C4QMH8_SCHMA Loading...

DNA-directed rna polymerase III 25 kD polypeptide, putative

AlphaFold DB , UniProt , Accession C4QMH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M86.4Confident86.2Confident156 Ų15673.9 Ų73.977%0.76837%0.374SS*.  0128.80-178.7176.5-179.500106.5E48 T62 V63M1-E48 HydrophobicContact CE-CG 4.49Å; M1-T62 HydrophobicContact CE-CG2 3.18Å; M1-T62 HydrophobicContact CG-CG2 3.43Å; M1-T62 VanDerWaalsContact CG-CG2 3.43Å; M1-T62 HydrophobicContact SD-CG2 4.06Å; M1-V63 CarbonylContact C-O 3.59Å; M1-V63 VanDerWaalsContact CA-O 3.25Å; M1-V63 WeakPolarHBondContact CA-O 3.32Å
2D90.4Very high85.6Confident25 Ų2578.9 Ų78.913%0.13442%0.418CS..EExtended strand (participates in β ladder)trans-148.4157.4179.6-163.810.9000110.1R26 F27 V63 F65D2-R26 VanDerWaalsContact CG-NH1 3.26Å; D2-R26 VanDerWaalsContact CG-NH2 3.29Å; D2-R26 IonicContact OD1-CZ 3.77Å; D2-R26 IonicContact OD1-NH1 2.66Å; D2-R26 PolarHBondContact OD1-NH1 3.07Å; D2-R26 IonicContact OD1-NH2 3.63Å; D2-R26 PolarHBondContact OD1-NH2 2.93Å; D2-R26 WeakPolarHBondContact OD2-CD 3.42Å; D2-R26 IonicContact OD2-CZ 3.42Å; D2-R26 IonicContact OD2-NE 3.95Å; D2-R26 PolarHBondContact OD2-NE 3.19Å; D2-R26 VanDerWaalsContact OD2-NE 3.14Å; D2-R26 IonicContact OD2-NH1 2.81Å; D2-R26 PolarHBondContact OD2-NH1 3.38Å; D2-R26 IonicContact OD2-NH2 3.3Å; D2-R26 PolarHBondContact OD2-NH2 3.04Å; D2-F27 HydrophobicContact CB-CE2 4.22Å; D2-F27 HydrophobicContact CB-CZ 4.07Å; D2-F27 WeakPolarHBondContact OD2-CE2 3.43Å; D2-F27 WeakPolarHBondContact OD2-CZ 3.07Å; D2-V63 PolarHBondContact N-O 2.79Å; D2-V63 PolarHBondContact O-N 2.8Å; D2-F65 HydrophobicContact CB-CE1 3.74Å; D2-F65 HydrophobicContact CB-CZ 4.17Å
3T90.9Very high85.3Confident48 Ų4877.9 Ų77.929%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-94.8123.4178.2-54.30000109.8R26 Y60 T61T3-R26 PolarHBondContact O-NH1 2.83Å; T3-Y60 HydrophobicContact CG2-CD1 3.95Å; T3-Y60 HydrophobicContact CG2-CG 4.48Å; T3-T61 WeakPolarHBondContact CA-O 3.31Å
4V91.4Very high85.4Confident6 Ų679.2 Ų79.24%0.03643%0.428CS..EExtended strand (participates in β ladder)trans-98.3135.4172.7179.30000108.2I6 M19 E22 L23 T61 V63V4-I6 HydrophobicContact CG1-CG1 4.19Å; V4-M19 HydrophobicContact CG1-CG 4.47Å; V4-E22 HydrophobicContact CG1-CB 3.7Å; V4-E22 HydrophobicContact CG1-CG 4.04Å; V4-L23 HydrophobicContact CG2-CD2 3.72Å; V4-L23 HydrophobicContact CG2-CG 3.9Å; V4-T61 PolarHBondContact N-O 3.18Å; V4-T61 PolarHBondContact O-N 2.86Å; V4-V63 HydrophobicContact CG2-CG2 4.08Å
5V89.5Confident85.3Confident52 Ų5278.1 Ų78.132%0.31542%0.42SS..EExtended strand (participates in β ladder)trans-106.1113.1179.5-175.10000109.1A58 Y59 Y60V5-A58 HydrophobicContact CG1-CB 3.74Å; V5-Y59 WeakPolarHBondContact CA-O 3.48Å; V5-Y60 HydrophobicContact CB-CE1 4.45Å; V5-Y60 HydrophobicContact CG1-CE1 4.21Å; V5-Y60 HydrophobicContact CG1-CE2 4.03Å; V5-Y60 HydrophobicContact CG2-CD1 3.68Å; V5-Y60 HydrophobicContact CG2-CE1 3.41Å; V5-Y60 VanDerWaalsContact CG2-CE1 3.41Å; V5-Y60 HydrophobicContact CG2-CG 4.42Å
6I87.5Confident85.4Confident3 Ų380.9 Ų80.92%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-102.9115.2-179.5-54.1176.1000108.7V4 M15 I18 M19 Y59V4-I6 HydrophobicContact CG1-CG1 4.19Å; I6-M15 HydrophobicContact CD1-SD 3.94Å; I6-M15 HydrophobicContact CG2-SD 4.17Å; I6-I18 HydrophobicContact CG1-CG2 4.39Å; I6-I18 HydrophobicContact CG2-CG2 4.33Å; I6-M19 HydrophobicContact CD1-CE 3.64Å; I6-M19 HydrophobicContact CD1-CG 4.09Å; I6-Y59 PolarHBondContact N-O 3.08Å; I6-Y59 PolarHBondContact O-N 2.68Å
7K87.9Confident85.7Confident133 Ų13382.1 Ų82.158%0.57843%0.43SS*.  trans-71.3151.4177.8-62.5177.9-179.5171.40111.1N9 Y10K7-N9 PolarHBondContact O-N 3.24Å; K7-Y10 HydrophobicContact CB-CD2 3.98Å; K7-Y10 HydrophobicContact CB-CE2 4.36Å; K7-Y10 PolarHBondContact O-N 3.37Å
8P84.9Confident86Confident59 Ų5978.2 Ų78.238%0.38341%0.41SS..G310 helixtrans-55-30.9-177.7-29.336000115.6Y10 I11 G57P8-Y10 PolarHBondContact O-N 2.93Å; P8-Y10 VanDerWaalsContact O-N 3.12Å; P8-I11 HydrophobicContact CB-CD1 4.09Å; P8-I11 WeakPolarHBondContact O-CD1 3.3Å; P8-I11 VanDerWaalsContact O-CG1 3.26Å; P8-I11 WeakPolarHBondContact O-CG1 3.46Å; P8-I11 PolarHBondContact O-N 3.39Å; P8-G57 WeakPolarHBondContact CG-O 3.26Å
9N84.4Confident86.2Confident149 Ų14974.8 Ų74.880%0.79739%0.392SS*.G310 helixtrans-63.1-19.6-179.9-65.1-4000113.6K7K7-N9 PolarHBondContact O-N 3.24Å
10Y81.2Confident86.5Confident115 Ų11574.3 Ų74.345%0.45139%0.387SS..G310 helixtrans-99.1-0.2-176.2-67.4-68.4000113.3K7 P8 C12 S13 I18K7-Y10 HydrophobicContact CB-CD2 3.98Å; K7-Y10 HydrophobicContact CB-CE2 4.36Å; K7-Y10 PolarHBondContact O-N 3.37Å; P8-Y10 PolarHBondContact O-N 2.93Å; P8-Y10 VanDerWaalsContact O-N 3.12Å; Y10-C12 VanDerWaalsContact C-N 3.28Å; Y10-C12 PolarHBondContact O-N 2.88Å; Y10-S13 WeakPolarHBondContact O-CB 3.39Å; Y10-S13 PolarHBondContact O-N 3.07Å; Y10-S13 VanDerWaalsContact O-N 3.12Å; Y10-I18 HydrophobicContact CD1-CD1 4.46Å; Y10-I18 HydrophobicContact CG-CD1 4.39Å; Y10-I18 WeakPolarHBondContact O-CD1 3.38Å
11I73.4Confident86.8Confident67 Ų6776.1 Ų76.134%0.34439%0.394SS..THydrogen-bonded Turntrans-62.1-33.7-175.3-65.2165.5000112.7P8 S13 M15 Y59P8-I11 HydrophobicContact CB-CD1 4.09Å; P8-I11 WeakPolarHBondContact O-CD1 3.3Å; P8-I11 VanDerWaalsContact O-CG1 3.26Å; P8-I11 WeakPolarHBondContact O-CG1 3.46Å; P8-I11 PolarHBondContact O-N 3.39Å; I11-S13 VanDerWaalsContact C-N 3.28Å; I11-S13 PolarHBondContact O-N 2.7Å; I11-M15 HydrophobicContact CB-CE 4.24Å; I11-M15 HydrophobicContact CG1-CE 4.36Å; I11-M15 HydrophobicContact CG2-CE 4.09Å; I11-Y59 HydrophobicContact CD1-CD2 4.25Å; I11-Y59 HydrophobicContact CD1-CE2 3.54Å; I11-Y59 HydrophobicContact CG1-CD2 4.27Å; I11-Y59 HydrophobicContact CG1-CE2 3.93Å
12C78.8Confident87Confident134 Ų13472.9 Ų72.991%0.90538%0.377SS*.THydrogen-bonded Turntrans-864.8-179.2-64.60000113.9Y10Y10-C12 VanDerWaalsContact C-N 3.28Å; Y10-C12 PolarHBondContact O-N 2.88Å
13S82.3Confident87.2Confident66 Ų6671.9 Ų71.946%0.46237%0.371SS..SBendtrans-100174.6177.6-62.90000110.7Y10 I11 M15Y10-S13 WeakPolarHBondContact O-CB 3.39Å; Y10-S13 PolarHBondContact O-N 3.07Å; Y10-S13 VanDerWaalsContact O-N 3.12Å; I11-S13 VanDerWaalsContact C-N 3.28Å; I11-S13 PolarHBondContact O-N 2.7Å; S13-M15 PolarHBondContact O-N 3.42Å
14D86.1Confident87.3Confident96 Ų9671.8 Ų71.851%0.51337%0.369SS..  trans-66.8105.6175-171.2-15.9000109.8K16 E17 I18D14-K16 PolarHBondContact O-N 2.87Å; D14-K16 WeakPolarHBondContact OD1-CB 3.4Å; D14-K16 PolarHBondContact OD1-N 2.85Å; D14-E17 HydrophobicContact CB-CB 3.97Å; D14-E17 PolarHBondContact O-N 2.78Å; D14-E17 VanDerWaalsContact O-N 3.1Å; D14-I18 WeakPolarHBondContact O-CD1 3.29Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 2.9Å; D14-I18 VanDerWaalsContact O-N 3.07Å
15M84.9Confident87.4Confident63 Ų6376.1 Ų76.131%0.3140%0.399SS..Hα-helixtrans-54.7-35.4179.7-72.2-67.4-16400112.1I6 I11 S13 M19I6-M15 HydrophobicContact CD1-SD 3.94Å; I6-M15 HydrophobicContact CG2-SD 4.17Å; I11-M15 HydrophobicContact CB-CE 4.24Å; I11-M15 HydrophobicContact CG1-CE 4.36Å; I11-M15 HydrophobicContact CG2-CE 4.09Å; S13-M15 PolarHBondContact O-N 3.42Å; M15-M19 VanDerWaalsContact O-CG 3.24Å; M15-M19 WeakPolarHBondContact O-CG 3.18Å; M15-M19 PolarHBondContact O-N 3.19Å
16K87Confident87.5Confident123 Ų12379.1 Ų79.154%0.53541%0.405SS..Hα-helixtrans-67.1-46.5179.5-175.4-175.2168.6-164.80110.3D14 I18 M19 E20D14-K16 PolarHBondContact O-N 2.87Å; D14-K16 WeakPolarHBondContact OD1-CB 3.4Å; D14-K16 PolarHBondContact OD1-N 2.85Å; K16-I18 VanDerWaalsContact C-N 3.32Å; K16-I18 PolarHBondContact O-N 2.96Å; K16-M19 PolarHBondContact O-N 2.79Å; K16-E20 WeakPolarHBondContact CE-OE1 3.08Å; K16-E20 IonicContact NZ-OE1 2.92Å; K16-E20 WeakPolarHBondContact O-CG 3.22Å; K16-E20 PolarHBondContact O-N 2.98Å
17E90.1Very high87.7Confident101 Ų10180.8 Ų80.847%0.47241%0.412SS..Hα-helixtrans-60.4-42.7178.5-171.6-178.4176.600111.4D14 E20 Q21D14-E17 HydrophobicContact CB-CB 3.97Å; D14-E17 PolarHBondContact O-N 2.78Å; D14-E17 VanDerWaalsContact O-N 3.1Å; E17-E20 PolarHBondContact O-N 2.94Å; E17-Q21 WeakPolarHBondContact O-CB 3.49Å; E17-Q21 VanDerWaalsContact O-CG 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.46Å; E17-Q21 PolarHBondContact O-N 3.36Å; E17-Q21 PolarHBondContact OE1-NE2 3.39Å
18I90Very high87.9Confident12 Ų1276 Ų766%0.06240%0.395CS..Hα-helixtrans-62.4-45.7176.8-64.8154.1000111I6 Y10 D14 K16 E20 Q21 E22I6-I18 HydrophobicContact CG1-CG2 4.39Å; I6-I18 HydrophobicContact CG2-CG2 4.33Å; Y10-I18 HydrophobicContact CD1-CD1 4.46Å; Y10-I18 HydrophobicContact CG-CD1 4.39Å; Y10-I18 WeakPolarHBondContact O-CD1 3.38Å; D14-I18 WeakPolarHBondContact O-CD1 3.29Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 2.9Å; D14-I18 VanDerWaalsContact O-N 3.07Å; K16-I18 VanDerWaalsContact C-N 3.32Å; K16-I18 PolarHBondContact O-N 2.96Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 2.87Å; I18-Q21 PolarHBondContact O-N 2.88Å; I18-E22 HydrophobicContact CG2-CG 4.31Å; I18-E22 WeakPolarHBondContact O-CB 3.4Å; I18-E22 WeakPolarHBondContact O-CG 3.45Å; I18-E22 PolarHBondContact O-N 3.45Å
19M90.6Very high88.3Confident13 Ų1378.2 Ų78.26%0.06441%0.412CS..Hα-helixtrans-60.5-42.8176.5-72.2176.8-170.700111.5V4 I6 M15 K16 L23 I44 V47 T61 V63V4-M19 HydrophobicContact CG1-CG 4.47Å; I6-M19 HydrophobicContact CD1-CE 3.64Å; I6-M19 HydrophobicContact CD1-CG 4.09Å; M15-M19 VanDerWaalsContact O-CG 3.24Å; M15-M19 WeakPolarHBondContact O-CG 3.18Å; M15-M19 PolarHBondContact O-N 3.19Å; K16-M19 PolarHBondContact O-N 2.79Å; M19-L23 VanDerWaalsContact O-CB 3.3Å; M19-L23 WeakPolarHBondContact O-CB 3.06Å; M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.83Å; M19-I44 HydrophobicContact CB-CD1 3.92Å; M19-V47 HydrophobicContact CE-CG1 3.88Å; M19-V47 HydrophobicContact SD-CG1 4.18Å; M19-V47 HydrophobicContact SD-CG2 4Å; M19-T61 HydrophobicContact CE-CG2 3.75Å; M19-V63 HydrophobicContact SD-CG2 4.12Å
20E92.7Very high88.7Confident64 Ų6476.3 Ų76.330%0.29940%0.397SS..Hα-helixtrans-63.3-42.3177.2-69.5-179172.100111.8K16 E17 I18 N24 L41 I44K16-E20 WeakPolarHBondContact CE-OE1 3.08Å; K16-E20 IonicContact NZ-OE1 2.92Å; K16-E20 WeakPolarHBondContact O-CG 3.22Å; K16-E20 PolarHBondContact O-N 2.98Å; E17-E20 PolarHBondContact O-N 2.94Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 2.87Å; E20-N24 VanDerWaalsContact O-CB 3.27Å; E20-N24 WeakPolarHBondContact O-CB 3.39Å; E20-N24 PolarHBondContact O-N 2.8Å; E20-N24 PolarHBondContact O-ND2 2.89Å; E20-L41 HydrophobicContact CB-CD2 3.88Å; E20-L41 HydrophobicContact CG-CD2 3.67Å; E20-I44 HydrophobicContact CG-CD1 3.89Å
21Q92Very high89.2Confident113 Ų11372.9 Ų72.953%0.52839%0.388SS..Hα-helixtrans-65.1-46.4177.2-73.3179.15.100112.2E17 I18 N24 S25E17-Q21 WeakPolarHBondContact O-CB 3.49Å; E17-Q21 VanDerWaalsContact O-CG 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.46Å; E17-Q21 PolarHBondContact O-N 3.36Å; E17-Q21 PolarHBondContact OE1-NE2 3.39Å; I18-Q21 PolarHBondContact O-N 2.88Å; Q21-N24 PolarHBondContact O-N 2.82Å; Q21-S25 VanDerWaalsContact O-CB 3.29Å; Q21-S25 WeakPolarHBondContact O-CB 3.31Å; Q21-S25 PolarHBondContact O-N 3.07Å
22E91.8Very high90Very high89 Ų8972.5 Ų72.542%0.41639%0.386SS..Hα-helixtrans-63.9-44.1178.2-74-64.1146.700111.6V4 I18 S25 R26V4-E22 HydrophobicContact CG1-CB 3.7Å; V4-E22 HydrophobicContact CG1-CG 4.04Å; I18-E22 HydrophobicContact CG2-CG 4.31Å; I18-E22 WeakPolarHBondContact O-CB 3.4Å; I18-E22 WeakPolarHBondContact O-CG 3.45Å; I18-E22 PolarHBondContact O-N 3.45Å; E22-S25 PolarHBondContact O-N 3.42Å; E22-R26 WeakPolarHBondContact O-CB 3.39Å; E22-R26 PolarHBondContact O-N 3.15Å
23L93.9Very high90.6Very high3 Ų370.7 Ų70.72%0.01636%0.361CS..Hα-helixtrans-63.7-46.4176.4-72.1172.6000111.6V4 M19 R26 F27 L41 I44 V63 F65V4-L23 HydrophobicContact CG2-CD2 3.72Å; V4-L23 HydrophobicContact CG2-CG 3.9Å; M19-L23 VanDerWaalsContact O-CB 3.3Å; M19-L23 WeakPolarHBondContact O-CB 3.06Å; M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.83Å; L23-R26 PolarHBondContact O-N 3.37Å; L23-F27 HydrophobicContact CD2-CD2 4.31Å; L23-F27 HydrophobicContact CD2-CE2 4.03Å; L23-F27 WeakPolarHBondContact O-CD2 3.29Å; L23-F27 PolarHBondContact O-N 2.84Å; L23-L41 HydrophobicContact CB-CD1 4.32Å; L23-L41 HydrophobicContact CB-CD2 4.3Å; L23-L41 HydrophobicContact CD1-CD1 4.01Å; L23-L41 HydrophobicContact CD1-CD2 4.21Å; L23-I44 HydrophobicContact CD1-CD1 4.35Å; L23-I44 HydrophobicContact CD1-CG1 4.2Å; L23-V63 HydrophobicContact CD1-CG1 4.22Å; L23-F65 HydrophobicContact CD1-CB 4.24Å; L23-F65 HydrophobicContact CD1-CD1 3.95Å; L23-F65 HydrophobicContact CD1-CE1 4.5Å; L23-F65 HydrophobicContact CD1-CG 4Å; L23-F65 HydrophobicContact CD2-CD1 3.82Å; L23-F65 HydrophobicContact CD2-CE1 3.53Å; L23-F65 HydrophobicContact CD2-CE2 4.38Å; L23-F65 HydrophobicContact CD2-CG 4.39Å; L23-F65 HydrophobicContact CD2-CZ 3.84Å
24N93.8Very high91.1Very high46 Ų4673.4 Ų73.425%0.24636%0.364CS..Hα-helixtrans-61.8-47.2177-81.2-42000111.6E20 Q21 R26 F27 C28 L41E20-N24 VanDerWaalsContact O-CB 3.27Å; E20-N24 WeakPolarHBondContact O-CB 3.39Å; E20-N24 PolarHBondContact O-N 2.8Å; E20-N24 PolarHBondContact O-ND2 2.89Å; Q21-N24 PolarHBondContact O-N 2.82Å; N24-R26 PolarHBondContact O-N 3.37Å; N24-F27 PolarHBondContact O-N 2.78Å; N24-C28 VanDerWaalsContact CA-SG 3.59Å; N24-C28 WeakPolarHBondContact O-CB 3.49Å; N24-C28 PolarHBondContact O-N 3.24Å; N24-C28 PolarHBondContact O-SG 3.29Å; N24-C28 PolarHBondContact OD1-SG 3.08Å; N24-L41 WeakPolarHBondContact OD1-CB 3.37Å; N24-L41 PolarHBondContact OD1-N 3.35Å
25S92.4Very high91.4Very high97 Ų9772.1 Ų72.168%0.67836%0.36SS*.Hα-helixtrans-60.3-36.4177.6-175.90000112Q21 E22Q21-S25 VanDerWaalsContact O-CB 3.29Å; Q21-S25 WeakPolarHBondContact O-CB 3.31Å; Q21-S25 PolarHBondContact O-N 3.07Å; E22-S25 PolarHBondContact O-N 3.42Å
