A0A077Z574_TRITR Loading...

Ubiquitin-fold modifier-conjugating enzyme 1

E2-like enzyme which forms an intermediate with UFM1 via a thioester linkage. E2-like enzyme which forms an intermediate with ufm-1. The intermediate is formed via a thioester linkage.

AlphaFold DB , UniProt , Accession A0A077Z574, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.6Low80.7Confident128 Ų12884.9 Ų84.963%0.63149%0.485SS*.  0123.80-81.3-179.5176.300108.6K6 I9 L123 L139M1-K6 HydrophobicContact CB-CG 4.14Å; M1-I9 HydrophobicContact CE-CD1 4.48Å; M1-I9 HydrophobicContact SD-CD1 3.9Å; M1-L123 HydrophobicContact CE-CD2 3.17Å; M1-L123 HydrophobicContact SD-CD2 4.22Å; M1-L139 HydrophobicContact CE-CD2 3.35Å; M1-L139 HydrophobicContact CE-CG 4.49Å; M1-L139 HydrophobicContact SD-CD2 4.16Å
2D71.6Confident81.8Confident92 Ų9278.7 Ų78.749%0.49245%0.449SS..  trans-67.7168173.659.421.8000111.6S4 T5 K6D2-S4 VanDerWaalsContact CG-OG 3.31Å; D2-S4 PolarHBondContact OD1-OG 2.65Å; D2-T5 WeakPolarHBondContact OD1-CB 3.31Å; D2-T5 PolarHBondContact OD1-N 3.11Å; D2-T5 PolarHBondContact OD1-OG1 3.41Å; D2-K6 WeakPolarHBondContact O-CG 3.28Å; D2-K6 PolarHBondContact O-N 3.31Å
3A77.4Confident82.9Confident84 Ų8475.5 Ų75.569%0.69443%0.434SS*.Hα-helixtrans-68.7-34.4-174.600000112.8K6 K7A3-K6 PolarHBondContact O-N 2.88Å; A3-K7 PolarHBondContact O-N 3.19Å
4S77.3Confident83.8Confident75 Ų7577.9 Ų77.952%0.52444%0.442SS..Hα-helixtrans-63.8-49.1177.744.90000111.1D2 K6 K7 V8D2-S4 VanDerWaalsContact CG-OG 3.31Å; D2-S4 PolarHBondContact OD1-OG 2.65Å; S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 3.14Å; S4-K7 WeakPolarHBondContact O-CB 3.11Å; S4-K7 PolarHBondContact O-N 3.32Å; S4-K7 VanDerWaalsContact O-N 3.15Å; S4-V8 WeakPolarHBondContact O-CG2 3.32Å; S4-V8 PolarHBondContact O-N 2.98Å
5T77.6Confident84.8Confident25 Ų2572.9 Ų72.915%0.15341%0.414CS..Hα-helixtrans-63.4-41.4178.8-53.10000110.7D2 K7 V8 I9 L139D2-T5 WeakPolarHBondContact OD1-CB 3.31Å; D2-T5 PolarHBondContact OD1-N 3.11Å; D2-T5 PolarHBondContact OD1-OG1 3.41Å; T5-K7 VanDerWaalsContact C-N 3.31Å; T5-K7 PolarHBondContact O-N 2.93Å; T5-V8 PolarHBondContact O-N 3.35Å; T5-I9 HydrophobicContact CG2-CD1 4.17Å; T5-I9 HydrophobicContact CG2-CG1 4.48Å; T5-I9 WeakPolarHBondContact O-CD1 3.4Å; T5-I9 WeakPolarHBondContact O-CG1 3.43Å; T5-I9 PolarHBondContact O-N 2.95Å; T5-L139 HydrophobicContact CG2-CD2 3.86Å
6K83.8Confident85.6Confident129 Ų12979 Ų7956%0.56144%0.435SS*.Hα-helixtrans-58-42.9174.6-76.8-177.7-178179.60112.5M1 D2 A3 S4 I9 S10M1-K6 HydrophobicContact CB-CG 4.14Å; D2-K6 WeakPolarHBondContact O-CG 3.28Å; D2-K6 PolarHBondContact O-N 3.31Å; A3-K6 PolarHBondContact O-N 2.88Å; S4-K6 VanDerWaalsContact C-N 3.33Å; S4-K6 PolarHBondContact O-N 3.14Å; K6-I9 PolarHBondContact O-N 3.25Å; K6-S10 WeakPolarHBondContact O-CB 3.27Å; K6-S10 PolarHBondContact O-N 3.31Å; K6-S10 PolarHBondContact O-OG 3.1Å
