%0.413SS..EExtended strand (participates in β ladder)trans-83.4114.6152.8-65.1-74000108.7P748 H749 T750 D760 V767P748-H765 PolarHBondContact O-N 3.27Å; H749-H765 CarbonylContact C-O 3.58Å; H749-H765 WeakPolarHBondContact CA-O 3.17Å; H749-H765 HydrophobicContact CB-CB 4.43Å; H749-H765 AromaticContact CE1-CD2 3.36Å; H749-H765 PolarHBondContact CE1-CD2 3.09Å; H749-H765 AromaticContact CE1-CG 3.8Å; H749-H765 AromaticContact ND1-CD2 3.59Å; T750-H765 PolarHBondContact N-O 2.87Å; D760-H765 WeakPolarHBondContact OD1-CA 3.33Å; H765-V767 PolarHBondContact O-N 2.96Å
766F96.8Very high94.6Very high41 Ų4174.9 Ų74.918%0.1840%0.396CS..EExtended strand (participates in β ladder)trans-88.998.2-174.1-67.4-74.1000111.2T750 R752 R754 E758 D760 Y764 G768T750-F766 HydrophobicContact CG2-CD1 3.65Å; T750-F766 HydrophobicContact CG2-CE1 3.77Å; R752-F766 WeakPolarHBondContact O-CD1 3.38Å; R754-F766 HydrophobicContact CB-CD1 3.97Å; R754-F766 HydrophobicContact CB-CD2 3.81Å; R754-F766 HydrophobicContact CB-CE1 3.98Å; R754-F766 HydrophobicContact CB-CE2 3.85Å; R754-F766 HydrophobicContact CB-CG 3.87Å; R754-F766 HydrophobicContact CB-CZ 3.92Å; R754-F766 HydrophobicContact CG-CD2 3.84Å; R754-F766 HydrophobicContact CG-CE1 4.36Å; R754-F766 HydrophobicContact CG-CE2 3.5Å; R754-F766 VanDerWaalsContact CG-CE2 3.5Å; R754-F766 HydrophobicContact CG-CG 4.41Å; R754-F766 HydrophobicContact CG-CZ 3.77Å; E758-F766 HydrophobicContact CB-CE2 4.36Å; E758-F766 HydrophobicContact CB-CZ 3.94Å; D760-F766 HydrophobicContact CB-CD2 3.84Å; D760-F766 HydrophobicContact CB-CE2 4.48Å; D760-F766 WeakPolarHBondContact OD1-CD2 3.39Å; D760-F766 PolarHBondContact OD1-N 3.49Å; Y764-F766 HydrophobicContact CD2-CE1 4.2Å; Y764-F766 HydrophobicContact CD2-CZ 4.01Å; Y764-F766 HydrophobicContact CG-CE1 4.27Å; Y764-F766 HydrophobicContact CG-CZ 4.31Å; F766-G768 PolarHBondContact O-N 3.33Å
767V95.7Very high94.7Very high33 Ų3367.4 Ų67.420%0.236%0.362CS..  trans-83.2112.1-173.5-168.10000110.8H749 T750 H765 S769 M773H749-V767 HydrophobicContact CB-CG2 4.09Å; T750-V767 PolarHBondContact O-N 3.22Å; H765-V767 PolarHBondContact O-N 2.96Å; V767-S769 VanDerWaalsContact C-N 3.3Å; V767-S769 WeakPolarHBondContact CG1-O 3.27Å; V767-S769 PolarHBondContact O-N 3.31Å; V767-M773 HydrophobicContact CG1-CB 4.21Å; V767-M773 HydrophobicContact CG2-SD 4.23Å
768G90.8Very high94.7Very high92 Ų9268.1 Ų68.195%0.94836%0.361SS*.SBendtrans-71.5-11.1-173.800000116.9F766F766-G768 PolarHBondContact O-N 3.33Å
769S95.6Very high94.7Very high42 Ų4271.5 Ų71.529%0.29438%0.379SS..  trans-125.6127172.9161.20000109.7V767 E771 Q772 M773V767-S769 VanDerWaalsContact C-N 3.3Å; V767-S769 WeakPolarHBondContact CG1-O 3.27Å; V767-S769 PolarHBondContact O-N 3.31Å; S769-E771 PolarHBondContact OG-N 2.89Å; S769-E771 PolarHBondContact OG-OE2 3.37Å; S769-Q772 PolarHBondContact OG-N 3.14Å; S769-M773 PolarHBondContact O-N 3.31Å
770R94.2Very high94.6Very high61 Ų6171.1 Ų71.123%0.2338%0.378CS..Hα-helixtrans-70.3-38.1175.3175.5172.9167.9138.76.7110.8T751 Q772 M773 E774 E790 L792T751-R770 HydrophobicContact CG2-CB 4.01Å; T751-R770 HydrophobicContact CG2-CG 4.23Å; R770-Q772 VanDerWaalsContact C-N 3.31Å; R770-Q772 PolarHBondContact O-N 3.26Å; R770-M773 PolarHBondContact O-N 2.9Å; R770-M773 VanDerWaalsContact O-N 3.14Å; R770-E774 HydrophobicContact CG-CG 4.3Å; R770-E774 IonicContact CZ-OE1 2.95Å; R770-E774 IonicContact NE-OE1 2.66Å; R770-E774 PolarHBondContact NE-OE1 3.43Å; R770-E774 IonicContact NH2-OE1 2.83Å; R770-E774 PolarHBondContact NH2-OE1 2.88Å; R770-E774 WeakPolarHBondContact O-CG 3.22Å; R770-E774 PolarHBondContact O-N 2.62Å; R770-E790 PolarHBondContact NH1-O 3.08Å; R770-L792 HydrophobicContact CG-CD1 3.91Å; R770-L792 HydrophobicContact CG-CG 4.35Å
771E96.2Very high94.7Very high131 Ų13171 Ų7161%0.61237%0.373SS*.Hα-helixtrans-61-41.3-179.3-51.968.6-148.600110.7S769 E774 K775S769-E771 PolarHBondContact OG-N 2.89Å; S769-E771 PolarHBondContact OG-OE2 3.37Å; E771-E774 PolarHBondContact O-N 2.76Å; E771-K775 WeakPolarHBondContact O-CB 3.39Å; E771-K775 PolarHBondContact O-N 3.08Å
772Q95.4Very high95Very high83 Ų8369.5 Ų69.539%0.38836%0.357SS..Hα-helixtrans-65.8-43.6174.2-178.953.646.300111.6S769 R770 E774 K775 D776S769-Q772 PolarHBondContact OG-N 3.14Å; R770-Q772 VanDerWaalsContact C-N 3.31Å; R770-Q772 PolarHBondContact O-N 3.26Å; Q772-E774 PolarHBondContact O-N 3.27Å; Q772-K775 WeakPolarHBondContact O-CB 3.24Å; Q772-K775 PolarHBondContact O-N 2.77Å; Q772-D776 PolarHBondContact NE2-OD1 3.39Å; Q772-D776 PolarHBondContact NE2-OD2 2.93Å; Q772-D776 VanDerWaalsContact O-CG 3.32Å; Q772-D776 PolarHBondContact O-N 3.27Å
773M96.3Very high95.3Very high1 Ų163.7 Ų63.71%0.00533%0.33CS..Hα-helixtrans-65.7-38.2176.2-172166.7176.600112.3H749 T751 V767 S769 R770 K775 D776 I777 F782 L792H749-M773 HydrophobicContact CB-CE 3.97Å; H749-M773 HydrophobicContact CB-SD 4.42Å; T751-M773 HydrophobicContact CG2-CB 4.04Å; T751-M773 HydrophobicContact CG2-CG 4.44Å; T751-M773 HydrophobicContact CG2-SD 3.73Å; V767-M773 HydrophobicContact CG1-CB 4.21Å; V767-M773 HydrophobicContact CG2-SD 4.23Å; S769-M773 PolarHBondContact O-N 3.31Å; R770-M773 PolarHBondContact O-N 2.9Å; R770-M773 VanDerWaalsContact O-N 3.14Å; M773-K775 VanDerWaalsContact C-N 3.34Å; M773-D776 PolarHBondContact O-N 2.83Å; M773-I777 HydrophobicContact CE-CD1 4.46Å; M773-I777 HydrophobicContact CG-CD1 4.1Å; M773-I777 WeakPolarHBondContact O-CD1 3.41Å; M773-I777 VanDerWaalsContact O-CG1 3.23Å; M773-I777 WeakPolarHBondContact O-CG1 3.47Å; M773-I777 PolarHBondContact O-N 3.25Å; M773-F782 HydrophobicContact CE-CE1 3.87Å; M773-F782 HydrophobicContact CE-CZ 3.89Å; M773-F782 HydrophobicContact CG-CE2 4.41Å; M773-F782 HydrophobicContact CG-CZ 4.3Å; M773-L792 HydrophobicContact CB-CD1 4.45Å; M773-L792 HydrophobicContact CE-CB 4.1Å; M773-L792 HydrophobicContact CG-CD1 4.36Å; M773-L792 HydrophobicContact SD-CB 3.89Å
774E96.7Very high95.5Very high68 Ų6863.8 Ų63.832%0.31833%0.328SS..Hα-helixtrans-63.5-40.1173.9-71.7-176.5170.800111.8R770 E771 Q772 I777 Q778 L792R770-E774 HydrophobicContact CG-CG 4.3Å; R770-E774 IonicContact CZ-OE1 2.95Å; R770-E774 IonicContact NE-OE1 2.66Å; R770-E774 PolarHBondContact NE-OE1 3.43Å; R770-E774 IonicContact NH2-OE1 2.83Å; R770-E774 PolarHBondContact NH2-OE1 2.88Å; R770-E774 WeakPolarHBondContact O-CG 3.22Å; R770-E774 PolarHBondContact O-N 2.62Å; E771-E774 PolarHBondContact O-N 2.76Å; Q772-E774 PolarHBondContact O-N 3.27Å; E774-I777 PolarHBondContact O-N 3.1Å; E774-Q778 VanDerWaalsContact O-CG 3.3Å; E774-Q778 WeakPolarHBondContact O-CG 3.27Å; E774-Q778 PolarHBondContact O-N 2.95Å; E774-Q778 VanDerWaalsContact O-N 3.09Å; E774-Q778 PolarHBondContact O-NE2 2.86Å; E774-L792 HydrophobicContact CG-CD1 3.42Å; E774-L792 VanDerWaalsContact CG-CD1 3.42Å
775K96.7Very high95.4Very high109 Ų10962.8 Ų62.847%0.47433%0.333SS..Hα-helixtrans-63.3-45.1171.6-176.8-178.5175.3-176.40111.8E771 Q772 M773 I777 Q778 D779E771-K775 WeakPolarHBondContact O-CB 3.39Å; E771-K775 PolarHBondContact O-N 3.08Å; Q772-K775 WeakPolarHBondContact O-CB 3.24Å; Q772-K775 PolarHBondContact O-N 2.77Å; M773-K775 VanDerWaalsContact C-N 3.34Å; K775-I777 VanDerWaalsContact C-N 3.26Å; K775-I777 PolarHBondContact O-N 3.34Å; K775-Q778 CarbonylContact O-C 3.51Å; K775-Q778 WeakPolarHBondContact O-CA 3.43Å; K775-Q778 WeakPolarHBondContact O-CB 3.44Å; K775-Q778 PolarHBondContact O-N 3.15Å; K775-D779 WeakPolarHBondContact O-CB 3.4Å; K775-D779 PolarHBondContact O-N 2.99Å
776D95.9Very high95.2Very high31 Ų3161.6 Ų61.617%0.16634%0.339CS..Hα-helixtrans-65.3-29.4179.4-70.7-38.1000112.8Q772 M773 K781 F782Q772-D776 PolarHBondContact NE2-OD1 3.39Å; Q772-D776 PolarHBondContact NE2-OD2 2.93Å; Q772-D776 VanDerWaalsContact O-CG 3.32Å; Q772-D776 PolarHBondContact O-N 3.27Å; M773-D776 PolarHBondContact O-N 2.83Å; D776-K781 HydrophobicContact CB-CB 4.45Å; D776-K781 HydrophobicContact CB-CD 3.97Å; D776-K781 WeakPolarHBondContact O-CB 3.22Å; D776-K781 PolarHBondContact O-N 3.48Å; D776-K781 VanDerWaalsContact OD1-CD 3.29Å; D776-K781 WeakPolarHBondContact OD1-CD 3.13Å; D776-K781 IonicContact OD1-NZ 2.66Å; D776-K781 PolarHBondContact OD1-NZ 2.84Å; D776-F782 HydrophobicContact CB-CD2 4.28Å; D776-F782 HydrophobicContact CB-CE2 3.8Å
777I93.9Very high95Very high42 Ų4263.3 Ų63.322%0.21535%0.348CS..Hα-helixtrans-68.9-40.3170.6-69162000111.2M773 E774 K775 N780 F782 A785 L792M773-I777 HydrophobicContact CE-CD1 4.46Å; M773-I777 HydrophobicContact CG-CD1 4.1Å; M773-I777 WeakPolarHBondContact O-CD1 3.41Å; M773-I777 VanDerWaalsContact O-CG1 3.23Å; M773-I777 WeakPolarHBondContact O-CG1 3.47Å; M773-I777 PolarHBondContact O-N 3.25Å; E774-I777 PolarHBondContact O-N 3.1Å; K775-I777 VanDerWaalsContact C-N 3.26Å; K775-I777 PolarHBondContact O-N 3.34Å; I777-N780 PolarHBondContact O-N 2.85Å; I777-F782 HydrophobicContact CB-CD2 4.45Å; I777-F782 HydrophobicContact CG1-CB 4.24Å; I777-F782 HydrophobicContact CG1-CD2 3.58Å; I777-F782 HydrophobicContact CG1-CE2 4.14Å; I777-F782 HydrophobicContact CG1-CG 3.91Å; I777-A785 HydrophobicContact CD1-CB 3.61Å; I777-A785 HydrophobicContact CG1-CB 3.84Å; I777-A785 HydrophobicContact CG2-CB 4.47Å; I777-L792 HydrophobicContact CD1-CD1 4.34Å
778Q94.3Very high94.8Very high143 Ų14367.9 Ų67.967%0.66837%0.365SS*.Hα-helixtrans-68.5-40.1175.4-69.4168.639.800112.5E774 K775 N780E774-Q778 VanDerWaalsContact O-CG 3.3Å; E774-Q778 WeakPolarHBondContact O-CG 3.27Å; E774-Q778 PolarHBondContact O-N 2.95Å; E774-Q778 VanDerWaalsContact O-N 3.09Å; E774-Q778 PolarHBondContact O-NE2 2.86Å; K775-Q778 CarbonylContact O-C 3.51Å; K775-Q778 WeakPolarHBondContact O-CA 3.43Å; K775-Q778 WeakPolarHBondContact O-CB 3.44Å; K775-Q778 PolarHBondContact O-N 3.15Å; Q778-N780 PolarHBondContact O-N 3.26Å; Q778-N780 PolarHBondContact O-ND2 3.37Å
779D94.9Very high94.9Very high80 Ų8069 Ų6943%0.42835%0.35SS..THydrogen-bonded Turntrans-68.37.8171.8-67.1-11.1000112.6K775 K781K775-D779 WeakPolarHBondContact O-CB 3.4Å; K775-D779 PolarHBondContact O-N 2.99Å; D779-K781 VanDerWaalsContact C-N 3.26Å; D779-K781 HydrophobicContact CB-CD 4.12Å; D779-K781 HydrophobicContact CB-CG 4.15Å; D779-K781 PolarHBondContact O-N 3.43Å; D779-K781 WeakPolarHBondContact OD2-CE 3.41Å; D779-K781 IonicContact OD2-NZ 2.7Å; D779-K781 PolarHBondContact OD2-NZ 2.89Å
780N93.8Very high94.7Very high85 Ų8573.6 Ų73.646%0.45537%0.366SS..THydrogen-bonded Turntrans58.722.1180-63.1-69.6000116.1I777 Q778 F782 I797 R821I777-N780 PolarHBondContact O-N 2.85Å; Q778-N780 PolarHBondContact O-N 3.26Å; Q778-N780 PolarHBondContact O-ND2 3.37Å; N780-F782 PolarHBondContact O-N 2.92Å; N780-I797 WeakPolarHBondContact O-CD1 3.47Å; N780-R821 VanDerWaalsContact OD1-CZ 3.31Å; N780-R821 PolarHBondContact OD1-NH1 2.81Å; N780-R821 PolarHBondContact OD1-NH2 3.49Å; N780-R821 VanDerWaalsContact OD1-NH2 3.12Å
781K96.1Very high94.7Very high91 Ų9172.6 Ų72.640%0.39637%0.365SS..  trans-73.1-5.9-179.9-59.2167.8-170152.50113.7D776 D779 S796 I797D776-K781 HydrophobicContact CB-CB 4.45Å; D776-K781 HydrophobicContact CB-CD 3.97Å; D776-K781 WeakPolarHBondContact O-CB 3.22Å; D776-K781 PolarHBondContact O-N 3.48Å; D776-K781 VanDerWaalsContact OD1-CD 3.29Å; D776-K781 WeakPolarHBondContact OD1-CD 3.13Å; D776-K781 IonicContact OD1-NZ 2.66Å; D776-K781 PolarHBondContact OD1-NZ 2.84Å; D779-K781 VanDerWaalsContact C-N 3.26Å; D779-K781 HydrophobicContact CB-CD 4.12Å; D779-K781 HydrophobicContact CB-CG 4.15Å; D779-K781 PolarHBondContact O-N 3.43Å; D779-K781 WeakPolarHBondContact OD2-CE 3.41Å; D779-K781 IonicContact OD2-NZ 2.7Å; D779-K781 PolarHBondContact OD2-NZ 2.89Å; K781-S796 CarbonylContact O-C 3.56Å; K781-S796 WeakPolarHBondContact O-CA 3.42Å; K781-I797 PolarHBondContact O-N 3.25Å