26R91.3Very high91.8Very high116 Ų11669.1 Ų69.144%0.43835%0.345SS..Hα-helixtrans-77.5-34.8-178.8-173.4169.7176.7-171.5-15.7113.6D2 T3 E22 L23 N24 K30D2-R26 VanDerWaalsContact CG-NH1 3.26Å; D2-R26 VanDerWaalsContact CG-NH2 3.29Å; D2-R26 IonicContact OD1-CZ 3.77Å; D2-R26 IonicContact OD1-NH1 2.66Å; D2-R26 PolarHBondContact OD1-NH1 3.07Å; D2-R26 IonicContact OD1-NH2 3.63Å; D2-R26 PolarHBondContact OD1-NH2 2.93Å; D2-R26 WeakPolarHBondContact OD2-CD 3.42Å; D2-R26 IonicContact OD2-CZ 3.42Å; D2-R26 IonicContact OD2-NE 3.95Å; D2-R26 PolarHBondContact OD2-NE 3.19Å; D2-R26 VanDerWaalsContact OD2-NE 3.14Å; D2-R26 IonicContact OD2-NH1 2.81Å; D2-R26 PolarHBondContact OD2-NH1 3.38Å; D2-R26 IonicContact OD2-NH2 3.3Å; D2-R26 PolarHBondContact OD2-NH2 3.04Å; T3-R26 PolarHBondContact O-NH1 2.83Å; E22-R26 WeakPolarHBondContact O-CB 3.39Å; E22-R26 PolarHBondContact O-N 3.15Å; L23-R26 PolarHBondContact O-N 3.37Å; N24-R26 PolarHBondContact O-N 3.37Å; R26-K30 WeakPolarHBondContact O-CD 3.08Å; R26-K30 WeakPolarHBondContact O-CE 3.47Å; R26-K30 PolarHBondContact O-NZ 2.82Å
27F92.5Very high92.2Very high37 Ų3764 Ų6416%0.16232%0.323CS..Hα-helixtrans-110.5-31.3-171.7-71.8-80.9000115.1D2 L23 N24 K30 I32 C38 F65 I67D2-F27 HydrophobicContact CB-CE2 4.22Å; D2-F27 HydrophobicContact CB-CZ 4.07Å; D2-F27 WeakPolarHBondContact OD2-CE2 3.43Å; D2-F27 WeakPolarHBondContact OD2-CZ 3.07Å; L23-F27 HydrophobicContact CD2-CD2 4.31Å; L23-F27 HydrophobicContact CD2-CE2 4.03Å; L23-F27 WeakPolarHBondContact O-CD2 3.29Å; L23-F27 PolarHBondContact O-N 2.84Å; N24-F27 PolarHBondContact O-N 2.78Å; F27-K30 WeakPolarHBondContact O-CB 3.4Å; F27-K30 PolarHBondContact O-N 2.88Å; F27-I32 HydrophobicContact CD1-CD1 4.24Å; F27-C38 WeakPolarHBondContact O-CB 3.15Å; F27-F65 HydrophobicContact CD2-CE2 4.17Å; F27-F65 AromaticContact CD2-CZ 3.97Å; F27-F65 HydrophobicContact CD2-CZ 3.97Å; F27-F65 HydrophobicContact CE2-CE1 4.27Å; F27-F65 HydrophobicContact CE2-CE2 4.09Å; F27-F65 AromaticContact CE2-CZ 3.42Å; F27-F65 HydrophobicContact CE2-CZ 3.42Å; F27-F65 VanDerWaalsContact CE2-CZ 3.42Å; F27-F65 AromaticContact CZ-CZ 3.73Å; F27-F65 HydrophobicContact CZ-CZ 3.73Å; F27-I67 HydrophobicContact CB-CD1 3.34Å; F27-I67 HydrophobicContact CG-CD1 4.12Å
28C92.3Very high92.5Very high32 Ų3259.1 Ų59.122%0.21630%0.301CS..THydrogen-bonded Turntrans-61146.2-176-640000112.1N24 K30 I39N24-C28 VanDerWaalsContact CA-SG 3.59Å; N24-C28 WeakPolarHBondContact O-CB 3.49Å; N24-C28 PolarHBondContact O-N 3.24Å; N24-C28 PolarHBondContact O-SG 3.29Å; N24-C28 PolarHBondContact OD1-SG 3.08Å; C28-K30 PolarHBondContact O-N 3.13Å; C28-K30 VanDerWaalsContact O-N 3.09Å; C28-I39 PolarHBondContact SG-O 3.39Å
29S91.8Very high92.7Very high106 Ų10661.9 Ų61.974%0.74132%0.315SS*.THydrogen-bonded Turntrans60.113.5-177.8-52.70000114.8C38S29-C38 PolarHBondContact N-O 2.81Å
30K92.9Very high92.9Very high110 Ų11063.7 Ų63.748%0.47833%0.328SS..PPolyproline II helixtrans-100.8139.9172.9-61.4-171.8-176.1170.60110.9R26 F27 C28 C38R26-K30 WeakPolarHBondContact O-CD 3.08Å; R26-K30 WeakPolarHBondContact O-CE 3.47Å; R26-K30 PolarHBondContact O-NZ 2.82Å; F27-K30 WeakPolarHBondContact O-CB 3.4Å; F27-K30 PolarHBondContact O-N 2.88Å; C28-K30 PolarHBondContact O-N 3.13Å; C28-K30 VanDerWaalsContact O-N 3.09Å; K30-C38 WeakPolarHBondContact O-CB 3.41Å; K30-C38 PolarHBondContact O-N 2.88Å
31V92.5Very high93Very high43 Ų4361.5 Ų61.526%0.26132%0.319SS..EExtended strand (participates in β ladder)trans-87.9122171.9175.30000108.4L37 W150 P185V31-L37 HydrophobicContact CG2-CB 4.41Å; V31-L37 HydrophobicContact CG2-CD1 3.91Å; V31-W150 HydrophobicContact CG1-CZ3 3.81Å; V31-P185 HydrophobicContact CB-CB 4.31Å; V31-P185 HydrophobicContact CB-CG 3.83Å; V31-P185 HydrophobicContact CG1-CB 4.03Å; V31-P185 HydrophobicContact CG1-CG 4.01Å; V31-P185 HydrophobicContact CG2-CG 4.04Å
32I91.3Very high93.1Very high59 Ų5964 Ų6430%0.30332%0.324SS..EExtended strand (participates in β ladder)trans-98.5123.7170.2-60177.4000107.6F27 K34 V35 G36 C38 W150F27-I32 HydrophobicContact CD1-CD1 4.24Å; I32-K34 PolarHBondContact O-N 2.82Å; I32-V35 HydrophobicContact CB-CB 3.84Å; I32-V35 HydrophobicContact CB-CG1 4.29Å; I32-V35 HydrophobicContact CB-CG2 4.38Å; I32-V35 HydrophobicContact CG2-CB 3.71Å; I32-V35 HydrophobicContact CG2-CG1 4.37Å; I32-V35 HydrophobicContact CG2-CG2 3.67Å; I32-V35 PolarHBondContact O-N 3.39Å; I32-G36 PolarHBondContact N-O 2.82Å; I32-G36 PolarHBondContact O-N 2.94Å; I32-G36 VanDerWaalsContact O-N 3.09Å; I32-C38 WeakPolarHBondContact CD1-SG 3.26Å; I32-W150 VanDerWaalsContact O-CZ3 3.29Å; I32-W150 WeakPolarHBondContact O-CZ3 3.35Å
33Y91.4Very high93.3Very high95 Ų9562 Ų6237%0.37332%0.315SS..THydrogen-bonded Turntrans-52.7128.4-178.6-176-99.8000111.7V35 W150 D152Y33-V35 PolarHBondContact O-N 3.15Å; Y33-V35 VanDerWaalsContact O-N 3.13Å; Y33-W150 HydrophobicContact CD2-CB 4.09Å; Y33-W150 HydrophobicContact CD2-CE3 4.15Å; Y33-W150 HydrophobicContact CE2-CB 3.58Å; Y33-W150 HydrophobicContact CE2-CG 4.44Å; Y33-D152 HydrophobicContact CE2-CB 4.22Å
34K91Very high93.3Very high123 Ų12363.6 Ų63.654%0.53532%0.324SS..THydrogen-bonded Turntrans5913.7-176.5-68.3179.5176.5171.80115.8I32 R71 W150I32-K34 PolarHBondContact O-N 2.82Å; K34-R71 PolarHBondContact O-NH1 3.43Å; K34-W150 HydrophobicContact CG-CD2 4.46Å; K34-W150 HydrophobicContact CG-CG 4.44Å
35V92.8Very high93.4Very high69 Ų6966.3 Ų66.342%0.41834%0.338SS..THydrogen-bonded Turntrans-116.3-51.5177.6172.30000111.5I32 Y33 C69 R71I32-V35 HydrophobicContact CB-CB 3.84Å; I32-V35 HydrophobicContact CB-CG1 4.29Å; I32-V35 HydrophobicContact CB-CG2 4.38Å; I32-V35 HydrophobicContact CG2-CB 3.71Å; I32-V35 HydrophobicContact CG2-CG1 4.37Å; I32-V35 HydrophobicContact CG2-CG2 3.67Å; I32-V35 PolarHBondContact O-N 3.39Å; Y33-V35 PolarHBondContact O-N 3.15Å; Y33-V35 VanDerWaalsContact O-N 3.13Å; V35-C69 HydrophobicContact CG1-CB 4.5Å; V35-R71 WeakPolarHBondContact O-CD 3.4Å
36G94.1Very high93.4Very high0 Ų067 Ų670%033%0.329CS..EExtended strand (participates in β ladder)trans141.7-178.417900000113.3I32 F70I32-G36 PolarHBondContact N-O 2.82Å; I32-G36 PolarHBondContact O-N 2.94Å; I32-G36 VanDerWaalsContact O-N 3.09Å; G36-F70 WeakPolarHBondContact CA-O 3.4Å
37L95.2Very high93.5Very high15 Ų1564.9 Ų64.98%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-77.9118.1167.117471.3000109.3V31 I39 C69 F70 F96 F97V31-L37 HydrophobicContact CG2-CB 4.41Å; V31-L37 HydrophobicContact CG2-CD1 3.91Å; L37-I39 HydrophobicContact CD2-CD1 3.78Å; L37-I39 HydrophobicContact CG-CD1 4.01Å; L37-I39 PolarHBondContact O-N 3.37Å; L37-C69 CarbonylContact O-C 3.58Å; L37-C69 VanDerWaalsContact O-CA 3.24Å; L37-C69 WeakPolarHBondContact O-CA 3.47Å; L37-F70 HydrophobicContact CB-CB 4.3Å; L37-F70 PolarHBondContact N-O 2.75Å; L37-F70 PolarHBondContact O-N 3.47Å; L37-F96 HydrophobicContact CD2-CD2 3.86Å; L37-F96 HydrophobicContact CD2-CE2 4.33Å; L37-F97 HydrophobicContact CD2-CB 4.25Å; L37-F97 HydrophobicContact CD2-CD2 4Å
38C95.7Very high93.5Very high0 Ų066 Ų660%033%0.334CS..EExtended strand (participates in β ladder)trans-69.5123.5174.4-69.70000110.9F27 S29 K30 I32 I67F27-C38 WeakPolarHBondContact O-CB 3.15Å; S29-C38 PolarHBondContact N-O 2.81Å; K30-C38 WeakPolarHBondContact O-CB 3.41Å; K30-C38 PolarHBondContact O-N 2.88Å; I32-C38 WeakPolarHBondContact CD1-SG 3.26Å; C38-I67 HydrophobicContact CB-CD1 3.69Å; C38-I67 HydrophobicContact CB-CG1 4.41Å
39I95Very high93.3Very high70 Ų7073.2 Ų73.236%0.35936%0.364SS..EExtended strand (participates in β ladder)trans-97.1-56.8-177.5-55.7-58.5000110.8C28 L37 V68 F70 F96C28-I39 PolarHBondContact SG-O 3.39Å; L37-I39 HydrophobicContact CD2-CD1 3.78Å; L37-I39 HydrophobicContact CG-CD1 4.01Å; L37-I39 PolarHBondContact O-N 3.37Å; I39-V68 HydrophobicContact CB-CB 4.48Å; I39-V68 HydrophobicContact CB-CG1 4.39Å; I39-V68 PolarHBondContact N-O 2.97Å; I39-F70 HydrophobicContact CD1-CB 3.88Å; I39-F70 HydrophobicContact CG1-CB 4.03Å; I39-F96 HydrophobicContact CD1-CD2 3.83Å; I39-F96 HydrophobicContact CD1-CE2 4.08Å
40S94.4Very high93.1Very high50 Ų5070.3 Ų70.335%0.3534%0.344SS..EExtended strand (participates in β ladder)trans-161.3150.1-176.5-176.60000110.9W42 I67 V68S40-W42 PolarHBondContact O-N 2.83Å; S40-I67 VanDerWaalsContact O-CG1 3.28Å; S40-I67 WeakPolarHBondContact O-CG1 3.4Å; S40-V68 WeakPolarHBondContact O-CB 3.34Å; S40-V68 PolarHBondContact O-N 3.35Å
41L94.9Very high92.9Very high19 Ų1970.8 Ų70.810%0.09935%0.346CS..EExtended strand (participates in β ladder)trans-53.8133.9164.1-175.770.8000109.8E20 L23 N24 I44 F65E20-L41 HydrophobicContact CB-CD2 3.88Å; E20-L41 HydrophobicContact CG-CD2 3.67Å; L23-L41 HydrophobicContact CB-CD1 4.32Å; L23-L41 HydrophobicContact CB-CD2 4.3Å; L23-L41 HydrophobicContact CD1-CD1 4.01Å; L23-L41 HydrophobicContact CD1-CD2 4.21Å; N24-L41 WeakPolarHBondContact OD1-CB 3.37Å; N24-L41 PolarHBondContact OD1-N 3.35Å; L41-I44 HydrophobicContact CD2-CG1 4.33Å; L41-F65 HydrophobicContact CD1-CB 3.78Å; L41-F65 HydrophobicContact CD1-CD2 3.64Å; L41-F65 HydrophobicContact CD1-CG 3.98Å
42W95.2Very high92.8Very high166 Ų16673.2 Ų73.263%0.62936%0.357SS*.EExtended strand (participates in β ladder)trans-91.3-58.3174.7173.8-94.5000110.4S40 R66 V68S40-W42 PolarHBondContact O-N 2.83Å; W42-R66 HydrophobicContact CB-CB 4.1Å; W42-R66 WeakPolarHBondContact CB-O 3.41Å; W42-R66 HydrophobicContact CG-CB 4.43Å; W42-R66 PolarHBondContact N-O 3.39Å; W42-R66 VanDerWaalsContact NE1-NH2 3.12Å; W42-V68 HydrophobicContact CB-CG2 3.96Å; W42-V68 HydrophobicContact CD2-CG2 4.5Å; W42-V68 HydrophobicContact CE3-CG2 3.8Å
43D94.7Very high92.8Very high45 Ų4571.3 Ų71.324%0.24135%0.349CS..EExtended strand (participates in β ladder)trans-160.5164.7174.270.5-10000112.6F65 R66D43-F65 CarbonylContact O-C 3.6Å; D43-F65 VanDerWaalsContact O-CA 3.29Å; D43-F65 WeakPolarHBondContact O-CA 3.22Å; D43-F65 VanDerWaalsContact O-CB 3.3Å; D43-F65 WeakPolarHBondContact O-CB 3.29Å; D43-R66 VanDerWaalsContact CG-NH2 3.34Å; D43-R66 PolarHBondContact N-O 2.81Å; D43-R66 PolarHBondContact O-N 2.85Å; D43-R66 WeakPolarHBondContact OD1-CB 3.46Å; D43-R66 IonicContact OD1-CZ 3.49Å; D43-R66 IonicContact OD1-NE 2.76Å; D43-R66 PolarHBondContact OD1-NE 2.84Å; D43-R66 IonicContact OD1-NH2 3.4Å; D43-R66 PolarHBondContact OD1-NH2 2.76Å; D43-R66 IonicContact OD2-CZ 3.5Å; D43-R66 IonicContact OD2-NE 3.55Å; D43-R66 IonicContact OD2-NH2 2.66Å; D43-R66 PolarHBondContact OD2-NH2 3.16Å
44I94.3Very high92.7Very high37 Ų3774.9 Ų74.919%0.1937%0.374CS..EExtended strand (participates in β ladder)trans-96.6122.4169.6-63.5169.6000108M19 E20 L23 L41 V47 V63 F65M19-I44 HydrophobicContact CB-CD1 3.92Å; E20-I44 HydrophobicContact CG-CD1 3.89Å; L23-I44 HydrophobicContact CD1-CD1 4.35Å; L23-I44 HydrophobicContact CD1-CG1 4.2Å; L41-I44 HydrophobicContact CD2-CG1 4.33Å; I44-V47 HydrophobicContact CG2-CG2 3.75Å; I44-V63 HydrophobicContact CB-CG1 4.46Å; I44-V63 HydrophobicContact CG1-CG1 4.26Å; I44-V63 HydrophobicContact CG2-CG1 3.53Å; I44-F65 HydrophobicContact CG1-CB 4.48Å
45L94.8Very high92.6Very high104 Ų10475.7 Ų75.755%0.54539%0.39SS..EExtended strand (participates in β ladder)trans-88.3-43.9-179.1-64178.6000112.1S64 R66L45-S64 WeakPolarHBondContact CB-O 3.28Å; L45-S64 PolarHBondContact N-O 2.92Å; L45-R66 HydrophobicContact CD1-CG 3.78Å; L45-R66 HydrophobicContact CD2-CG 4.34Å; L45-R66 HydrophobicContact CG-CG 4.08Å
46K93.7Very high92.4Very high112 Ų11276.3 Ų76.349%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-151.7134.6-175.6-170.3177176.4-148.10110.5E48 S64K46-E48 WeakPolarHBondContact CD-OE1 3.4Å; K46-E48 VanDerWaalsContact CE-CD 3.44Å; K46-E48 WeakPolarHBondContact CE-OE1 3.5Å; K46-E48 WeakPolarHBondContact CE-OE2 3.44Å; K46-E48 IonicContact NZ-OE1 2.67Å; K46-E48 PolarHBondContact NZ-OE1 3.44Å; K46-E48 IonicContact NZ-OE2 2.82Å; K46-E48 PolarHBondContact NZ-OE2 3.3Å; K46-S64 PolarHBondContact N-O 3.24Å; K46-S64 VanDerWaalsContact N-O 3.08Å; K46-S64 PolarHBondContact O-N 2.8Å
47V92.4Very high92.1Very high70 Ų7077.8 Ų77.842%0.42441%0.405SS..EExtended strand (participates in β ladder)trans-109.1118.3170.8-177.40000106.5M19 I44 T61 V63M19-V47 HydrophobicContact CE-CG1 3.88Å; M19-V47 HydrophobicContact SD-CG1 4.18Å; M19-V47 HydrophobicContact SD-CG2 4Å; I44-V47 HydrophobicContact CG2-CG2 3.75Å; V47-T61 HydrophobicContact CG1-CG2 3.36Å; V47-V63 HydrophobicContact CG2-CG1 4.47Å
48E92.2Very high91.8Very high60 Ų6077.1 Ų77.128%0.2840%0.402SS..EExtended strand (participates in β ladder)trans-80.3171.7177.2-57.3-6416700111.1M1 K46 S50 T62M1-E48 HydrophobicContact CE-CG 4.49Å; K46-E48 WeakPolarHBondContact CD-OE1 3.4Å; K46-E48 VanDerWaalsContact CE-CD 3.44Å; K46-E48 WeakPolarHBondContact CE-OE1 3.5Å; K46-E48 WeakPolarHBondContact CE-OE2 3.44Å; K46-E48 IonicContact NZ-OE1 2.67Å; K46-E48 PolarHBondContact NZ-OE1 3.44Å; K46-E48 IonicContact NZ-OE2 2.82Å; K46-E48 PolarHBondContact NZ-OE2 3.3Å; E48-S50 PolarHBondContact O-N 3.23Å; E48-T62 WeakPolarHBondContact CB-O 3.4Å; E48-T62 PolarHBondContact N-O 3.07Å
49E88.3Confident91.5Very high184 Ų18480.7 Ų80.786%0.8642%0.416SS*.EExtended strand (participates in β ladder)trans-58.8134172.8-169.6167.8-165.300110.8
50S87.7Confident91.4Very high46 Ų4680.3 Ų80.332%0.32241%0.411SS..EExtended strand (participates in β ladder)trans-94.6139.5-178.4-51.30000109.7E48 Y60 T61E48-S50 PolarHBondContact O-N 3.23Å; S50-Y60 VanDerWaalsContact CA-O 3.29Å; S50-Y60 WeakPolarHBondContact CA-O 3.49Å; S50-T61 WeakPolarHBondContact CB-OG1 3.34Å; S50-T61 VanDerWaalsContact OG-CB 3.32Å; S50-T61 WeakPolarHBondContact OG-CB 3.42Å; S50-T61 WeakPolarHBondContact OG-CG2 3.37Å; S50-T61 PolarHBondContact OG-OG1 2.53Å