7K85.3Confident86.3Confident158 Ų15875.3 Ų75.369%0.68742%0.415SS*.Hα-helixtrans-63.2-46.3178.6-170.6179.9179.2-175.80111.2A3 S4 T5 I9 S10 S11A3-K7 PolarHBondContact O-N 3.19Å; S4-K7 WeakPolarHBondContact O-CB 3.11Å; S4-K7 PolarHBondContact O-N 3.32Å; S4-K7 VanDerWaalsContact O-N 3.15Å; T5-K7 VanDerWaalsContact C-N 3.31Å; T5-K7 PolarHBondContact O-N 2.93Å; K7-I9 PolarHBondContact O-N 3.02Å; K7-S10 PolarHBondContact O-N 3Å; K7-S10 PolarHBondContact O-OG 2.89Å; K7-S11 PolarHBondContact O-N 3.07Å
8V84.7Confident86.9Confident43 Ų4379.4 Ų79.426%0.26143%0.428SS..Hα-helixtrans-57.4-51.5176.9173.30000110.6S4 T5 S10 S11 L12 Y41 A138S4-V8 WeakPolarHBondContact O-CG2 3.32Å; S4-V8 PolarHBondContact O-N 2.98Å; T5-V8 PolarHBondContact O-N 3.35Å; V8-S10 VanDerWaalsContact C-N 3.28Å; V8-S10 PolarHBondContact O-N 3.48Å; V8-S11 PolarHBondContact O-N 2.9Å; V8-S11 PolarHBondContact O-OG 2.9Å; V8-L12 PolarHBondContact O-N 3.38Å; V8-Y41 HydrophobicContact CG1-CD2 4.3Å; V8-Y41 HydrophobicContact CG1-CE2 3.51Å; V8-A138 HydrophobicContact CG1-CB 4.08Å
9I87.7Confident87.5Confident33 Ų3375.3 Ų75.317%0.16941%0.406CS..Hα-helixtrans-57.2-43.5178.9-57.8156.5000111M1 T5 K6 K7 S11 L12 L139M1-I9 HydrophobicContact CE-CD1 4.48Å; M1-I9 HydrophobicContact SD-CD1 3.9Å; T5-I9 HydrophobicContact CG2-CD1 4.17Å; T5-I9 HydrophobicContact CG2-CG1 4.48Å; T5-I9 WeakPolarHBondContact O-CD1 3.4Å; T5-I9 WeakPolarHBondContact O-CG1 3.43Å; T5-I9 PolarHBondContact O-N 2.95Å; K6-I9 PolarHBondContact O-N 3.25Å; K7-I9 PolarHBondContact O-N 3.02Å; I9-S11 PolarHBondContact O-N 3.49Å; I9-L12 PolarHBondContact O-N 2.54Å; I9-L12 VanDerWaalsContact O-N 3.16Å; I9-L139 HydrophobicContact CD1-CD1 4.38Å; I9-L139 HydrophobicContact CD1-CD2 3.21Å; I9-L139 HydrophobicContact CD1-CG 4.19Å; I9-L139 HydrophobicContact CG1-CD1 4.39Å; I9-L139 HydrophobicContact CG1-CD2 3.54Å; I9-L139 HydrophobicContact CG1-CG 4.1Å
10S89.6Confident87.9Confident99 Ų9971.6 Ų71.669%0.69239%0.386SS*.Hα-helixtrans-64.9-23.8-178.271.20000113.7K6 K7 V8K6-S10 WeakPolarHBondContact O-CB 3.27Å; K6-S10 PolarHBondContact O-N 3.31Å; K6-S10 PolarHBondContact O-OG 3.1Å; K7-S10 PolarHBondContact O-N 3Å; K7-S10 PolarHBondContact O-OG 2.89Å; V8-S10 VanDerWaalsContact C-N 3.28Å; V8-S10 PolarHBondContact O-N 3.48Å
11S90.9Very high88.3Confident68 Ų6869.7 Ų69.748%0.47638%0.378SS..Hα-helixtrans-86.5-17.5176.262.40000114.5K7 V8 I9K7-S11 PolarHBondContact O-N 3.07Å; V8-S11 PolarHBondContact O-N 2.9Å; V8-S11 PolarHBondContact O-OG 2.9Å; I9-S11 PolarHBondContact O-N 3.49Å
12L94.5Very high89.9Confident10 Ų1072.7 Ų72.75%0.05238%0.382CS..SBendtrans-71.4136.5-178.9-70178.9000111V8 I9 I14 Y41 A134 A138V8-L12 PolarHBondContact O-N 3.38Å; I9-L12 PolarHBondContact O-N 2.54Å; I9-L12 VanDerWaalsContact O-N 3.16Å; L12-I14 PolarHBondContact O-N 3.33Å; L12-Y41 VanDerWaalsContact CD2-CB 3.45Å; L12-Y41 HydrophobicContact CD2-CD1 4.18Å; L12-Y41 HydrophobicContact CD2-CD2 3.76Å; L12-Y41 HydrophobicContact CD2-CG 3.54Å; L12-A134 HydrophobicContact CD1-CB 4.34Å; L12-A134 HydrophobicContact CD2-CB 4.26Å; L12-A138 HydrophobicContact CD1-CB 4.12Å