782F97Very high94.7Very high5 Ų566.9 Ų66.92%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-110.6138.7179.7-76.8-92000112.3H749 M773 D776 I777 N780 A785 T795 R821H749-F782 HydrophobicContact CB-CE1 3.92Å; H749-F782 HydrophobicContact CB-CZ 4Å; H749-F782 AromaticContact CD2-CZ 3.85Å; H749-F782 AromaticContact CG-CE1 3.98Å; H749-F782 AromaticContact CG-CZ 3.92Å; M773-F782 HydrophobicContact CE-CE1 3.87Å; M773-F782 HydrophobicContact CE-CZ 3.89Å; M773-F782 HydrophobicContact CG-CE2 4.41Å; M773-F782 HydrophobicContact CG-CZ 4.3Å; D776-F782 HydrophobicContact CB-CD2 4.28Å; D776-F782 HydrophobicContact CB-CE2 3.8Å; I777-F782 HydrophobicContact CB-CD2 4.45Å; I777-F782 HydrophobicContact CG1-CB 4.24Å; I777-F782 HydrophobicContact CG1-CD2 3.58Å; I777-F782 HydrophobicContact CG1-CE2 4.14Å; I777-F782 HydrophobicContact CG1-CG 3.91Å; N780-F782 PolarHBondContact O-N 2.92Å; F782-A785 HydrophobicContact CB-CB 4.43Å; F782-T795 WeakPolarHBondContact CA-O 3.46Å; F782-T795 VanDerWaalsContact CD1-C 3.47Å; F782-T795 WeakPolarHBondContact CD1-O 3.4Å; F782-R821 PolarHBondContact O-NH1 2.83Å
783I96.3Very high94.7Very high4 Ų465.4 Ų65.42%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-83.6-31.8173.362.2159.6000112T795 I797 V800 L812 V814 A818 R821 L822I783-T795 HydrophobicContact CD1-CG2 3.86Å; I783-T795 HydrophobicContact CG1-CG2 3.88Å; I783-T795 WeakPolarHBondContact CG1-O 3.19Å; I783-T795 PolarHBondContact N-O 3.48Å; I783-I797 HydrophobicContact CG2-CG1 3.56Å; I783-V800 HydrophobicContact CD1-CG2 3.82Å; I783-V800 HydrophobicContact CG1-CG2 4.49Å; I783-L812 HydrophobicContact CD1-CD1 3.92Å; I783-L812 HydrophobicContact CD1-CD2 4.35Å; I783-V814 HydrophobicContact CD1-CG1 4.24Å; I783-A818 HydrophobicContact CB-CB 4.42Å; I783-A818 HydrophobicContact CD1-CB 4.26Å; I783-R821 HydrophobicContact CB-CB 4.2Å; I783-R821 HydrophobicContact CG2-CB 4.36Å; I783-R821 WeakPolarHBondContact O-CG 3.48Å; I783-L822 HydrophobicContact CB-CG 4.39Å; I783-L822 HydrophobicContact CD1-CD1 4.13Å; I783-L822 HydrophobicContact CD1-CD2 4.42Å; I783-L822 HydrophobicContact CD1-CG 4.3Å; I783-L822 HydrophobicContact CG2-CD2 3.75Å; I783-L822 HydrophobicContact CG2-CG 3.82Å
784E95.5Very high94.6Very high65 Ų6565.7 Ų65.730%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-152.3142.9172.4-174.415889.600108.8G794 T795 V814 S815E784-G794 CarbonylContact O-C 3.55Å; E784-G794 WeakPolarHBondContact O-CA 3.48Å; E784-T795 PolarHBondContact O-N 3.47Å; E784-V814 HydrophobicContact CB-CG1 4.2Å; E784-V814 VanDerWaalsContact OE1-CA 3.29Å; E784-V814 WeakPolarHBondContact OE1-CA 3.4Å; E784-S815 PolarHBondContact OE1-N 3.01Å; E784-S815 WeakPolarHBondContact OE2-CB 3.41Å; E784-S815 PolarHBondContact OE2-N 3.25Å; E784-S815 PolarHBondContact OE2-OG 3.05Å
785A94.4Very high94.6Very high44 Ų4463.5 Ų63.536%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-151.4151.3174.800000110.8I777 F782 Y793I777-A785 HydrophobicContact CD1-CB 3.61Å; I777-A785 HydrophobicContact CG1-CB 3.84Å; I777-A785 HydrophobicContact CG2-CB 4.47Å; F782-A785 HydrophobicContact CB-CB 4.43Å; A785-Y793 CarbonylContact C-O 3.58Å; A785-Y793 VanDerWaalsContact CA-O 3.22Å; A785-Y793 WeakPolarHBondContact CA-O 3.49Å
786G91.9Very high94.6Very high42 Ų4258.6 Ų58.643%0.43330%0.304SS..EExtended strand (participates in β ladder)trans-156.8167.5-179.900000112.8L792 Y793G786-L792 WeakPolarHBondContact O-CA 3.47Å; G786-Y793 PolarHBondContact N-O 3.09Å; G786-Y793 PolarHBondContact O-N 2.99Å
787Q94Very high94.7Very high78 Ų7858.8 Ų58.836%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-108.4130.7177.5-179.6167.3-33.200110.7E790 N791 L792Q787-E790 VanDerWaalsContact NE2-CD 3.27Å; Q787-E790 PolarHBondContact NE2-OE1 3.34Å; Q787-E790 PolarHBondContact NE2-OE2 2.96Å; Q787-N791 CarbonylContact C-O 3.54Å; Q787-N791 WeakPolarHBondContact CA-O 3.45Å; Q787-L792 HydrophobicContact CB-CD2 3.88Å; Q787-L792 HydrophobicContact CG-CD2 4.27Å
788F91.6Very high94.9Very high128 Ų12862.4 Ų62.456%0.56132%0.324SS*.EExtended strand (participates in β ladder)trans-140.2127.3174.6-179.6-106.7000110.2E790 N791 Y793F788-E790 PolarHBondContact O-N 2.85Å; F788-N791 PolarHBondContact N-O 2.89Å; F788-N791 PolarHBondContact O-N 3.47Å; F788-N791 VanDerWaalsContact O-N 3.08Å; F788-N791 VanDerWaalsContact O-O 3.14Å; F788-Y793 HydrophobicContact CB-CD2 4.04Å; F788-Y793 HydrophobicContact CB-CE2 3.93Å; F788-Y793 HydrophobicContact CD1-CE2 4.33Å
789N92.6Very high95Very high117 Ų11756 Ų5663%0.62630%0.295SS*.THydrogen-bonded Turntrans46.156.8-175.7-63.5-11.3000112.6N791N789-N791 PolarHBondContact O-N 3.32Å; N789-N791 PolarHBondContact O-ND2 3.22Å
790E92.1Very high95.2Very high138 Ų13852.1 Ų52.165%0.64528%0.275SS*.THydrogen-bonded Turntrans56.74.6-176.9-55-45.193.400117.9R770 Q787 F788R770-E790 PolarHBondContact NH1-O 3.08Å; Q787-E790 VanDerWaalsContact NE2-CD 3.27Å; Q787-E790 PolarHBondContact NE2-OE1 3.34Å; Q787-E790 PolarHBondContact NE2-OE2 2.96Å; F788-E790 PolarHBondContact O-N 2.85Å
791N94.1Very high95.3Very high39 Ų3951.3 Ų51.321%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-108146176.6-68.6-80.1000110.9T751 R752 Q787 F788 N789 Y793T751-N791 PolarHBondContact O-OD1 2.61Å; T751-N791 WeakPolarHBondContact OG1-CA 3.49Å; T751-N791 PolarHBondContact OG1-OD1 2.7Å; R752-N791 WeakPolarHBondContact CA-OD1 3.32Å; R752-N791 HydrophobicContact CB-CB 3.92Å; R752-N791 PolarHBondContact N-OD1 3.15Å; Q787-N791 CarbonylContact C-O 3.54Å; Q787-N791 WeakPolarHBondContact CA-O 3.45Å; F788-N791 PolarHBondContact N-O 2.89Å; F788-N791 PolarHBondContact O-N 3.47Å; F788-N791 VanDerWaalsContact O-N 3.08Å; F788-N791 VanDerWaalsContact O-O 3.14Å; N789-N791 PolarHBondContact O-N 3.32Å; N789-N791 PolarHBondContact O-ND2 3.22Å; N791-Y793 HydrophobicContact CB-CE2 3.87Å
792L94.8Very high95.3Very high12 Ų1249.3 Ų49.36%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-86149173-57180000110.2T750 T751 R770 M773 E774 I777 G786 Q787T750-L792 WeakPolarHBondContact CA-O 3.15Å; T750-L792 WeakPolarHBondContact CB-O 3.17Å; T750-L792 PolarHBondContact OG1-O 2.89Å; T751-L792 HydrophobicContact CG2-CB 3.92Å; T751-L792 HydrophobicContact CG2-CD1 4.36Å; T751-L792 HydrophobicContact CG2-CG 4.3Å; T751-L792 PolarHBondContact N-O 3.13Å; T751-L792 VanDerWaalsContact N-O 3.09Å; T751-L792 PolarHBondContact OG1-N 3.15Å; R770-L792 HydrophobicContact CG-CD1 3.91Å; R770-L792 HydrophobicContact CG-CG 4.35Å; M773-L792 HydrophobicContact CB-CD1 4.45Å; M773-L792 HydrophobicContact CE-CB 4.1Å; M773-L792 HydrophobicContact CG-CD1 4.36Å; M773-L792 HydrophobicContact SD-CB 3.89Å; E774-L792 HydrophobicContact CG-CD1 3.42Å; E774-L792 VanDerWaalsContact CG-CD1 3.42Å; I777-L792 HydrophobicContact CD1-CD1 4.34Å; G786-L792 WeakPolarHBondContact O-CA 3.47Å; Q787-L792 HydrophobicContact CB-CD2 3.88Å; Q787-L792 HydrophobicContact CG-CD2 4.27Å
793Y96.1Very high95.3Very high51 Ų5149.9 Ų49.920%0.226%0.264CS..EExtended strand (participates in β ladder)trans-138.1146.2174.1-65.1-96.5000107.9H749 T750 R752 Y764 A785 G786 F788 N791H749-Y793 WeakPolarHBondContact O-CA 3.46Å; T750-Y793 HydrophobicContact CG2-CE1 4.34Å; T750-Y793 WeakPolarHBondContact OG1-CD1 3.41Å; T750-Y793 WeakPolarHBondContact OG1-CE1 3.46Å; R752-Y793 VanDerWaalsContact CD-OH 3.29Å; R752-Y793 WeakPolarHBondContact CD-OH 3.4Å; R752-Y793 PolarHBondContact NE-OH 2.95Å; Y764-Y793 HydrophobicContact CD1-CD1 4.37Å; Y764-Y793 AromaticContact CE1-CD1 3.71Å; Y764-Y793 HydrophobicContact CE1-CD1 3.71Å; Y764-Y793 AromaticContact CE1-CE1 3.94Å; Y764-Y793 HydrophobicContact CE1-CE1 3.94Å; A785-Y793 CarbonylContact C-O 3.58Å; A785-Y793 VanDerWaalsContact CA-O 3.22Å; A785-Y793 WeakPolarHBondContact CA-O 3.49Å; G786-Y793 PolarHBondContact N-O 3.09Å; G786-Y793 PolarHBondContact O-N 2.99Å; F788-Y793 HydrophobicContact CB-CD2 4.04Å; F788-Y793 HydrophobicContact CB-CE2 3.93Å; F788-Y793 HydrophobicContact CD1-CE2 4.33Å; N791-Y793 HydrophobicContact CB-CE2 3.87Å
794G94.4Very high95.4Very high8 Ų849.7 Ų49.78%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-177.3160.2174.600000114.3H749 E784H749-G794 PolarHBondContact N-O 3.27Å; H749-G794 PolarHBondContact O-N 3.19Å; E784-G794 CarbonylContact O-C 3.55Å; E784-G794 WeakPolarHBondContact O-CA 3.48Å
795T96.7Very high95.4Very high21 Ų2151.9 Ų51.913%0.12927%0.274CS..EExtended strand (participates in β ladder)trans-102.3118177.6-59.90000109.1C746 F782 I783 E784 V800 L812C746-T795 WeakPolarHBondContact SG-CG2 3.12Å; F782-T795 WeakPolarHBondContact CA-O 3.46Å; F782-T795 VanDerWaalsContact CD1-C 3.47Å; F782-T795 WeakPolarHBondContact CD1-O 3.4Å; I783-T795 HydrophobicContact CD1-CG2 3.86Å; I783-T795 HydrophobicContact CG1-CG2 3.88Å; I783-T795 WeakPolarHBondContact CG1-O 3.19Å; I783-T795 PolarHBondContact N-O 3.48Å; E784-T795 PolarHBondContact O-N 3.47Å; T795-V800 HydrophobicContact CG2-CG2 3.76Å; T795-L812 HydrophobicContact CG2-CD2 4.32Å
796S97.3Very high95.5Very high6 Ų659 Ų594%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-80.9151.3-179.886.20000111.3H749 K781 L798 S799 V800H749-S796 PolarHBondContact CE1-OG 3.28Å; K781-S796 CarbonylContact O-C 3.56Å; K781-S796 WeakPolarHBondContact O-CA 3.42Å; S796-L798 PolarHBondContact O-N 2.85Å; S796-L798 PolarHBondContact OG-N 2.94Å; S796-S799 WeakPolarHBondContact O-CB 3.49Å; S796-S799 PolarHBondContact O-N 2.7Å; S796-S799 PolarHBondContact OG-N 3.2Å; S796-S799 PolarHBondContact OG-OG 3.3Å; S796-V800 PolarHBondContact O-N 3.44Å
797I97.5Very high95.7Very high35 Ų3559.2 Ų59.218%0.17929%0.293CS..Hα-helixtrans-56.3-38.6172.5-67.6166.8000110N780 K781 I783 V800 R801 A825 L827N780-I797 WeakPolarHBondContact O-CD1 3.47Å; K781-I797 PolarHBondContact O-N 3.25Å; I783-I797 HydrophobicContact CG2-CG1 3.56Å; I797-V800 PolarHBondContact O-N 2.99Å; I797-R801 VanDerWaalsContact O-CB 3.25Å; I797-R801 WeakPolarHBondContact O-CB 3.5Å; I797-R801 PolarHBondContact O-N 2.88Å; I797-A825 HydrophobicContact CD1-CB 3.76Å; I797-A825 HydrophobicContact CG1-CB 4.1Å; I797-A825 HydrophobicContact CG2-CB 3.82Å; I797-L827 HydrophobicContact CG2-CD1 4.15Å
798L96.8Very high95.8Very high118 Ų11858.8 Ų58.862%0.61829%0.29SS*.Hα-helixtrans-66.3-38.8179-175.961.1000112.2S796 V800 R801 T802S796-L798 PolarHBondContact O-N 2.85Å; S796-L798 PolarHBondContact OG-N 2.94Å; L798-V800 VanDerWaalsContact C-N 3.33Å; L798-V800 PolarHBondContact O-N 3.38Å; L798-R801 PolarHBondContact O-N 2.93Å; L798-T802 WeakPolarHBondContact O-CB 3.42Å; L798-T802 PolarHBondContact O-N 2.87Å; L798-T802 PolarHBondContact O-OG1 2.94Å
799S97.3Very high96.2Very high8 Ų853.4 Ų53.46%0.05627%0.267CS..Hα-helixtrans-58.4-45.2174.4-65.10000111.3C746 V747 H749 S796C746-S799 VanDerWaalsContact CB-O 3.28Å; C746-S799 WeakPolarHBondContact CB-O 3.44Å; V747-S799 VanDerWaalsContact O-CB 3.29Å; V747-S799 WeakPolarHBondContact O-CB 3.46Å; V747-S799 PolarHBondContact O-OG 3.26Å; H749-S799 PolarHBondContact CE1-OG 3.27Å; H749-S799 VanDerWaalsContact CE1-OG 3.31Å; S796-S799 WeakPolarHBondContact O-CB 3.49Å; S796-S799 PolarHBondContact O-N 2.7Å; S796-S799 PolarHBondContact OG-N 3.2Å; S796-S799 PolarHBondContact OG-OG 3.3Å
800V98Very high96.4Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-68.4-48178.1-174.90000111.2P720 I783 T795 S796 I797 L798 T802 V803 A804 C810 L812 L822 L827P720-V800 HydrophobicContact CB-CG1 3.87Å; P720-V800 HydrophobicContact CG-CG1 3.49Å; P720-V800 VanDerWaalsContact CG-CG1 3.49Å; I783-V800 HydrophobicContact CD1-CG2 3.82Å; I783-V800 HydrophobicContact CG1-CG2 4.49Å; T795-V800 HydrophobicContact CG2-CG2 3.76Å; S796-V800 PolarHBondContact O-N 3.44Å; I797-V800 PolarHBondContact O-N 2.99Å; L798-V800 VanDerWaalsContact C-N 3.33Å; L798-V800 PolarHBondContact O-N 3.38Å; V800-T802 VanDerWaalsContact C-N 3.28Å; V800-T802 PolarHBondContact O-N 2.85Å; V800-V803 PolarHBondContact O-N 2.83Å; V800-V803 VanDerWaalsContact O-N 3.07Å; V800-A804 PolarHBondContact O-N 2.95Å; V800-C810 HydrophobicContact CG1-CB 4.03Å; V800-L812 HydrophobicContact CG1-CD1 4.12Å; V800-L812 HydrophobicContact CG1-CD2 4.48Å; V800-L812 HydrophobicContact CG2-CD1 4.26Å; V800-L812 HydrophobicContact CG2-CD2 3.8Å; V800-L822 HydrophobicContact CG1-CD2 4.11Å; V800-L827 HydrophobicContact CG1-CD1 4.43Å