51F90.1Very high91.2Very high119 Ų11978 Ų7852%0.52240%0.395SS..EExtended strand (participates in β ladder)trans-106.9148.7169.869.4-89.1000110.4Y60F51-Y60 VanDerWaalsContact CE1-CB 3.46Å; F51-Y60 HydrophobicContact CE1-CG 4.33Å; F51-Y60 HydrophobicContact CE2-CD2 4.11Å; F51-Y60 AromaticContact CE2-CG 3.89Å; F51-Y60 HydrophobicContact CE2-CG 3.89Å; F51-Y60 HydrophobicContact CZ-CD1 4.16Å; F51-Y60 HydrophobicContact CZ-CD2 4.41Å; F51-Y60 AromaticContact CZ-CG 3.73Å; F51-Y60 HydrophobicContact CZ-CG 3.73Å; F51-Y60 PolarHBondContact N-O 2.98Å; F51-Y60 VanDerWaalsContact N-O 3.11Å; F51-Y60 PolarHBondContact O-N 2.83Å
52I90.3Very high91.1Very high94 Ų9478.4 Ų78.448%0.48240%0.398SS..EExtended strand (participates in β ladder)trans-91.3128.7175.5-59.2169.4000107.2A58 Y59I52-A58 WeakPolarHBondContact CA-O 3.49Å; I52-Y59 HydrophobicContact CD1-CE1 3.71Å; I52-Y59 HydrophobicContact CG1-CD1 3.78Å; I52-Y59 HydrophobicContact CG1-CE1 3.47Å; I52-Y59 VanDerWaalsContact CG1-CE1 3.47Å; I52-Y59 HydrophobicContact CG1-CE2 4.44Å; I52-Y59 HydrophobicContact CG1-CG 4.42Å
53S90.1Very high91Very high19 Ų1970.5 Ų70.513%0.13337%0.368CS..  trans-77.4131.2174.4153.60000110.7V55 D56 G57 A58S53-V55 PolarHBondContact O-N 3.35Å; S53-V55 PolarHBondContact OG-N 2.9Å; S53-D56 WeakPolarHBondContact CB-OD1 3.22Å; S53-D56 PolarHBondContact OG-OD1 2.66Å; S53-G57 VanDerWaalsContact O-CA 3.22Å; S53-G57 WeakPolarHBondContact O-CA 3.2Å; S53-G57 PolarHBondContact O-N 2.86Å; S53-A58 PolarHBondContact N-O 2.89Å
54D89.4Confident91Very high170 Ų17069.8 Ų69.891%0.90937%0.367SS*.THydrogen-bonded Turntrans-68.1-16.6178.3-63.4-35.2000113.3
55V90.3Very high91.1Very high141 Ų14169.6 Ų69.686%0.85536%0.364SS*.THydrogen-bonded Turntrans-85.6-42.5-172.9-178.10000111.9S53S53-V55 PolarHBondContact O-N 3.35Å; S53-V55 PolarHBondContact OG-N 2.9Å
56D88.2Confident91.1Very high82 Ų8270.3 Ų70.344%0.43936%0.36SS..THydrogen-bonded Turntrans-126.7-5.9-172.361.7-5.9000113.6S53 A58 Y60S53-D56 WeakPolarHBondContact CB-OD1 3.22Å; S53-D56 PolarHBondContact OG-OD1 2.66Å; D56-A58 PolarHBondContact O-N 3.2Å; D56-A58 PolarHBondContact OD1-N 3.16Å; D56-A58 VanDerWaalsContact OD1-N 3.13Å; D56-Y60 PolarHBondContact OD2-OH 3.42Å
57G88.1Confident91.2Very high30 Ų3067.1 Ų67.131%0.30935%0.348SS..  trans6712.1-176.100000113.9P8 S53P8-G57 WeakPolarHBondContact CG-O 3.26Å; S53-G57 VanDerWaalsContact O-CA 3.22Å; S53-G57 WeakPolarHBondContact O-CA 3.2Å; S53-G57 PolarHBondContact O-N 2.86Å
58A89.1Confident91.3Very high2 Ų266.7 Ų66.72%0.01735%0.345CS..  trans-79.1150.7179.600000111.4V5 I52 S53 D56 Y60V5-A58 HydrophobicContact CG1-CB 3.74Å; I52-A58 WeakPolarHBondContact CA-O 3.49Å; S53-A58 PolarHBondContact N-O 2.89Å; D56-A58 PolarHBondContact O-N 3.2Å; D56-A58 PolarHBondContact OD1-N 3.16Å; D56-A58 VanDerWaalsContact OD1-N 3.13Å; A58-Y60 HydrophobicContact CB-CE2 4.04Å; A58-Y60 WeakPolarHBondContact O-CD2 3.31Å
59Y89.2Confident91.5Very high74 Ų7465.7 Ų65.729%0.2934%0.344SS..EExtended strand (participates in β ladder)trans-85.7122.3174.1-72.2-95.1000109.4V5 I6 I11 I52V5-Y59 WeakPolarHBondContact CA-O 3.48Å; I6-Y59 PolarHBondContact N-O 3.08Å; I6-Y59 PolarHBondContact O-N 2.68Å; I11-Y59 HydrophobicContact CD1-CD2 4.25Å; I11-Y59 HydrophobicContact CD1-CE2 3.54Å; I11-Y59 HydrophobicContact CG1-CD2 4.27Å; I11-Y59 HydrophobicContact CG1-CE2 3.93Å; I52-Y59 HydrophobicContact CD1-CE1 3.71Å; I52-Y59 HydrophobicContact CG1-CD1 3.78Å; I52-Y59 HydrophobicContact CG1-CE1 3.47Å; I52-Y59 VanDerWaalsContact CG1-CE1 3.47Å; I52-Y59 HydrophobicContact CG1-CE2 4.44Å; I52-Y59 HydrophobicContact CG1-CG 4.42Å
60Y91.3Very high91.9Very high63 Ų6358.3 Ų58.325%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-99.4106173.1-73.7-105.7000107.5T3 V5 S50 F51 D56 A58T3-Y60 HydrophobicContact CG2-CD1 3.95Å; T3-Y60 HydrophobicContact CG2-CG 4.48Å; V5-Y60 HydrophobicContact CB-CE1 4.45Å; V5-Y60 HydrophobicContact CG1-CE1 4.21Å; V5-Y60 HydrophobicContact CG1-CE2 4.03Å; V5-Y60 HydrophobicContact CG2-CD1 3.68Å; V5-Y60 HydrophobicContact CG2-CE1 3.41Å; V5-Y60 VanDerWaalsContact CG2-CE1 3.41Å; V5-Y60 HydrophobicContact CG2-CG 4.42Å; S50-Y60 VanDerWaalsContact CA-O 3.29Å; S50-Y60 WeakPolarHBondContact CA-O 3.49Å; F51-Y60 VanDerWaalsContact CE1-CB 3.46Å; F51-Y60 HydrophobicContact CE1-CG 4.33Å; F51-Y60 HydrophobicContact CE2-CD2 4.11Å; F51-Y60 AromaticContact CE2-CG 3.89Å; F51-Y60 HydrophobicContact CE2-CG 3.89Å; F51-Y60 HydrophobicContact CZ-CD1 4.16Å; F51-Y60 HydrophobicContact CZ-CD2 4.41Å; F51-Y60 AromaticContact CZ-CG 3.73Å; F51-Y60 HydrophobicContact CZ-CG 3.73Å; F51-Y60 PolarHBondContact N-O 2.98Å; F51-Y60 VanDerWaalsContact N-O 3.11Å; F51-Y60 PolarHBondContact O-N 2.83Å; D56-Y60 PolarHBondContact OD2-OH 3.42Å; A58-Y60 HydrophobicContact CB-CE2 4.04Å; A58-Y60 WeakPolarHBondContact O-CD2 3.31Å
61T90.9Very high92.3Very high2 Ų261 Ų611%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-109.8124-177.4-51.80000109.4T3 V4 M19 V47 S50 V63T3-T61 WeakPolarHBondContact CA-O 3.31Å; V4-T61 PolarHBondContact N-O 3.18Å; V4-T61 PolarHBondContact O-N 2.86Å; M19-T61 HydrophobicContact CE-CG2 3.75Å; V47-T61 HydrophobicContact CG1-CG2 3.36Å; S50-T61 WeakPolarHBondContact CB-OG1 3.34Å; S50-T61 VanDerWaalsContact OG-CB 3.32Å; S50-T61 WeakPolarHBondContact OG-CB 3.42Å; S50-T61 WeakPolarHBondContact OG-CG2 3.37Å; S50-T61 PolarHBondContact OG-OG1 2.53Å; T61-V63 HydrophobicContact CG2-CG2 4Å
62T92.9Very high92.6Very high26 Ų2655.7 Ų55.716%0.1629%0.29CS..EExtended strand (participates in β ladder)trans-87.6127.4173.9-51.80000110.5M1 E48M1-T62 HydrophobicContact CE-CG2 3.18Å; M1-T62 HydrophobicContact CG-CG2 3.43Å; M1-T62 VanDerWaalsContact CG-CG2 3.43Å; M1-T62 HydrophobicContact SD-CG2 4.06Å; E48-T62 WeakPolarHBondContact CB-O 3.4Å; E48-T62 PolarHBondContact N-O 3.07Å
63V93.5Very high92.8Very high0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-123.3133.1-173-1730000110.1M1 D2 V4 M19 L23 I44 V47 T61 F65M1-V63 CarbonylContact C-O 3.59Å; M1-V63 VanDerWaalsContact CA-O 3.25Å; M1-V63 WeakPolarHBondContact CA-O 3.32Å; D2-V63 PolarHBondContact N-O 2.79Å; D2-V63 PolarHBondContact O-N 2.8Å; V4-V63 HydrophobicContact CG2-CG2 4.08Å; M19-V63 HydrophobicContact SD-CG2 4.12Å; L23-V63 HydrophobicContact CD1-CG1 4.22Å; I44-V63 HydrophobicContact CB-CG1 4.46Å; I44-V63 HydrophobicContact CG1-CG1 4.26Å; I44-V63 HydrophobicContact CG2-CG1 3.53Å; V47-V63 HydrophobicContact CG2-CG1 4.47Å; T61-V63 HydrophobicContact CG2-CG2 4Å; V63-F65 HydrophobicContact CG1-CD1 4.3Å
64S94.9Very high93.2Very high31 Ų3161.9 Ų61.922%0.21731%0.314CS..EExtended strand (participates in β ladder)trans-100.9126.2166.8-660000109L45 K46L45-S64 WeakPolarHBondContact CB-O 3.28Å; L45-S64 PolarHBondContact N-O 2.92Å; K46-S64 PolarHBondContact N-O 3.24Å; K46-S64 VanDerWaalsContact N-O 3.08Å; K46-S64 PolarHBondContact O-N 2.8Å
65F95.2Very high93.5Very high32 Ų3258.8 Ų58.814%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-147163.8-17259.5-87.2000110.5D2 L23 F27 L41 D43 I44 V63D2-F65 HydrophobicContact CB-CE1 3.74Å; D2-F65 HydrophobicContact CB-CZ 4.17Å; L23-F65 HydrophobicContact CD1-CB 4.24Å; L23-F65 HydrophobicContact CD1-CD1 3.95Å; L23-F65 HydrophobicContact CD1-CE1 4.5Å; L23-F65 HydrophobicContact CD1-CG 4Å; L23-F65 HydrophobicContact CD2-CD1 3.82Å; L23-F65 HydrophobicContact CD2-CE1 3.53Å; L23-F65 HydrophobicContact CD2-CE2 4.38Å; L23-F65 HydrophobicContact CD2-CG 4.39Å; L23-F65 HydrophobicContact CD2-CZ 3.84Å; F27-F65 HydrophobicContact CD2-CE2 4.17Å; F27-F65 AromaticContact CD2-CZ 3.97Å; F27-F65 HydrophobicContact CD2-CZ 3.97Å; F27-F65 HydrophobicContact CE2-CE1 4.27Å; F27-F65 HydrophobicContact CE2-CE2 4.09Å; F27-F65 AromaticContact CE2-CZ 3.42Å; F27-F65 HydrophobicContact CE2-CZ 3.42Å; F27-F65 VanDerWaalsContact CE2-CZ 3.42Å; F27-F65 AromaticContact CZ-CZ 3.73Å; F27-F65 HydrophobicContact CZ-CZ 3.73Å; L41-F65 HydrophobicContact CD1-CB 3.78Å; L41-F65 HydrophobicContact CD1-CD2 3.64Å; L41-F65 HydrophobicContact CD1-CG 3.98Å; D43-F65 CarbonylContact O-C 3.6Å; D43-F65 VanDerWaalsContact O-CA 3.29Å; D43-F65 WeakPolarHBondContact O-CA 3.22Å; D43-F65 VanDerWaalsContact O-CB 3.3Å; D43-F65 WeakPolarHBondContact O-CB 3.29Å; I44-F65 HydrophobicContact CG1-CB 4.48Å; V63-F65 HydrophobicContact CG1-CD1 4.3Å
66R95.4Very high93.8Very high119 Ų11955.5 Ų55.545%0.44927%0.273SS..EExtended strand (participates in β ladder)trans-110.2141.9170.5-61.8-175-70.1176.5-5.7109.4W42 D43 L45W42-R66 HydrophobicContact CB-CB 4.1Å; W42-R66 WeakPolarHBondContact CB-O 3.41Å; W42-R66 HydrophobicContact CG-CB 4.43Å; W42-R66 PolarHBondContact N-O 3.39Å; W42-R66 VanDerWaalsContact NE1-NH2 3.12Å; D43-R66 VanDerWaalsContact CG-NH2 3.34Å; D43-R66 PolarHBondContact N-O 2.81Å; D43-R66 PolarHBondContact O-N 2.85Å; D43-R66 WeakPolarHBondContact OD1-CB 3.46Å; D43-R66 IonicContact OD1-CZ 3.49Å; D43-R66 IonicContact OD1-NE 2.76Å; D43-R66 PolarHBondContact OD1-NE 2.84Å; D43-R66 IonicContact OD1-NH2 3.4Å; D43-R66 PolarHBondContact OD1-NH2 2.76Å; D43-R66 IonicContact OD2-CZ 3.5Å; D43-R66 IonicContact OD2-NE 3.55Å; D43-R66 IonicContact OD2-NH2 2.66Å; D43-R66 PolarHBondContact OD2-NH2 3.16Å; L45-R66 HydrophobicContact CD1-CG 3.78Å; L45-R66 HydrophobicContact CD2-CG 4.34Å; L45-R66 HydrophobicContact CG-CG 4.08Å
67I94.9Very high94.2Very high46 Ų4655.1 Ų55.124%0.23627%0.27CS..EExtended strand (participates in β ladder)trans-123.2142177.1-165.9164.7000109.4F27 C38 S40F27-I67 HydrophobicContact CB-CD1 3.34Å; F27-I67 HydrophobicContact CG-CD1 4.12Å; C38-I67 HydrophobicContact CB-CD1 3.69Å; C38-I67 HydrophobicContact CB-CG1 4.41Å; S40-I67 VanDerWaalsContact O-CG1 3.28Å; S40-I67 WeakPolarHBondContact O-CG1 3.4Å
68V95.9Very high94.7Very high61 Ų6154.7 Ų54.737%0.3726%0.261SS..EExtended strand (participates in β ladder)trans-79.7120171.8-176.90000107.8I39 S40 W42I39-V68 HydrophobicContact CB-CB 4.48Å; I39-V68 HydrophobicContact CB-CG1 4.39Å; I39-V68 PolarHBondContact N-O 2.97Å; S40-V68 WeakPolarHBondContact O-CB 3.34Å; S40-V68 PolarHBondContact O-N 3.35Å; W42-V68 HydrophobicContact CB-CG2 3.96Å; W42-V68 HydrophobicContact CD2-CG2 4.5Å; W42-V68 HydrophobicContact CE3-CG2 3.8Å
69C95.8Very high95Very high38 Ų3859.1 Ų59.126%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-114.8137.9174.8-67.80000110.4V35 L37V35-C69 HydrophobicContact CG1-CB 4.5Å; L37-C69 CarbonylContact O-C 3.58Å; L37-C69 VanDerWaalsContact O-CA 3.24Å; L37-C69 WeakPolarHBondContact O-CA 3.47Å
70F96.9Very high95.4Very high29 Ų2955.8 Ų55.813%0.12727%0.271CS..EExtended strand (participates in β ladder)trans-84.5115.6165.6174.4-106.1000109.6G36 L37 I39 P72 L78 L94 F96 F97 I188G36-F70 WeakPolarHBondContact CA-O 3.4Å; L37-F70 HydrophobicContact CB-CB 4.3Å; L37-F70 PolarHBondContact N-O 2.75Å; L37-F70 PolarHBondContact O-N 3.47Å; I39-F70 HydrophobicContact CD1-CB 3.88Å; I39-F70 HydrophobicContact CG1-CB 4.03Å; F70-P72 HydrophobicContact CE1-CG 4.21Å; F70-P72 HydrophobicContact CE2-CB 4.41Å; F70-P72 HydrophobicContact CE2-CG 4.2Å; F70-P72 HydrophobicContact CZ-CB 4.38Å; F70-P72 HydrophobicContact CZ-CG 3.74Å; F70-L78 HydrophobicContact CZ-CD1 4.14Å; F70-L94 HydrophobicContact CE1-CD1 3.95Å; F70-L94 HydrophobicContact CE2-CD1 4.27Å; F70-L94 HydrophobicContact CZ-CD1 3.4Å; F70-L94 VanDerWaalsContact CZ-CD1 3.4Å; F70-F96 HydrophobicContact CB-CE2 3.86Å; F70-F96 AromaticContact CD1-CE2 3.65Å; F70-F96 HydrophobicContact CD1-CE2 3.65Å; F70-F96 HydrophobicContact CD1-CZ 4.24Å; F70-F96 AromaticContact CD2-CE2 3.76Å; F70-F96 HydrophobicContact CD2-CE2 3.76Å; F70-F96 AromaticContact CD2-CZ 3.65Å; F70-F96 HydrophobicContact CD2-CZ 3.65Å; F70-F96 HydrophobicContact CE1-CE2 4.06Å; F70-F96 HydrophobicContact CE1-CZ 4.33Å; F70-F96 HydrophobicContact CE2-CE2 4.18Å; F70-F96 AromaticContact CE2-CZ 3.78Å; F70-F96 HydrophobicContact CE2-CZ 3.78Å; F70-F96 AromaticContact CG-CE2 3.47Å; F70-F96 HydrophobicContact CG-CE2 3.47Å; F70-F96 VanDerWaalsContact CG-CE2 3.47Å; F70-F96 AromaticContact CG-CZ 3.89Å; F70-F96 HydrophobicContact CG-CZ 3.89Å; F70-F96 HydrophobicContact CZ-CE2 4.31Å; F70-F96 HydrophobicContact CZ-CZ 4.12Å; F70-F97 HydrophobicContact CD1-CB 4.43Å; F70-F97 HydrophobicContact CD1-CG 4.29Å; F70-F97 HydrophobicContact CE1-CB 4.2Å; F70-F97 AromaticContact CE1-CD1 3.92Å; F70-F97 HydrophobicContact CE1-CD1 3.92Å; F70-F97 HydrophobicContact CE1-CE1 4.44Å; F70-F97 AromaticContact CE1-CG 3.96Å; F70-F97 HydrophobicContact CE1-CG 3.96Å; F70-I188 HydrophobicContact CE1-CD1 3.72Å; F70-I188 HydrophobicContact CZ-CD1 4.05Å
71R96.3Very high95.7Very high104 Ų10455.4 Ų55.439%0.39227%0.273SS..  trans-151.294.8170.3-179.5179.7179.5-169.3-2.6107.3K34 V35 E148K34-R71 PolarHBondContact O-NH1 3.43Å; V35-R71 WeakPolarHBondContact O-CD 3.4Å; R71-E148 IonicContact CZ-OE1 3.02Å; R71-E148 IonicContact CZ-OE2 3.18Å; R71-E148 IonicContact NE-OE1 3.03Å; R71-E148 IonicContact NE-OE2 2.76Å; R71-E148 PolarHBondContact NE-OE2 2.94Å; R71-E148 IonicContact NH2-OE1 2.81Å; R71-E148 PolarHBondContact NH2-OE1 2.93Å; R71-E148 IonicContact NH2-OE2 3.79Å
72P96.3Very high96Very high7 Ų755.3 Ų55.35%0.04527%0.272CS..PPolyproline II helixtrans-67.5153.9179.527-32.3000110.9F70 E76 L78 V145 Y186 I188F70-P72 HydrophobicContact CE1-CG 4.21Å; F70-P72 HydrophobicContact CE2-CB 4.41Å; F70-P72 HydrophobicContact CE2-CG 4.2Å; F70-P72 HydrophobicContact CZ-CB 4.38Å; F70-P72 HydrophobicContact CZ-CG 3.74Å; P72-E76 WeakPolarHBondContact CA-OE2 3.14Å; P72-E76 HydrophobicContact CB-CB 4.46Å; P72-E76 VanDerWaalsContact CB-OE2 3.26Å; P72-E76 WeakPolarHBondContact CB-OE2 3.23Å; P72-L78 HydrophobicContact CB-CD1 3.9Å; P72-L78 HydrophobicContact CG-CD1 3.95Å; P72-V145 HydrophobicContact CB-CG2 4.16Å; P72-V145 HydrophobicContact CG-CG2 4.21Å; P72-Y186 WeakPolarHBondContact CD-OH 3.49Å; P72-I188 HydrophobicContact CG-CD1 3.45Å; P72-I188 VanDerWaalsContact CG-CD1 3.45Å; P72-I188 HydrophobicContact CG-CG1 4.37Å