13P95.9Very high91.1Very high38 Ų3872 Ų7225%0.24738%0.378CS..PPolyproline II helixtrans-57.1128.5167.8-26.737.4000111.2A37 K40 H135P13-A37 HydrophobicContact CB-CB 4.27Å; P13-A37 HydrophobicContact CG-CB 4.49Å; P13-K40 HydrophobicContact CG-CB 4.11Å; P13-K40 HydrophobicContact CG-CD 3.63Å; P13-K40 HydrophobicContact CG-CG 4.28Å; P13-H135 PolarHBondContact O-CE1 3.16Å; P13-H135 VanDerWaalsContact O-CE1 3.24Å
14I95.8Very high91.9Very high108 Ų10875.7 Ų75.755%0.55438%0.381SS*.PPolyproline II helixtrans-80142.2169.758.7173.3000110.5L12 K130L12-I14 PolarHBondContact O-N 3.33Å; I14-K130 HydrophobicContact CB-CB 4.32Å
15L98.2Very high92.8Very high4 Ų480 Ų802%0.02139%0.393CS..PPolyproline II helixtrans-90.1154.4179-67.584000110.4R30 E33 E34 A37 K130L15-R30 VanDerWaalsContact CD2-CZ 3.46Å; L15-R30 VanDerWaalsContact CD2-NE 3.33Å; L15-E33 WeakPolarHBondContact CA-OE2 3.26Å; L15-E33 HydrophobicContact CB-CB 4.44Å; L15-E33 WeakPolarHBondContact CB-OE2 3.34Å; L15-E33 HydrophobicContact CD2-CB 3.75Å; L15-E33 HydrophobicContact CG-CB 3.89Å; L15-E34 HydrophobicContact CD2-CG 3.84Å; L15-E34 VanDerWaalsContact CD2-OE1 3.27Å; L15-E34 WeakPolarHBondContact CD2-OE1 3.39Å; L15-A37 HydrophobicContact CD1-CB 4.1Å; L15-K130 PolarHBondContact N-O 2.8Å; L15-K130 WeakPolarHBondContact O-CA 3.27Å
16K97.7Very high93.8Very high170 Ų17083.3 Ų83.374%0.73941%0.409SS*.  trans-119.4-36.4-174.7-63.4-179.4-175.9176.60111.5K18 E33K16-K18 PolarHBondContact O-N 2.96Å; K16-E33 PolarHBondContact N-OE2 3.18Å
17T97.9Very high94.4Very high16 Ų1677.8 Ų77.810%0.09839%0.385CS..  trans-76.7117.7-173.6-58.10000110.1A19 L26 Q29 R30 E33T17-A19 HydrophobicContact CG2-CB 3.78Å; T17-A19 PolarHBondContact O-N 3.37Å; T17-L26 HydrophobicContact CG2-CB 4.47Å; T17-L26 WeakPolarHBondContact CG2-O 3.41Å; T17-Q29 HydrophobicContact CG2-CB 4.39Å; T17-Q29 HydrophobicContact CG2-CG 4.35Å; T17-Q29 WeakPolarHBondContact OG1-CG 3.43Å; T17-Q29 PolarHBondContact OG1-NE2 3.14Å; T17-R30 HydrophobicContact CG2-CB 4.09Å; T17-R30 WeakPolarHBondContact O-CD 3.4Å; T17-R30 PolarHBondContact O-NH1 3.39Å; T17-E33 WeakPolarHBondContact CB-OE1 3.36Å; T17-E33 PolarHBondContact N-OE1 2.91Å; T17-E33 PolarHBondContact N-OE2 2.78Å; T17-E33 PolarHBondContact OG1-OE1 3.48Å
18K97.3Very high95Very high150 Ų15073.8 Ų73.865%0.65237%0.373SS*.  trans-90.980.2174.1-171.9177.2179-175.80109.2K16 P90 P129K16-K18 PolarHBondContact O-N 2.96Å; K18-P90 HydrophobicContact CG-CG 4.36Å; K18-P129 HydrophobicContact CB-CB 3.74Å; K18-P129 HydrophobicContact CB-CG 3.95Å; K18-P129 HydrophobicContact CG-CB 4.01Å
19A97.5Very high95.6Very high1 Ų176.4 Ų76.41%0.00838%0.383CS..  trans-141.7140.4-177.900000111.1T17 D23 L26 R30 P90T17-A19 HydrophobicContact CG2-CB 3.78Å; T17-A19 PolarHBondContact O-N 3.37Å; A19-D23 VanDerWaalsContact CA-OD2 3.27Å; A19-D23 WeakPolarHBondContact CA-OD2 3.47Å; A19-D23 HydrophobicContact CB-CB 3.94Å; A19-L26 HydrophobicContact CB-CB 3.62Å; A19-L26 WeakPolarHBondContact CB-O 3.23Å; A19-R30 HydrophobicContact CB-CB 4.28Å; A19-P90 WeakPolarHBondContact O-CD 3.23Å