801R97.2Very high96.7Very high68 Ų6841.7 Ų41.726%0.25721%0.209SC..Hα-helixtrans-54.8-43.3178.3-179.9167.9-72.9-78.70.1112I797 L798 V803 A804 E805 A825 L827I797-R801 VanDerWaalsContact O-CB 3.25Å; I797-R801 WeakPolarHBondContact O-CB 3.5Å; I797-R801 PolarHBondContact O-N 2.88Å; L798-R801 PolarHBondContact O-N 2.93Å; R801-V803 PolarHBondContact O-N 3.02Å; R801-A804 PolarHBondContact O-N 2.85Å; R801-E805 WeakPolarHBondContact CD-OE1 3.22Å; R801-E805 HydrophobicContact CG-CG 4.13Å; R801-E805 WeakPolarHBondContact CG-OE1 3.49Å; R801-E805 WeakPolarHBondContact CG-OE2 3.32Å; R801-E805 IonicContact CZ-OE1 3.14Å; R801-E805 IonicContact NE-OE1 2.75Å; R801-E805 IonicContact NH1-OE1 2.69Å; R801-E805 PolarHBondContact NH1-OE1 2.84Å; R801-E805 WeakPolarHBondContact O-CB 3.45Å; R801-E805 WeakPolarHBondContact O-CG 3.39Å; R801-E805 PolarHBondContact O-N 2.82Å; R801-A825 PolarHBondContact NH2-O 3.39Å; R801-L827 HydrophobicContact CB-CD1 4.21Å
802T96.4Very high96.9Very high49 Ų4940 Ų4030%0.30120%0.2SC..Hα-helixtrans-61.9-28.6179.2-58.10000113.1L798 V800 R806L798-T802 WeakPolarHBondContact O-CB 3.42Å; L798-T802 PolarHBondContact O-N 2.87Å; L798-T802 PolarHBondContact O-OG1 2.94Å; V800-T802 VanDerWaalsContact C-N 3.28Å; V800-T802 PolarHBondContact O-N 2.85Å; T802-R806 WeakPolarHBondContact O-CD 3.46Å; T802-R806 WeakPolarHBondContact O-CG 3.45Å
803V97.3Very high96.8Very high16 Ų1644.5 Ų44.510%0.09722%0.224CC..Hα-helixtrans-82.2-43.7174.7179.50000110.7C746 V800 R801 E805 R806 K808 C810C746-V803 HydrophobicContact CB-CG2 3.88Å; V800-V803 PolarHBondContact O-N 2.83Å; V800-V803 VanDerWaalsContact O-N 3.07Å; R801-V803 PolarHBondContact O-N 3.02Å; V803-E805 PolarHBondContact O-N 2.86Å; V803-R806 PolarHBondContact O-N 3.49Å; V803-R806 VanDerWaalsContact O-N 3.15Å; V803-K808 HydrophobicContact CG1-CB 3.92Å; V803-K808 PolarHBondContact O-N 2.84Å; V803-C810 HydrophobicContact CB-CB 3.89Å; V803-C810 HydrophobicContact CG1-CB 3.78Å
804A96.9Very high96.7Very high1 Ų142.5 Ų42.51%0.00822%0.217CC..Hα-helixtrans-59.7-42.2178.200000113.2Y717 T718 V800 R801 R806 G807 K808Y717-A804 HydrophobicContact CD2-CB 4.27Å; T718-A804 PolarHBondContact N-O 3.09Å; T718-A804 WeakPolarHBondContact O-CA 3.39Å; T718-A804 WeakPolarHBondContact O-CB 3.39Å; V800-A804 PolarHBondContact O-N 2.95Å; R801-A804 PolarHBondContact O-N 2.85Å; A804-R806 VanDerWaalsContact C-N 3.28Å; A804-R806 PolarHBondContact O-N 3.08Å; A804-G807 PolarHBondContact O-N 2.84Å; A804-K808 WeakPolarHBondContact CA-O 3.24Å
805E96.1Very high96.6Very high111 Ų11144.1 Ų44.152%0.51923%0.227SC..THydrogen-bonded Turntrans-77.6-11.5178.9-69.4169.8178.700112.9R801 V803 G807R801-E805 WeakPolarHBondContact CD-OE1 3.22Å; R801-E805 HydrophobicContact CG-CG 4.13Å; R801-E805 WeakPolarHBondContact CG-OE1 3.49Å; R801-E805 WeakPolarHBondContact CG-OE2 3.32Å; R801-E805 IonicContact CZ-OE1 3.14Å; R801-E805 IonicContact NE-OE1 2.75Å; R801-E805 IonicContact NH1-OE1 2.69Å; R801-E805 PolarHBondContact NH1-OE1 2.84Å; R801-E805 WeakPolarHBondContact O-CB 3.45Å; R801-E805 WeakPolarHBondContact O-CG 3.39Å; R801-E805 PolarHBondContact O-N 2.82Å; V803-E805 PolarHBondContact O-N 2.86Å; E805-G807 VanDerWaalsContact C-N 3.26Å
806R96Very high96.4Very high193 Ų19343.1 Ų43.173%0.72822%0.221SC*.THydrogen-bonded Turntrans-8712.1168.9-73.2172.8-174.6-178.21.6113.2T802 V803 A804T802-R806 WeakPolarHBondContact O-CD 3.46Å; T802-R806 WeakPolarHBondContact O-CG 3.45Å; V803-R806 PolarHBondContact O-N 3.49Å; V803-R806 VanDerWaalsContact O-N 3.15Å; A804-R806 VanDerWaalsContact C-N 3.28Å; A804-R806 PolarHBondContact O-N 3.08Å
807G95.9Very high96.3Very high46 Ų4647.3 Ų47.347%0.47424%0.242SC..THydrogen-bonded Turntrans75.621.7178.600000114.4T718 A804 E805T718-G807 VanDerWaalsContact OG1-CA 3.26Å; T718-G807 WeakPolarHBondContact OG1-CA 3.4Å; T718-G807 PolarHBondContact OG1-O 2.8Å; A804-G807 PolarHBondContact O-N 2.84Å; E805-G807 VanDerWaalsContact C-N 3.26Å
808K97.7Very high96.2Very high70 Ų7045.6 Ų45.630%0.30423%0.234SC..  trans-122.3143.2-178-65.9-163.3-179.6-170.10113.2P740 H741 K742 V803 A804 C810P740-K808 PolarHBondContact O-NZ 3Å; H741-K808 VanDerWaalsContact O-CE 3.31Å; H741-K808 WeakPolarHBondContact O-CE 3.17Å; K742-K808 CarbonylContact O-C 3.59Å; K742-K808 WeakPolarHBondContact O-CA 3.38Å; V803-K808 HydrophobicContact CG1-CB 3.92Å; V803-K808 PolarHBondContact O-N 2.84Å; A804-K808 WeakPolarHBondContact CA-O 3.24Å; K808-C810 PolarHBondContact O-N 3.14Å
809H98.3Very high96.1Very high15 Ų1540 Ų407%0.06921%0.205CC..EExtended strand (participates in β ladder)trans-68.3111168.3-69.2-75.3000109.3T718 R719 V721 K742 F743 G744 I811 S896T718-H809 HydrophobicContact CG2-CB 4.34Å; T718-H809 VanDerWaalsContact CG2-CE1 3.45Å; T718-H809 WeakPolarHBondContact CG2-CE1 3.27Å; T718-H809 WeakPolarHBondContact CG2-NE2 3.33Å; R719-H809 PolarHBondContact O-ND1 3.41Å; V721-H809 HydrophobicContact CG2-CB 3.97Å; K742-H809 PolarHBondContact O-N 3.31Å; F743-H809 WeakPolarHBondContact CA-O 3.38Å; F743-H809 HydrophobicContact CD1-CB 3.43Å; F743-H809 VanDerWaalsContact CD1-CB 3.43Å; F743-H809 HydrophobicContact CE1-CB 3.63Å; F743-H809 AromaticContact CE1-CG 3.96Å; F743-H809 HydrophobicContact CG-CB 4.5Å; G744-H809 PolarHBondContact N-O 2.87Å; G744-H809 VanDerWaalsContact N-O 3.09Å; H809-I811 PolarHBondContact O-N 2.87Å; H809-S896 PolarHBondContact CE1-OG 3.44Å; H809-S896 PolarHBondContact NE2-OG 2.78Å; H809-S896 VanDerWaalsContact NE2-OG 3.09Å
810C98.2Very high96Very high0 Ų043 Ų430%022%0.216CC..EExtended strand (participates in β ladder)trans-72.1106.8173.1-168.10000109.3P720 V721 G744 C746 V800 V803 K808P720-C810 CarbonylContact C-O 3.43Å; P720-C810 WeakPolarHBondContact CA-O 3.12Å; P720-C810 HydrophobicContact CB-CB 4.21Å; V721-C810 PolarHBondContact N-O 3.37Å; G744-C810 CarbonylContact O-C 3.59Å; G744-C810 WeakPolarHBondContact O-CA 3.32Å; C746-C810 VanDerWaalsContact CB-SG 3.55Å; V800-C810 HydrophobicContact CG1-CB 4.03Å; V803-C810 HydrophobicContact CB-CB 3.89Å; V803-C810 HydrophobicContact CG1-CB 3.78Å; K808-C810 PolarHBondContact O-N 3.14Å
811I98.1Very high95.9Very high9 Ų946.5 Ų46.55%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-73131.8170.4-59.1-55.5000108.1V721 N732 L735 I736 F743 G744 H809V721-I811 HydrophobicContact CB-CD1 3.87Å; V721-I811 HydrophobicContact CG1-CD1 4.24Å; V721-I811 HydrophobicContact CG2-CD1 4.37Å; N732-I811 HydrophobicContact CB-CG2 3.77Å; L735-I811 HydrophobicContact CD1-CD1 4.08Å; I736-I811 HydrophobicContact CD1-CB 4.03Å; I736-I811 HydrophobicContact CD1-CG1 4.14Å; I736-I811 HydrophobicContact CD1-CG2 4.11Å; I736-I811 HydrophobicContact CG1-CB 4.29Å; I736-I811 HydrophobicContact CG1-CG1 3.84Å; F743-I811 HydrophobicContact CB-CG1 4.12Å; F743-I811 HydrophobicContact CD1-CD1 3.44Å; F743-I811 VanDerWaalsContact CD1-CD1 3.44Å; F743-I811 HydrophobicContact CD1-CG1 3.95Å; F743-I811 HydrophobicContact CE1-CD1 4Å; F743-I811 HydrophobicContact CG-CD1 4.23Å; F743-I811 HydrophobicContact CG-CG1 4.34Å; G744-I811 PolarHBondContact O-N 3.31Å; H809-I811 PolarHBondContact O-N 2.87Å
812L97.2Very high95.8Very high4 Ų443.3 Ų43.32%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-126.9116.2-175.4-64.9176000111.4P720 V721 I722 C746 I783 T795 V800 V814 L822P720-L812 HydrophobicContact CB-CD1 3.92Å; V721-L812 PolarHBondContact O-N 3.48Å; I722-L812 HydrophobicContact CD1-CD1 4.26Å; I722-L812 HydrophobicContact CG1-CB 3.9Å; I722-L812 HydrophobicContact CG1-CD1 3.97Å; C746-L812 VanDerWaalsContact SG-CD2 3.55Å; I783-L812 HydrophobicContact CD1-CD1 3.92Å; I783-L812 HydrophobicContact CD1-CD2 4.35Å; T795-L812 HydrophobicContact CG2-CD2 4.32Å; V800-L812 HydrophobicContact CG1-CD1 4.12Å; V800-L812 HydrophobicContact CG1-CD2 4.48Å; V800-L812 HydrophobicContact CG2-CD1 4.26Å; V800-L812 HydrophobicContact CG2-CD2 3.8Å; L812-V814 HydrophobicContact CB-CG1 4.48Å; L812-V814 HydrophobicContact CB-CG2 3.9Å; L812-V814 PolarHBondContact O-N 3.13Å; L812-L822 HydrophobicContact CD1-CD1 3.71Å
813D93.5Very high95.7Very high106 Ų10643 Ų4357%0.56721%0.213SC*.  trans-88.894.8165.2-172.320.7000109.9K728K728-D813 IonicContact NZ-OD1 3.75Å; K728-D813 PolarHBondContact NZ-OD1 3.42Å; K728-D813 IonicContact NZ-OD2 3.65Å
814V93.9Very high95.5Very high9 Ų949.3 Ų49.36%0.05524%0.241CC..  trans-149.9162.7-173.6-68.60000111I722 I783 E784 L812 A818I722-V814 HydrophobicContact CD1-CG2 4.03Å; I722-V814 HydrophobicContact CG1-CG2 4.01Å; I722-V814 HydrophobicContact CG2-CG2 4.26Å; I783-V814 HydrophobicContact CD1-CG1 4.24Å; E784-V814 HydrophobicContact CB-CG1 4.2Å; E784-V814 VanDerWaalsContact OE1-CA 3.29Å; E784-V814 WeakPolarHBondContact OE1-CA 3.4Å; L812-V814 HydrophobicContact CB-CG1 4.48Å; L812-V814 HydrophobicContact CB-CG2 3.9Å; L812-V814 PolarHBondContact O-N 3.13Å; V814-A818 HydrophobicContact CB-CB 3.77Å; V814-A818 HydrophobicContact CG1-CB 4.4Å; V814-A818 HydrophobicContact CG2-CB 3.46Å; V814-A818 VanDerWaalsContact CG2-CB 3.46Å
815S92.9Very high95.4Very high42 Ų4250.3 Ų50.329%0.29425%0.249SC..  trans-73.7161.6171800000112.9E784 N817 A818E784-S815 PolarHBondContact OE1-N 3.01Å; E784-S815 WeakPolarHBondContact OE2-CB 3.41Å; E784-S815 PolarHBondContact OE2-N 3.25Å; E784-S815 PolarHBondContact OE2-OG 3.05Å; S815-N817 PolarHBondContact O-N 3.34Å; S815-N817 PolarHBondContact OG-ND2 2.74Å; S815-A818 VanDerWaalsContact O-CB 3.29Å; S815-A818 WeakPolarHBondContact O-CB 3.41Å; S815-A818 PolarHBondContact O-N 3.16Å
816G92Very high95.4Very high0 Ų049.4 Ų49.40%025%0.245CC..THydrogen-bonded Turntrans-57.2-17.7177.900000115.2A818 I819 F868G816-A818 PolarHBondContact O-N 3.24Å; G816-I819 WeakPolarHBondContact O-CB 3.34Å; G816-I819 WeakPolarHBondContact O-CG1 3.31Å; G816-I819 PolarHBondContact O-N 3.23Å; G816-F868 WeakPolarHBondContact O-CE1 3.38Å
817N94.3Very high95.4Very high93 Ų9340.2 Ų40.250%0.49721%0.211SC..Hα-helixtrans-62.1-29.7173-60.8-69.4000112.5S815 I819 K820 R821S815-N817 PolarHBondContact O-N 3.34Å; S815-N817 PolarHBondContact OG-ND2 2.74Å; N817-I819 PolarHBondContact O-N 3.37Å; N817-K820 PolarHBondContact O-N 2.93Å; N817-R821 PolarHBondContact O-N 2.83Å
818A95.4Very high95.4Very high0 Ų039.4 Ų39.40%019%0.193CC..Hα-helixtrans-63.5-27.5177.400000112.7I722 I783 V814 S815 G816 K820 R821 L822I722-A818 HydrophobicContact CD1-CB 4.41Å; I783-A818 HydrophobicContact CB-CB 4.42Å; I783-A818 HydrophobicContact CD1-CB 4.26Å; V814-A818 HydrophobicContact CB-CB 3.77Å; V814-A818 HydrophobicContact CG1-CB 4.4Å; V814-A818 HydrophobicContact CG2-CB 3.46Å; V814-A818 VanDerWaalsContact CG2-CB 3.46Å; S815-A818 VanDerWaalsContact O-CB 3.29Å; S815-A818 WeakPolarHBondContact O-CB 3.41Å; S815-A818 PolarHBondContact O-N 3.16Å; G816-A818 PolarHBondContact O-N 3.24Å; A818-K820 PolarHBondContact O-N 3.49Å; A818-R821 PolarHBondContact O-N 3.48Å; A818-L822 WeakPolarHBondContact O-CB 3.39Å; A818-L822 WeakPolarHBondContact O-CG 3.2Å; A818-L822 PolarHBondContact O-N 2.97Å
819I96.3Very high95.4Very high1 Ų136.4 Ų36.41%0.00518%0.181CC..Hα-helixtrans-58.8-49.1175.5-57.1163000109.8I722 L724 G816 N817 R821 L822 Q823 P829 A831 F871 F872I722-I819 HydrophobicContact CD1-CG1 3.85Å; L724-I819 HydrophobicContact CD1-CD1 4.06Å; G816-I819 WeakPolarHBondContact O-CB 3.34Å; G816-I819 WeakPolarHBondContact O-CG1 3.31Å; G816-I819 PolarHBondContact O-N 3.23Å; N817-I819 PolarHBondContact O-N 3.37Å; I819-R821 PolarHBondContact O-N 3.43Å; I819-L822 PolarHBondContact O-N 2.87Å; I819-Q823 WeakPolarHBondContact O-CG 3.42Å; I819-Q823 PolarHBondContact O-N 2.83Å; I819-P829 HydrophobicContact CG2-CG 3.97Å; I819-A831 HydrophobicContact CD1-CB 3.82Å; I819-A831 HydrophobicContact CG1-CB 4.1Å; I819-A831 HydrophobicContact CG2-CB 4.47Å; I819-F871 HydrophobicContact CD1-CB 4.26Å; I819-F871 HydrophobicContact CG2-CB 3.98Å; I819-F872 HydrophobicContact CD1-CD1 4.39Å; I819-F872 HydrophobicContact CD1-CE1 4.48Å