73F95.5Very high96.1Very high161 Ų16159 Ų5971%0.70629%0.286SS*.PPolyproline II helixtrans-80.1155.1176.5-59.2-77.7000110.9E76 V145F73-E76 HydrophobicContact CB-CB 4.42Å; F73-E76 PolarHBondContact N-OE2 3.3Å; F73-E76 WeakPolarHBondContact O-CB 3.48Å; F73-E76 PolarHBondContact O-N 2.79Å; F73-E76 VanDerWaalsContact O-N 3.12Å; F73-V145 WeakPolarHBondContact O-CB 3.44Å
74I96.8Very high96Very high81 Ų8161.2 Ų61.242%0.41530%0.301SS..THydrogen-bonded Turntrans-60141.1165.6-54.1-54.4000108.6E76 V145 E148I74-E76 PolarHBondContact O-N 2.67Å; I74-V145 HydrophobicContact CD1-CG1 4.08Å; I74-E148 HydrophobicContact CD1-CG 4.49Å
75D96.7Very high96Very high106 Ų10660.9 Ų60.957%0.56730%0.297SS*.THydrogen-bonded Turntrans68.72.8-172.2-60.7-49000116.2R144 V145D75-R144 HydrophobicContact CB-CG 4.5Å; D75-R144 WeakPolarHBondContact OD1-CD 3.43Å; D75-V145 WeakPolarHBondContact CA-O 3.26Å; D75-V145 PolarHBondContact N-O 2.89Å
76E97Very high95.8Very high71 Ų7161.4 Ų61.433%0.33231%0.305SS..  trans-66.2141.1171.3-169.3172170.200111.1P72 F73 I74 L78 R144 V145P72-E76 WeakPolarHBondContact CA-OE2 3.14Å; P72-E76 HydrophobicContact CB-CB 4.46Å; P72-E76 VanDerWaalsContact CB-OE2 3.26Å; P72-E76 WeakPolarHBondContact CB-OE2 3.23Å; F73-E76 HydrophobicContact CB-CB 4.42Å; F73-E76 PolarHBondContact N-OE2 3.3Å; F73-E76 WeakPolarHBondContact O-CB 3.48Å; F73-E76 PolarHBondContact O-N 2.79Å; F73-E76 VanDerWaalsContact O-N 3.12Å; I74-E76 PolarHBondContact O-N 2.67Å; E76-L78 HydrophobicContact CG-CD2 4.21Å; E76-R144 CarbonylContact O-C 3.48Å; E76-R144 WeakPolarHBondContact O-CA 3.32Å; E76-V145 PolarHBondContact O-N 3.44Å
77I96.5Very high95.7Very high74 Ų7462.3 Ų62.338%0.37931%0.312SS..EExtended strand (participates in β ladder)trans-99.6118.8178.5-55.1-53.7000109.4R142 F143 R144 L197I77-R142 HydrophobicContact CG2-CG 3.38Å; I77-F143 WeakPolarHBondContact CA-O 3.05Å; I77-R144 HydrophobicContact CD1-CB 3.47Å; I77-R144 VanDerWaalsContact CD1-CB 3.47Å; I77-R144 HydrophobicContact CD1-CG 3.72Å; I77-L197 HydrophobicContact CD1-CD2 3.95Å; I77-L197 HydrophobicContact CG2-CD2 4.03Å
78L97.1Very high95.5Very high22 Ų2261.4 Ų61.412%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-115.4157.3179.2-61.2178.5000110.9F70 P72 E76 L94 R142 F143 V145F70-L78 HydrophobicContact CZ-CD1 4.14Å; P72-L78 HydrophobicContact CB-CD1 3.9Å; P72-L78 HydrophobicContact CG-CD1 3.95Å; E76-L78 HydrophobicContact CG-CD2 4.21Å; L78-L94 HydrophobicContact CB-CD2 4.36Å; L78-L94 HydrophobicContact CD1-CD1 3.99Å; L78-R142 WeakPolarHBondContact O-CA 3.22Å; L78-F143 HydrophobicContact CB-CE1 3.9Å; L78-F143 HydrophobicContact CB-CE2 3.97Å; L78-F143 HydrophobicContact CB-CZ 3.56Å; L78-F143 HydrophobicContact CD1-CE2 4.19Å; L78-F143 HydrophobicContact CD1-CZ 4.06Å; L78-F143 HydrophobicContact CG-CZ 4.42Å; L78-F143 PolarHBondContact N-O 3.24Å; L78-F143 PolarHBondContact O-N 3.02Å; L78-V145 HydrophobicContact CD1-CG2 3.78Å; L78-V145 HydrophobicContact CG-CG2 4.21Å
79I97Very high95.4Very high95 Ų9558.5 Ų58.549%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-119.9125.6175.5-59.5174.7000107.4L94 T140 I141 R142I79-L94 VanDerWaalsContact O-CD2 3.29Å; I79-L94 WeakPolarHBondContact O-CD2 3.37Å; I79-T140 HydrophobicContact CG2-CG2 3.38Å; I79-I141 WeakPolarHBondContact CA-O 3.41Å; I79-R142 HydrophobicContact CG1-CB 4.35Å; I79-R142 HydrophobicContact CG1-CG 4.13Å
80G97Very high95.4Very high3 Ų356.7 Ų56.73%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-139.3-179177.500000112.1S93 T140 I141G80-S93 CarbonylContact C-O 3.58Å; G80-S93 VanDerWaalsContact CA-O 3.22Å; G80-S93 WeakPolarHBondContact CA-O 3.21Å; G80-T140 CarbonylContact O-C 3.59Å; G80-T140 WeakPolarHBondContact O-CA 3.44Å; G80-I141 PolarHBondContact N-O 3.01Å; G80-I141 PolarHBondContact O-N 3.12Å
81I97.7Very high95.3Very high56 Ų5660.3 Ų60.329%0.28729%0.294SS..EExtended strand (participates in β ladder)trans-109.7131.4179.7-62.8166.8000108.8K83 V92 S93 H138 D139I81-K83 PolarHBondContact O-N 2.84Å; I81-K83 VanDerWaalsContact O-N 3.13Å; I81-V92 CarbonylContact O-C 3.59Å; I81-V92 WeakPolarHBondContact O-CA 3.47Å; I81-S93 PolarHBondContact N-O 2.85Å; I81-S93 PolarHBondContact O-N 2.89Å; I81-H138 HydrophobicContact CG2-CB 4.43Å; I81-D139 WeakPolarHBondContact CA-O 3.48Å
82V96.6Very high95.3Very high0 Ų055.3 Ų55.30%028%0.275CS..EExtended strand (participates in β ladder)trans-67.3110.6175.6-179.80000109.7L85 I135 H138 D139 I141V82-L85 HydrophobicContact CG1-CD1 3.65Å; V82-L85 HydrophobicContact CG1-CD2 4.17Å; V82-L85 HydrophobicContact CG1-CG 3.68Å; V82-I135 HydrophobicContact CG2-CG2 3.98Å; V82-H138 WeakPolarHBondContact O-CA 3.34Å; V82-H138 PolarHBondContact O-N 3.34Å; V82-D139 HydrophobicContact CG2-CB 4.41Å; V82-D139 PolarHBondContact N-O 2.86Å; V82-I141 HydrophobicContact CG2-CB 4.01Å; V82-I141 HydrophobicContact CG2-CD1 4.25Å; V82-I141 HydrophobicContact CG2-CG2 3.74Å
83K94.7Very high95.3Very high104 Ų10455.8 Ų55.845%0.45228%0.279SS..EExtended strand (participates in β ladder)trans-84.9-40.3-178.3-172176.7-178.91760112I81 R91 D98 K137I81-K83 PolarHBondContact O-N 2.84Å; I81-K83 VanDerWaalsContact O-N 3.13Å; K83-R91 PolarHBondContact N-O 2.85Å; K83-D98 IonicContact NZ-OD2 3.14Å; K83-D98 PolarHBondContact NZ-OD2 3.12Å; K83-K137 WeakPolarHBondContact O-CE 3.36Å
84S92.8Very high95.3Very high45 Ų4548.8 Ų48.832%0.31525%0.249SC..EExtended strand (participates in β ladder)trans-155.1151.2176.7620000111.3R91S84-R91 PolarHBondContact N-O 2.91Å; S84-R91 PolarHBondContact O-N 3.21Å; S84-R91 WeakPolarHBondContact OG-CB 3.33Å
85L93.2Very high95.2Very high24 Ų2451.1 Ų51.113%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-119.7142.4177.9-5593.1000109V82 L90 Y113 I135 K137V82-L85 HydrophobicContact CG1-CD1 3.65Å; V82-L85 HydrophobicContact CG1-CD2 4.17Å; V82-L85 HydrophobicContact CG1-CG 3.68Å; L85-L90 HydrophobicContact CB-CD2 4.15Å; L85-L90 HydrophobicContact CD2-CD2 3.53Å; L85-L90 HydrophobicContact CG-CD2 3.74Å; L85-Y113 HydrophobicContact CB-CE2 4.46Å; L85-I135 HydrophobicContact CD2-CB 4.29Å; L85-I135 HydrophobicContact CD2-CG2 4.06Å; L85-I135 WeakPolarHBondContact CD2-O 3.04Å; L85-K137 HydrophobicContact CD1-CB 3.84Å
86S92.3Very high95Very high44 Ų4451.5 Ų51.531%0.30826%0.259SS..EExtended strand (participates in β ladder)trans-146.6167176.968.30000109.6A88 G89 W120S86-A88 PolarHBondContact O-N 2.86Å; S86-A88 PolarHBondContact OG-N 2.89Å; S86-G89 PolarHBondContact N-O 2.91Å; S86-G89 PolarHBondContact O-N 3.29Å; S86-G89 PolarHBondContact OG-N 3.3Å; S86-G89 PolarHBondContact OG-O 2.85Å; S86-G89 VanDerWaalsContact OG-O 3.07Å; S86-W120 PolarHBondContact O-NE1 2.81Å
87K92.1Very high94.9Very high137 Ų13748.5 Ų48.560%0.59625%0.245SC*.THydrogen-bonded Turntrans-58.7-26.7172.3-167.9-167.7-179-177.70112.9G89 Y113 Y115 W120K87-G89 VanDerWaalsContact C-N 3.34Å; K87-Y113 HydrophobicContact CB-CD1 4.17Å; K87-Y113 HydrophobicContact CB-CE1 4.42Å; K87-Y115 VanDerWaalsContact CD-OH 3.29Å; K87-Y115 WeakPolarHBondContact CD-OH 3.26Å; K87-Y115 WeakPolarHBondContact CE-OH 3.38Å; K87-W120 WeakPolarHBondContact O-CZ2 3.45Å
88A91.8Very high94.8Very high28 Ų2847.9 Ų47.923%0.23124%0.242CC..THydrogen-bonded Turntrans-74.8-25.6177.500000112.6S86 F101 A104 L179S86-A88 PolarHBondContact O-N 2.86Å; S86-A88 PolarHBondContact OG-N 2.89Å; A88-F101 HydrophobicContact CB-CZ 4.17Å; A88-F101 WeakPolarHBondContact O-CZ 3.37Å; A88-A104 PolarHBondContact O-N 2.85Å; A88-L179 HydrophobicContact CB-CB 4.35Å
89G93.5Very high94.6Very high0 Ų049.9 Ų49.90%025%0.253CS..EExtended strand (participates in β ladder)trans150-161.7-175.600000113.7S86 K87 I102S86-G89 PolarHBondContact N-O 2.91Å; S86-G89 PolarHBondContact O-N 3.29Å; S86-G89 PolarHBondContact OG-N 3.3Å; S86-G89 PolarHBondContact OG-O 2.85Å; S86-G89 VanDerWaalsContact OG-O 3.07Å; K87-G89 VanDerWaalsContact C-N 3.34Å; G89-I102 CarbonylContact C-O 3.49Å; G89-I102 WeakPolarHBondContact CA-O 3.3Å
90L95.1Very high94.6Very high0 Ų045.4 Ų45.40%023%0.23CC..EExtended strand (participates in β ladder)trans-108.9136.6-177.4-48.1174.1000110.5L85 V92 F101 I102 L107 W120 I135 I141L85-L90 HydrophobicContact CB-CD2 4.15Å; L85-L90 HydrophobicContact CD2-CD2 3.53Å; L85-L90 HydrophobicContact CG-CD2 3.74Å; L90-V92 HydrophobicContact CB-CG2 4.44Å; L90-F101 CarbonylContact O-C 3.55Å; L90-F101 WeakPolarHBondContact O-CA 3.14Å; L90-F101 VanDerWaalsContact O-CD2 3.26Å; L90-F101 WeakPolarHBondContact O-CD2 3.02Å; L90-I102 HydrophobicContact CB-CB 4.19Å; L90-I102 HydrophobicContact CD1-CD1 4.49Å; L90-I102 PolarHBondContact N-O 3.28Å; L90-I102 PolarHBondContact O-N 3.3Å; L90-L107 HydrophobicContact CD1-CD2 3.6Å; L90-L107 HydrophobicContact CG-CD2 4.02Å; L90-W120 HydrophobicContact CD2-CG 4.15Å; L90-I135 HydrophobicContact CD1-CD1 3.91Å; L90-I135 HydrophobicContact CD1-CG2 4.16Å; L90-I135 HydrophobicContact CD2-CG2 4.35Å; L90-I141 HydrophobicContact CD1-CD1 3.62Å
91R95.3Very high94.6Very high104 Ų10446 Ų4639%0.39223%0.232SC..EExtended strand (participates in β ladder)trans-98.5127.3163.6-62.9-173.9176.6175.2-3.5108.9K83 S84 V100 F101 E181K83-R91 PolarHBondContact N-O 2.85Å; S84-R91 PolarHBondContact N-O 2.91Å; S84-R91 PolarHBondContact O-N 3.21Å; S84-R91 WeakPolarHBondContact OG-CB 3.33Å; R91-V100 WeakPolarHBondContact CA-O 3.29Å; R91-F101 HydrophobicContact CG-CD2 4.15Å; R91-E181 IonicContact NH2-OE2 3.57Å; R91-E181 PolarHBondContact NH2-OE2 2.93Å
92V96.7Very high94.5Very high0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-116.9142.6-175.5-179.40000109.3I81 L90 V100 I102 I141 F143I81-V92 CarbonylContact O-C 3.59Å; I81-V92 WeakPolarHBondContact O-CA 3.47Å; L90-V92 HydrophobicContact CB-CG2 4.44Å; V92-V100 HydrophobicContact CB-CB 4.01Å; V92-V100 HydrophobicContact CB-CG1 4.05Å; V92-V100 PolarHBondContact N-O 3.27Å; V92-V100 WeakPolarHBondContact O-CB 3.08Å; V92-I102 HydrophobicContact CG2-CD1 3.73Å; V92-I102 HydrophobicContact CG2-CG1 4.26Å; V92-I141 HydrophobicContact CB-CG2 4.48Å; V92-I141 HydrophobicContact CG1-CG2 3.81Å; V92-I141 HydrophobicContact CG2-CG2 3.75Å; V92-F143 HydrophobicContact CG1-CD1 4.31Å; V92-F143 HydrophobicContact CG1-CE1 3.81Å
93S96.2Very high94.4Very high17 Ų1744.6 Ų44.612%0.11923%0.227CC..EExtended strand (participates in β ladder)trans-115136.2175.31720000110.1G80 I81 N95 D98G80-S93 CarbonylContact C-O 3.58Å; G80-S93 VanDerWaalsContact CA-O 3.22Å; G80-S93 WeakPolarHBondContact CA-O 3.21Å; I81-S93 PolarHBondContact N-O 2.85Å; I81-S93 PolarHBondContact O-N 2.89Å; S93-N95 VanDerWaalsContact C-N 3.32Å; S93-N95 PolarHBondContact OG-N 2.79Å; S93-D98 WeakPolarHBondContact CB-OD1 3.29Å; S93-D98 PolarHBondContact OG-OD1 3.32Å
94L96.2Very high94.4Very high14 Ų1441 Ų417%0.07322%0.216CC..  trans-97.121.3170.2-55.6177.3000111.5F70 L78 I79 F96 F97 V100 F143F70-L94 HydrophobicContact CE1-CD1 3.95Å; F70-L94 HydrophobicContact CE2-CD1 4.27Å; F70-L94 HydrophobicContact CZ-CD1 3.4Å; F70-L94 VanDerWaalsContact CZ-CD1 3.4Å; L78-L94 HydrophobicContact CB-CD2 4.36Å; L78-L94 HydrophobicContact CD1-CD1 3.99Å; I79-L94 VanDerWaalsContact O-CD2 3.29Å; I79-L94 WeakPolarHBondContact O-CD2 3.37Å; L94-F96 HydrophobicContact CB-CE1 4.15Å; L94-F96 HydrophobicContact CB-CZ 4.38Å; L94-F96 WeakPolarHBondContact O-CD1 3.4Å; L94-F96 PolarHBondContact O-N 2.79Å; L94-F97 HydrophobicContact CB-CB 4.4Å; L94-F97 HydrophobicContact CD1-CD1 4.28Å; L94-F97 PolarHBondContact N-O 3.4Å; L94-V100 HydrophobicContact CD1-CG2 4.2Å; L94-V100 HydrophobicContact CG-CG2 4.15Å; L94-F143 HydrophobicContact CD2-CE1 4.08Å; L94-F143 HydrophobicContact CD2-CZ 4.06Å
95N93.1Very high94.4Very high130 Ų13046.6 Ų46.670%0.69524%0.237SC*.SBendtrans68.3-51.5-171.9-57.182.2000114.9S93S93-N95 VanDerWaalsContact C-N 3.32Å; S93-N95 PolarHBondContact OG-N 2.79Å
96F93.5Very high94.4Very high114 Ų11449.2 Ų49.250%0.525%0.247SC..SBendtrans-92.3-9.9177.767.9-92.6000113L37 I39 F70 L94L37-F96 HydrophobicContact CD2-CD2 3.86Å; L37-F96 HydrophobicContact CD2-CE2 4.33Å; I39-F96 HydrophobicContact CD1-CD2 3.83Å; I39-F96 HydrophobicContact CD1-CE2 4.08Å; F70-F96 HydrophobicContact CB-CE2 3.86Å; F70-F96 AromaticContact CD1-CE2 3.65Å; F70-F96 HydrophobicContact CD1-CE2 3.65Å; F70-F96 HydrophobicContact CD1-CZ 4.24Å; F70-F96 AromaticContact CD2-CE2 3.76Å; F70-F96 HydrophobicContact CD2-CE2 3.76Å; F70-F96 AromaticContact CD2-CZ 3.65Å; F70-F96 HydrophobicContact CD2-CZ 3.65Å; F70-F96 HydrophobicContact CE1-CE2 4.06Å; F70-F96 HydrophobicContact CE1-CZ 4.33Å; F70-F96 HydrophobicContact CE2-CE2 4.18Å; F70-F96 AromaticContact CE2-CZ 3.78Å; F70-F96 HydrophobicContact CE2-CZ 3.78Å; F70-F96 AromaticContact CG-CE2 3.47Å; F70-F96 HydrophobicContact CG-CE2 3.47Å; F70-F96 VanDerWaalsContact CG-CE2 3.47Å; F70-F96 AromaticContact CG-CZ 3.89Å; F70-F96 HydrophobicContact CG-CZ 3.89Å; F70-F96 HydrophobicContact CZ-CE2 4.31Å; F70-F96 HydrophobicContact CZ-CZ 4.12Å; L94-F96 HydrophobicContact CB-CE1 4.15Å; L94-F96 HydrophobicContact CB-CZ 4.38Å; L94-F96 WeakPolarHBondContact O-CD1 3.4Å; L94-F96 PolarHBondContact O-N 2.79Å
97F94.8Very high94.5Very high7 Ų747.3 Ų47.33%0.03123%0.234CC..  trans-143.9122-179.3-176.9-100.4000110.1L37 F70 L94 D99 V100 Y186 I188L37-F97 HydrophobicContact CD2-CB 4.25Å; L37-F97 HydrophobicContact CD2-CD2 4Å; F70-F97 HydrophobicContact CD1-CB 4.43Å; F70-F97 HydrophobicContact CD1-CG 4.29Å; F70-F97 HydrophobicContact CE1-CB 4.2Å; F70-F97 AromaticContact CE1-CD1 3.92Å; F70-F97 HydrophobicContact CE1-CD1 3.92Å; F70-F97 HydrophobicContact CE1-CE1 4.44Å; F70-F97 AromaticContact CE1-CG 3.96Å; F70-F97 HydrophobicContact CE1-CG 3.96Å; L94-F97 HydrophobicContact CB-CB 4.4Å; L94-F97 HydrophobicContact CD1-CD1 4.28Å; L94-F97 PolarHBondContact N-O 3.4Å; F97-D99 HydrophobicContact CE1-CB 3.99Å; F97-D99 VanDerWaalsContact CE1-O 3.32Å; F97-D99 WeakPolarHBondContact CE1-O 3.34Å; F97-D99 HydrophobicContact CE2-CB 4.06Å; F97-D99 HydrophobicContact CZ-CB 3.62Å; F97-V100 HydrophobicContact CD1-CG2 3.69Å; F97-V100 HydrophobicContact CE1-CG2 3.76Å; F97-Y186 AromaticContact CE2-CD1 3.65Å; F97-Y186 HydrophobicContact CE2-CD1 3.65Å; F97-Y186 HydrophobicContact CE2-CE1 4.34Å; F97-Y186 AromaticContact CZ-CD1 3.59Å; F97-Y186 HydrophobicContact CZ-CD1 3.59Å; F97-Y186 HydrophobicContact CZ-CE1 4.07Å; F97-Y186 HydrophobicContact CZ-CG 4.33Å; F97-Y186 WeakPolarHBondContact CZ-O 3.45Å; F97-I188 HydrophobicContact CD1-CD1 4.02Å; F97-I188 HydrophobicContact CE1-CB 4.32Å; F97-I188 HydrophobicContact CE1-CD1 3.46Å; F97-I188 VanDerWaalsContact CE1-CD1 3.46Å; F97-I188 HydrophobicContact CE1-CG1 3.77Å; F97-I188 HydrophobicContact CZ-CD1 4.09Å; F97-I188 HydrophobicContact CZ-CG1 4.14Å