20G96.4Very high96.1Very high1 Ų174.8 Ų74.81%0.0138%0.375CS..  trans-108.6-178.9173.800000112.5R22 D23 W27 Y89G20-R22 PolarHBondContact O-N 3.36Å; G20-D23 PolarHBondContact N-OD2 3.21Å; G20-D23 PolarHBondContact O-N 3.16Å; G20-W27 VanDerWaalsContact C-CE3 3.45Å; G20-W27 WeakPolarHBondContact O-CB 3.41Å; G20-Y89 WeakPolarHBondContact CA-O 3.41Å; G20-Y89 PolarHBondContact N-O 2.8Å
21P96.4Very high96.5Very high32 Ų3271 Ų7121%0.20835%0.346CS..THydrogen-bonded Turntrans-55.5-18.6-173.6-31.137.3000116.7W27 T62 I85P21-W27 HydrophobicContact CG-CZ2 4.31Å; P21-T62 HydrophobicContact CB-CG2 3.86Å; P21-T62 HydrophobicContact CG-CG2 4.3Å; P21-I85 HydrophobicContact CG-CB 4.06Å; P21-I85 HydrophobicContact CG-CG2 3.5Å; P21-I85 VanDerWaalsContact CG-CG2 3.5Å
22R95.5Very high96.8Very high191 Ų19175.1 Ų75.172%0.72136%0.356SS*.THydrogen-bonded Turntrans-95.1-5.6-178.1-66-171.4178.3178.7-0.3114G20 Q24 V87G20-R22 PolarHBondContact O-N 3.36Å; R22-Q24 PolarHBondContact O-N 2.9Å; R22-V87 HydrophobicContact CG-CG1 4.11Å
23D96.4Very high97Very high78 Ų7876.8 Ų76.842%0.41736%0.364SS..SBendtrans-89.320.6-173.3-60.1-42.4000113.4A19 G20 E25 L26A19-D23 VanDerWaalsContact CA-OD2 3.27Å; A19-D23 WeakPolarHBondContact CA-OD2 3.47Å; A19-D23 HydrophobicContact CB-CB 3.94Å; G20-D23 PolarHBondContact N-OD2 3.21Å; G20-D23 PolarHBondContact O-N 3.16Å; D23-E25 PolarHBondContact O-N 3.16Å; D23-E25 VanDerWaalsContact O-N 3.15Å; D23-L26 HydrophobicContact CB-CB 4.06Å; D23-L26 WeakPolarHBondContact O-CB 3.4Å; D23-L26 PolarHBondContact O-N 3.36Å
24Q93.6Very high97.1Very high160 Ų16075 Ų7575%0.74835%0.352SS*.THydrogen-bonded Turntrans49.1-113.6171.5-59.2178.8-3.300113.6R22 L26 W27 T28R22-Q24 PolarHBondContact O-N 2.9Å; Q24-L26 VanDerWaalsContact C-N 3.27Å; Q24-L26 PolarHBondContact O-N 3.49Å; Q24-W27 WeakPolarHBondContact O-CA 3.25Å; Q24-W27 VanDerWaalsContact O-CB 3.26Å; Q24-W27 WeakPolarHBondContact O-CB 3.48Å; Q24-W27 PolarHBondContact O-N 3.41Å; Q24-T28 PolarHBondContact O-N 3Å; Q24-T28 VanDerWaalsContact O-N 3.15Å
25E96.4Very high97.2Very high167 Ų16774.1 Ų74.178%0.7834%0.342SS*.Hα-helixtrans-61.4-34-178.3-64.6-174.5171.200113D23 W27 T28 Q29D23-E25 PolarHBondContact O-N 3.16Å; D23-E25 VanDerWaalsContact O-N 3.15Å; E25-W27 VanDerWaalsContact C-N 3.26Å; E25-W27 PolarHBondContact O-N 2.95Å; E25-T28 WeakPolarHBondContact O-CB 3.37Å; E25-T28 PolarHBondContact O-N 3.19Å; E25-Q29 PolarHBondContact O-N 2.9Å
26L97.5Very high97.2Very high93 Ų9375.8 Ų75.849%0.48736%0.36SS..Hα-helixtrans-68.1-30.8175.8-63175.2000111.1T17 A19 D23 Q24 Q29 R30T17-L26 HydrophobicContact CG2-CB 4.47Å; T17-L26 WeakPolarHBondContact CG2-O 3.41Å; A19-L26 HydrophobicContact CB-CB 3.62Å; A19-L26 WeakPolarHBondContact CB-O 3.23Å; D23-L26 HydrophobicContact CB-CB 4.06Å; D23-L26 WeakPolarHBondContact O-CB 3.4Å; D23-L26 PolarHBondContact O-N 3.36Å; Q24-L26 VanDerWaalsContact C-N 3.27Å; Q24-L26 PolarHBondContact O-N 3.49Å; L26-Q29 PolarHBondContact O-N 3.06Å; L26-R30 WeakPolarHBondContact O-CB 3.08Å; L26-R30 PolarHBondContact O-N 2.97Å