820K94.1Very high95.4Very high69 Ų6935.7 Ų35.730%0.318%0.178SC..Hα-helixtrans-65.9-40.4-178.8-45.9-165.9-166.5-161.30111.3N817 A818 Q824 F871N817-K820 PolarHBondContact O-N 2.93Å; A818-K820 PolarHBondContact O-N 3.49Å; K820-Q824 VanDerWaalsContact O-CG 3.27Å; K820-Q824 WeakPolarHBondContact O-CG 3.39Å; K820-Q824 PolarHBondContact O-N 2.83Å; K820-Q824 VanDerWaalsContact O-N 3.07Å; K820-F871 HydrophobicContact CD-CD1 4.44Å; K820-F871 HydrophobicContact CD-CE1 3.89Å; K820-F871 HydrophobicContact CD-CE2 4.07Å; K820-F871 HydrophobicContact CD-CZ 3.72Å; K820-F871 HydrophobicContact CG-CD1 4.06Å; K820-F871 HydrophobicContact CG-CE1 3.92Å; K820-F871 HydrophobicContact CG-CG 4.49Å; K820-F871 HydrophobicContact CG-CZ 4.24Å
821R95.3Very high95.4Very high75 Ų7535.7 Ų35.728%0.28318%0.178SC..Hα-helixtrans-62.2-40.7174.3-76.7-90.7-176.6151.2-15.7112.7N780 F782 I783 N817 A818 I819 A825N780-R821 VanDerWaalsContact OD1-CZ 3.31Å; N780-R821 PolarHBondContact OD1-NH1 2.81Å; N780-R821 PolarHBondContact OD1-NH2 3.49Å; N780-R821 VanDerWaalsContact OD1-NH2 3.12Å; F782-R821 PolarHBondContact O-NH1 2.83Å; I783-R821 HydrophobicContact CB-CB 4.2Å; I783-R821 HydrophobicContact CG2-CB 4.36Å; I783-R821 WeakPolarHBondContact O-CG 3.48Å; N817-R821 PolarHBondContact O-N 2.83Å; A818-R821 PolarHBondContact O-N 3.48Å; I819-R821 PolarHBondContact O-N 3.43Å; R821-A825 WeakPolarHBondContact O-CB 3.39Å; R821-A825 PolarHBondContact O-N 2.87Å; R821-A825 VanDerWaalsContact O-N 3.12Å
822L96.6Very high95.4Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-69.9-43.3178.4-80.3165.2000112.1I722 I783 V800 L812 A818 I819 Q824 A825 Q826 L827 P829I722-L822 HydrophobicContact CD1-CD1 3.65Å; I783-L822 HydrophobicContact CB-CG 4.39Å; I783-L822 HydrophobicContact CD1-CD1 4.13Å; I783-L822 HydrophobicContact CD1-CD2 4.42Å; I783-L822 HydrophobicContact CD1-CG 4.3Å; I783-L822 HydrophobicContact CG2-CD2 3.75Å; I783-L822 HydrophobicContact CG2-CG 3.82Å; V800-L822 HydrophobicContact CG1-CD2 4.11Å; L812-L822 HydrophobicContact CD1-CD1 3.71Å; A818-L822 WeakPolarHBondContact O-CB 3.39Å; A818-L822 WeakPolarHBondContact O-CG 3.2Å; A818-L822 PolarHBondContact O-N 2.97Å; I819-L822 PolarHBondContact O-N 2.87Å; L822-Q824 VanDerWaalsContact C-N 3.34Å; L822-Q824 PolarHBondContact O-N 3.49Å; L822-A825 CarbonylContact O-C 3.53Å; L822-A825 WeakPolarHBondContact O-CA 3.43Å; L822-A825 WeakPolarHBondContact O-CB 3.48Å; L822-A825 PolarHBondContact O-N 2.92Å; L822-Q826 PolarHBondContact O-N 2.61Å; L822-L827 CarbonylContact C-O 3.57Å; L822-L827 WeakPolarHBondContact CB-O 3.16Å; L822-L827 HydrophobicContact CD2-CB 3.89Å; L822-L827 HydrophobicContact CD2-CD1 3.96Å; L822-L827 CarbonylContact O-C 3.48Å; L822-L827 PolarHBondContact O-N 3.47Å; L822-P829 HydrophobicContact CD1-CB 4.43Å; L822-P829 HydrophobicContact CD1-CG 4.47Å
823Q94.3Very high95.4Very high42 Ų4235 Ų3520%0.19618%0.175CC..Hα-helixtrans-58.1-44.4173.5-71.5169.7-25.800111.8I819 A825 Q826 Y828I819-Q823 WeakPolarHBondContact O-CG 3.42Å; I819-Q823 PolarHBondContact O-N 2.83Å; Q823-A825 PolarHBondContact O-N 2.89Å; Q823-Q826 PolarHBondContact O-N 3.28Å; Q823-Q826 VanDerWaalsContact O-N 3.08Å; Q823-Q826 PolarHBondContact O-NE2 2.82Å; Q823-Y828 HydrophobicContact CB-CD1 4.5Å; Q823-Y828 HydrophobicContact CB-CE1 4.33Å; Q823-Y828 HydrophobicContact CG-CD1 3.99Å; Q823-Y828 HydrophobicContact CG-CE1 4.22Å
824Q93.3Very high95.7Very high149 Ų14930.2 Ų30.270%0.69615%0.148SC*.Hα-helixtrans-59.6-34.1172.6-73.5169.9-9.300112.6K820 L822 Q826K820-Q824 VanDerWaalsContact O-CG 3.27Å; K820-Q824 WeakPolarHBondContact O-CG 3.39Å; K820-Q824 PolarHBondContact O-N 2.83Å; K820-Q824 VanDerWaalsContact O-N 3.07Å; L822-Q824 VanDerWaalsContact C-N 3.34Å; L822-Q824 PolarHBondContact O-N 3.49Å; Q824-Q826 VanDerWaalsContact C-N 3.26Å; Q824-Q826 PolarHBondContact O-N 2.77Å
825A94.9Very high95.8Very high22 Ų2232.9 Ų32.918%0.18216%0.159CC..THydrogen-bonded Turntrans-82.78.7176.400000114.7I797 R801 R821 L822 Q823 L827I797-A825 HydrophobicContact CD1-CB 3.76Å; I797-A825 HydrophobicContact CG1-CB 4.1Å; I797-A825 HydrophobicContact CG2-CB 3.82Å; R801-A825 PolarHBondContact NH2-O 3.39Å; R821-A825 WeakPolarHBondContact O-CB 3.39Å; R821-A825 PolarHBondContact O-N 2.87Å; R821-A825 VanDerWaalsContact O-N 3.12Å; L822-A825 CarbonylContact O-C 3.53Å; L822-A825 WeakPolarHBondContact O-CA 3.43Å; L822-A825 WeakPolarHBondContact O-CB 3.48Å; L822-A825 PolarHBondContact O-N 2.92Å; Q823-A825 PolarHBondContact O-N 2.89Å; A825-L827 PolarHBondContact O-N 3.4Å
826Q95.1Very high95.8Very high93 Ų9331.4 Ų31.444%0.43515%0.149SC..THydrogen-bonded Turntrans5728-175.3-62.8-69.8-83.400114.4Y717 L822 Q823 Q824 Y828Y717-Q826 PolarHBondContact OH-O 2.88Å; L822-Q826 PolarHBondContact O-N 2.61Å; Q823-Q826 PolarHBondContact O-N 3.28Å; Q823-Q826 VanDerWaalsContact O-N 3.08Å; Q823-Q826 PolarHBondContact O-NE2 2.82Å; Q824-Q826 VanDerWaalsContact C-N 3.26Å; Q824-Q826 PolarHBondContact O-N 2.77Å; Q826-Y828 PolarHBondContact NE2-OH 3.24Å
827L95.9Very high95.9Very high0 Ų035.7 Ų35.70%017%0.168CC..  trans-109.9100.6169.8-67.3174.9000107.6Y717 I797 V800 R801 L822 A825 P829Y717-L827 HydrophobicContact CD1-CD2 4.39Å; Y717-L827 HydrophobicContact CD2-CD2 4.07Å; Y717-L827 HydrophobicContact CE1-CD2 4.26Å; Y717-L827 HydrophobicContact CE2-CD2 3.95Å; Y717-L827 HydrophobicContact CG-CD2 4.31Å; Y717-L827 WeakPolarHBondContact OH-CA 3.3Å; I797-L827 HydrophobicContact CG2-CD1 4.15Å; V800-L827 HydrophobicContact CG1-CD1 4.43Å; R801-L827 HydrophobicContact CB-CD1 4.21Å; L822-L827 CarbonylContact C-O 3.57Å; L822-L827 WeakPolarHBondContact CB-O 3.16Å; L822-L827 HydrophobicContact CD2-CB 3.89Å; L822-L827 HydrophobicContact CD2-CD1 3.96Å; L822-L827 CarbonylContact O-C 3.48Å; L822-L827 PolarHBondContact O-N 3.47Å; A825-L827 PolarHBondContact O-N 3.4Å; L827-P829 WeakPolarHBondContact O-CD 3.47Å
828Y96.3Very high95.9Very high28 Ų2832.9 Ų32.911%0.1116%0.155CC..  trans-88.7104.3-174.8-69.7-85000110.7Y717 R719 Q823 Q826 I900 I902Y717-Y828 PolarHBondContact OH-N 3.18Å; R719-Y828 PolarHBondContact NE-O 2.98Å; R719-Y828 VanDerWaalsContact NE-O 3.09Å; Q823-Y828 HydrophobicContact CB-CD1 4.5Å; Q823-Y828 HydrophobicContact CB-CE1 4.33Å; Q823-Y828 HydrophobicContact CG-CD1 3.99Å; Q823-Y828 HydrophobicContact CG-CE1 4.22Å; Q826-Y828 PolarHBondContact NE2-OH 3.24Å; Y828-I900 HydrophobicContact CD2-CD1 3.81Å; Y828-I900 HydrophobicContact CG-CD1 3.91Å; Y828-I902 HydrophobicContact CD1-CB 4.27Å; Y828-I902 HydrophobicContact CD1-CG2 3.61Å; Y828-I902 HydrophobicContact CD2-CG2 3.79Å; Y828-I902 HydrophobicContact CE1-CB 3.88Å; Y828-I902 HydrophobicContact CE1-CG2 3.62Å; Y828-I902 HydrophobicContact CE2-CG2 3.81Å; Y828-I902 HydrophobicContact CG-CG2 3.69Å
829P97.6Very high95.8Very high7 Ų733.4 Ų33.45%0.04516%0.159CC..  trans-71165.6-175.232.4-36.7000111.9R719 P720 I722 I819 L822 L827R719-P829 PolarHBondContact NH2-O 2.75Å; P720-P829 HydrophobicContact CB-CB 4.43Å; P720-P829 CarbonylContact O-C 3.55Å; P720-P829 WeakPolarHBondContact O-CA 3.16Å; I722-P829 HydrophobicContact CD1-CB 4.17Å; I722-P829 HydrophobicContact CD1-CG 4.33Å; I819-P829 HydrophobicContact CG2-CG 3.97Å; L822-P829 HydrophobicContact CD1-CB 4.43Å; L822-P829 HydrophobicContact CD1-CG 4.47Å; L827-P829 WeakPolarHBondContact O-CD 3.47Å
830I98.1Very high95.6Very high0 Ų038.3 Ų38.30%018%0.182CC..EExtended strand (participates in β ladder)trans-91.8102.1157.7-52.3169.9000105.3R719 P720 V721 I722 I832 T873 I891 I892 Q895R719-I830 HydrophobicContact CB-CD1 4.07Å; R719-I830 HydrophobicContact CB-CG1 3.88Å; P720-I830 PolarHBondContact O-N 3.14Å; V721-I830 WeakPolarHBondContact CA-O 3.23Å; V721-I830 HydrophobicContact CG2-CB 4.32Å; V721-I830 HydrophobicContact CG2-CD1 4.26Å; I722-I830 PolarHBondContact N-O 3.47Å; I830-I832 HydrophobicContact CG2-CD1 4Å; I830-I832 HydrophobicContact CG2-CG1 3.94Å; I830-T873 HydrophobicContact CG2-CG2 4.39Å; I830-I891 HydrophobicContact CG2-CG2 4.46Å; I830-I892 HydrophobicContact CD1-CG2 4.22Å; I830-Q895 HydrophobicContact CD1-CB 3.73Å; I830-Q895 HydrophobicContact CG1-CB 3.89Å; I830-Q895 HydrophobicContact CG2-CB 4.06Å; I830-Q895 HydrophobicContact CG2-CG 4.36Å
831A98Very high95.5Very high0 Ų035.8 Ų35.80%017%0.173CC..EExtended strand (participates in β ladder)trans-99.4112.2-177.500000109.4I722 I819 T873 A874I722-A831 WeakPolarHBondContact O-CA 3.25Å; I819-A831 HydrophobicContact CD1-CB 3.82Å; I819-A831 HydrophobicContact CG1-CB 4.1Å; I819-A831 HydrophobicContact CG2-CB 4.47Å; A831-T873 PolarHBondContact N-OG1 3.2Å; A831-T873 WeakPolarHBondContact O-CB 3.44Å; A831-T873 PolarHBondContact O-N 2.68Å; A831-A874 PolarHBondContact O-N 2.99Å
832I98.4Very high95.3Very high0 Ų032.5 Ų32.50%016%0.161CC..EExtended strand (participates in β ladder)trans-116.4127.3-174.5-50.4175.1000109.6I722 I723 L724 I830 V876 I888 I891 I892I722-I832 PolarHBondContact O-N 2.97Å; I723-I832 WeakPolarHBondContact CA-O 3.35Å; L724-I832 PolarHBondContact N-O 2.95Å; I830-I832 HydrophobicContact CG2-CD1 4Å; I830-I832 HydrophobicContact CG2-CG1 3.94Å; I832-V876 HydrophobicContact CG2-CB 4.31Å; I832-V876 HydrophobicContact CG2-CG2 3.53Å; I832-I888 HydrophobicContact CD1-CG2 4.13Å; I832-I888 HydrophobicContact CG2-CG1 4.16Å; I832-I891 HydrophobicContact CD1-CB 4.3Å; I832-I891 HydrophobicContact CD1-CG2 3.73Å; I832-I891 HydrophobicContact CG1-CG2 4.12Å; I832-I892 HydrophobicContact CD1-CD1 4.41Å; I832-I892 HydrophobicContact CD1-CG1 3.85Å
833F98.3Very high95Very high0 Ų035.4 Ų35.40%018%0.176CC..EExtended strand (participates in β ladder)trans-107.1119.9177.4175-116.8000111.5L724 K835 A861 L864 E865 F872 A874 I875 V876L724-F833 HydrophobicContact CB-CD2 4.21Å; F833-K835 HydrophobicContact CD1-CB 4.03Å; F833-K835 HydrophobicContact CE1-CB 3.69Å; F833-K835 HydrophobicContact CE1-CD 4.45Å; F833-K835 HydrophobicContact CE1-CG 4.03Å; F833-K835 PolarHBondContact O-N 2.88Å; F833-A861 HydrophobicContact CE2-CB 4.34Å; F833-A861 HydrophobicContact CZ-CB 4.07Å; F833-A861 VanDerWaalsContact CZ-O 3.26Å; F833-A861 WeakPolarHBondContact CZ-O 3.37Å; F833-L864 HydrophobicContact CE2-CB 4.01Å; F833-E865 HydrophobicContact CD1-CG 4.46Å; F833-E865 HydrophobicContact CE1-CB 3.74Å; F833-E865 HydrophobicContact CE1-CG 3.94Å; F833-E865 HydrophobicContact CZ-CB 3.99Å; F833-F872 HydrophobicContact CB-CD1 4.07Å; F833-F872 HydrophobicContact CB-CD2 3.47Å; F833-F872 VanDerWaalsContact CB-CD2 3.47Å; F833-F872 HydrophobicContact CB-CE1 4.07Å; F833-F872 HydrophobicContact CB-CE2 3.44Å; F833-F872 VanDerWaalsContact CB-CE2 3.44Å; F833-F872 HydrophobicContact CB-CG 3.8Å; F833-F872 HydrophobicContact CB-CZ 3.76Å; F833-F872 HydrophobicContact CD1-CD2 4.2Å; F833-F872 AromaticContact CD1-CE2 3.72Å; F833-F872 HydrophobicContact CD1-CE2 3.72Å; F833-F872 HydrophobicContact CD1-CZ 4.42Å; F833-F872 HydrophobicContact CD2-CE2 4.15Å; F833-F872 HydrophobicContact CD2-CZ 4.04Å; F833-F872 HydrophobicContact CG-CD2 4.01Å; F833-F872 AromaticContact CG-CE2 3.5Å; F833-F872 HydrophobicContact CG-CE2 3.5Å; F833-F872 VanDerWaalsContact CG-CE2 3.5Å; F833-F872 AromaticContact CG-CZ 3.82Å; F833-F872 HydrophobicContact CG-CZ 3.82Å; F833-A874 PolarHBondContact N-O 2.83Å; F833-I875 HydrophobicContact CD1-CG1 4.3Å; F833-I875 HydrophobicContact CD1-CG2 4.16Å; F833-I875 CarbonylContact O-C 3.52Å; F833-I875 WeakPolarHBondContact O-CA 3.47Å; F833-V876 PolarHBondContact O-N 3.16Å