98D93.9Very high94.4Very high61 Ų6141.7 Ų41.733%0.32621%0.209SC..  trans-108.7-5.8-171.2-80.8-0.3000113.9K83 S93 V100K83-D98 IonicContact NZ-OD2 3.14Å; K83-D98 PolarHBondContact NZ-OD2 3.12Å; S93-D98 WeakPolarHBondContact CB-OD1 3.29Å; S93-D98 PolarHBondContact OG-OD1 3.32Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 2.84Å; D98-V100 VanDerWaalsContact O-N 3.16Å
99D94.1Very high94.3Very high64 Ų6444.9 Ų44.934%0.34223%0.229SC..  trans-93.250.6-172.7-56-57.8000111.2F97 A184 Y186 T187 I188F97-D99 HydrophobicContact CE1-CB 3.99Å; F97-D99 VanDerWaalsContact CE1-O 3.32Å; F97-D99 WeakPolarHBondContact CE1-O 3.34Å; F97-D99 HydrophobicContact CE2-CB 4.06Å; F97-D99 HydrophobicContact CZ-CB 3.62Å; D99-A184 HydrophobicContact CB-CB 3.92Å; D99-A184 VanDerWaalsContact CG-CB 3.4Å; D99-A184 WeakPolarHBondContact OD1-CB 3.34Å; D99-Y186 VanDerWaalsContact CB-O 3.23Å; D99-Y186 WeakPolarHBondContact CB-O 3.06Å; D99-T187 CarbonylContact O-C 3.57Å; D99-T187 WeakPolarHBondContact O-CA 3.29Å; D99-I188 PolarHBondContact O-N 3.19Å
100V96.2Very high94.1Very high2 Ų248.5 Ų48.51%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-109.4127.7173-173.10000109.6R91 V92 L94 F97 D98 F143 I188R91-V100 WeakPolarHBondContact CA-O 3.29Å; V92-V100 HydrophobicContact CB-CB 4.01Å; V92-V100 HydrophobicContact CB-CG1 4.05Å; V92-V100 PolarHBondContact N-O 3.27Å; V92-V100 WeakPolarHBondContact O-CB 3.08Å; L94-V100 HydrophobicContact CD1-CG2 4.2Å; L94-V100 HydrophobicContact CG-CG2 4.15Å; F97-V100 HydrophobicContact CD1-CG2 3.69Å; F97-V100 HydrophobicContact CE1-CG2 3.76Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 2.84Å; D98-V100 VanDerWaalsContact O-N 3.16Å; V100-F143 HydrophobicContact CB-CZ 4.49Å; V100-F143 HydrophobicContact CG1-CD2 4.36Å; V100-F143 HydrophobicContact CG1-CE1 4.25Å; V100-F143 HydrophobicContact CG1-CE2 3.59Å; V100-F143 HydrophobicContact CG1-CZ 3.53Å; V100-F143 HydrophobicContact CG2-CZ 4.34Å; V100-I188 CarbonylContact C-O 3.42Å; V100-I188 WeakPolarHBondContact CA-O 3.5Å; V100-I188 HydrophobicContact CG1-CB 4.36Å; V100-I188 HydrophobicContact CG1-CG2 4.3Å; V100-I188 HydrophobicContact CG2-CB 4.26Å; V100-I188 HydrophobicContact CG2-CD1 4.48Å
101F96.2Very high93.9Very high16 Ų1650.2 Ų50.27%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-125.4134.4178.9-175.9-115.3000111.4A88 L90 R91 P103 I180 T187 I188 I189 G190A88-F101 HydrophobicContact CB-CZ 4.17Å; A88-F101 WeakPolarHBondContact O-CZ 3.37Å; L90-F101 CarbonylContact O-C 3.55Å; L90-F101 WeakPolarHBondContact O-CA 3.14Å; L90-F101 VanDerWaalsContact O-CD2 3.26Å; L90-F101 WeakPolarHBondContact O-CD2 3.02Å; R91-F101 HydrophobicContact CG-CD2 4.15Å; F101-P103 HydrophobicContact CD1-CG 3.89Å; F101-P103 HydrophobicContact CE1-CB 4.01Å; F101-P103 HydrophobicContact CE1-CG 3.75Å; F101-I180 HydrophobicContact CD1-CG2 4.34Å; F101-I180 HydrophobicContact CE1-CG1 4.21Å; F101-T187 HydrophobicContact CB-CG2 4.48Å; F101-I188 PolarHBondContact N-O 3.47Å; F101-I189 HydrophobicContact CB-CD1 4.21Å; F101-I189 HydrophobicContact CD1-CD1 4.18Å; F101-I189 CarbonylContact O-C 3.58Å; F101-I189 VanDerWaalsContact O-CA 3.28Å; F101-I189 WeakPolarHBondContact O-CA 3.44Å; F101-G190 PolarHBondContact O-N 2.66Å
102I96.2Very high93.8Very high0 Ų049.6 Ų49.60%026%0.263CS..EExtended strand (participates in β ladder)trans-116.9103.2174-56.9173.9000106.8G89 L90 V92 K106 L107 I141 F143 V192G89-I102 CarbonylContact C-O 3.49Å; G89-I102 WeakPolarHBondContact CA-O 3.3Å; L90-I102 HydrophobicContact CB-CB 4.19Å; L90-I102 HydrophobicContact CD1-CD1 4.49Å; L90-I102 PolarHBondContact N-O 3.28Å; L90-I102 PolarHBondContact O-N 3.3Å; V92-I102 HydrophobicContact CG2-CD1 3.73Å; V92-I102 HydrophobicContact CG2-CG1 4.26Å; I102-K106 HydrophobicContact CG2-CB 4.4Å; I102-L107 HydrophobicContact CG2-CD2 3.76Å; I102-I141 HydrophobicContact CD1-CD1 4.19Å; I102-F143 HydrophobicContact CD1-CB 3.72Å; I102-F143 HydrophobicContact CD1-CD1 4.34Å; I102-F143 HydrophobicContact CD1-CG 4Å; I102-V192 HydrophobicContact CD1-CG1 4.03Å; I102-V192 HydrophobicContact CG2-CG2 4.49Å
103P95.6Very high93.6Very high26 Ų2651.2 Ų51.217%0.16927%0.269CS..EExtended strand (participates in β ladder)trans-60.2151.9178.3-21.430.6000112.1F101 E105 K106 L107 I189F101-P103 HydrophobicContact CD1-CG 3.89Å; F101-P103 HydrophobicContact CE1-CB 4.01Å; F101-P103 HydrophobicContact CE1-CG 3.75Å; P103-E105 PolarHBondContact O-N 2.86Å; P103-K106 HydrophobicContact CB-CG 4.36Å; P103-K106 HydrophobicContact CG-CG 4.28Å; P103-K106 CarbonylContact O-C 3.53Å; P103-K106 WeakPolarHBondContact O-CA 3.24Å; P103-K106 PolarHBondContact O-N 3.29Å; P103-L107 PolarHBondContact O-N 3.1Å; P103-I189 HydrophobicContact CG-CG2 3.92Å
104A93.3Very high93.4Very high28 Ų2852.2 Ų52.223%0.23127%0.273CS..G310 helixtrans-53.5-37.617600000112.9A88 K106 L107 W120A88-A104 PolarHBondContact O-N 2.85Å; A104-K106 PolarHBondContact O-N 3.13Å; A104-L107 VanDerWaalsContact O-CB 3.29Å; A104-L107 WeakPolarHBondContact O-CB 3.13Å; A104-L107 PolarHBondContact O-N 2.71Å; A104-L107 VanDerWaalsContact O-N 3.08Å; A104-W120 HydrophobicContact CB-CH2 3.58Å; A104-W120 HydrophobicContact CB-CZ2 3.67Å
105E92.9Very high93.1Very high162 Ų16258.7 Ų58.776%0.75730%0.298SS*.G310 helixtrans-65.8-20.5177.3-59177-175.400113.9P103P103-E105 PolarHBondContact O-N 2.86Å
106K94.2Very high92.9Very high79 Ų7960.6 Ų60.634%0.34330%0.302SS..G310 helixtrans-101.27.1177.9-57.8-61.3-174.8-176.40112I102 P103 A104 V192 V193I102-K106 HydrophobicContact CG2-CB 4.4Å; P103-K106 HydrophobicContact CB-CG 4.36Å; P103-K106 HydrophobicContact CG-CG 4.28Å; P103-K106 CarbonylContact O-C 3.53Å; P103-K106 WeakPolarHBondContact O-CA 3.24Å; P103-K106 PolarHBondContact O-N 3.29Å; A104-K106 PolarHBondContact O-N 3.13Å; K106-V192 PolarHBondContact O-N 2.91Å; K106-V193 WeakPolarHBondContact O-CG2 3.22Å
107L94Very high92.5Very high4 Ų460 Ų602%0.02130%0.301CS..SBendtrans-78.3161.7163.4-58.5179.1000109.8L90 I102 P103 A104 W120 I135 V192L90-L107 HydrophobicContact CD1-CD2 3.6Å; L90-L107 HydrophobicContact CG-CD2 4.02Å; I102-L107 HydrophobicContact CG2-CD2 3.76Å; P103-L107 PolarHBondContact O-N 3.1Å; A104-L107 VanDerWaalsContact O-CB 3.29Å; A104-L107 WeakPolarHBondContact O-CB 3.13Å; A104-L107 PolarHBondContact O-N 2.71Å; A104-L107 VanDerWaalsContact O-N 3.08Å; L107-W120 HydrophobicContact CD1-CB 4.38Å; L107-W120 HydrophobicContact CD1-CD2 3.28Å; L107-W120 HydrophobicContact CD1-CE3 3.48Å; L107-W120 VanDerWaalsContact CD1-CE3 3.48Å; L107-W120 HydrophobicContact CD1-CG 3.72Å; L107-W120 HydrophobicContact CD1-CH2 4.12Å; L107-W120 HydrophobicContact CD1-CZ2 3.96Å; L107-W120 HydrophobicContact CD1-CZ3 3.89Å; L107-I135 HydrophobicContact CD2-CD1 4.48Å; L107-V192 HydrophobicContact CD2-CG2 3.72Å
108R90.5Very high92.3Very high19 Ų1964.1 Ų64.17%0.07232%0.324CS..PPolyproline II helixtrans-70.6141.7177.9-168171-80.7-178.3-19.4110.6S111 W122 V193 A194 D195R108-S111 WeakPolarHBondContact O-CB 3.47Å; R108-S111 PolarHBondContact O-N 3.09Å; R108-S111 PolarHBondContact O-OG 3.26Å; R108-W122 HydrophobicContact CB-CD2 4.25Å; R108-W122 HydrophobicContact CB-CG 4.18Å; R108-W122 HydrophobicContact CG-CD2 4.17Å; R108-W122 HydrophobicContact CG-CG 4.39Å; R108-W122 HydrophobicContact CG-CZ2 4.08Å; R108-V193 PolarHBondContact NE-O 2.94Å; R108-V193 VanDerWaalsContact NE-O 3.15Å; R108-V193 PolarHBondContact NH2-O 3.31Å; R108-A194 PolarHBondContact NH2-O 2.65Å; R108-D195 IonicContact CZ-OD1 2.87Å; R108-D195 VanDerWaalsContact NH2-CA 3.26Å; R108-D195 IonicContact NH2-OD1 3.62Å; R108-D195 PolarHBondContact NH2-OD1 2.86Å
109S88.3Confident92.2Very high95 Ų9561.2 Ų61.266%0.66431%0.308SS*.SBendtrans-103142.9178.4-610000111
110P90.5Very high92.2Very high77 Ų7759 Ų5950%0.530%0.295SS..SBendcis-78.4130.4-5.524.7-22000112.2W122 E123P110-W122 VanDerWaalsContact O-CD1 3.31Å; P110-E123 HydrophobicContact CG-CB 4.08Å; P110-E123 PolarHBondContact O-N 2.82Å
111S91Very high92Very high36 Ų3659.1 Ų59.125%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-127.7151.2171.850.80000111.7R108 I121R108-S111 WeakPolarHBondContact O-CB 3.47Å; R108-S111 PolarHBondContact O-N 3.09Å; R108-S111 PolarHBondContact O-OG 3.26Å; S111-I121 CarbonylContact C-O 3.57Å; S111-I121 WeakPolarHBondContact CA-O 3.13Å; S111-I121 WeakPolarHBondContact CB-O 3.1Å
112R92.3Very high91.9Very high90 Ų9059.3 Ų59.334%0.3430%0.296SS..EExtended strand (participates in β ladder)trans-133.6148.4178.565.9-177.3-165.7-110.1-1.2110.4I121 E123 E132R112-I121 HydrophobicContact CG-CB 4.02Å; R112-I121 PolarHBondContact N-O 3.09Å; R112-I121 PolarHBondContact O-N 3.05Å; R112-E123 WeakPolarHBondContact CD-OE1 3.27Å; R112-E123 IonicContact CZ-OE1 2.68Å; R112-E123 IonicContact NE-OE1 3.07Å; R112-E123 VanDerWaalsContact NH1-CD 3.33Å; R112-E123 IonicContact NH1-OE1 3.67Å; R112-E123 PolarHBondContact NH1-OE1 2.74Å; R112-E132 IonicContact CZ-OE1 3.08Å; R112-E132 IonicContact NH1-OE1 3.34Å; R112-E132 PolarHBondContact NH1-OE1 2.93Å; R112-E132 VanDerWaalsContact NH1-OE1 3.07Å; R112-E132 IonicContact NH2-OE1 3.73Å; R112-E132 PolarHBondContact NH2-OE1 2.82Å; R112-E132 IonicContact NH2-OE2 3.59Å; R112-E132 PolarHBondContact NH2-OE2 3.45Å; R112-E132 VanDerWaalsContact NH2-OE2 3.08Å
113Y92.6Very high91.5Very high35 Ų3562.8 Ų62.814%0.13731%0.312CS..EExtended strand (participates in β ladder)trans-93.5124.7174.3-174.8-109.4000110L85 K87 Y115 N118 W120L85-Y113 HydrophobicContact CB-CE2 4.46Å; K87-Y113 HydrophobicContact CB-CD1 4.17Å; K87-Y113 HydrophobicContact CB-CE1 4.42Å; Y113-Y115 AromaticContact CD1-CD1 3.82Å; Y113-Y115 HydrophobicContact CD1-CD1 3.82Å; Y113-Y115 HydrophobicContact CD1-CD2 4.29Å; Y113-Y115 AromaticContact CD1-CE1 3.74Å; Y113-Y115 HydrophobicContact CD1-CE1 3.74Å; Y113-Y115 HydrophobicContact CD1-CE2 4.22Å; Y113-Y115 HydrophobicContact CD1-CG 4.1Å; Y113-Y115 AromaticContact CD1-CZ 3.96Å; Y113-Y115 AromaticContact CE1-CD1 3.66Å; Y113-Y115 HydrophobicContact CE1-CD1 3.66Å; Y113-Y115 AromaticContact CE1-CE1 3.87Å; Y113-Y115 HydrophobicContact CE1-CE1 3.87Å; Y113-Y115 HydrophobicContact CE1-CG 4.17Å; Y113-N118 PolarHBondContact OH-OD1 2.88Å; Y113-W120 AromaticContact CD2-CD1 3.67Å; Y113-W120 AromaticContact CD2-CD2 3.95Å; Y113-W120 HydrophobicContact CD2-CD2 3.95Å; Y113-W120 AromaticContact CD2-CE2 3.6Å; Y113-W120 HydrophobicContact CD2-CG 4.04Å; Y113-W120 HydrophobicContact CD2-CZ2 4.15Å; Y113-W120 AromaticContact CD2-NE1 3.41Å; Y113-W120 AromaticContact CE2-NE1 3.89Å; Y113-W120 HydrophobicContact CG-CZ2 4.35Å
114D91.8Very high91.1Very high38 Ų3865.9 Ų65.920%0.20332%0.321CS..EExtended strand (participates in β ladder)trans-93112.2174.3-176.5-15.9000109.7E116 Q117 N118 A119 I121D114-E116 WeakPolarHBondContact OD1-CB 3.49Å; D114-E116 PolarHBondContact OD1-N 3.29Å; D114-Q117 HydrophobicContact CB-CB 4.45Å; D114-Q117 PolarHBondContact OD1-N 3.48Å; D114-Q117 VanDerWaalsContact OD2-CG 3.3Å; D114-Q117 WeakPolarHBondContact OD2-CG 3.28Å; D114-N118 VanDerWaalsContact O-CA 3.26Å; D114-N118 WeakPolarHBondContact O-CA 3.3Å; D114-N118 PolarHBondContact O-N 2.86Å; D114-A119 PolarHBondContact N-O 3.28Å; D114-A119 PolarHBondContact O-N 3.38Å; D114-I121 HydrophobicContact CB-CD1 3.91Å; D114-I121 HydrophobicContact CB-CG1 4.32Å
115Y89.9Confident90.7Very high149 Ų14968 Ų6858%0.58434%0.339SS*.THydrogen-bonded Turntrans-74.4-25.8179.9-64.6-87000113.4K87 Y113K87-Y115 VanDerWaalsContact CD-OH 3.29Å; K87-Y115 WeakPolarHBondContact CD-OH 3.26Å; K87-Y115 WeakPolarHBondContact CE-OH 3.38Å; Y113-Y115 AromaticContact CD1-CD1 3.82Å; Y113-Y115 HydrophobicContact CD1-CD1 3.82Å; Y113-Y115 HydrophobicContact CD1-CD2 4.29Å; Y113-Y115 AromaticContact CD1-CE1 3.74Å; Y113-Y115 HydrophobicContact CD1-CE1 3.74Å; Y113-Y115 HydrophobicContact CD1-CE2 4.22Å; Y113-Y115 HydrophobicContact CD1-CG 4.1Å; Y113-Y115 AromaticContact CD1-CZ 3.96Å; Y113-Y115 AromaticContact CE1-CD1 3.66Å; Y113-Y115 HydrophobicContact CE1-CD1 3.66Å; Y113-Y115 AromaticContact CE1-CE1 3.87Å; Y113-Y115 HydrophobicContact CE1-CE1 3.87Å; Y113-Y115 HydrophobicContact CE1-CG 4.17Å
116E89Confident90.1Very high170 Ų17066.4 Ų66.479%0.79433%0.327SS*.THydrogen-bonded Turntrans-75.5-40.7-179.5-62.7-174.3175.700110.3D114D114-E116 WeakPolarHBondContact OD1-CB 3.49Å; D114-E116 PolarHBondContact OD1-N 3.29Å
117Q86.2Confident89.5Confident102 Ų10270.4 Ų70.448%0.47735%0.347SS..THydrogen-bonded Turntrans-96-9.1-177.8-59.3-60.9-47.500113.9D114 A119D114-Q117 HydrophobicContact CB-CB 4.45Å; D114-Q117 PolarHBondContact OD1-N 3.48Å; D114-Q117 VanDerWaalsContact OD2-CG 3.3Å; D114-Q117 WeakPolarHBondContact OD2-CG 3.28Å; Q117-A119 HydrophobicContact CB-CB 4.12Å; Q117-A119 PolarHBondContact O-N 2.93Å
118N90Very high88.9Confident94 Ų9474.1 Ų74.150%0.50339%0.385SS..THydrogen-bonded Turntrans52.441.9-171.1-64.2-76.6000112.5Y113 D114Y113-N118 PolarHBondContact OH-OD1 2.88Å; D114-N118 VanDerWaalsContact O-CA 3.26Å; D114-N118 WeakPolarHBondContact O-CA 3.3Å; D114-N118 PolarHBondContact O-N 2.86Å