27W97.9Very high97.2Very high13 Ų1367.7 Ų67.75%0.04933%0.325CS..Hα-helixtrans-65.9-44.3171.6-179.8-124.2000111.3G20 P21 Q24 E25 Q29 R30 L31 D60 G61 I85 Y89G20-W27 VanDerWaalsContact C-CE3 3.45Å; G20-W27 WeakPolarHBondContact O-CB 3.41Å; P21-W27 HydrophobicContact CG-CZ2 4.31Å; Q24-W27 WeakPolarHBondContact O-CA 3.25Å; Q24-W27 VanDerWaalsContact O-CB 3.26Å; Q24-W27 WeakPolarHBondContact O-CB 3.48Å; Q24-W27 PolarHBondContact O-N 3.41Å; E25-W27 VanDerWaalsContact C-N 3.26Å; E25-W27 PolarHBondContact O-N 2.95Å; W27-Q29 VanDerWaalsContact C-N 3.28Å; W27-Q29 PolarHBondContact O-N 3.16Å; W27-R30 HydrophobicContact CE3-CB 4Å; W27-R30 HydrophobicContact CE3-CG 3.93Å; W27-R30 HydrophobicContact CZ3-CB 4.24Å; W27-R30 HydrophobicContact CZ3-CG 3.66Å; W27-R30 CarbonylContact O-C 3.48Å; W27-R30 WeakPolarHBondContact O-CB 3.22Å; W27-R30 PolarHBondContact O-N 3.26Å; W27-R30 VanDerWaalsContact O-N 3.12Å; W27-L31 HydrophobicContact CD2-CD1 4.42Å; W27-L31 HydrophobicContact CD2-CG 4.12Å; W27-L31 HydrophobicContact CG-CD1 4.49Å; W27-L31 HydrophobicContact CH2-CD2 3.97Å; W27-L31 HydrophobicContact CH2-CG 4.3Å; W27-L31 HydrophobicContact CZ2-CD1 4.19Å; W27-L31 HydrophobicContact CZ2-CD2 3.52Å; W27-L31 HydrophobicContact CZ2-CG 3.75Å; W27-L31 PolarHBondContact O-N 3.03Å; W27-D60 PolarHBondContact NE1-O 2.57Å; W27-G61 WeakPolarHBondContact CZ2-O 3.42Å; W27-I85 HydrophobicContact CH2-CG1 4.31Å; W27-I85 HydrophobicContact CH2-CG2 3.83Å; W27-I85 HydrophobicContact CZ2-CG1 4.4Å; W27-I85 HydrophobicContact CZ2-CG2 4.3Å; W27-Y89 HydrophobicContact CH2-CD1 4.06Å; W27-Y89 HydrophobicContact CH2-CE1 4.27Å; W27-Y89 AromaticContact CZ3-CD1 3.76Å; W27-Y89 HydrophobicContact CZ3-CD1 3.76Å; W27-Y89 HydrophobicContact CZ3-CE1 4.07Å
28T97Very high97.1Very high74 Ų7467.3 Ų67.345%0.45432%0.322SS..Hα-helixtrans-59.7-39.6174.7-56.40000111.7Q24 E25 L31 K32Q24-T28 PolarHBondContact O-N 3Å; Q24-T28 VanDerWaalsContact O-N 3.15Å; E25-T28 WeakPolarHBondContact O-CB 3.37Å; E25-T28 PolarHBondContact O-N 3.19Å; T28-L31 PolarHBondContact O-N 3.3Å; T28-K32 WeakPolarHBondContact O-CG 3.19Å; T28-K32 PolarHBondContact O-N 3.33Å; T28-K32 VanDerWaalsContact O-N 3.14Å
29Q97.8Very high97.1Very high98 Ų9864.4 Ų64.446%0.45831%0.313SS..Hα-helixtrans-63.8-45.9173.8-177.1178.4-1100111.6T17 E25 L26 W27 L31 K32 E33T17-Q29 HydrophobicContact CG2-CB 4.39Å; T17-Q29 HydrophobicContact CG2-CG 4.35Å; T17-Q29 WeakPolarHBondContact OG1-CG 3.43Å; T17-Q29 PolarHBondContact OG1-NE2 3.14Å; E25-Q29 PolarHBondContact O-N 2.9Å; L26-Q29 PolarHBondContact O-N 3.06Å; W27-Q29 VanDerWaalsContact C-N 3.28Å; W27-Q29 PolarHBondContact O-N 3.16Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 3.39Å; Q29-K32 PolarHBondContact O-N 3.33Å; Q29-E33 PolarHBondContact O-N 3.33Å