834I97.9Very high94.7Very high4 Ų439.8 Ų39.82%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-81.3107.9173.3-58.7171.7000108I723 L724 P726 V731 P836 V876 I884 I888I723-I834 HydrophobicContact CG2-CD1 3.7Å; I723-I834 HydrophobicContact CG2-CG1 4.15Å; L724-I834 PolarHBondContact O-N 3.03Å; P726-I834 WeakPolarHBondContact CD-O 3.24Å; P726-I834 VanDerWaalsContact O-CD1 3.25Å; P726-I834 WeakPolarHBondContact O-CD1 3.45Å; V731-I834 HydrophobicContact CG2-CD1 4.33Å; I834-P836 WeakPolarHBondContact O-CD 3.41Å; I834-V876 CarbonylContact C-O 3.59Å; I834-V876 WeakPolarHBondContact CA-O 3.05Å; I834-I884 HydrophobicContact CD1-CG2 4.03Å; I834-I884 HydrophobicContact CG1-CG2 4.11Å; I834-I884 HydrophobicContact CG2-CD1 4.21Å; I834-I884 HydrophobicContact CG2-CG2 4.12Å; I834-I888 HydrophobicContact CD1-CD1 3.85Å; I834-I888 HydrophobicContact CG1-CD1 3.96Å
835K96.3Very high94.2Very high65 Ų6534.8 Ų34.828%0.28317%0.173SC..  trans-96.4109.7-176.8-177.3171.3178.7169.50111F833 E865 I875 V876 Q877F833-K835 HydrophobicContact CD1-CB 4.03Å; F833-K835 HydrophobicContact CE1-CB 3.69Å; F833-K835 HydrophobicContact CE1-CD 4.45Å; F833-K835 HydrophobicContact CE1-CG 4.03Å; F833-K835 PolarHBondContact O-N 2.88Å; K835-E865 WeakPolarHBondContact CD-OE2 3.33Å; K835-E865 WeakPolarHBondContact CE-OE1 3.49Å; K835-E865 WeakPolarHBondContact CE-OE2 3.08Å; K835-E865 IonicContact NZ-OE1 2.88Å; K835-E865 PolarHBondContact NZ-OE1 2.83Å; K835-E865 IonicContact NZ-OE2 3.72Å; K835-E865 PolarHBondContact NZ-OE2 2.93Å; K835-I875 HydrophobicContact CB-CG2 3.6Å; K835-I875 HydrophobicContact CD-CG2 3.73Å; K835-I875 HydrophobicContact CG-CG2 4.33Å; K835-V876 PolarHBondContact N-O 3.1Å; K835-Q877 WeakPolarHBondContact O-CG 3.2Å; K835-Q877 PolarHBondContact O-NE2 3.47Å
836P94.4Very high93.8Very high12 Ų1235.7 Ų35.78%0.07818%0.175CC..  trans-65.2142177.628.2-34000111.3P726 I834 L842 F858 A861P726-P836 HydrophobicContact CG-CB 4.33Å; P726-P836 HydrophobicContact CG-CG 4.2Å; I834-P836 WeakPolarHBondContact O-CD 3.41Å; P836-L842 HydrophobicContact CB-CD1 3.73Å; P836-L842 HydrophobicContact CB-CD2 4.06Å; P836-L842 HydrophobicContact CB-CG 3.77Å; P836-L842 HydrophobicContact CG-CD1 4.2Å; P836-F858 HydrophobicContact CB-CD2 3.96Å; P836-F858 HydrophobicContact CB-CE2 4.3Å; P836-F858 HydrophobicContact CG-CD2 3.62Å; P836-F858 HydrophobicContact CG-CE2 3.98Å; P836-A861 HydrophobicContact CG-CB 3.71Å
837K93.1Very high93.2Very high89 Ų8939.1 Ų39.139%0.38719%0.189SC..SBendtrans-69.3-45.3174.6-64.1-169.5-178.9-174.90111.9A841 Q877 D879K837-A841 HydrophobicContact CB-CB 4.03Å; K837-Q877 HydrophobicContact CD-CG 4.32Å; K837-Q877 HydrophobicContact CG-CG 3.59Å; K837-D879 VanDerWaalsContact CD-OD1 3.3Å; K837-D879 WeakPolarHBondContact CD-OD1 3.31Å; K837-D879 VanDerWaalsContact CE-OD1 3.24Å; K837-D879 WeakPolarHBondContact CE-OD1 3.33Å; K837-D879 IonicContact NZ-OD1 3.87Å; K837-D879 PolarHBondContact NZ-OD1 3.18Å; K837-D879 IonicContact NZ-OD2 3.78Å; K837-D879 PolarHBondContact NZ-OD2 2.97Å
838S94.3Very high92.7Very high35 Ų3550.4 Ų50.425%0.24523%0.231CC..  trans-159.6-178177.279.30000111E840 A841 L842S838-E840 VanDerWaalsContact C-N 3.33Å; S838-E840 WeakPolarHBondContact CB-OE2 3.11Å; S838-E840 PolarHBondContact OG-N 2.95Å; S838-E840 PolarHBondContact OG-OE2 3.35Å; S838-A841 PolarHBondContact OG-N 3.4Å; S838-L842 PolarHBondContact O-N 2.86Å
839V93.6Very high92.2Very high11 Ų1151 Ų517%0.06724%0.235CC..Hα-helixtrans-67.6-36.2172.6-179.30000111L842 M843 Y851 A854 N855 F858V839-L842 WeakPolarHBondContact O-CB 3.34Å; V839-L842 PolarHBondContact O-N 2.88Å; V839-M843 PolarHBondContact O-N 3.35Å; V839-M843 VanDerWaalsContact O-N 3.13Å; V839-Y851 HydrophobicContact CB-CE2 4.2Å; V839-Y851 HydrophobicContact CG1-CD2 3.85Å; V839-Y851 HydrophobicContact CG1-CE1 4.47Å; V839-Y851 HydrophobicContact CG1-CE2 3.57Å; V839-Y851 HydrophobicContact CG1-CG 4.4Å; V839-A854 HydrophobicContact CG1-CB 3.7Å; V839-N855 HydrophobicContact CG1-CB 4.29Å; V839-N855 HydrophobicContact CG2-CB 4.44Å; V839-F858 HydrophobicContact CG2-CB 3.89Å; V839-F858 HydrophobicContact CG2-CD1 4.17Å; V839-F858 HydrophobicContact CG2-CD2 4.38Å; V839-F858 HydrophobicContact CG2-CG 3.89Å
840E92Very high91.9Very high104 Ų10454.2 Ų54.249%0.48626%0.255SS..Hα-helixtrans-67.4-43.9-180-5866.6-142.300110.8S838 L842 M843 E844S838-E840 VanDerWaalsContact C-N 3.33Å; S838-E840 WeakPolarHBondContact CB-OE2 3.11Å; S838-E840 PolarHBondContact OG-N 2.95Å; S838-E840 PolarHBondContact OG-OE2 3.35Å; E840-L842 VanDerWaalsContact C-N 3.26Å; E840-L842 PolarHBondContact O-N 2.79Å; E840-M843 CarbonylContact O-C 3.56Å; E840-M843 WeakPolarHBondContact O-CB 3.26Å; E840-M843 PolarHBondContact O-N 2.79Å; E840-M843 VanDerWaalsContact O-N 3.08Å; E840-E844 PolarHBondContact O-N 2.84Å
841A91Very high91.7Very high15 Ų1560 Ų6012%0.12428%0.277CS..Hα-helixtrans-60.5-34.7175.200000112.4K837 S838 E844 M845K837-A841 HydrophobicContact CB-CB 4.03Å; S838-A841 PolarHBondContact OG-N 3.4Å; A841-E844 PolarHBondContact O-N 3.25Å; A841-M845 WeakPolarHBondContact O-CE 3.42Å; A841-M845 WeakPolarHBondContact O-CG 3.41Å; A841-M845 PolarHBondContact O-N 2.86Å
842L91.3Very high91.5Very high6 Ų666 Ų663%0.03131%0.305CS..Hα-helixtrans-66.5-40.6173-76.7167.1000112.5P726 P836 S838 V839 E840 E844 M845 N846 A854 I857 F858P726-L842 HydrophobicContact CB-CD2 3.48Å; P726-L842 VanDerWaalsContact CB-CD2 3.48Å; P726-L842 HydrophobicContact CG-CD2 3.66Å; P836-L842 HydrophobicContact CB-CD1 3.73Å; P836-L842 HydrophobicContact CB-CD2 4.06Å; P836-L842 HydrophobicContact CB-CG 3.77Å; P836-L842 HydrophobicContact CG-CD1 4.2Å; S838-L842 PolarHBondContact O-N 2.86Å; V839-L842 WeakPolarHBondContact O-CB 3.34Å; V839-L842 PolarHBondContact O-N 2.88Å; E840-L842 VanDerWaalsContact C-N 3.26Å; E840-L842 PolarHBondContact O-N 2.79Å; L842-E844 VanDerWaalsContact C-N 3.33Å; L842-M845 HydrophobicContact CD2-CE 4.15Å; L842-N846 PolarHBondContact O-N 3.32Å; L842-A854 HydrophobicContact CB-CB 4.1Å; L842-I857 HydrophobicContact CD1-CB 4.4Å; L842-I857 HydrophobicContact CD1-CG2 3.98Å; L842-I857 HydrophobicContact CD2-CG2 4.16Å; L842-F858 HydrophobicContact CD1-CB 3.94Å; L842-F858 HydrophobicContact CD1-CD2 4.22Å
843M90.1Very high91.2Very high62 Ų6270.4 Ų70.431%0.30533%0.326SS..Hα-helixtrans-68.1-32.7173.7-67-176.366.600112.4V839 E840 N846 K847 Y851 A854V839-M843 PolarHBondContact O-N 3.35Å; V839-M843 VanDerWaalsContact O-N 3.13Å; E840-M843 CarbonylContact O-C 3.56Å; E840-M843 WeakPolarHBondContact O-CB 3.26Å; E840-M843 PolarHBondContact O-N 2.79Å; E840-M843 VanDerWaalsContact O-N 3.08Å; M843-N846 CarbonylContact O-C 3.53Å; M843-N846 PolarHBondContact O-N 2.93Å; M843-K847 VanDerWaalsContact O-CA 3.22Å; M843-K847 WeakPolarHBondContact O-CA 3.37Å; M843-K847 WeakPolarHBondContact O-CG 3.34Å; M843-K847 PolarHBondContact O-N 2.87Å; M843-Y851 VanDerWaalsContact SD-CA 3.56Å; M843-Y851 HydrophobicContact SD-CD2 3.69Å; M843-Y851 HydrophobicContact SD-CG 4.21Å; M843-A854 HydrophobicContact CG-CB 3.55Å; M843-A854 HydrophobicContact SD-CB 4.44Å
844E87.9Confident91Very high133 Ų13370.4 Ų70.462%0.62133%0.326SS*.Hα-helixtrans-72.6-41178.1-173.4141.9-127.800112.1E840 A841 L842 N846 K847E840-E844 PolarHBondContact O-N 2.84Å; A841-E844 PolarHBondContact O-N 3.25Å; L842-E844 VanDerWaalsContact C-N 3.33Å; E844-N846 VanDerWaalsContact C-N 3.34Å; E844-K847 WeakPolarHBondContact O-CE 3.45Å; E844-K847 WeakPolarHBondContact O-CG 3.32Å
845M84.6Confident90.9Very high44 Ų4472.6 Ų72.622%0.21734%0.338CS..Hα-helixtrans-65.9-32.7170.5-74-173.9-78.300113A841 L842 I884A841-M845 WeakPolarHBondContact O-CE 3.42Å; A841-M845 WeakPolarHBondContact O-CG 3.41Å; A841-M845 PolarHBondContact O-N 2.86Å; L842-M845 HydrophobicContact CD2-CE 4.15Å; M845-I884 HydrophobicContact SD-CD1 3.7Å
846N86.1Confident90.8Very high42 Ų4274.5 Ų74.523%0.22535%0.346CS..THydrogen-bonded Turntrans-133.478.5177.9-167.1-12.1000112.6L842 M843 E844 R848 Q849L842-N846 PolarHBondContact O-N 3.32Å; M843-N846 CarbonylContact O-C 3.53Å; M843-N846 PolarHBondContact O-N 2.93Å; E844-N846 VanDerWaalsContact C-N 3.34Å; N846-R848 PolarHBondContact O-N 2.8Å; N846-R848 PolarHBondContact OD1-N 3.2Å; N846-Q849 HydrophobicContact CB-CG 4.22Å; N846-Q849 PolarHBondContact ND2-NE2 3.31Å; N846-Q849 PolarHBondContact O-N 2.94Å
847K82.5Confident90.9Very high165 Ų16576.1 Ų76.172%0.71735%0.353SS*.THydrogen-bonded Turntrans-61.91.6-176.8-58.2-179.7-178.6-179.50115.3M843 E844M843-K847 VanDerWaalsContact O-CA 3.22Å; M843-K847 WeakPolarHBondContact O-CA 3.37Å; M843-K847 WeakPolarHBondContact O-CG 3.34Å; M843-K847 PolarHBondContact O-N 2.87Å; E844-K847 WeakPolarHBondContact O-CE 3.45Å; E844-K847 WeakPolarHBondContact O-CG 3.32Å
848R85.8Confident91Very high237 Ų23774.4 Ų74.489%0.89435%0.346SS*.THydrogen-bonded Turntrans-96.2-12.5172.2-63.5-178.8178.3175.10113.3N846N846-R848 PolarHBondContact O-N 2.8Å; N846-R848 PolarHBondContact OD1-N 3.2Å
849Q84.2Confident91.1Very high39 Ų3976.7 Ų76.718%0.18236%0.355CS..SBendtrans-83.9145.5178.4-69.8-176-5.600111.9N846 Q853N846-Q849 HydrophobicContact CB-CG 4.22Å; N846-Q849 PolarHBondContact ND2-NE2 3.31Å; N846-Q849 PolarHBondContact O-N 2.94Å; Q849-Q853 HydrophobicContact CB-CB 4.34Å
850T92.3Very high91.2Very high76 Ų7683.1 Ų83.147%0.46638%0.383SS..  trans-81.9157.7171.7690000111.1E852 Q853 A854T850-E852 PolarHBondContact O-N 2.81Å; T850-Q853 WeakPolarHBondContact O-CA 3.49Å; T850-Q853 WeakPolarHBondContact O-CB 3.31Å; T850-Q853 PolarHBondContact O-N 3.4Å; T850-Q853 WeakPolarHBondContact OG1-CG 3.46Å; T850-Q853 PolarHBondContact OG1-N 3.11Å; T850-A854 PolarHBondContact O-N 3.15Å
851Y93.3Very high91.4Very high120 Ų12078.2 Ų78.247%0.47136%0.36SS..Hα-helixtrans-53.1-41.2176.2-174-87.5000112.3V839 M843 Q853 A854 N855V839-Y851 HydrophobicContact CB-CE2 4.2Å; V839-Y851 HydrophobicContact CG1-CD2 3.85Å; V839-Y851 HydrophobicContact CG1-CE1 4.47Å; V839-Y851 HydrophobicContact CG1-CE2 3.57Å; V839-Y851 HydrophobicContact CG1-CG 4.4Å; M843-Y851 VanDerWaalsContact SD-CA 3.56Å; M843-Y851 HydrophobicContact SD-CD2 3.69Å; M843-Y851 HydrophobicContact SD-CG 4.21Å; Y851-Q853 VanDerWaalsContact C-N 3.29Å; Y851-Q853 PolarHBondContact O-N 3.03Å; Y851-A854 PolarHBondContact O-N 3.12Å; Y851-N855 WeakPolarHBondContact O-CB 3.32Å; Y851-N855 PolarHBondContact O-N 3.41Å
852E93.4Very high91.6Very high127 Ų12780.8 Ų80.859%0.59337%0.374SS*.Hα-helixtrans-60.2-33.6174-82.8-162.8-134.400114.3T850 K856T850-E852 PolarHBondContact O-N 2.81Å; E852-K856 WeakPolarHBondContact O-CB 3.18Å; E852-K856 WeakPolarHBondContact O-CD 3.26Å; E852-K856 WeakPolarHBondContact O-CE 3.08Å; E852-K856 WeakPolarHBondContact O-CG 3.38Å; E852-K856 PolarHBondContact O-N 3.07Å; E852-K856 IonicContact OE2-NZ 3.98Å; E852-K856 PolarHBondContact OE2-NZ 2.93Å
853Q92.8Very high91.7Very high93 Ų9385.8 Ų85.844%0.43540%0.396SS..Hα-helixtrans-76.5-45.3177.7-69.8167.5-13.800110.2Q849 T850 Y851 N855 K856 I857Q849-Q853 HydrophobicContact CB-CB 4.34Å; T850-Q853 WeakPolarHBondContact O-CA 3.49Å; T850-Q853 WeakPolarHBondContact O-CB 3.31Å; T850-Q853 PolarHBondContact O-N 3.4Å; T850-Q853 WeakPolarHBondContact OG1-CG 3.46Å; T850-Q853 PolarHBondContact OG1-N 3.11Å; Y851-Q853 VanDerWaalsContact C-N 3.29Å; Y851-Q853 PolarHBondContact O-N 3.03Å; Q853-N855 PolarHBondContact O-N 2.98Å; Q853-K856 PolarHBondContact O-N 3.36Å; Q853-I857 WeakPolarHBondContact O-CG1 3.34Å; Q853-I857 PolarHBondContact O-N 2.83Å
854A93.8Very high91.9Very high0 Ų084.9 Ų84.90%039%0.392CS..Hα-helixtrans-60.3-43176.100000111.8V839 L842 M843 T850 Y851 I857 F858V839-A854 HydrophobicContact CG1-CB 3.7Å; L842-A854 HydrophobicContact CB-CB 4.1Å; M843-A854 HydrophobicContact CG-CB 3.55Å; M843-A854 HydrophobicContact SD-CB 4.44Å; T850-A854 PolarHBondContact O-N 3.15Å; Y851-A854 PolarHBondContact O-N 3.12Å; A854-I857 WeakPolarHBondContact O-CB 3.37Å; A854-I857 PolarHBondContact O-N 3.38Å; A854-I857 VanDerWaalsContact O-N 3.15Å; A854-F858 WeakPolarHBondContact O-CB 3.44Å; A854-F858 PolarHBondContact O-N 2.93Å