119A91.5Very high88.6Confident0 Ų080.8 Ų80.80%042%0.418CS..EExtended strand (participates in β ladder)trans-122.5151.2-174.200000110.9D114 Q117 D136D114-A119 PolarHBondContact N-O 3.28Å; D114-A119 PolarHBondContact O-N 3.38Å; Q117-A119 HydrophobicContact CB-CB 4.12Å; Q117-A119 PolarHBondContact O-N 2.93Å; A119-D136 WeakPolarHBondContact CB-OD1 3.13Å
120W94.2Very high88.4Confident17 Ų1781.8 Ų81.86%0.06442%0.42CS..EExtended strand (participates in β ladder)trans-95.3130166.6-85.594.1000109.2S86 K87 L90 A104 L107 Y113 R134 I135S86-W120 PolarHBondContact O-NE1 2.81Å; K87-W120 WeakPolarHBondContact O-CZ2 3.45Å; L90-W120 HydrophobicContact CD2-CG 4.15Å; A104-W120 HydrophobicContact CB-CH2 3.58Å; A104-W120 HydrophobicContact CB-CZ2 3.67Å; L107-W120 HydrophobicContact CD1-CB 4.38Å; L107-W120 HydrophobicContact CD1-CD2 3.28Å; L107-W120 HydrophobicContact CD1-CE3 3.48Å; L107-W120 VanDerWaalsContact CD1-CE3 3.48Å; L107-W120 HydrophobicContact CD1-CG 3.72Å; L107-W120 HydrophobicContact CD1-CH2 4.12Å; L107-W120 HydrophobicContact CD1-CZ2 3.96Å; L107-W120 HydrophobicContact CD1-CZ3 3.89Å; Y113-W120 AromaticContact CD2-CD1 3.67Å; Y113-W120 AromaticContact CD2-CD2 3.95Å; Y113-W120 HydrophobicContact CD2-CD2 3.95Å; Y113-W120 AromaticContact CD2-CE2 3.6Å; Y113-W120 HydrophobicContact CD2-CG 4.04Å; Y113-W120 HydrophobicContact CD2-CZ2 4.15Å; Y113-W120 AromaticContact CD2-NE1 3.41Å; Y113-W120 AromaticContact CE2-NE1 3.89Å; Y113-W120 HydrophobicContact CG-CZ2 4.35Å; W120-R134 CarbonylContact O-C 3.57Å; W120-R134 WeakPolarHBondContact O-CA 3.3Å; W120-I135 HydrophobicContact CB-CB 4.18Å; W120-I135 HydrophobicContact CB-CD1 4.17Å; W120-I135 HydrophobicContact CB-CG1 4.36Å; W120-I135 PolarHBondContact N-O 3.08Å; W120-I135 PolarHBondContact O-N 3.18Å
121I92.7Very high88.3Confident4 Ų480.2 Ų80.22%0.02141%0.413CS..EExtended strand (participates in β ladder)trans-112.2121.4179.8-51.5-178.7000107.6S111 R112 D114 E132 R134S111-I121 CarbonylContact C-O 3.57Å; S111-I121 WeakPolarHBondContact CA-O 3.13Å; S111-I121 WeakPolarHBondContact CB-O 3.1Å; R112-I121 HydrophobicContact CG-CB 4.02Å; R112-I121 PolarHBondContact N-O 3.09Å; R112-I121 PolarHBondContact O-N 3.05Å; D114-I121 HydrophobicContact CB-CD1 3.91Å; D114-I121 HydrophobicContact CB-CG1 4.32Å; I121-E132 HydrophobicContact CG2-CB 3.85Å; I121-E132 HydrophobicContact CG2-CG 4.28Å; I121-R134 HydrophobicContact CG1-CG 4.28Å
122W92.9Very high88.2Confident21 Ų2184 Ų848%0.0843%0.427CS..EExtended strand (participates in β ladder)trans-95.1122.1168.3173.138.3000109.1R108 P110 Y124 L133 W202R108-W122 HydrophobicContact CB-CD2 4.25Å; R108-W122 HydrophobicContact CB-CG 4.18Å; R108-W122 HydrophobicContact CG-CD2 4.17Å; R108-W122 HydrophobicContact CG-CG 4.39Å; R108-W122 HydrophobicContact CG-CZ2 4.08Å; P110-W122 VanDerWaalsContact O-CD1 3.31Å; W122-Y124 AromaticContact CH2-CD2 3.38Å; W122-Y124 HydrophobicContact CH2-CD2 3.38Å; W122-Y124 HydrophobicContact CH2-CE2 4.03Å; W122-Y124 AromaticContact CH2-CG 3.92Å; W122-Y124 HydrophobicContact CH2-CG 3.92Å; W122-Y124 AromaticContact CZ2-CD2 3.34Å; W122-Y124 HydrophobicContact CZ2-CD2 3.34Å; W122-Y124 HydrophobicContact CZ2-CE2 4.19Å; W122-Y124 HydrophobicContact CZ2-CG 4.03Å; W122-Y124 HydrophobicContact CZ3-CD2 4.45Å; W122-Y124 PolarHBondContact O-N 2.76Å; W122-L133 HydrophobicContact CD2-CD1 4.48Å; W122-L133 HydrophobicContact CE3-CB 4.04Å; W122-L133 HydrophobicContact CE3-CD1 3.54Å; W122-L133 HydrophobicContact CE3-CG 4.4Å; W122-L133 HydrophobicContact CH2-CD1 4.14Å; W122-L133 HydrophobicContact CZ3-CD1 3.34Å; W122-L133 PolarHBondContact N-O 2.93Å; W122-L133 PolarHBondContact O-N 3.4Å; W122-W202 HydrophobicContact CB-CH2 4.34Å; W122-W202 HydrophobicContact CE3-CD2 4.38Å; W122-W202 AromaticContact CE3-CE3 3.84Å; W122-W202 HydrophobicContact CE3-CE3 3.84Å; W122-W202 HydrophobicContact CE3-CH2 4.09Å; W122-W202 AromaticContact CE3-CZ3 3.69Å; W122-W202 HydrophobicContact CE3-CZ3 3.69Å; W122-W202 HydrophobicContact CZ3-CE3 4.03Å; W122-W202 HydrophobicContact CZ3-CZ3 4.28Å
123E89Confident88.2Confident73 Ų7381.8 Ų81.834%0.34142%0.422SS..EExtended strand (participates in β ladder)trans-84.6101.1175.4-70.3173.5-157.800108.9P110 R112P110-E123 HydrophobicContact CG-CB 4.08Å; P110-E123 PolarHBondContact O-N 2.82Å; R112-E123 WeakPolarHBondContact CD-OE1 3.27Å; R112-E123 IonicContact CZ-OE1 2.68Å; R112-E123 IonicContact NE-OE1 3.07Å; R112-E123 VanDerWaalsContact NH1-CD 3.33Å; R112-E123 IonicContact NH1-OE1 3.67Å; R112-E123 PolarHBondContact NH1-OE1 2.74Å
124Y86.8Confident88.2Confident90 Ų9084.4 Ų84.435%0.35343%0.431SS..EExtended strand (participates in β ladder)trans-89.9120.8175.8179.8-119.6000110W122 Y126 T130 A131 L133W122-Y124 AromaticContact CH2-CD2 3.38Å; W122-Y124 HydrophobicContact CH2-CD2 3.38Å; W122-Y124 HydrophobicContact CH2-CE2 4.03Å; W122-Y124 AromaticContact CH2-CG 3.92Å; W122-Y124 HydrophobicContact CH2-CG 3.92Å; W122-Y124 AromaticContact CZ2-CD2 3.34Å; W122-Y124 HydrophobicContact CZ2-CD2 3.34Å; W122-Y124 HydrophobicContact CZ2-CE2 4.19Å; W122-Y124 HydrophobicContact CZ2-CG 4.03Å; W122-Y124 HydrophobicContact CZ3-CD2 4.45Å; W122-Y124 PolarHBondContact O-N 2.76Å; Y124-Y126 HydrophobicContact CE1-CG 4.27Å; Y124-Y126 VanDerWaalsContact OH-CD2 3.31Å; Y124-Y126 WeakPolarHBondContact OH-CD2 3.49Å; Y124-T130 CarbonylContact O-C 3.57Å; Y124-T130 WeakPolarHBondContact O-CA 3.2Å; Y124-A131 HydrophobicContact CD1-CB 4.4Å; Y124-A131 PolarHBondContact N-O 2.8Å; Y124-A131 PolarHBondContact O-N 3.32Å; Y124-L133 HydrophobicContact CG-CD1 4.39Å
125A83.6Confident88.4Confident74 Ų7482.9 Ų82.961%0.61242%0.423SS*.EExtended strand (participates in β ladder)trans-106121.5174.200000110.1E129 T130A125-E129 WeakPolarHBondContact CA-O 3.43Å; A125-T130 HydrophobicContact CB-CG2 4.37Å
126Y81.8Confident88.6Confident128 Ų12878.2 Ų78.250%0.50241%0.408SS..EExtended strand (participates in β ladder)trans-136.3127.4175.9-173.9-94.3000110.2Y124 G128 E129Y124-Y126 HydrophobicContact CE1-CG 4.27Å; Y124-Y126 VanDerWaalsContact OH-CD2 3.31Å; Y124-Y126 WeakPolarHBondContact OH-CD2 3.49Å; Y126-G128 PolarHBondContact O-N 3.44Å; Y126-E129 PolarHBondContact N-O 3.32Å; Y126-E129 PolarHBondContact O-N 2.84Å
127E81.4Confident88.8Confident163 Ų16375.7 Ų75.776%0.76240%0.395SS*.THydrogen-bonded Turntrans4831177.6-70.4-177.4-16400115.6
128G81.1Confident89.3Confident81 Ų8177 Ų7784%0.83540%0.401SS*.THydrogen-bonded Turntrans89.8-6.7179.200000114.8Y126Y126-G128 PolarHBondContact O-N 3.44Å
129E83.5Confident89.5Confident160 Ų16074.6 Ų74.675%0.74839%0.387SS*.EExtended strand (participates in β ladder)trans-90.5142.7169-63.9-173.4172.600110.2A125 Y126A125-E129 WeakPolarHBondContact CA-O 3.43Å; Y126-E129 PolarHBondContact N-O 3.32Å; Y126-E129 PolarHBondContact O-N 2.84Å
130T84.5Confident89.7Confident116 Ų11677.4 Ų77.471%0.71241%0.405SS*.EExtended strand (participates in β ladder)trans-109.8124.6173.550.40000108.4Y124 A125Y124-T130 CarbonylContact O-C 3.57Å; Y124-T130 WeakPolarHBondContact O-CA 3.2Å; A125-T130 HydrophobicContact CB-CG2 4.37Å
131A88.3Confident89.8Confident44 Ų4476.6 Ų76.636%0.36440%0.402SS..EExtended strand (participates in β ladder)trans-113.4137.1175.300000109.1Y124Y124-A131 HydrophobicContact CD1-CB 4.4Å; Y124-A131 PolarHBondContact N-O 2.8Å; Y124-A131 PolarHBondContact O-N 3.32Å
132E90.1Very high90Very high114 Ų11480.2 Ų80.253%0.53342%0.415SS..EExtended strand (participates in β ladder)trans-98.5109.5177.9-62-166.3161.500109.4R112 I121R112-E132 IonicContact CZ-OE1 3.08Å; R112-E132 IonicContact NH1-OE1 3.34Å; R112-E132 PolarHBondContact NH1-OE1 2.93Å; R112-E132 VanDerWaalsContact NH1-OE1 3.07Å; R112-E132 IonicContact NH2-OE1 3.73Å; R112-E132 PolarHBondContact NH2-OE1 2.82Å; R112-E132 IonicContact NH2-OE2 3.59Å; R112-E132 PolarHBondContact NH2-OE2 3.45Å; R112-E132 VanDerWaalsContact NH2-OE2 3.08Å; I121-E132 HydrophobicContact CG2-CB 3.85Å; I121-E132 HydrophobicContact CG2-CG 4.28Å
133L92Very high90.2Very high44 Ų4479.2 Ų79.223%0.2341%0.411CS..EExtended strand (participates in β ladder)trans-100.6114.4179-66.7177.6000109.1W122 Y124 W202W122-L133 HydrophobicContact CD2-CD1 4.48Å; W122-L133 HydrophobicContact CE3-CB 4.04Å; W122-L133 HydrophobicContact CE3-CD1 3.54Å; W122-L133 HydrophobicContact CE3-CG 4.4Å; W122-L133 HydrophobicContact CH2-CD1 4.14Å; W122-L133 HydrophobicContact CZ3-CD1 3.34Å; W122-L133 PolarHBondContact N-O 2.93Å; W122-L133 PolarHBondContact O-N 3.4Å; Y124-L133 HydrophobicContact CG-CD1 4.39Å; L133-W202 HydrophobicContact CB-CD2 4.32Å; L133-W202 HydrophobicContact CB-CZ2 4.04Å; L133-W202 HydrophobicContact CD1-CB 4.49Å; L133-W202 HydrophobicContact CD1-CD2 4.39Å; L133-W202 HydrophobicContact CD1-CG 4.21Å
134R92.7Very high90.6Very high90 Ų9080 Ų8034%0.3441%0.411SS..EExtended strand (participates in β ladder)trans-91.9147-175-65.5178.353.6155.20.2111.7W120 I121 D136 W202W120-R134 CarbonylContact O-C 3.57Å; W120-R134 WeakPolarHBondContact O-CA 3.3Å; I121-R134 HydrophobicContact CG1-CG 4.28Å; R134-D136 IonicContact CZ-OD1 3.05Å; R134-D136 IonicContact CZ-OD2 2.7Å; R134-D136 IonicContact NE-OD1 3.58Å; R134-D136 IonicContact NE-OD2 3.68Å; R134-D136 PolarHBondContact NE-OD2 3.25Å; R134-D136 IonicContact NH2-OD1 2.74Å; R134-D136 PolarHBondContact NH2-OD1 3.25Å; R134-D136 IonicContact NH2-OD2 3.95Å; R134-W202 WeakPolarHBondContact O-CZ2 3.16Å; R134-W202 PolarHBondContact O-NE1 2.82Å
135I94.9Very high91.2Very high6 Ų675.7 Ų75.73%0.03140%0.395CS..EExtended strand (participates in β ladder)trans-113.1112.6164.1-47.5179.5000106V82 L85 L90 L107 W120 I141 V199 W202V82-I135 HydrophobicContact CG2-CG2 3.98Å; L85-I135 HydrophobicContact CD2-CB 4.29Å; L85-I135 HydrophobicContact CD2-CG2 4.06Å; L85-I135 WeakPolarHBondContact CD2-O 3.04Å; L90-I135 HydrophobicContact CD1-CD1 3.91Å; L90-I135 HydrophobicContact CD1-CG2 4.16Å; L90-I135 HydrophobicContact CD2-CG2 4.35Å; L107-I135 HydrophobicContact CD2-CD1 4.48Å; W120-I135 HydrophobicContact CB-CB 4.18Å; W120-I135 HydrophobicContact CB-CD1 4.17Å; W120-I135 HydrophobicContact CB-CG1 4.36Å; W120-I135 PolarHBondContact N-O 3.08Å; W120-I135 PolarHBondContact O-N 3.18Å; I135-I141 HydrophobicContact CD1-CD1 4.45Å; I135-I141 HydrophobicContact CG2-CD1 4.44Å; I135-V199 HydrophobicContact CB-CG2 4.2Å; I135-V199 HydrophobicContact CG1-CG2 3.88Å; I135-V199 HydrophobicContact CG2-CG2 4.05Å; I135-W202 HydrophobicContact CD1-CH2 3.74Å; I135-W202 HydrophobicContact CD1-CZ2 4.23Å; I135-W202 HydrophobicContact CG1-CH2 3.49Å; I135-W202 VanDerWaalsContact CG1-CH2 3.49Å; I135-W202 HydrophobicContact CG1-CZ2 3.45Å; I135-W202 VanDerWaalsContact CG1-CZ2 3.45Å
136D93.9Very high91.8Very high51 Ų5174.5 Ų74.527%0.27338%0.38SS..  trans-109.5170.6178-69.4-65.1000110.6A119 R134 D139A119-D136 WeakPolarHBondContact CB-OD1 3.13Å; R134-D136 IonicContact CZ-OD1 3.05Å; R134-D136 IonicContact CZ-OD2 2.7Å; R134-D136 IonicContact NE-OD1 3.58Å; R134-D136 IonicContact NE-OD2 3.68Å; R134-D136 PolarHBondContact NE-OD2 3.25Å; R134-D136 IonicContact NH2-OD1 2.74Å; R134-D136 PolarHBondContact NH2-OD1 3.25Å; R134-D136 IonicContact NH2-OD2 3.95Å; D136-D139 PolarHBondContact N-OD2 3.14Å; D136-D139 WeakPolarHBondContact O-CB 3.37Å; D136-D139 PolarHBondContact O-N 3.13Å
137K94.4Very high92.4Very high118 Ų11873.6 Ų73.651%0.51338%0.38SS..THydrogen-bonded Turntrans-68.2140.2176.6-171.2-173.1172.2-178.90109.9K83 L85 D139K83-K137 WeakPolarHBondContact O-CE 3.36Å; L85-K137 HydrophobicContact CD1-CB 3.84Å; K137-D139 VanDerWaalsContact C-N 3.26Å
138H95.6Very high93Very high130 Ų13068.3 Ų68.360%0.60236%0.355SS*.THydrogen-bonded Turntrans746.5-175.4-44.198.2000115.3I81 V82I81-H138 HydrophobicContact CG2-CB 4.43Å; V82-H138 WeakPolarHBondContact O-CA 3.34Å; V82-H138 PolarHBondContact O-N 3.34Å
139D95.2Very high93.6Very high42 Ų4265.9 Ų65.923%0.22532%0.324CS..  trans-67.5142.9171.8-78.4-10.8000111.5I81 V82 D136 K137 V199I81-D139 WeakPolarHBondContact CA-O 3.48Å; V82-D139 HydrophobicContact CG2-CB 4.41Å; V82-D139 PolarHBondContact N-O 2.86Å; D136-D139 PolarHBondContact N-OD2 3.14Å; D136-D139 WeakPolarHBondContact O-CB 3.37Å; D136-D139 PolarHBondContact O-N 3.13Å; K137-D139 VanDerWaalsContact C-N 3.26Å; D139-V199 HydrophobicContact CB-CG1 4.01Å; D139-V199 HydrophobicContact CB-CG2 4.29Å
140T96.2Very high94Very high59 Ų5960.2 Ų60.236%0.36230%0.296SS..EExtended strand (participates in β ladder)trans-80.8118.3171.6-56.50000109.1I79 G80 V199 T200I79-T140 HydrophobicContact CG2-CG2 3.38Å; G80-T140 CarbonylContact O-C 3.59Å; G80-T140 WeakPolarHBondContact O-CA 3.44Å; T140-V199 WeakPolarHBondContact O-CA 3.19Å; T140-T200 HydrophobicContact CG2-CG2 3.86Å; T140-T200 PolarHBondContact O-N 2.98Å; T140-T200 PolarHBondContact O-OG1 2.95Å
141I96.1Very high94.1Very high0 Ų056.3 Ų56.30%027%0.273CS..EExtended strand (participates in β ladder)trans-119.3131.7-174.8-167.2163.3000110.9I79 G80 V82 L90 V92 I102 I135 F143 V192 G198I79-I141 WeakPolarHBondContact CA-O 3.41Å; G80-I141 PolarHBondContact N-O 3.01Å; G80-I141 PolarHBondContact O-N 3.12Å; V82-I141 HydrophobicContact CG2-CB 4.01Å; V82-I141 HydrophobicContact CG2-CD1 4.25Å; V82-I141 HydrophobicContact CG2-CG2 3.74Å; L90-I141 HydrophobicContact CD1-CD1 3.62Å; V92-I141 HydrophobicContact CB-CG2 4.48Å; V92-I141 HydrophobicContact CG1-CG2 3.81Å; V92-I141 HydrophobicContact CG2-CG2 3.75Å; I102-I141 HydrophobicContact CD1-CD1 4.19Å; I135-I141 HydrophobicContact CD1-CD1 4.45Å; I135-I141 HydrophobicContact CG2-CD1 4.44Å; I141-F143 HydrophobicContact CG2-CD1 4.48Å; I141-V192 HydrophobicContact CD1-CG1 4.02Å; I141-V192 HydrophobicContact CG1-CG1 4.12Å; I141-G198 WeakPolarHBondContact CA-O 3.3Å