30R98.1Very high97Very high0 Ų069.8 Ų69.80%034%0.336CS..Hα-helixtrans-59.5-44175.4175.157177.6-135.96.8111.7L15 T17 A19 L26 W27 K32 E33 E34 Y89 P129 F131L15-R30 VanDerWaalsContact CD2-CZ 3.46Å; L15-R30 VanDerWaalsContact CD2-NE 3.33Å; T17-R30 HydrophobicContact CG2-CB 4.09Å; T17-R30 WeakPolarHBondContact O-CD 3.4Å; T17-R30 PolarHBondContact O-NH1 3.39Å; A19-R30 HydrophobicContact CB-CB 4.28Å; L26-R30 WeakPolarHBondContact O-CB 3.08Å; L26-R30 PolarHBondContact O-N 2.97Å; W27-R30 HydrophobicContact CE3-CB 4Å; W27-R30 HydrophobicContact CE3-CG 3.93Å; W27-R30 HydrophobicContact CZ3-CB 4.24Å; W27-R30 HydrophobicContact CZ3-CG 3.66Å; W27-R30 CarbonylContact O-C 3.48Å; W27-R30 WeakPolarHBondContact O-CB 3.22Å; W27-R30 PolarHBondContact O-N 3.26Å; W27-R30 VanDerWaalsContact O-N 3.12Å; R30-K32 VanDerWaalsContact C-N 3.32Å; R30-K32 PolarHBondContact O-N 3.16Å; R30-E33 WeakPolarHBondContact O-CA 3.4Å; R30-E33 WeakPolarHBondContact O-CB 3.43Å; R30-E33 PolarHBondContact O-N 3.27Å; R30-E34 HydrophobicContact CG-CG 4.4Å; R30-E34 IonicContact CZ-OE1 3.9Å; R30-E34 IonicContact NE-OE1 2.77Å; R30-E34 PolarHBondContact NE-OE1 3.42Å; R30-E34 IonicContact NH2-OE1 2.77Å; R30-E34 PolarHBondContact NH2-OE1 3.2Å; R30-E34 WeakPolarHBondContact O-CG 3.5Å; R30-E34 PolarHBondContact O-N 3.14Å; R30-Y89 PolarHBondContact NH2-OH 3.18Å; R30-P129 PolarHBondContact NH1-O 2.84Å; R30-F131 PolarHBondContact NH2-O 3.23Å
31L97.5Very high97.1Very high18 Ų1870.5 Ų70.59%0.09434%0.338CS..Hα-helixtrans-59.7-41.2177.8-80.7176000112.4W27 T28 Q29 E33 E34 Y35 W64W27-L31 HydrophobicContact CD2-CD1 4.42Å; W27-L31 HydrophobicContact CD2-CG 4.12Å; W27-L31 HydrophobicContact CG-CD1 4.49Å; W27-L31 HydrophobicContact CH2-CD2 3.97Å; W27-L31 HydrophobicContact CH2-CG 4.3Å; W27-L31 HydrophobicContact CZ2-CD1 4.19Å; W27-L31 HydrophobicContact CZ2-CD2 3.52Å; W27-L31 HydrophobicContact CZ2-CG 3.75Å; W27-L31 PolarHBondContact O-N 3.03Å; T28-L31 PolarHBondContact O-N 3.3Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 3.39Å; L31-E33 PolarHBondContact O-N 3.42Å; L31-E34 PolarHBondContact O-N 2.98Å; L31-E34 VanDerWaalsContact O-N 3.13Å; L31-Y35 WeakPolarHBondContact O-CD2 3.45Å; L31-Y35 PolarHBondContact O-N 3.21Å; L31-W64 HydrophobicContact CD2-CZ2 4.14Å
32K97.6Very high97Very high156 Ų15670.1 Ų70.168%0.67833%0.334SS*.Hα-helixtrans-58-39.4173.9-71.1174.4-177.1177.10111.7T28 Q29 R30 G36T28-K32 WeakPolarHBondContact O-CG 3.19Å; T28-K32 PolarHBondContact O-N 3.33Å; T28-K32 VanDerWaalsContact O-N 3.14Å; Q29-K32 PolarHBondContact O-N 3.33Å; R30-K32 VanDerWaalsContact C-N 3.32Å; R30-K32 PolarHBondContact O-N 3.16Å; K32-G36 PolarHBondContact O-N 3.18Å; K32-G36 VanDerWaalsContact O-N 3.07Å
33E98.4Very high97Very high45 Ų4566.5 Ų66.521%0.2133%0.326CS..Hα-helixtrans-67.3-41.8174.6-61.1175.5-173.400112L15 K16 T17 Q29 R30 L31 G36 A37L15-E33 WeakPolarHBondContact CA-OE2 3.26Å; L15-E33 HydrophobicContact CB-CB 4.44Å; L15-E33 WeakPolarHBondContact CB-OE2 3.34Å; L15-E33 HydrophobicContact CD2-CB 3.75Å; L15-E33 HydrophobicContact CG-CB 3.89Å; K16-E33 PolarHBondContact N-OE2 3.18Å; T17-E33 WeakPolarHBondContact CB-OE1 3.36Å; T17-E33 PolarHBondContact N-OE1 2.91Å; T17-E33 PolarHBondContact N-OE2 2.78Å; T17-E33 PolarHBondContact OG1-OE1 3.48Å; Q29-E33 PolarHBondContact O-N 3.33Å; R30-E33 WeakPolarHBondContact O-CA 3.4Å; R30-E33 WeakPolarHBondContact O-CB 3.43Å; R30-E33 PolarHBondContact O-N 3.27Å; L31-E33 PolarHBondContact O-N 3.42Å; E33-G36 PolarHBondContact O-N 2.92Å; E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.79Å