855N95.5Very high92.3Very high49 Ų4980.7 Ų80.726%0.26237%0.372SS..Hα-helixtrans-61.1-48.4175.2-156.8111.7000111V839 Y851 Q853 I857 F858 D859V839-N855 HydrophobicContact CG1-CB 4.29Å; V839-N855 HydrophobicContact CG2-CB 4.44Å; Y851-N855 WeakPolarHBondContact O-CB 3.32Å; Y851-N855 PolarHBondContact O-N 3.41Å; Q853-N855 PolarHBondContact O-N 2.98Å; N855-I857 PolarHBondContact O-N 3.26Å; N855-I857 VanDerWaalsContact O-N 3.15Å; N855-F858 CarbonylContact O-C 3.55Å; N855-F858 WeakPolarHBondContact O-CA 3.47Å; N855-F858 WeakPolarHBondContact O-CB 3.16Å; N855-F858 PolarHBondContact O-N 2.78Å; N855-D859 PolarHBondContact ND2-OD1 2.84Å; N855-D859 PolarHBondContact ND2-OD2 2.81Å; N855-D859 PolarHBondContact O-N 2.78Å
856K95.8Very high92.6Very high106 Ų10685.8 Ų85.846%0.46140%0.395SS..Hα-helixtrans-63.4-20.1177-71163.5-163.5150.70113.6E852 Q853 K860E852-K856 WeakPolarHBondContact O-CB 3.18Å; E852-K856 WeakPolarHBondContact O-CD 3.26Å; E852-K856 WeakPolarHBondContact O-CE 3.08Å; E852-K856 WeakPolarHBondContact O-CG 3.38Å; E852-K856 PolarHBondContact O-N 3.07Å; E852-K856 IonicContact OE2-NZ 3.98Å; E852-K856 PolarHBondContact OE2-NZ 2.93Å; Q853-K856 PolarHBondContact O-N 3.36Å; K856-K860 VanDerWaalsContact O-CD 3.3Å; K856-K860 WeakPolarHBondContact O-CD 3.32Å; K856-K860 VanDerWaalsContact O-CG 3.23Å; K856-K860 WeakPolarHBondContact O-CG 3.45Å
857I95.1Very high92.9Very high45 Ų4586.8 Ų86.823%0.23140%0.401CS..Hα-helixtrans-83.4-42.1171.5-70.8163.8000110.3P726 L842 Q853 A854 N855 K860 A861P726-I857 HydrophobicContact CB-CG2 3.89Å; P726-I857 HydrophobicContact CG-CG2 3.75Å; L842-I857 HydrophobicContact CD1-CB 4.4Å; L842-I857 HydrophobicContact CD1-CG2 3.98Å; L842-I857 HydrophobicContact CD2-CG2 4.16Å; Q853-I857 WeakPolarHBondContact O-CG1 3.34Å; Q853-I857 PolarHBondContact O-N 2.83Å; A854-I857 WeakPolarHBondContact O-CB 3.37Å; A854-I857 PolarHBondContact O-N 3.38Å; A854-I857 VanDerWaalsContact O-N 3.15Å; N855-I857 PolarHBondContact O-N 3.26Å; N855-I857 VanDerWaalsContact O-N 3.15Å; I857-K860 PolarHBondContact O-N 3.48Å; I857-A861 WeakPolarHBondContact O-CB 3.48Å; I857-A861 PolarHBondContact O-N 3.4Å
858F96.1Very high93.5Very high53 Ų5379.6 Ų79.623%0.23237%0.37CS..Hα-helixtrans-61-49.9175-169.9-94.9000111.9P836 V839 L842 A854 N855 K860 A861 V862P836-F858 HydrophobicContact CB-CD2 3.96Å; P836-F858 HydrophobicContact CB-CE2 4.3Å; P836-F858 HydrophobicContact CG-CD2 3.62Å; P836-F858 HydrophobicContact CG-CE2 3.98Å; V839-F858 HydrophobicContact CG2-CB 3.89Å; V839-F858 HydrophobicContact CG2-CD1 4.17Å; V839-F858 HydrophobicContact CG2-CD2 4.38Å; V839-F858 HydrophobicContact CG2-CG 3.89Å; L842-F858 HydrophobicContact CD1-CB 3.94Å; L842-F858 HydrophobicContact CD1-CD2 4.22Å; A854-F858 WeakPolarHBondContact O-CB 3.44Å; A854-F858 PolarHBondContact O-N 2.93Å; N855-F858 CarbonylContact O-C 3.55Å; N855-F858 WeakPolarHBondContact O-CA 3.47Å; N855-F858 WeakPolarHBondContact O-CB 3.16Å; N855-F858 PolarHBondContact O-N 2.78Å; F858-K860 PolarHBondContact O-N 2.91Å; F858-A861 WeakPolarHBondContact O-CB 3.44Å; F858-A861 PolarHBondContact O-N 2.96Å; F858-V862 HydrophobicContact CD1-CG2 3.99Å; F858-V862 HydrophobicContact CE1-CG2 3.65Å; F858-V862 HydrophobicContact CZ-CG2 4.02Å; F858-V862 WeakPolarHBondContact O-CG2 3.13Å; F858-V862 PolarHBondContact O-N 2.92Å
859D96.1Very high93.9Very high83 Ų8368.5 Ų68.544%0.44433%0.329SS..Hα-helixtrans-55.5-40.6176.8-58.4-40.1000111.8N855 K863N855-D859 PolarHBondContact ND2-OD1 2.84Å; N855-D859 PolarHBondContact ND2-OD2 2.81Å; N855-D859 PolarHBondContact O-N 2.78Å; D859-K863 WeakPolarHBondContact O-CB 3.38Å; D859-K863 PolarHBondContact O-N 3.38Å
860K95.7Very high94.3Very high146 Ų14670.1 Ų70.164%0.63534%0.336SS*.Hα-helixtrans-68.9-40.2175.7-77.2175.3-178.3-178.40112.3K856 I857 F858 K863 L864K856-K860 VanDerWaalsContact O-CD 3.3Å; K856-K860 WeakPolarHBondContact O-CD 3.32Å; K856-K860 VanDerWaalsContact O-CG 3.23Å; K856-K860 WeakPolarHBondContact O-CG 3.45Å; I857-K860 PolarHBondContact O-N 3.48Å; F858-K860 PolarHBondContact O-N 2.91Å; K860-K863 PolarHBondContact O-N 2.86Å; K860-L864 WeakPolarHBondContact O-CB 3.22Å; K860-L864 WeakPolarHBondContact O-CG 3.33Å; K860-L864 PolarHBondContact O-N 3.01Å
861A96.1Very high94.4Very high2 Ų268.1 Ų68.12%0.01732%0.321CS..Hα-helixtrans-65.8-47177.800000110.9P726 F833 P836 I857 F858 K863 L864 E865P726-A861 HydrophobicContact CG-CB 4.46Å; F833-A861 HydrophobicContact CE2-CB 4.34Å; F833-A861 HydrophobicContact CZ-CB 4.07Å; F833-A861 VanDerWaalsContact CZ-O 3.26Å; F833-A861 WeakPolarHBondContact CZ-O 3.37Å; P836-A861 HydrophobicContact CG-CB 3.71Å; I857-A861 WeakPolarHBondContact O-CB 3.48Å; I857-A861 PolarHBondContact O-N 3.4Å; F858-A861 WeakPolarHBondContact O-CB 3.44Å; F858-A861 PolarHBondContact O-N 2.96Å; A861-K863 VanDerWaalsContact C-N 3.29Å; A861-K863 PolarHBondContact O-N 3.19Å; A861-L864 PolarHBondContact O-N 2.91Å; A861-L864 VanDerWaalsContact O-N 3.1Å; A861-E865 PolarHBondContact O-N 2.79Å
862V94.5Very high94.6Very high69 Ų6962.4 Ų62.442%0.41830%0.299SS..Hα-helixtrans-57.3-42.2174.2173.60000111.1F858 E865 Q866F858-V862 HydrophobicContact CD1-CG2 3.99Å; F858-V862 HydrophobicContact CE1-CG2 3.65Å; F858-V862 HydrophobicContact CZ-CG2 4.02Å; F858-V862 WeakPolarHBondContact O-CG2 3.13Å; F858-V862 PolarHBondContact O-N 2.92Å; V862-E865 PolarHBondContact O-N 2.95Å; V862-Q866 PolarHBondContact O-N 2.66Å
863K94.6Very high94.7Very high111 Ų11157.4 Ų57.448%0.48328%0.277SS..Hα-helixtrans-68.3-36.8175.3-170.3167.5-162.8-67.30113.3D859 K860 A861 E865 Q866 D867D859-K863 WeakPolarHBondContact O-CB 3.38Å; D859-K863 PolarHBondContact O-N 3.38Å; K860-K863 PolarHBondContact O-N 2.86Å; A861-K863 VanDerWaalsContact C-N 3.29Å; A861-K863 PolarHBondContact O-N 3.19Å; K863-E865 VanDerWaalsContact C-N 3.32Å; K863-Q866 PolarHBondContact O-N 2.81Å; K863-D867 VanDerWaalsContact NZ-CG 3.26Å; K863-D867 IonicContact NZ-OD1 2.78Å; K863-D867 PolarHBondContact NZ-OD1 3.02Å; K863-D867 IonicContact NZ-OD2 3.18Å; K863-D867 PolarHBondContact NZ-OD2 3.47Å; K863-D867 VanDerWaalsContact O-CB 3.31Å; K863-D867 WeakPolarHBondContact O-CB 3.2Å; K863-D867 VanDerWaalsContact O-CG 3.28Å; K863-D867 PolarHBondContact O-N 2.61Å
864L94.8Very high94.9Very high43 Ų4353.5 Ų53.523%0.22526%0.261CS..Hα-helixtrans-64.2-38.6174.1-77.7168.1000111.7F833 K860 A861 F868F833-L864 HydrophobicContact CE2-CB 4.01Å; K860-L864 WeakPolarHBondContact O-CB 3.22Å; K860-L864 WeakPolarHBondContact O-CG 3.33Å; K860-L864 PolarHBondContact O-N 3.01Å; A861-L864 PolarHBondContact O-N 2.91Å; A861-L864 VanDerWaalsContact O-N 3.1Å; L864-F868 HydrophobicContact CD2-CD2 3.98Å; L864-F868 HydrophobicContact CD2-CE2 4.12Å; L864-F868 WeakPolarHBondContact O-CB 3.37Å; L864-F868 PolarHBondContact O-N 3.45Å
865E94.4Very high95.1Very high44 Ų4455.5 Ų55.521%0.20627%0.271CS..Hα-helixtrans-63.7-42.3173.8-163.9176.5166.700111.5F833 K835 A861 V862 K863 G869F833-E865 HydrophobicContact CD1-CG 4.46Å; F833-E865 HydrophobicContact CE1-CB 3.74Å; F833-E865 HydrophobicContact CE1-CG 3.94Å; F833-E865 HydrophobicContact CZ-CB 3.99Å; K835-E865 WeakPolarHBondContact CD-OE2 3.33Å; K835-E865 WeakPolarHBondContact CE-OE1 3.49Å; K835-E865 WeakPolarHBondContact CE-OE2 3.08Å; K835-E865 IonicContact NZ-OE1 2.88Å; K835-E865 PolarHBondContact NZ-OE1 2.83Å; K835-E865 IonicContact NZ-OE2 3.72Å; K835-E865 PolarHBondContact NZ-OE2 2.93Å; A861-E865 PolarHBondContact O-N 2.79Å; V862-E865 PolarHBondContact O-N 2.95Å; K863-E865 VanDerWaalsContact C-N 3.32Å; E865-G869 WeakPolarHBondContact O-CA 3.37Å; E865-G869 PolarHBondContact O-N 2.85Å
866Q91.4Very high95.1Very high151 Ų15153.3 Ų53.371%0.70626%0.259SS*.Hα-helixtrans-68.7-43.2176.1-173.1178.19.400113.5V862 K863V862-Q866 PolarHBondContact O-N 2.66Å; K863-Q866 PolarHBondContact O-N 2.81Å
867D93.4Very high95.1Very high63 Ų6352 Ų5234%0.33726%0.255SS..Hα-helixtrans-77.3-25.1-175.6-72.9-8.7000113K863K863-D867 VanDerWaalsContact NZ-CG 3.26Å; K863-D867 IonicContact NZ-OD1 2.78Å; K863-D867 PolarHBondContact NZ-OD1 3.02Å; K863-D867 IonicContact NZ-OD2 3.18Å; K863-D867 PolarHBondContact NZ-OD2 3.47Å; K863-D867 VanDerWaalsContact O-CB 3.31Å; K863-D867 WeakPolarHBondContact O-CB 3.2Å; K863-D867 VanDerWaalsContact O-CG 3.28Å; K863-D867 PolarHBondContact O-N 2.61Å
868F95.1Very high94.8Very high15 Ų1550 Ų507%0.06625%0.245CC..Hα-helixtrans-135.45.7-170.1-60.1-83.1000115.9G816 L864 E870 F871 F872G816-F868 WeakPolarHBondContact O-CE1 3.38Å; L864-F868 HydrophobicContact CD2-CD2 3.98Å; L864-F868 HydrophobicContact CD2-CE2 4.12Å; L864-F868 WeakPolarHBondContact O-CB 3.37Å; L864-F868 PolarHBondContact O-N 3.45Å; F868-E870 PolarHBondContact O-N 2.68Å; F868-F871 HydrophobicContact CB-CD2 4.43Å; F868-F871 HydrophobicContact CD1-CD2 4.33Å; F868-F871 PolarHBondContact O-N 2.71Å; F868-F872 HydrophobicContact CB-CE1 3.67Å; F868-F872 HydrophobicContact CB-CZ 3.72Å
869G93.7Very high94.4Very high3 Ų352.3 Ų52.33%0.03126%0.26CS..THydrogen-bonded Turntrans-60.4-13.7-173.900000117.1Y588 E865Y588-G869 WeakPolarHBondContact CE2-O 3.49Å; Y588-G869 PolarHBondContact OH-O 3.04Å; E865-G869 WeakPolarHBondContact O-CA 3.37Å; E865-G869 PolarHBondContact O-N 2.85Å
870E93.4Very high94.2Very high73 Ų7350.8 Ų50.834%0.34126%0.256SS..THydrogen-bonded Turntrans-85-18.5171.367.4-173.1155.500113.3L568 L705 F868L568-E870 HydrophobicContact CD1-CB 4.28Å; L705-E870 HydrophobicContact CD2-CB 3.99Å; F868-E870 PolarHBondContact O-N 2.68Å
871F94.6Very high93.9Very high34 Ų3445 Ų4515%0.14923%0.231CC..SBendtrans-98.7-5.6-173.5-58.6-81.4000114.8I819 K820 F868I819-F871 HydrophobicContact CD1-CB 4.26Å; I819-F871 HydrophobicContact CG2-CB 3.98Å; K820-F871 HydrophobicContact CD-CD1 4.44Å; K820-F871 HydrophobicContact CD-CE1 3.89Å; K820-F871 HydrophobicContact CD-CE2 4.07Å; K820-F871 HydrophobicContact CD-CZ 3.72Å; K820-F871 HydrophobicContact CG-CD1 4.06Å; K820-F871 HydrophobicContact CG-CE1 3.92Å; K820-F871 HydrophobicContact CG-CG 4.49Å; K820-F871 HydrophobicContact CG-CZ 4.24Å; F868-F871 HydrophobicContact CB-CD2 4.43Å; F868-F871 HydrophobicContact CD1-CD2 4.33Å; F868-F871 PolarHBondContact O-N 2.71Å
872F96.6Very high93.8Very high1 Ų151.5 Ų51.50%0.00426%0.262CS..  trans-76.6144.1178.3-49.5-39.2000110.6Y588 L724 I819 F833 F868 I875Y588-F872 HydrophobicContact CE1-CB 4.15Å; Y588-F872 WeakPolarHBondContact OH-CB 3.23Å; Y588-F872 PolarHBondContact OH-O 2.77Å; L724-F872 HydrophobicContact CD1-CE1 3.83Å; I819-F872 HydrophobicContact CD1-CD1 4.39Å; I819-F872 HydrophobicContact CD1-CE1 4.48Å; F833-F872 HydrophobicContact CB-CD1 4.07Å; F833-F872 HydrophobicContact CB-CD2 3.47Å; F833-F872 VanDerWaalsContact CB-CD2 3.47Å; F833-F872 HydrophobicContact CB-CE1 4.07Å; F833-F872 HydrophobicContact CB-CE2 3.44Å; F833-F872 VanDerWaalsContact CB-CE2 3.44Å; F833-F872 HydrophobicContact CB-CG 3.8Å; F833-F872 HydrophobicContact CB-CZ 3.76Å; F833-F872 HydrophobicContact CD1-CD2 4.2Å; F833-F872 AromaticContact CD1-CE2 3.72Å; F833-F872 HydrophobicContact CD1-CE2 3.72Å; F833-F872 HydrophobicContact CD1-CZ 4.42Å; F833-F872 HydrophobicContact CD2-CE2 4.15Å; F833-F872 HydrophobicContact CD2-CZ 4.04Å; F833-F872 HydrophobicContact CG-CD2 4.01Å; F833-F872 AromaticContact CG-CE2 3.5Å; F833-F872 HydrophobicContact CG-CE2 3.5Å; F833-F872 VanDerWaalsContact CG-CE2 3.5Å; F833-F872 AromaticContact CG-CZ 3.82Å; F833-F872 HydrophobicContact CG-CZ 3.82Å; F868-F872 HydrophobicContact CB-CE1 3.67Å; F868-F872 HydrophobicContact CB-CZ 3.72Å; F872-I875 HydrophobicContact CD2-CD1 4.34Å; F872-I875 HydrophobicContact CD2-CG1 4.08Å
873T96.1Very high93.8Very high21 Ų2151.3 Ų51.313%0.12926%0.256CS..SBendtrans-78.7-36.1168.4-480000110.4I830 A831 Q895I830-T873 HydrophobicContact CG2-CG2 4.39Å; A831-T873 PolarHBondContact N-OG1 3.2Å; A831-T873 WeakPolarHBondContact O-CB 3.44Å; A831-T873 PolarHBondContact O-N 2.68Å; T873-Q895 HydrophobicContact CG2-CG 3.9Å