142R96.7Very high93.7Very high81 Ų8158.2 Ų58.231%0.30628%0.277SS..EExtended strand (participates in β ladder)trans-96124.7171.7-170.4-175.3-58.1148.2-7109I77 L78 I79 G196 L197 G198 T200I77-R142 HydrophobicContact CG2-CG 3.38Å; L78-R142 WeakPolarHBondContact O-CA 3.22Å; I79-R142 HydrophobicContact CG1-CB 4.35Å; I79-R142 HydrophobicContact CG1-CG 4.13Å; R142-G196 VanDerWaalsContact CD-O 3.31Å; R142-G196 WeakPolarHBondContact CD-O 3.47Å; R142-G196 PolarHBondContact NH1-O 2.98Å; R142-L197 HydrophobicContact CG-CD2 3.91Å; R142-L197 CarbonylContact O-C 3.48Å; R142-L197 WeakPolarHBondContact O-CA 3.48Å; R142-L197 WeakPolarHBondContact O-CB 3.45Å; R142-G198 PolarHBondContact N-O 2.98Å; R142-G198 PolarHBondContact O-N 2.84Å; R142-T200 HydrophobicContact CB-CG2 4.44Å
143F97.3Very high92.6Very high0 Ų057.8 Ų57.80%028%0.284CS..EExtended strand (participates in β ladder)trans-136.6154.2-178.365.3-85.5000111I77 L78 V92 L94 V100 I102 I141 V145 I188 S191 V192I77-F143 WeakPolarHBondContact CA-O 3.05Å; L78-F143 HydrophobicContact CB-CE1 3.9Å; L78-F143 HydrophobicContact CB-CE2 3.97Å; L78-F143 HydrophobicContact CB-CZ 3.56Å; L78-F143 HydrophobicContact CD1-CE2 4.19Å; L78-F143 HydrophobicContact CD1-CZ 4.06Å; L78-F143 HydrophobicContact CG-CZ 4.42Å; L78-F143 PolarHBondContact N-O 3.24Å; L78-F143 PolarHBondContact O-N 3.02Å; V92-F143 HydrophobicContact CG1-CD1 4.31Å; V92-F143 HydrophobicContact CG1-CE1 3.81Å; L94-F143 HydrophobicContact CD2-CE1 4.08Å; L94-F143 HydrophobicContact CD2-CZ 4.06Å; V100-F143 HydrophobicContact CB-CZ 4.49Å; V100-F143 HydrophobicContact CG1-CD2 4.36Å; V100-F143 HydrophobicContact CG1-CE1 4.25Å; V100-F143 HydrophobicContact CG1-CE2 3.59Å; V100-F143 HydrophobicContact CG1-CZ 3.53Å; V100-F143 HydrophobicContact CG2-CZ 4.34Å; I102-F143 HydrophobicContact CD1-CB 3.72Å; I102-F143 HydrophobicContact CD1-CD1 4.34Å; I102-F143 HydrophobicContact CD1-CG 4Å; I141-F143 HydrophobicContact CG2-CD1 4.48Å; F143-V145 HydrophobicContact CE2-CG2 4.28Å; F143-I188 HydrophobicContact CE2-CG2 4.45Å; F143-S191 WeakPolarHBondContact CA-O 3.4Å; F143-V192 HydrophobicContact CB-CG1 3.79Å
144R97.7Very high91.7Very high88 Ų8859.8 Ų59.833%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-93.9132.9172-177.8175.7-63.8148.43.1109.5D75 E76 I77 V146 G190 S191 L197D75-R144 HydrophobicContact CB-CG 4.5Å; D75-R144 WeakPolarHBondContact OD1-CD 3.43Å; E76-R144 CarbonylContact O-C 3.48Å; E76-R144 WeakPolarHBondContact O-CA 3.32Å; I77-R144 HydrophobicContact CD1-CB 3.47Å; I77-R144 VanDerWaalsContact CD1-CB 3.47Å; I77-R144 HydrophobicContact CD1-CG 3.72Å; R144-V146 PolarHBondContact O-N 3.29Å; R144-G190 CarbonylContact O-C 3.59Å; R144-G190 WeakPolarHBondContact O-CA 3.25Å; R144-S191 PolarHBondContact N-O 2.76Å; R144-S191 PolarHBondContact O-N 3.4Å; R144-L197 HydrophobicContact CB-CD1 3.88Å
145V97.5Very high90.4Very high1 Ų161.1 Ų61.11%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-68.6122.3169.4177.70000108.8P72 F73 I74 D75 E76 L78 F143 I188P72-V145 HydrophobicContact CB-CG2 4.16Å; P72-V145 HydrophobicContact CG-CG2 4.21Å; F73-V145 WeakPolarHBondContact O-CB 3.44Å; I74-V145 HydrophobicContact CD1-CG1 4.08Å; D75-V145 WeakPolarHBondContact CA-O 3.26Å; D75-V145 PolarHBondContact N-O 2.89Å; E76-V145 PolarHBondContact O-N 3.44Å; L78-V145 HydrophobicContact CD1-CG2 3.78Å; L78-V145 HydrophobicContact CG-CG2 4.21Å; F143-V145 HydrophobicContact CE2-CG2 4.28Å; V145-I188 HydrophobicContact CB-CG2 4.45Å; V145-I188 HydrophobicContact CG1-CG2 3.98Å; V145-I188 HydrophobicContact CG2-CG2 3.89Å
146V96.3Very high88.7Confident49 Ų4967.8 Ų67.830%0.29735%0.351SS..EExtended strand (participates in β ladder)trans-107.1-37179.8176.80000111.2R144 I189R144-V146 PolarHBondContact O-N 3.29Å; V146-I189 PolarHBondContact N-O 2.95Å
147E94.8Very high86.5Confident108 Ų10868.7 Ų68.751%0.50536%0.362SS..EExtended strand (participates in β ladder)trans-149.1148.7-176178.7178.7-173.800110.6V149 I189E147-V149 HydrophobicContact CG-CG2 4.21Å; E147-I189 HydrophobicContact CB-CB 3.97Å; E147-I189 HydrophobicContact CB-CG1 4.26Å; E147-I189 PolarHBondContact N-O 2.99Å; E147-I189 PolarHBondContact O-N 3.12Å
148E94Very high84.3Confident53 Ų5369.5 Ų69.525%0.24837%0.371CS..EExtended strand (participates in β ladder)trans-114.3129.1170.164.5171.7168.300109.8R71 I74 W150 Y186R71-E148 IonicContact CZ-OE1 3.02Å; R71-E148 IonicContact CZ-OE2 3.18Å; R71-E148 IonicContact NE-OE1 3.03Å; R71-E148 IonicContact NE-OE2 2.76Å; R71-E148 PolarHBondContact NE-OE2 2.94Å; R71-E148 IonicContact NH2-OE1 2.81Å; R71-E148 PolarHBondContact NH2-OE1 2.93Å; R71-E148 IonicContact NH2-OE2 3.79Å; I74-E148 HydrophobicContact CD1-CG 4.49Å; E148-W150 PolarHBondContact OE2-NE1 2.89Å; E148-W150 VanDerWaalsContact OE2-NE1 3.13Å; E148-Y186 HydrophobicContact CB-CE2 3.96Å
149V93.5Very high81.7Confident30 Ų3073.4 Ų73.418%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-114.8129.6-178.4-178.20000109.2E147 L182 Y186 T187 I189E147-V149 HydrophobicContact CG-CG2 4.21Å; V149-L182 HydrophobicContact CB-CD2 4.27Å; V149-L182 HydrophobicContact CG1-CD1 4.03Å; V149-L182 HydrophobicContact CG1-CD2 3.83Å; V149-Y186 WeakPolarHBondContact O-CA 3.22Å; V149-T187 PolarHBondContact N-O 3.26Å; V149-T187 PolarHBondContact O-N 2.89Å; V149-I189 HydrophobicContact CG2-CD1 4.47Å; V149-I189 HydrophobicContact CG2-CG1 3.96Å
150W92.2Very high78.8Confident41 Ų4176 Ų7616%0.15540%0.404CS..EExtended strand (participates in β ladder)trans-118.4119.8-178.2-68.193.1000110.6V31 I32 Y33 K34 E148 Y186V31-W150 HydrophobicContact CG1-CZ3 3.81Å; I32-W150 VanDerWaalsContact O-CZ3 3.29Å; I32-W150 WeakPolarHBondContact O-CZ3 3.35Å; Y33-W150 HydrophobicContact CD2-CB 4.09Å; Y33-W150 HydrophobicContact CD2-CE3 4.15Å; Y33-W150 HydrophobicContact CE2-CB 3.58Å; Y33-W150 HydrophobicContact CE2-CG 4.44Å; K34-W150 HydrophobicContact CG-CD2 4.46Å; K34-W150 HydrophobicContact CG-CG 4.44Å; E148-W150 PolarHBondContact OE2-NE1 2.89Å; E148-W150 VanDerWaalsContact OE2-NE1 3.13Å; W150-Y186 AromaticContact CD2-CD2 3.73Å; W150-Y186 HydrophobicContact CD2-CD2 3.73Å; W150-Y186 HydrophobicContact CD2-CE2 4.22Å; W150-Y186 AromaticContact CE2-CD2 3.53Å; W150-Y186 AromaticContact CE2-CE2 3.54Å; W150-Y186 AromaticContact CE3-CD2 3.8Å; W150-Y186 HydrophobicContact CE3-CD2 3.8Å; W150-Y186 HydrophobicContact CE3-CG 4.31Å; W150-Y186 HydrophobicContact CG-CD2 4.49Å; W150-Y186 HydrophobicContact CH2-CD1 4.43Å; W150-Y186 AromaticContact CH2-CD2 3.51Å; W150-Y186 HydrophobicContact CH2-CD2 3.51Å; W150-Y186 AromaticContact CH2-CE2 3.74Å; W150-Y186 HydrophobicContact CH2-CE2 3.74Å; W150-Y186 AromaticContact CH2-CG 3.88Å; W150-Y186 HydrophobicContact CH2-CG 3.88Å; W150-Y186 AromaticContact CZ2-CD2 3.45Å; W150-Y186 HydrophobicContact CZ2-CD2 3.45Å; W150-Y186 VanDerWaalsContact CZ2-CD2 3.45Å; W150-Y186 AromaticContact CZ2-CE2 3.29Å; W150-Y186 HydrophobicContact CZ2-CE2 3.29Å; W150-Y186 HydrophobicContact CZ2-CG 4.27Å; W150-Y186 AromaticContact CZ3-CD2 3.69Å; W150-Y186 HydrophobicContact CZ3-CD2 3.69Å; W150-Y186 HydrophobicContact CZ3-CE2 4.38Å; W150-Y186 AromaticContact CZ3-CG 3.92Å; W150-Y186 HydrophobicContact CZ3-CG 3.92Å; W150-Y186 AromaticContact NE1-CE2 3.92Å
151S87.6Confident75.7Confident34 Ų3480.1 Ų80.124%0.23842%0.424CS..  trans-98.3120173.6-57.70000109P153 L182 A184 P185S151-P153 WeakPolarHBondContact O-CD 3.24Å; S151-L182 PolarHBondContact OG-O 2.93Å; S151-A184 PolarHBondContact OG-O 3.43Å; S151-P185 PolarHBondContact N-O 3.03Å; S151-P185 VanDerWaalsContact N-O 3.1Å
152D78.4Confident72.7Confident83 Ų8387.8 Ų87.844%0.44446%0.463SS..  trans-69.2124.8175.8-166.9-25.8000109.1Y33 N154Y33-D152 HydrophobicContact CE2-CB 4.22Å; D152-N154 PolarHBondContact O-N 2.86Å; D152-N154 VanDerWaalsContact OD1-CB 3.3Å; D152-N154 WeakPolarHBondContact OD1-CB 3.3Å; D152-N154 PolarHBondContact OD1-N 3.07Å
153P68.7Low69.7Low105 Ų10588.7 Ų88.768%0.68248%0.482SS*.  trans-68.9-11.5175.628.9-36.6000113.7S151 P155S151-P153 WeakPolarHBondContact O-CD 3.24Å; P153-P155 VanDerWaalsContact O-CD 3.3Å; P153-P155 WeakPolarHBondContact O-CD 3.48Å
154N71.8Confident66.4Low87 Ų8794.7 Ų94.747%0.46552%0.519SS..  trans-74117-178.9-165.732.7000111D152 D156D152-N154 PolarHBondContact O-N 2.86Å; D152-N154 VanDerWaalsContact OD1-CB 3.3Å; D152-N154 WeakPolarHBondContact OD1-CB 3.3Å; D152-N154 PolarHBondContact OD1-N 3.07Å; N154-D156 PolarHBondContact O-N 3.42Å; N154-D156 VanDerWaalsContact O-N 3.08Å
155P64.8Low63.2Low118 Ų11895.8 Ų95.877%0.76654%0.54SS*.THydrogen-bonded Turntrans-67.2-9-178.426.6-34.8000114.6P153P153-P155 VanDerWaalsContact O-CD 3.3Å; P153-P155 WeakPolarHBondContact O-CD 3.48Å
156D59.5Low60Low146 Ų146103.2 Ų103.278%0.78158%0.58SS**THydrogen-bonded Turntrans-93.64.3-167.8-87.3-15.4000116.2N154N154-D156 PolarHBondContact O-N 3.42Å; N154-D156 VanDerWaalsContact O-N 3.08Å
157S49.3Very low56.8Low70 Ų70108.5 Ų108.549%0.4961%0.606SS.*SBendtrans-139.375.5173.364.20000113.1
158D47Very low54.1Low134 Ų134108.5 Ų108.572%0.71762%0.616SS**  trans-164.590.4131.2-99.6-27.1000112.1T160D158-T160 PolarHBondContact OD1-OG1 3.28Å
159K41.1Very low51Low213 Ų213114 Ų11493%0.92665%0.646SS**  trans-117.659.3148.8-74.2-173.4-178.5175.90108.1
160T34Very low47.9Very low95 Ų95121.7 Ų121.758%0.58368%0.68SS**  trans-154.385178.125.70000106.6D158D158-T160 PolarHBondContact OD1-OG1 3.28Å
161N32.5Very low45.1Very low146 Ų146131.9 Ų131.978%0.78172%0.72SS**  -158.894.975.7-78.2-39.7000110.6S163N161-S163 PolarHBondContact O-N 3.1Å
162I33.2Very low42.3Very low162 Ų162133.2 Ų133.283%0.83174%0.739SS**  trans-80.984.6145.1-62.7165.5000104.7T164I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 HydrophobicContact CG2-CG2 4.47Å; I162-T164 PolarHBondContact O-N 3.18Å
163S31.7Very low40.4Very low99 Ų99137 Ų13769%0.69276%0.759SS**  trans-77.897.4160.6-75.40000107N161 S165N161-S163 PolarHBondContact O-N 3.1Å; S163-S165 PolarHBondContact O-N 2.92Å
164T28.3Very low38.8Very low126 Ų126136.4 Ų136.477%0.77376%0.758SS**  trans-43.7117.1164.5460000111.9I162I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 HydrophobicContact CG2-CG2 4.47Å; I162-T164 PolarHBondContact O-N 3.18Å
165S31.8Very low37.4Very low112 Ų112136.4 Ų136.478%0.78376%0.758SS**  trans-145.3119.7139.444.50000108.3S163 D167S163-S165 PolarHBondContact O-N 2.92Å; S165-D167 PolarHBondContact O-N 3.25Å
166N29.4Very low36.3Very low157 Ų157136.6 Ų136.684%0.8475%0.752SS**  trans-61.6116.8170-63.4-38.2000107.6
167D30.2Very low35.7Very low159 Ų159136.3 Ų136.385%0.8575%0.75SS**  trans-159124.6140.2-96.7-32.5000109.6S165S165-D167 PolarHBondContact O-N 3.25Å
168P37.3Very low35.6Very low109 Ų109136.6 Ų136.671%0.70875%0.752SS**  trans-83.2145.4178.831.6-29.6000110.5
169L28.8Very low35.7Very low167 Ų167135.3 Ų135.387%0.87475%0.745SS**  trans89.688.5170.7-48169.8000115
170E28.1Very low36.2Very low193 Ų193126.8 Ų126.890%0.90271%0.709SS**  -159.9128.7128.9-110.8168-162.500109.7G172E170-G172 PolarHBondContact O-N 3.34Å
171Y34.3Very low37.1Very low255 Ų255128.6 Ų128.6100%171%0.711SS**  trans-73.666.9177.7-130.9-99.8000108.1
172G28.7Very low38.3Very low61 Ų61124.1 Ų124.163%0.62969%0.686SS**  trans-11394.9-179.700000109.3E170 S174E170-G172 PolarHBondContact O-N 3.34Å; G172-S174 VanDerWaalsContact C-N 3.29Å; G172-S174 PolarHBondContact O-N 2.81Å
173D37.5Very low40.3Very low162 Ų162125.3 Ų125.387%0.86669%0.686SS**  trans-2.869170.2-144.27.3000116.4N175D173-N175 PolarHBondContact O-N 3.02Å; D173-N175 VanDerWaalsContact O-N 3.16Å
174S35.9Very low42.8Very low94 Ų94121.2 Ų121.266%0.65766%0.658SS**  trans-70.1104.9162.655.90000106.6G172G172-S174 VanDerWaalsContact C-N 3.29Å; G172-S174 PolarHBondContact O-N 2.81Å
175N41.2Very low45.8Very low86 Ų86117.9 Ų117.946%0.4664%0.638SS.*  trans155.672.9137.3-75.4-33.8000111.5D173 D177 S178D173-N175 PolarHBondContact O-N 3.02Å; D173-N175 VanDerWaalsContact O-N 3.16Å; N175-D177 PolarHBondContact O-N 3.03Å; N175-S178 WeakPolarHBondContact CB-OG 3.29Å
176L42.8Very low48.8Very low123 Ų123112.6 Ų112.664%0.64460%0.601SS**Hα-helixtrans-60-32.1154.5-173.162000110.1S178 I180L176-S178 PolarHBondContact O-N 2.96Å; L176-I180 HydrophobicContact CD1-CD1 4.46Å; L176-I180 HydrophobicContact CG-CD1 4.49Å
177D46.1Very low51.9Low139 Ų139105.5 Ų105.574%0.74356%0.564SS**Hα-helixtrans-70.9-21.3-178.6-71.4-21.3000115.3N175N175-D177 PolarHBondContact O-N 3.03Å
178S47.2Very low55Low77 Ų7798 Ų9854%0.53852%0.523SS..Hα-helixtrans-95.1-19.318078.30000113.8N175 L176N175-S178 WeakPolarHBondContact CB-OG 3.29Å; L176-S178 PolarHBondContact O-N 2.96Å
179L48.8Very low57.9Low107 Ų10793.3 Ų93.356%0.5649%0.492SS*.Hα-helixtrans-87-32.2-178.2-74.7170.1000112.3A88 E181A88-L179 HydrophobicContact CB-CB 4.35Å; L179-E181 PolarHBondContact O-N 2.92Å
180I51.7Low61.1Low34 Ų3485.3 Ų85.317%0.17445%0.451CS..SBendtrans-85.293.7166-37173000105.5F101 L176 L182F101-I180 HydrophobicContact CD1-CG2 4.34Å; F101-I180 HydrophobicContact CE1-CG1 4.21Å; L176-I180 HydrophobicContact CD1-CD1 4.46Å; L176-I180 HydrophobicContact CG-CD1 4.49Å; I180-L182 HydrophobicContact CB-CD1 4.22Å; I180-L182 HydrophobicContact CB-CD2 4.36Å; I180-L182 HydrophobicContact CB-CG 3.79Å; I180-L182 HydrophobicContact CG2-CD1 4.17Å; I180-L182 HydrophobicContact CG2-CD2 3.43Å; I180-L182 VanDerWaalsContact CG2-CD2 3.43Å; I180-L182 HydrophobicContact CG2-CG 3.39Å; I180-L182 PolarHBondContact O-N 2.84Å
181E53.2Low64.3Low133 Ų13376.8 Ų76.862%0.62141%0.412SS*.  trans-64.569.6167.6-154.9175.7-16300107.8R91 L179 K183R91-E181 IonicContact NH2-OE2 3.57Å; R91-E181 PolarHBondContact NH2-OE2 2.93Å; L179-E181 PolarHBondContact O-N 2.92Å; E181-K183 PolarHBondContact O-N 2.85Å
182L58.2Low67.3Low51 Ų5164.7 Ų64.727%0.26737%0.365SS..THydrogen-bonded Turntrans-69.632.9-179.9-74.6171.1000111.6V149 S151 I180 A184 T187V149-L182 HydrophobicContact CB-CD2 4.27Å; V149-L182 HydrophobicContact CG1-CD1 4.03Å; V149-L182 HydrophobicContact CG1-CD2 3.83Å; S151-L182 PolarHBondContact OG-O 2.93Å; I180-L182 HydrophobicContact CB-CD1 4.22Å; I180-L182 HydrophobicContact CB-CD2 4.36Å; I180-L182 HydrophobicContact CB-CG 3.79Å; I180-L182 HydrophobicContact CG2-CD1 4.17Å; I180-L182 HydrophobicContact CG2-CD2 3.43Å; I180-L182 VanDerWaalsContact CG2-CD2 3.43Å; I180-L182 HydrophobicContact CG2-CG 3.39Å; I180-L182 PolarHBondContact O-N 2.84Å; L182-A184 PolarHBondContact O-N 3.05Å; L182-T187 HydrophobicContact CD2-CG2 3.96Å