34E98.2Very high96.9Very high0 Ų064.6 Ų64.60%032%0.324CS..Hα-helixtrans-61.1-49.5177.1-66.3-66.7174.500111.8L15 R30 L31 G36 A37 L38 Y89 G132 I133L15-E34 HydrophobicContact CD2-CG 3.84Å; L15-E34 VanDerWaalsContact CD2-OE1 3.27Å; L15-E34 WeakPolarHBondContact CD2-OE1 3.39Å; R30-E34 HydrophobicContact CG-CG 4.4Å; R30-E34 IonicContact CZ-OE1 3.9Å; R30-E34 IonicContact NE-OE1 2.77Å; R30-E34 PolarHBondContact NE-OE1 3.42Å; R30-E34 IonicContact NH2-OE1 2.77Å; R30-E34 PolarHBondContact NH2-OE1 3.2Å; R30-E34 WeakPolarHBondContact O-CG 3.5Å; R30-E34 PolarHBondContact O-N 3.14Å; L31-E34 PolarHBondContact O-N 2.98Å; L31-E34 VanDerWaalsContact O-N 3.13Å; E34-G36 PolarHBondContact O-N 3.12Å; E34-A37 PolarHBondContact O-N 3.38Å; E34-L38 WeakPolarHBondContact O-CB 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 2.85Å; E34-Y89 WeakPolarHBondContact OE1-CE1 3.23Å; E34-Y89 PolarHBondContact OE1-OH 3.43Å; E34-G132 WeakPolarHBondContact OE1-CA 3.47Å; E34-G132 WeakPolarHBondContact OE2-CA 3.5Å; E34-I133 HydrophobicContact CB-CD1 4.46Å; E34-I133 HydrophobicContact CG-CD1 4.45Å; E34-I133 PolarHBondContact OE2-N 2.92Å
35Y97.7Very high96.9Very high90 Ų9057.4 Ų57.435%0.35329%0.291SS..Hα-helixtrans-59.5-45.9176.4-82.7-68.1000111.6L31 A37 L38 I39 S57 W64L31-Y35 WeakPolarHBondContact O-CD2 3.45Å; L31-Y35 PolarHBondContact O-N 3.21Å; Y35-A37 VanDerWaalsContact C-N 3.32Å; Y35-A37 PolarHBondContact O-N 2.82Å; Y35-L38 PolarHBondContact O-N 2.87Å; Y35-I39 WeakPolarHBondContact O-CB 3.48Å; Y35-I39 WeakPolarHBondContact O-CD1 3.45Å; Y35-I39 WeakPolarHBondContact O-CG1 3.01Å; Y35-I39 PolarHBondContact O-N 3Å; Y35-S57 PolarHBondContact OH-OG 3.41Å; Y35-W64 HydrophobicContact CD1-CH2 4.22Å; Y35-W64 AromaticContact CE1-CH2 3.8Å; Y35-W64 HydrophobicContact CE1-CH2 3.8Å; Y35-W64 HydrophobicContact CE1-CZ3 4.19Å; Y35-W64 HydrophobicContact CE2-CH2 4.24Å; Y35-W64 AromaticContact CZ-CH2 3.82Å
36G97.4Very high96.8Very high38 Ų3854.8 Ų54.839%0.39228%0.277SS..Hα-helixtrans-60-40.6176.600000112.9K32 E33 E34 K40K32-G36 PolarHBondContact O-N 3.18Å; K32-G36 VanDerWaalsContact O-N 3.07Å; E33-G36 PolarHBondContact O-N 2.92Å; E34-G36 PolarHBondContact O-N 3.12Å; G36-K40 WeakPolarHBondContact O-CB 3.38Å; G36-K40 PolarHBondContact O-N 3.32Å; G36-K40 VanDerWaalsContact O-N 3.16Å
37A97.7Very high96.6Very high0 Ų054.9 Ų54.90%029%0.291CS..Hα-helixtrans-67.7-42.7176.700000112.4P13 L15 E33 E34 Y35 Y41 A134P13-A37 HydrophobicContact CB-CB 4.27Å; P13-A37 HydrophobicContact CG-CB 4.49Å; L15-A37 HydrophobicContact CD1-CB 4.1Å; E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.79Å; E34-A37 PolarHBondContact O-N 3.38Å; Y35-A37 VanDerWaalsContact C-N 3.32Å; Y35-A37 PolarHBondContact O-N 2.82Å; A37-Y41 WeakPolarHBondContact O-CB 3.44Å; A37-Y41 PolarHBondContact O-N 2.84Å; A37-A134 HydrophobicContact CB-CB 4.18Å