874A96.5Very high93.9Very high12 Ų1246.2 Ų46.210%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-153.2153.6177.300000112A831 F833 I891A831-A874 PolarHBondContact O-N 2.99Å; F833-A874 PolarHBondContact N-O 2.83Å; A874-I891 HydrophobicContact CB-CD1 3.88Å; A874-I891 HydrophobicContact CB-CG1 4.38Å; A874-I891 HydrophobicContact CB-CG2 3.8Å
875I96.9Very high94Very high42 Ų4245.2 Ų45.222%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-111123.7170.1-63.9179.6000108.2Y588 F833 K835 F872Y588-I875 HydrophobicContact CD1-CB 4.31Å; Y588-I875 HydrophobicContact CD1-CD1 4.14Å; Y588-I875 HydrophobicContact CD1-CG1 3.83Å; Y588-I875 HydrophobicContact CD2-CD1 3.6Å; Y588-I875 HydrophobicContact CD2-CG1 4.23Å; Y588-I875 HydrophobicContact CE1-CD1 4.22Å; Y588-I875 HydrophobicContact CE1-CG1 3.89Å; Y588-I875 HydrophobicContact CE2-CD1 3.66Å; Y588-I875 HydrophobicContact CE2-CG1 4.26Å; Y588-I875 HydrophobicContact CG-CB 4.48Å; Y588-I875 HydrophobicContact CG-CD1 3.88Å; Y588-I875 HydrophobicContact CG-CG1 4.04Å; F833-I875 HydrophobicContact CD1-CG1 4.3Å; F833-I875 HydrophobicContact CD1-CG2 4.16Å; F833-I875 CarbonylContact O-C 3.52Å; F833-I875 WeakPolarHBondContact O-CA 3.47Å; K835-I875 HydrophobicContact CB-CG2 3.6Å; K835-I875 HydrophobicContact CD-CG2 3.73Å; K835-I875 HydrophobicContact CG-CG2 4.33Å; F872-I875 HydrophobicContact CD2-CD1 4.34Å; F872-I875 HydrophobicContact CD2-CG1 4.08Å
876V96.9Very high94.1Very high3 Ų346.2 Ų46.22%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-108.9129-178.4176.40000110.2I832 F833 I834 K835 I884 K887 I888 I891I832-V876 HydrophobicContact CG2-CB 4.31Å; I832-V876 HydrophobicContact CG2-CG2 3.53Å; F833-V876 PolarHBondContact O-N 3.16Å; I834-V876 CarbonylContact C-O 3.59Å; I834-V876 WeakPolarHBondContact CA-O 3.05Å; K835-V876 PolarHBondContact N-O 3.1Å; V876-I884 HydrophobicContact CG1-CB 4.32Å; V876-I884 HydrophobicContact CG1-CG1 4.34Å; V876-I884 HydrophobicContact CG1-CG2 3.98Å; V876-K887 HydrophobicContact CG1-CB 3.9Å; V876-K887 HydrophobicContact CG1-CD 4.2Å; V876-I888 HydrophobicContact CB-CG1 4.48Å; V876-I888 HydrophobicContact CG1-CG1 4.33Å; V876-I888 HydrophobicContact CG2-CG1 4.05Å; V876-I891 HydrophobicContact CG2-CD1 3.32Å
877Q94.4Very high94.4Very high78 Ų7843 Ų4336%0.36422%0.218SC..  trans-135.8142.8175.3-176.4167.785.200109.7K835 K837 K887K835-Q877 WeakPolarHBondContact O-CG 3.2Å; K835-Q877 PolarHBondContact O-NE2 3.47Å; K837-Q877 HydrophobicContact CD-CG 4.32Å; K837-Q877 HydrophobicContact CG-CG 3.59Å; Q877-K887 PolarHBondContact O-NZ 3.46Å
878G90.7Very high94.6Very high3 Ų340 Ų403%0.03120%0.202CC..  trans-165.5174.5-17900000111.2E883G878-E883 VanDerWaalsContact CA-CD 3.47Å; G878-E883 WeakPolarHBondContact CA-OE1 3.38Å; G878-E883 WeakPolarHBondContact CA-OE2 3.38Å
879D87.1Confident94.7Very high101 Ų10141.3 Ų41.354%0.5421%0.208SC..SBendtrans-100.2-21.6177.7-63.7-58.5000112.6K837 E883K837-D879 VanDerWaalsContact CD-OD1 3.3Å; K837-D879 WeakPolarHBondContact CD-OD1 3.31Å; K837-D879 VanDerWaalsContact CE-OD1 3.24Å; K837-D879 WeakPolarHBondContact CE-OD1 3.33Å; K837-D879 IonicContact NZ-OD1 3.87Å; K837-D879 PolarHBondContact NZ-OD1 3.18Å; K837-D879 IonicContact NZ-OD2 3.78Å; K837-D879 PolarHBondContact NZ-OD2 2.97Å; D879-E883 PolarHBondContact N-OE2 3.09Å
880S90.9Very high94.8Very high51 Ų5146.7 Ų46.736%0.35724%0.235SC..SBendtrans-122.9154.4174.891.30000112.3E882 E883 I884S880-E882 VanDerWaalsContact C-N 3.25Å; S880-E882 PolarHBondContact O-N 2.7Å; S880-E882 PolarHBondContact OG-N 3.34Å; S880-E883 PolarHBondContact O-N 2.93Å; S880-E883 WeakPolarHBondContact OG-CB 3.27Å; S880-E883 PolarHBondContact OG-N 3.04Å; S880-I884 WeakPolarHBondContact O-CG1 3.47Å; S880-I884 PolarHBondContact O-N 3.29Å; S880-I884 VanDerWaalsContact O-N 3.12Å
881L90.9Very high94.9Very high24 Ų2444.7 Ų44.713%0.12623%0.227CC..Hα-helixtrans-63.5-33.4174.1-179.562.2000112M727 R730 V731 I884 Y885M727-L881 HydrophobicContact CB-CD1 3.73Å; M727-L881 HydrophobicContact CG-CD1 4.23Å; R730-L881 HydrophobicContact CG-CD2 4.1Å; V731-L881 HydrophobicContact CG2-CD1 3.97Å; L881-I884 PolarHBondContact O-N 2.96Å; L881-Y885 WeakPolarHBondContact O-CB 3.39Å; L881-Y885 PolarHBondContact O-N 2.7Å
882E93.5Very high95.1Very high140 Ų14043.3 Ų43.365%0.65422%0.22SC*.Hα-helixtrans-68.9-39.1179-178.2173-170.500111.9S880 Y885 N886S880-E882 VanDerWaalsContact C-N 3.25Å; S880-E882 PolarHBondContact O-N 2.7Å; S880-E882 PolarHBondContact OG-N 3.34Å; E882-Y885 PolarHBondContact O-N 3.24Å; E882-N886 WeakPolarHBondContact O-CB 3.42Å; E882-N886 PolarHBondContact O-N 2.76Å; E882-N886 PolarHBondContact O-ND2 3.15Å
883E94.5Very high95Very high64 Ų6448.7 Ų48.730%0.29925%0.246SC..Hα-helixtrans-62.5-46.5172.3-171.6-158160.600111.1G878 D879 S880 Y885 N886 K887G878-E883 VanDerWaalsContact CA-CD 3.47Å; G878-E883 WeakPolarHBondContact CA-OE1 3.38Å; G878-E883 WeakPolarHBondContact CA-OE2 3.38Å; D879-E883 PolarHBondContact N-OE2 3.09Å; S880-E883 PolarHBondContact O-N 2.93Å; S880-E883 WeakPolarHBondContact OG-CB 3.27Å; S880-E883 PolarHBondContact OG-N 3.04Å; E883-Y885 VanDerWaalsContact C-N 3.35Å; E883-N886 PolarHBondContact O-N 2.87Å; E883-K887 HydrophobicContact CG-CD 4.32Å; E883-K887 WeakPolarHBondContact O-CB 3.42Å; E883-K887 WeakPolarHBondContact O-CG 3.49Å; E883-K887 PolarHBondContact O-N 2.82Å; E883-K887 WeakPolarHBondContact OE1-CE 3.48Å; E883-K887 IonicContact OE1-NZ 3.86Å; E883-K887 PolarHBondContact OE1-NZ 2.91Å
884I95.8Very high94.8Very high4 Ų453 Ų532%0.02126%0.264CS..Hα-helixtrans-60.7-44.9175.7-69.6166.4000110.5I834 M845 V876 S880 L881 K887 I888I834-I884 HydrophobicContact CD1-CG2 4.03Å; I834-I884 HydrophobicContact CG1-CG2 4.11Å; I834-I884 HydrophobicContact CG2-CD1 4.21Å; I834-I884 HydrophobicContact CG2-CG2 4.12Å; M845-I884 HydrophobicContact SD-CD1 3.7Å; V876-I884 HydrophobicContact CG1-CB 4.32Å; V876-I884 HydrophobicContact CG1-CG1 4.34Å; V876-I884 HydrophobicContact CG1-CG2 3.98Å; S880-I884 WeakPolarHBondContact O-CG1 3.47Å; S880-I884 PolarHBondContact O-N 3.29Å; S880-I884 VanDerWaalsContact O-N 3.12Å; L881-I884 PolarHBondContact O-N 2.96Å; I884-K887 PolarHBondContact O-N 2.77Å; I884-I888 HydrophobicContact CG2-CD1 3.75Å; I884-I888 WeakPolarHBondContact O-CB 3.31Å; I884-I888 VanDerWaalsContact O-CG1 3.23Å; I884-I888 WeakPolarHBondContact O-CG1 3.21Å; I884-I888 PolarHBondContact O-N 2.79Å
885Y97.1Very high94.6Very high22 Ų2254.7 Ų54.79%0.08627%0.27CS..Hα-helixtrans-63.1-47.1179.7-177.1-114.6000112.3V731 D734 L735 E738 L881 E882 E883 I888 K889V731-Y885 HydrophobicContact CG1-CD2 4.06Å; V731-Y885 HydrophobicContact CG1-CE2 4.47Å; V731-Y885 HydrophobicContact CG2-CD2 4.46Å; D734-Y885 VanDerWaalsContact C-OH 3.3Å; D734-Y885 HydrophobicContact CB-CD2 4.37Å; D734-Y885 HydrophobicContact CB-CE2 3.67Å; D734-Y885 PolarHBondContact O-OH 2.8Å; L735-Y885 HydrophobicContact CD2-CE2 3.8Å; L735-Y885 HydrophobicContact CG-CE2 3.86Å; L735-Y885 PolarHBondContact N-OH 3.06Å; E738-Y885 WeakPolarHBondContact OE2-CE1 3.26Å; E738-Y885 VanDerWaalsContact OE2-CZ 3.24Å; E738-Y885 PolarHBondContact OE2-OH 3.37Å; L881-Y885 WeakPolarHBondContact O-CB 3.39Å; L881-Y885 PolarHBondContact O-N 2.7Å; E882-Y885 PolarHBondContact O-N 3.24Å; E883-Y885 VanDerWaalsContact C-N 3.35Å; Y885-I888 PolarHBondContact O-N 3.39Å; Y885-K889 HydrophobicContact CD1-CD 4.32Å; Y885-K889 HydrophobicContact CE1-CD 3.76Å; Y885-K889 HydrophobicContact CE1-CG 4.47Å; Y885-K889 VanDerWaalsContact CE1-NZ 3.29Å; Y885-K889 WeakPolarHBondContact O-CG 3.49Å; Y885-K889 PolarHBondContact O-N 2.71Å
886N97.1Very high94.4Very high65 Ų6555 Ų5535%0.34828%0.276SS..Hα-helixtrans-67.3-38.4178.4-71.4-33000112E882 E883 I888 K889 L890E882-N886 WeakPolarHBondContact O-CB 3.42Å; E882-N886 PolarHBondContact O-N 2.76Å; E882-N886 PolarHBondContact O-ND2 3.15Å; E883-N886 PolarHBondContact O-N 2.87Å; N886-I888 PolarHBondContact O-N 2.77Å; N886-K889 PolarHBondContact O-N 3.31Å; N886-K889 WeakPolarHBondContact OD1-CE 3.29Å; N886-K889 PolarHBondContact OD1-NZ 2.83Å; N886-L890 WeakPolarHBondContact O-CG 3.38Å; N886-L890 PolarHBondContact O-N 3Å; N886-L890 VanDerWaalsContact O-N 3.1Å
887K97.1Very high94Very high83 Ų8356.2 Ų56.236%0.36129%0.289SS..Hα-helixtrans-59.3-44169.9-77.9171.2168.5173.30112V876 Q877 E883 I884 L890 I891V876-K887 HydrophobicContact CG1-CB 3.9Å; V876-K887 HydrophobicContact CG1-CD 4.2Å; Q877-K887 PolarHBondContact O-NZ 3.46Å; E883-K887 HydrophobicContact CG-CD 4.32Å; E883-K887 WeakPolarHBondContact O-CB 3.42Å; E883-K887 WeakPolarHBondContact O-CG 3.49Å; E883-K887 PolarHBondContact O-N 2.82Å; E883-K887 WeakPolarHBondContact OE1-CE 3.48Å; E883-K887 IonicContact OE1-NZ 3.86Å; E883-K887 PolarHBondContact OE1-NZ 2.91Å; I884-K887 PolarHBondContact O-N 2.77Å; K887-L890 PolarHBondContact O-N 3.4Å; K887-I891 WeakPolarHBondContact O-CD1 3.27Å; K887-I891 VanDerWaalsContact O-CG1 3.3Å; K887-I891 WeakPolarHBondContact O-CG1 3.46Å; K887-I891 PolarHBondContact O-N 3.26Å
888I98Very high93.8Very high0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-62.8-43.2176.9-74.5169.9000111.5I723 V731 L735 I832 I834 V876 I884 Y885 N886 L890 I891 I892I723-I888 HydrophobicContact CD1-CG2 3.85Å; I723-I888 HydrophobicContact CG2-CD1 4.35Å; V731-I888 HydrophobicContact CG1-CD1 3.86Å; V731-I888 HydrophobicContact CG1-CG2 4.05Å; V731-I888 HydrophobicContact CG2-CD1 4.35Å; L735-I888 HydrophobicContact CD1-CG2 4.32Å; I832-I888 HydrophobicContact CD1-CG2 4.13Å; I832-I888 HydrophobicContact CG2-CG1 4.16Å; I834-I888 HydrophobicContact CD1-CD1 3.85Å; I834-I888 HydrophobicContact CG1-CD1 3.96Å; V876-I888 HydrophobicContact CB-CG1 4.48Å; V876-I888 HydrophobicContact CG1-CG1 4.33Å; V876-I888 HydrophobicContact CG2-CG1 4.05Å; I884-I888 HydrophobicContact CG2-CD1 3.75Å; I884-I888 WeakPolarHBondContact O-CB 3.31Å; I884-I888 VanDerWaalsContact O-CG1 3.23Å; I884-I888 WeakPolarHBondContact O-CG1 3.21Å; I884-I888 PolarHBondContact O-N 2.79Å; Y885-I888 PolarHBondContact O-N 3.39Å; N886-I888 PolarHBondContact O-N 2.77Å; I888-L890 PolarHBondContact O-N 2.86Å; I888-I891 PolarHBondContact O-N 2.88Å; I888-I892 HydrophobicContact CG2-CD1 3.75Å; I888-I892 HydrophobicContact CG2-CG1 4.46Å; I888-I892 VanDerWaalsContact O-CG1 3.29Å; I888-I892 WeakPolarHBondContact O-CG1 3.36Å; I888-I892 PolarHBondContact O-N 3.11Å
889K97.1Very high93.9Very high44 Ų4461.2 Ų61.219%0.19132%0.315CS..Hα-helixtrans-58.2-47.5175.7-73-167.6-70.1-1720111.8L735 E738 F739 Y885 N886 I892 E893L735-K889 HydrophobicContact CD2-CD 4.35Å; L735-K889 HydrophobicContact CD2-CG 3.78Å; E738-K889 IonicContact OE1-NZ 3.21Å; E738-K889 PolarHBondContact OE1-NZ 3.38Å; E738-K889 IonicContact OE2-NZ 3.91Å; E738-K889 PolarHBondContact OE2-NZ 3.05Å; F739-K889 HydrophobicContact CE2-CD 3.65Å; F739-K889 HydrophobicContact CZ-CD 4.16Å; Y885-K889 HydrophobicContact CD1-CD 4.32Å; Y885-K889 HydrophobicContact CE1-CD 3.76Å; Y885-K889 HydrophobicContact CE1-CG 4.47Å; Y885-K889 VanDerWaalsContact CE1-NZ 3.29Å; Y885-K889 WeakPolarHBondContact O-CG 3.49Å; Y885-K889 PolarHBondContact O-N 2.71Å; N886-K889 PolarHBondContact O-N 3.31Å; N886-K889 WeakPolarHBondContact OD1-CE 3.29Å; N886-K889 PolarHBondContact OD1-NZ 2.83Å; K889-I892 PolarHBondContact O-N 3.08Å; K889-E893 WeakPolarHBondContact O-CB 3.5Å; K889-E893 PolarHBondContact O-N 2.78Å
890L95.9Very high94.3Very high115 Ų11556.6 Ų56.660%0.60229%0.29SS*.Hα-helixtrans-62-46.3177.9-69.1169.1000112.4N886 K887 I888 I892 E893 E894N886-L890 WeakPolarHBondContact O-CG 3.38Å; N886-L890 PolarHBondContact O-N 3Å; N886-L890 VanDerWaalsContact O-N 3.1Å; K887-L890 PolarHBondContact O-N 3.4Å; I888-L890 PolarHBondContact O-N 2.86Å; L890-I892 VanDerWaalsContact C-N 3.34Å; L890-I892 PolarHBondContact O-N 2.79Å; L890-E893 PolarHBondContact O-N 3.08Å; L890-E894 WeakPolarHBondContact O-CB 3.07Å; L890-E894 PolarHBondContact O-N 2.84Å