183K74.4Confident70.4Confident188 Ų18865.2 Ų65.282%0.81736%0.356SS*.THydrogen-bonded Turntrans-67.2-19175.8-167.2175-178.9178.30111.5E181E181-K183 PolarHBondContact O-N 2.85Å
184A85.9Confident72.9Confident13 Ų1358.9 Ų58.911%0.10733%0.325CS..SBendtrans-72.5137.3174.400000110.6D99 S151 L182 Y186D99-A184 HydrophobicContact CB-CB 3.92Å; D99-A184 VanDerWaalsContact CG-CB 3.4Å; D99-A184 WeakPolarHBondContact OD1-CB 3.34Å; S151-A184 PolarHBondContact OG-O 3.43Å; L182-A184 PolarHBondContact O-N 3.05Å; A184-Y186 PolarHBondContact O-N 3.23Å
185P90.8Very high75.4Confident55 Ų5560.9 Ų60.936%0.35733%0.329SS..SBendtrans-64.8-20.8179.126.7-35.1000113.3V31 S151V31-P185 HydrophobicContact CB-CB 4.31Å; V31-P185 HydrophobicContact CB-CG 3.83Å; V31-P185 HydrophobicContact CG1-CB 4.03Å; V31-P185 HydrophobicContact CG1-CG 4.01Å; V31-P185 HydrophobicContact CG2-CG 4.04Å; S151-P185 PolarHBondContact N-O 3.03Å; S151-P185 VanDerWaalsContact N-O 3.1Å
186Y94Very high77.7Confident1 Ų157.7 Ų57.70%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-143.4122.3177.3-179.3-131.7000109.2P72 F97 D99 E148 V149 W150 A184 I188P72-Y186 WeakPolarHBondContact CD-OH 3.49Å; F97-Y186 AromaticContact CE2-CD1 3.65Å; F97-Y186 HydrophobicContact CE2-CD1 3.65Å; F97-Y186 HydrophobicContact CE2-CE1 4.34Å; F97-Y186 AromaticContact CZ-CD1 3.59Å; F97-Y186 HydrophobicContact CZ-CD1 3.59Å; F97-Y186 HydrophobicContact CZ-CE1 4.07Å; F97-Y186 HydrophobicContact CZ-CG 4.33Å; F97-Y186 WeakPolarHBondContact CZ-O 3.45Å; D99-Y186 VanDerWaalsContact CB-O 3.23Å; D99-Y186 WeakPolarHBondContact CB-O 3.06Å; E148-Y186 HydrophobicContact CB-CE2 3.96Å; V149-Y186 WeakPolarHBondContact O-CA 3.22Å; W150-Y186 AromaticContact CD2-CD2 3.73Å; W150-Y186 HydrophobicContact CD2-CD2 3.73Å; W150-Y186 HydrophobicContact CD2-CE2 4.22Å; W150-Y186 AromaticContact CE2-CD2 3.53Å; W150-Y186 AromaticContact CE2-CE2 3.54Å; W150-Y186 AromaticContact CE3-CD2 3.8Å; W150-Y186 HydrophobicContact CE3-CD2 3.8Å; W150-Y186 HydrophobicContact CE3-CG 4.31Å; W150-Y186 HydrophobicContact CG-CD2 4.49Å; W150-Y186 HydrophobicContact CH2-CD1 4.43Å; W150-Y186 AromaticContact CH2-CD2 3.51Å; W150-Y186 HydrophobicContact CH2-CD2 3.51Å; W150-Y186 AromaticContact CH2-CE2 3.74Å; W150-Y186 HydrophobicContact CH2-CE2 3.74Å; W150-Y186 AromaticContact CH2-CG 3.88Å; W150-Y186 HydrophobicContact CH2-CG 3.88Å; W150-Y186 AromaticContact CZ2-CD2 3.45Å; W150-Y186 HydrophobicContact CZ2-CD2 3.45Å; W150-Y186 VanDerWaalsContact CZ2-CD2 3.45Å; W150-Y186 AromaticContact CZ2-CE2 3.29Å; W150-Y186 HydrophobicContact CZ2-CE2 3.29Å; W150-Y186 HydrophobicContact CZ2-CG 4.27Å; W150-Y186 AromaticContact CZ3-CD2 3.69Å; W150-Y186 HydrophobicContact CZ3-CD2 3.69Å; W150-Y186 HydrophobicContact CZ3-CE2 4.38Å; W150-Y186 AromaticContact CZ3-CG 3.92Å; W150-Y186 HydrophobicContact CZ3-CG 3.92Å; W150-Y186 AromaticContact NE1-CE2 3.92Å; A184-Y186 PolarHBondContact O-N 3.23Å; Y186-I188 HydrophobicContact CE1-CD1 4.15Å; Y186-I188 HydrophobicContact CE1-CG1 4.09Å
187T94.6Very high80.1Confident9 Ų952.1 Ų52.16%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-128136178.1-620000109.8D99 F101 V149 L182 I189D99-T187 CarbonylContact O-C 3.57Å; D99-T187 WeakPolarHBondContact O-CA 3.29Å; F101-T187 HydrophobicContact CB-CG2 4.48Å; V149-T187 PolarHBondContact N-O 3.26Å; V149-T187 PolarHBondContact O-N 2.89Å; L182-T187 HydrophobicContact CD2-CG2 3.96Å; T187-I189 HydrophobicContact CG2-CD1 4.13Å
188I96.2Very high82.4Confident0 Ų045.5 Ų45.50%025%0.252CS..EExtended strand (participates in β ladder)trans-102.4127.4177.3-63.4173.2000108.7F70 P72 F97 D99 V100 F101 F143 V145 Y186F70-I188 HydrophobicContact CE1-CD1 3.72Å; F70-I188 HydrophobicContact CZ-CD1 4.05Å; P72-I188 HydrophobicContact CG-CD1 3.45Å; P72-I188 VanDerWaalsContact CG-CD1 3.45Å; P72-I188 HydrophobicContact CG-CG1 4.37Å; F97-I188 HydrophobicContact CD1-CD1 4.02Å; F97-I188 HydrophobicContact CE1-CB 4.32Å; F97-I188 HydrophobicContact CE1-CD1 3.46Å; F97-I188 VanDerWaalsContact CE1-CD1 3.46Å; F97-I188 HydrophobicContact CE1-CG1 3.77Å; F97-I188 HydrophobicContact CZ-CD1 4.09Å; F97-I188 HydrophobicContact CZ-CG1 4.14Å; D99-I188 PolarHBondContact O-N 3.19Å; V100-I188 CarbonylContact C-O 3.42Å; V100-I188 WeakPolarHBondContact CA-O 3.5Å; V100-I188 HydrophobicContact CG1-CB 4.36Å; V100-I188 HydrophobicContact CG1-CG2 4.3Å; V100-I188 HydrophobicContact CG2-CB 4.26Å; V100-I188 HydrophobicContact CG2-CD1 4.48Å; F101-I188 PolarHBondContact N-O 3.47Å; F143-I188 HydrophobicContact CE2-CG2 4.45Å; V145-I188 HydrophobicContact CB-CG2 4.45Å; V145-I188 HydrophobicContact CG1-CG2 3.98Å; V145-I188 HydrophobicContact CG2-CG2 3.89Å; Y186-I188 HydrophobicContact CE1-CD1 4.15Å; Y186-I188 HydrophobicContact CE1-CG1 4.09Å
189I96.6Very high84.6Confident11 Ų1142 Ų426%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-97.6120.7173.6-52.9-58.4000109.2F101 P103 V146 E147 V149 T187F101-I189 HydrophobicContact CB-CD1 4.21Å; F101-I189 HydrophobicContact CD1-CD1 4.18Å; F101-I189 CarbonylContact O-C 3.58Å; F101-I189 VanDerWaalsContact O-CA 3.28Å; F101-I189 WeakPolarHBondContact O-CA 3.44Å; P103-I189 HydrophobicContact CG-CG2 3.92Å; V146-I189 PolarHBondContact N-O 2.95Å; E147-I189 HydrophobicContact CB-CB 3.97Å; E147-I189 HydrophobicContact CB-CG1 4.26Å; E147-I189 PolarHBondContact N-O 2.99Å; E147-I189 PolarHBondContact O-N 3.12Å; V149-I189 HydrophobicContact CG2-CD1 4.47Å; V149-I189 HydrophobicContact CG2-CG1 3.96Å; T187-I189 HydrophobicContact CG2-CD1 4.13Å
190G96.5Very high86.6Confident0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-104.3165-18000000114F101 R144F101-G190 PolarHBondContact O-N 2.66Å; R144-G190 CarbonylContact O-C 3.59Å; R144-G190 WeakPolarHBondContact O-CA 3.25Å
191S96.4Very high88.4Confident13 Ų1342.1 Ų42.19%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-139.3145.6171.8173.90000111.7F143 R144 V193F143-S191 WeakPolarHBondContact CA-O 3.4Å; R144-S191 PolarHBondContact N-O 2.76Å; R144-S191 PolarHBondContact O-N 3.4Å; S191-V193 WeakPolarHBondContact OG-CG2 3.32Å; S191-V193 PolarHBondContact OG-N 3.26Å
192V95.7Very high89.9Confident2 Ų237.8 Ų37.81%0.01222%0.215CC..  trans-123.520178.1-61.20000112.5I102 K106 L107 I141 F143 L197I102-V192 HydrophobicContact CD1-CG1 4.03Å; I102-V192 HydrophobicContact CG2-CG2 4.49Å; K106-V192 PolarHBondContact O-N 2.91Å; L107-V192 HydrophobicContact CD2-CG2 3.72Å; I141-V192 HydrophobicContact CD1-CG1 4.02Å; I141-V192 HydrophobicContact CG1-CG1 4.12Å; F143-V192 HydrophobicContact CB-CG1 3.79Å; V192-L197 HydrophobicContact CB-CB 4.17Å
193V93.7Very high91.2Very high72 Ų7238.3 Ų38.344%0.43621%0.214SC..  trans-67.1-44.4-176.2178.10000111.9K106 R108 S191K106-V193 WeakPolarHBondContact O-CG2 3.22Å; R108-V193 PolarHBondContact NE-O 2.94Å; R108-V193 VanDerWaalsContact NE-O 3.15Å; R108-V193 PolarHBondContact NH2-O 3.31Å; S191-V193 WeakPolarHBondContact OG-CG2 3.32Å; S191-V193 PolarHBondContact OG-N 3.26Å
194A90.9Very high91.3Very high28 Ų2836.4 Ų36.423%0.23122%0.217CC..SBendtrans-70.5158.1-173.800000113.4R108 L197R108-A194 PolarHBondContact NH2-O 2.65Å; A194-L197 HydrophobicContact CB-CD1 3.8Å; A194-L197 HydrophobicContact CB-CG 4.3Å; A194-L197 VanDerWaalsContact O-CB 3.31Å; A194-L197 WeakPolarHBondContact O-CB 3.37Å; A194-L197 PolarHBondContact O-N 3.13Å
195D89Confident90Very high136 Ų13644.7 Ų44.773%0.72727%0.274SS*.THydrogen-bonded Turntrans-65.3143.7177.7-66.3-30.2000113.2R108 L197 W203R108-D195 IonicContact CZ-OD1 2.87Å; R108-D195 VanDerWaalsContact NH2-CA 3.26Å; R108-D195 IonicContact NH2-OD1 3.62Å; R108-D195 PolarHBondContact NH2-OD1 2.86Å; D195-L197 VanDerWaalsContact C-N 3.26Å; D195-L197 PolarHBondContact O-N 3.11Å; D195-W203 HydrophobicContact CB-CH2 4.31Å
196G89.6Confident89.9Confident19 Ų1944.2 Ų44.220%0.19627%0.27CS..THydrogen-bonded Turntrans78.9-1.5-169.700000114.6R142 W203R142-G196 VanDerWaalsContact CD-O 3.31Å; R142-G196 WeakPolarHBondContact CD-O 3.47Å; R142-G196 PolarHBondContact NH1-O 2.98Å; G196-W203 VanDerWaalsContact N-CZ2 3.28Å
197L93.4Very high89.7Confident7 Ų746.4 Ų46.44%0.03728%0.284CS..  trans-100.8166.5175.1-52.8-177.7000112I77 R142 R144 V192 A194 D195 W203I77-L197 HydrophobicContact CD1-CD2 3.95Å; I77-L197 HydrophobicContact CG2-CD2 4.03Å; R142-L197 HydrophobicContact CG-CD2 3.91Å; R142-L197 CarbonylContact O-C 3.48Å; R142-L197 WeakPolarHBondContact O-CA 3.48Å; R142-L197 WeakPolarHBondContact O-CB 3.45Å; R144-L197 HydrophobicContact CB-CD1 3.88Å; V192-L197 HydrophobicContact CB-CB 4.17Å; A194-L197 HydrophobicContact CB-CD1 3.8Å; A194-L197 HydrophobicContact CB-CG 4.3Å; A194-L197 VanDerWaalsContact O-CB 3.31Å; A194-L197 WeakPolarHBondContact O-CB 3.37Å; A194-L197 PolarHBondContact O-N 3.13Å; D195-L197 VanDerWaalsContact C-N 3.26Å; D195-L197 PolarHBondContact O-N 3.11Å; L197-W203 WeakPolarHBondContact O-CZ2 3.5Å; L197-W203 PolarHBondContact O-NE1 2.85Å
198G93.4Very high89.4Confident0 Ų048.5 Ų48.50%030%0.297CS..EExtended strand (participates in β ladder)trans96.4-159-171.900000111.7I141 R142 T200I141-G198 WeakPolarHBondContact CA-O 3.3Å; R142-G198 PolarHBondContact N-O 2.98Å; R142-G198 PolarHBondContact O-N 2.84Å; G198-T200 PolarHBondContact O-N 2.66Å
199V93.6Very high89Confident3 Ų351.4 Ų51.42%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-65.1132.3-174.9-172.10000109.3I135 D139 T140 C201 W202 W203I135-V199 HydrophobicContact CB-CG2 4.2Å; I135-V199 HydrophobicContact CG1-CG2 3.88Å; I135-V199 HydrophobicContact CG2-CG2 4.05Å; D139-V199 HydrophobicContact CB-CG1 4.01Å; D139-V199 HydrophobicContact CB-CG2 4.29Å; T140-V199 WeakPolarHBondContact O-CA 3.19Å; V199-C201 HydrophobicContact CG1-CB 4.46Å; V199-C201 WeakPolarHBondContact CG1-SG 3.22Å; V199-C201 PolarHBondContact O-N 3.08Å; V199-C201 VanDerWaalsContact O-N 3.15Å; V199-W202 HydrophobicContact CB-CD2 3.8Å; V199-W202 HydrophobicContact CB-CE3 4.41Å; V199-W202 HydrophobicContact CB-CG 4.07Å; V199-W202 HydrophobicContact CB-CZ2 4.06Å; V199-W202 HydrophobicContact CG2-CD2 4.23Å; V199-W202 HydrophobicContact CG2-CH2 4.12Å; V199-W202 HydrophobicContact CG2-CZ2 3.55Å; V199-W202 WeakPolarHBondContact O-CB 3.07Å; V199-W202 PolarHBondContact O-N 2.81Å; V199-W202 VanDerWaalsContact O-N 3.07Å; V199-W203 VanDerWaalsContact O-CD1 3.29Å
200T91Very high88.5Confident44 Ų4453.9 Ų53.927%0.2733%0.33SS..G310 helixtrans-62.4-26.7-173.652.80000112.9T140 R142 G198 W202 W203T140-T200 HydrophobicContact CG2-CG2 3.86Å; T140-T200 PolarHBondContact O-N 2.98Å; T140-T200 PolarHBondContact O-OG1 2.95Å; R142-T200 HydrophobicContact CB-CG2 4.44Å; G198-T200 PolarHBondContact O-N 2.66Å; T200-W202 VanDerWaalsContact C-N 3.28Å; T200-W202 PolarHBondContact O-N 3.41Å; T200-W203 PolarHBondContact O-N 2.88Å
201C88.5Confident88Confident100 Ų10057.5 Ų57.568%0.67635%0.352SS*.G310 helixtrans-73.1-15.1178.669.50000114.2V199 W203V199-C201 HydrophobicContact CG1-CB 4.46Å; V199-C201 WeakPolarHBondContact CG1-SG 3.22Å; V199-C201 PolarHBondContact O-N 3.08Å; V199-C201 VanDerWaalsContact O-N 3.15Å; C201-W203 PolarHBondContact O-N 2.81Å
202W86Confident87.4Confident42 Ų4260.6 Ų60.616%0.15937%0.371CS..G310 helixtrans-69.9-20.1174.2-59.1-14.5000112.3W122 L133 R134 I135 V199 T200W122-W202 HydrophobicContact CB-CH2 4.34Å; W122-W202 HydrophobicContact CE3-CD2 4.38Å; W122-W202 AromaticContact CE3-CE3 3.84Å; W122-W202 HydrophobicContact CE3-CE3 3.84Å; W122-W202 HydrophobicContact CE3-CH2 4.09Å; W122-W202 AromaticContact CE3-CZ3 3.69Å; W122-W202 HydrophobicContact CE3-CZ3 3.69Å; W122-W202 HydrophobicContact CZ3-CE3 4.03Å; W122-W202 HydrophobicContact CZ3-CZ3 4.28Å; L133-W202 HydrophobicContact CB-CD2 4.32Å; L133-W202 HydrophobicContact CB-CZ2 4.04Å; L133-W202 HydrophobicContact CD1-CB 4.49Å; L133-W202 HydrophobicContact CD1-CD2 4.39Å; L133-W202 HydrophobicContact CD1-CG 4.21Å; R134-W202 WeakPolarHBondContact O-CZ2 3.16Å; R134-W202 PolarHBondContact O-NE1 2.82Å; I135-W202 HydrophobicContact CD1-CH2 3.74Å; I135-W202 HydrophobicContact CD1-CZ2 4.23Å; I135-W202 HydrophobicContact CG1-CH2 3.49Å; I135-W202 VanDerWaalsContact CG1-CH2 3.49Å; I135-W202 HydrophobicContact CG1-CZ2 3.45Å; I135-W202 VanDerWaalsContact CG1-CZ2 3.45Å; V199-W202 HydrophobicContact CB-CD2 3.8Å; V199-W202 HydrophobicContact CB-CE3 4.41Å; V199-W202 HydrophobicContact CB-CG 4.07Å; V199-W202 HydrophobicContact CB-CZ2 4.06Å; V199-W202 HydrophobicContact CG2-CD2 4.23Å; V199-W202 HydrophobicContact CG2-CH2 4.12Å; V199-W202 HydrophobicContact CG2-CZ2 3.55Å; V199-W202 WeakPolarHBondContact O-CB 3.07Å; V199-W202 PolarHBondContact O-N 2.81Å; V199-W202 VanDerWaalsContact O-N 3.07Å; T200-W202 VanDerWaalsContact C-N 3.28Å; T200-W202 PolarHBondContact O-N 3.41Å
203W84.8Confident86.8Confident62 Ų6265.2 Ų65.224%0.23540%0.399CS..SBendtrans-110.3122.6-172-51.3105000109D195 G196 L197 V199 T200 C201 S205D195-W203 HydrophobicContact CB-CH2 4.31Å; G196-W203 VanDerWaalsContact N-CZ2 3.28Å; L197-W203 WeakPolarHBondContact O-CZ2 3.5Å; L197-W203 PolarHBondContact O-NE1 2.85Å; V199-W203 VanDerWaalsContact O-CD1 3.29Å; T200-W203 PolarHBondContact O-N 2.88Å; C201-W203 PolarHBondContact O-N 2.81Å; W203-S205 PolarHBondContact O-N 2.67Å
204V76.2Confident86.2Confident147 Ų14764.6 Ų64.689%0.89140%0.396SS*.  trans-62.3129.6168.2-168.80000107.4
205S58.2Low85.8Confident187 Ų18767.9 Ų67.9100%1.30841%0.411SS*.  trans-74.30175.2-56.70000111.8W203W203-S205 PolarHBondContact O-N 2.67Å

Retrieved 205 of 205 residues in 64.5 ms (Link to these results)

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