891I96.2Very high94.4Very high32 Ų3256.7 Ų56.716%0.16428%0.282CS..Hα-helixtrans-61.4-41.8177.8-71.4161000111.2I830 I832 A874 V876 K887 I888 Q895I830-I891 HydrophobicContact CG2-CG2 4.46Å; I832-I891 HydrophobicContact CD1-CB 4.3Å; I832-I891 HydrophobicContact CD1-CG2 3.73Å; I832-I891 HydrophobicContact CG1-CG2 4.12Å; A874-I891 HydrophobicContact CB-CD1 3.88Å; A874-I891 HydrophobicContact CB-CG1 4.38Å; A874-I891 HydrophobicContact CB-CG2 3.8Å; V876-I891 HydrophobicContact CG2-CD1 3.32Å; K887-I891 WeakPolarHBondContact O-CD1 3.27Å; K887-I891 VanDerWaalsContact O-CG1 3.3Å; K887-I891 WeakPolarHBondContact O-CG1 3.46Å; K887-I891 PolarHBondContact O-N 3.26Å; I888-I891 PolarHBondContact O-N 2.88Å; I891-Q895 HydrophobicContact CG2-CG 4.39Å; I891-Q895 WeakPolarHBondContact O-CB 3.22Å; I891-Q895 WeakPolarHBondContact O-CG 3.46Å; I891-Q895 PolarHBondContact O-N 2.78Å
892I97.1Very high94.5Very high4 Ų456.1 Ų56.12%0.02128%0.279CS..Hα-helixtrans-62.6-48.7175.9-67.8165.9000109.8V721 L735 F743 I830 I832 I888 K889 L890 Q895 S896V721-I892 HydrophobicContact CG1-CD1 3.95Å; V721-I892 HydrophobicContact CG1-CG1 4.24Å; V721-I892 HydrophobicContact CG2-CD1 4.38Å; V721-I892 HydrophobicContact CG2-CG1 4.36Å; V721-I892 HydrophobicContact CG2-CG2 4.4Å; L735-I892 HydrophobicContact CD1-CD1 3.81Å; F743-I892 HydrophobicContact CE1-CD1 4.13Å; F743-I892 HydrophobicContact CE1-CG2 4.03Å; F743-I892 HydrophobicContact CZ-CD1 4.2Å; F743-I892 HydrophobicContact CZ-CG2 4.07Å; I830-I892 HydrophobicContact CD1-CG2 4.22Å; I832-I892 HydrophobicContact CD1-CD1 4.41Å; I832-I892 HydrophobicContact CD1-CG1 3.85Å; I888-I892 HydrophobicContact CG2-CD1 3.75Å; I888-I892 HydrophobicContact CG2-CG1 4.46Å; I888-I892 VanDerWaalsContact O-CG1 3.29Å; I888-I892 WeakPolarHBondContact O-CG1 3.36Å; I888-I892 PolarHBondContact O-N 3.11Å; K889-I892 PolarHBondContact O-N 3.08Å; L890-I892 VanDerWaalsContact C-N 3.34Å; L890-I892 PolarHBondContact O-N 2.79Å; I892-Q895 CarbonylContact O-C 3.45Å; I892-Q895 PolarHBondContact O-N 2.88Å; I892-S896 WeakPolarHBondContact O-CB 3.47Å; I892-S896 PolarHBondContact O-N 3.27Å; I892-S896 PolarHBondContact O-OG 2.85Å
893E94.4Very high94.5Very high114 Ų11451.5 Ų51.553%0.53326%0.261SS..Hα-helixtrans-62-44.6-177-170.2147.2-112.300112.5K742 K889 L890 Q895 S896K742-E893 IonicContact NZ-OE1 3.8Å; K742-E893 PolarHBondContact NZ-OE1 2.87Å; K889-E893 WeakPolarHBondContact O-CB 3.5Å; K889-E893 PolarHBondContact O-N 2.78Å; L890-E893 PolarHBondContact O-N 3.08Å; E893-Q895 VanDerWaalsContact C-N 3.34Å; E893-Q895 PolarHBondContact O-N 2.9Å; E893-S896 WeakPolarHBondContact O-CB 3.31Å; E893-S896 PolarHBondContact O-N 3.41Å
894E92.1Very high94.2Very high111 Ų11149.5 Ų49.552%0.51926%0.255SS..Hα-helixtrans-60.7-42.2172.8-179.3173.2-149.600112.2P610 L890 S896P610-E894 WeakPolarHBondContact CD-OE1 3.4Å; P610-E894 HydrophobicContact CG-CG 3.66Å; P610-E894 WeakPolarHBondContact CG-OE1 3.4Å; L890-E894 WeakPolarHBondContact O-CB 3.07Å; L890-E894 PolarHBondContact O-N 2.84Å; E894-S896 VanDerWaalsContact C-N 3.26Å; E894-S896 PolarHBondContact O-N 3.44Å
895Q93.7Very high93.6Very high49 Ų4955 Ų5523%0.22929%0.29CS..THydrogen-bonded Turntrans-81.30.2-178.1-67.7-69-41.300114R719 I830 T873 I891 I892 E893R719-Q895 WeakPolarHBondContact CD-O 3.11Å; R719-Q895 PolarHBondContact NH1-O 3.44Å; I830-Q895 HydrophobicContact CD1-CB 3.73Å; I830-Q895 HydrophobicContact CG1-CB 3.89Å; I830-Q895 HydrophobicContact CG2-CB 4.06Å; I830-Q895 HydrophobicContact CG2-CG 4.36Å; T873-Q895 HydrophobicContact CG2-CG 3.9Å; I891-Q895 HydrophobicContact CG2-CG 4.39Å; I891-Q895 WeakPolarHBondContact O-CB 3.22Å; I891-Q895 WeakPolarHBondContact O-CG 3.46Å; I891-Q895 PolarHBondContact O-N 2.78Å; I892-Q895 CarbonylContact O-C 3.45Å; I892-Q895 PolarHBondContact O-N 2.88Å; E893-Q895 VanDerWaalsContact C-N 3.34Å; E893-Q895 PolarHBondContact O-N 2.9Å
896S92.1Very high92.6Very high48 Ų4859 Ų5934%0.33631%0.31SS..THydrogen-bonded Turntrans-83.2-5.9-178-65.70000114.8H809 I892 E893 E894H809-S896 PolarHBondContact CE1-OG 3.44Å; H809-S896 PolarHBondContact NE2-OG 2.78Å; H809-S896 VanDerWaalsContact NE2-OG 3.09Å; I892-S896 WeakPolarHBondContact O-CB 3.47Å; I892-S896 PolarHBondContact O-N 3.27Å; I892-S896 PolarHBondContact O-OG 2.85Å; E893-S896 WeakPolarHBondContact O-CB 3.31Å; E893-S896 PolarHBondContact O-N 3.41Å; E894-S896 VanDerWaalsContact C-N 3.26Å; E894-S896 PolarHBondContact O-N 3.44Å
897G88.7Confident91.5Very high29 Ų2965.5 Ų65.530%0.29934%0.335SS..SBendtrans-61.5155.3-178.400000113.9Y899G897-Y899 PolarHBondContact O-N 2.94Å
898P90.3Very high90.2Very high75 Ų7565.1 Ų65.149%0.48734%0.336SS..SBendtrans-69.2-11.7178.430.1-36.2000113.1E714 I715E714-P898 CarbonylContact C-O 3.57Å; E714-P898 WeakPolarHBondContact CA-O 3.48Å; I715-P898 WeakPolarHBondContact CG1-O 3.35Å; I715-P898 PolarHBondContact N-O 3.26Å
899Y92.9Very high89.8Confident111 Ų11168.4 Ų68.444%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-106.2123.4173.2-63.5-74.4000110.3R712 Q713 E714 G897R712-Y899 HydrophobicContact CG-CD1 4.42Å; Q713-Y899 WeakPolarHBondContact O-CA 3.21Å; E714-Y899 HydrophobicContact CB-CD1 3.96Å; E714-Y899 HydrophobicContact CB-CE1 3.75Å; E714-Y899 HydrophobicContact CG-CD1 4.11Å; E714-Y899 HydrophobicContact CG-CE1 3.7Å; E714-Y899 VanDerWaalsContact OE2-CE1 3.23Å; E714-Y899 WeakPolarHBondContact OE2-CE1 3.41Å; E714-Y899 PolarHBondContact OE2-OH 2.92Å; G897-Y899 PolarHBondContact O-N 2.94Å
900I94.4Very high89.5Confident3 Ų369.6 Ų69.62%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-119160179.759.8165.8000111.4R712 Q713 I715 R719 Y828 I902R712-I900 CarbonylContact C-O 3.6Å; R712-I900 WeakPolarHBondContact CA-O 3.47Å; Q713-I900 HydrophobicContact CB-CG1 4.22Å; Q713-I900 PolarHBondContact N-O 3.38Å; Q713-I900 PolarHBondContact O-N 3.01Å; I715-I900 HydrophobicContact CD1-CD1 4.27Å; I715-I900 HydrophobicContact CD1-CG1 4.49Å; I715-I900 HydrophobicContact CD1-CG2 3.66Å; I715-I900 HydrophobicContact CG1-CG1 4.48Å; I715-I900 HydrophobicContact CG1-CG2 4.13Å; I715-I900 HydrophobicContact CG2-CD1 3.63Å; I715-I900 HydrophobicContact CG2-CG1 3.98Å; R719-I900 HydrophobicContact CG-CG2 4.5Å; Y828-I900 HydrophobicContact CD2-CD1 3.81Å; Y828-I900 HydrophobicContact CG-CD1 3.91Å; I900-I902 HydrophobicContact CD1-CG2 3.46Å; I900-I902 VanDerWaalsContact CD1-CG2 3.46Å; I900-I902 HydrophobicContact CG1-CG2 3.95Å
901W93.8Very high89.1Confident53 Ų5367.1 Ų67.120%0.20135%0.348CS..EExtended strand (participates in β ladder)trans-104.9114171.3-65.297000109.7Y564 I591 V608 V710 I711 R712Y564-W901 AromaticContact CD1-CH2 3.47Å; Y564-W901 HydrophobicContact CD1-CH2 3.47Å; Y564-W901 VanDerWaalsContact CD1-CH2 3.47Å; Y564-W901 HydrophobicContact CD1-CZ2 4.42Å; Y564-W901 AromaticContact CD1-CZ3 3.77Å; Y564-W901 HydrophobicContact CD1-CZ3 3.77Å; Y564-W901 HydrophobicContact CD2-CH2 4.24Å; Y564-W901 HydrophobicContact CD2-CZ3 4Å; Y564-W901 AromaticContact CE1-CH2 3.76Å; Y564-W901 HydrophobicContact CE1-CH2 3.76Å; Y564-W901 HydrophobicContact CE1-CZ3 4.41Å; Y564-W901 AromaticContact CG-CH2 3.74Å; Y564-W901 HydrophobicContact CG-CH2 3.74Å; Y564-W901 AromaticContact CG-CZ3 3.53Å; Y564-W901 HydrophobicContact CG-CZ3 3.53Å; I591-W901 HydrophobicContact CD1-CB 3.75Å; I591-W901 HydrophobicContact CD1-CD2 4.3Å; I591-W901 HydrophobicContact CD1-CG 3.72Å; I591-W901 HydrophobicContact CG1-CB 4.44Å; I591-W901 HydrophobicContact CG1-CD2 4.34Å; I591-W901 HydrophobicContact CG1-CG 3.91Å; I591-W901 HydrophobicContact CG2-CD2 3.92Å; I591-W901 HydrophobicContact CG2-CE3 4.21Å; I591-W901 HydrophobicContact CG2-CG 4.37Å; I591-W901 HydrophobicContact CG2-CH2 4.33Å; I591-W901 HydrophobicContact CG2-CZ2 4.06Å; I591-W901 HydrophobicContact CG2-CZ3 4.4Å; V608-W901 HydrophobicContact CG1-CZ2 4Å; V710-W901 HydrophobicContact CB-CB 4.37Å; V710-W901 HydrophobicContact CB-CE3 4.26Å; V710-W901 HydrophobicContact CG2-CB 4.45Å; V710-W901 HydrophobicContact CG2-CD2 4.41Å; V710-W901 HydrophobicContact CG2-CE3 3.72Å; V710-W901 HydrophobicContact CG2-CZ3 4.37Å; I711-W901 WeakPolarHBondContact O-CA 3.48Å; R712-W901 HydrophobicContact CB-CD2 4.33Å; R712-W901 HydrophobicContact CB-CE3 3.97Å; R712-W901 HydrophobicContact CB-CH2 3.91Å; R712-W901 HydrophobicContact CB-CZ2 4.25Å; R712-W901 HydrophobicContact CB-CZ3 3.76Å
902I93.6Very high88.7Confident13 Ų1369.2 Ų69.27%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-108155.9179.762.5156.2000111V710 I711 Q713 Y828 I900 S904V710-I902 CarbonylContact C-O 3.45Å; V710-I902 WeakPolarHBondContact CA-O 3.15Å; V710-I902 VanDerWaalsContact CB-O 3.31Å; V710-I902 WeakPolarHBondContact CB-O 3.27Å; I711-I902 HydrophobicContact CD1-CD1 4.15Å; I711-I902 HydrophobicContact CD1-CG1 4.33Å; I711-I902 HydrophobicContact CG1-CD1 4.04Å; I711-I902 HydrophobicContact CG1-CG1 3.65Å; I711-I902 PolarHBondContact N-O 2.9Å; I711-I902 PolarHBondContact O-N 3.41Å; Q713-I902 HydrophobicContact CB-CD1 4.3Å; Q713-I902 HydrophobicContact CB-CG1 4.2Å; Y828-I902 HydrophobicContact CD1-CB 4.27Å; Y828-I902 HydrophobicContact CD1-CG2 3.61Å; Y828-I902 HydrophobicContact CD2-CG2 3.79Å; Y828-I902 HydrophobicContact CE1-CB 3.88Å; Y828-I902 HydrophobicContact CE1-CG2 3.62Å; Y828-I902 HydrophobicContact CE2-CG2 3.81Å; Y828-I902 HydrophobicContact CG-CG2 3.69Å; I900-I902 HydrophobicContact CD1-CG2 3.46Å; I900-I902 VanDerWaalsContact CD1-CG2 3.46Å; I900-I902 HydrophobicContact CG1-CG2 3.95Å; I902-S904 PolarHBondContact O-N 2.85Å
903P91.9Very high88.2Confident42 Ų4273.3 Ų73.327%0.27338%0.38SS..EExtended strand (participates in β ladder)trans-55133.6173.4-23.733.2000111.9E708E708-P903 HydrophobicContact CG-CB 4.45Å; E708-P903 WeakPolarHBondContact OE1-CB 3.39Å; E708-P903 WeakPolarHBondContact OE1-CG 3.39Å
904S89.8Confident87.7Confident23 Ų2370.5 Ų70.516%0.16137%0.37CS..  trans-80.5144.7174.7-172.10000111P709 I902 E906P709-S904 WeakPolarHBondContact O-CB 3.21Å; P709-S904 PolarHBondContact O-N 3.17Å; I902-S904 PolarHBondContact O-N 2.85Å; S904-E906 PolarHBondContact OG-N 2.84Å; S904-E906 VanDerWaalsContact OG-N 3.17Å
905P81.3Confident87.4Confident119 Ų11967.6 Ų67.677%0.77336%0.36SS*.SBendtrans-73.2-14.9166.631.8-35.8000113
906E77.5Confident87Confident106 Ų10669.1 Ų69.150%0.49537%0.37SS..SBendtrans-74.8141.2172.8-58.3-158.714200110.7R561 P709 S904R561-E906 IonicContact CZ-OE1 2.73Å; R561-E906 IonicContact NH1-OE1 3.85Å; R561-E906 PolarHBondContact NH1-OE1 2.82Å; R561-E906 IonicContact NH1-OE2 3.13Å; R561-E906 PolarHBondContact NH1-OE2 2.81Å; R561-E906 IonicContact NH2-OE1 3.16Å; P709-E906 WeakPolarHBondContact CG-O 3.2Å; S904-E906 PolarHBondContact OG-N 2.84Å; S904-E906 VanDerWaalsContact OG-N 3.17Å
907K73.9Confident86.5Confident202 Ų20270.8 Ų70.888%0.87837%0.373SS*.  trans-95.9144.4179.4-67.3-172.1176.3-173.20112
908L70.1Confident86.3Confident74 Ų7474.6 Ų74.639%0.38738%0.379SS..  trans-810162.5-63.5172.6000111.1L563 V565 W603 K623 Y707 P709L563-L908 HydrophobicContact CD1-CD2 3.59Å; L563-L908 HydrophobicContact CD2-CD2 4.05Å; V565-L908 HydrophobicContact CG1-CD1 3.73Å; V565-L908 HydrophobicContact CG1-CD2 3.91Å; V565-L908 HydrophobicContact CG1-CG 4.4Å; W603-L908 HydrophobicContact CH2-CD2 4.43Å; K623-L908 HydrophobicContact CD-CB 3.72Å; K623-L908 HydrophobicContact CD-CD1 4.32Å; K623-L908 PolarHBondContact NZ-O 2.65Å; Y707-L908 WeakPolarHBondContact O-CD1 3.43Å; P709-L908 HydrophobicContact CB-CD1 4.31Å; P709-L908 HydrophobicContact CB-CD2 4.24Å; P709-L908 HydrophobicContact CB-CG 3.87Å; P709-L908 HydrophobicContact CG-CD1 4.38Å; P709-L908 HydrophobicContact CG-CG 3.98Å

Retrieved 908 of 908 residues in 267.4 ms (Link to these results)

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