38L97.7Very high96.3Very high8 Ų857.5 Ų57.54%0.04231%0.312CS..Hα-helixtrans-64.8-46.8177.5-77.7169.4000112.2E34 Y35 K40 Y41 I42 F53 L55 W64 I133 A134E34-L38 WeakPolarHBondContact O-CB 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 2.85Å; Y35-L38 PolarHBondContact O-N 2.87Å; L38-K40 PolarHBondContact O-N 3.3Å; L38-Y41 WeakPolarHBondContact O-CB 3.43Å; L38-Y41 PolarHBondContact O-N 3.29Å; L38-I42 WeakPolarHBondContact O-CG1 3.32Å; L38-I42 PolarHBondContact O-N 2.86Å; L38-F53 HydrophobicContact CD2-CE2 4.02Å; L38-F53 HydrophobicContact CD2-CZ 4.35Å; L38-L55 HydrophobicContact CD2-CD1 4.11Å; L38-W64 HydrophobicContact CD1-CE3 4.32Å; L38-W64 HydrophobicContact CD1-CH2 3.61Å; L38-W64 HydrophobicContact CD1-CZ3 3.4Å; L38-W64 VanDerWaalsContact CD1-CZ3 3.4Å; L38-I133 HydrophobicContact CD1-CB 4.32Å; L38-I133 HydrophobicContact CD1-CG2 4.22Å; L38-I133 HydrophobicContact CD2-CB 4.38Å; L38-I133 HydrophobicContact CD2-CG2 4.02Å; L38-A134 HydrophobicContact CD2-CB 4.03Å; L38-A134 HydrophobicContact CG-CB 4.4Å
39I96.6Very high96.1Very high89 Ų8961.5 Ų61.546%0.45633%0.33SS..Hα-helixtrans-58.2-51.1178.3-70.5164.6000109.6Y35 Y41 I42 E43Y35-I39 WeakPolarHBondContact O-CB 3.48Å; Y35-I39 WeakPolarHBondContact O-CD1 3.45Å; Y35-I39 WeakPolarHBondContact O-CG1 3.01Å; Y35-I39 PolarHBondContact O-N 3Å; I39-Y41 VanDerWaalsContact C-N 3.28Å; I39-Y41 PolarHBondContact O-N 2.87Å; I39-I42 PolarHBondContact O-N 2.88Å; I39-E43 HydrophobicContact CG2-CG 4.26Å; I39-E43 WeakPolarHBondContact O-CB 3.49Å; I39-E43 WeakPolarHBondContact O-CG 3.31Å; I39-E43 PolarHBondContact O-N 3.3Å
40K96.2Very high95.8Very high115 Ų11560.5 Ų60.550%0.533%0.331SS..Hα-helixtrans-63.6-34.1179.7-175.4163.6166.9-171.60112.7P13 G36 L38 G44P13-K40 HydrophobicContact CG-CB 4.11Å; P13-K40 HydrophobicContact CG-CD 3.63Å; P13-K40 HydrophobicContact CG-CG 4.28Å; G36-K40 WeakPolarHBondContact O-CB 3.38Å; G36-K40 PolarHBondContact O-N 3.32Å; G36-K40 VanDerWaalsContact O-N 3.16Å; L38-K40 PolarHBondContact O-N 3.3Å; K40-G44 PolarHBondContact O-N 3.42Å
41Y96.7Very high95.6Very high15 Ų1562.3 Ų62.36%0.05934%0.34CS..Hα-helixtrans-63.6-49.4174.3-172.2-163.3000111.1V8 L12 A37 L38 I39 E43 G44 N45 W52 F53 A134 F137 A138V8-Y41 HydrophobicContact CG1-CD2 4.3Å; V8-Y41 HydrophobicContact CG1-CE2 3.51Å; L12-Y41 VanDerWaalsContact CD2-CB 3.45Å; L12-Y41 HydrophobicContact CD2-CD1 4.18Å; L12-Y41 HydrophobicContact CD2-CD2 3.76Å; L12-Y41 HydrophobicContact CD2-CG 3.54Å; A37-Y41 WeakPolarHBondContact O-CB 3.44Å; A37-Y41 PolarHBondContact O-N 2.84Å; L38-Y41 WeakPolarHBondContact O-CB 3.43Å; L38-Y41 PolarHBondContact O-N 3.29Å; I39-Y41 VanDerWaalsContact C-N 3.28Å; I39-Y41 PolarHBondContact O-N 2.87Å; Y41-E43 PolarHBondContact O-N 3.42Å; Y41-G44 PolarHBondContact O-N 2.88Å; Y41-N45 WeakPolarHBondContact CD2-ND2 3.33Å; Y41-N45 WeakPolarHBondContact CD2-OD1 3.46Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.21Å; Y41-N45 WeakPolarHBondContact CE2-OD1 3.42Å; Y41-N45 PolarHBondContact O-N 3.36Å; Y41-N45 PolarHBondContact O-ND2 3.02Å; Y41-N45 PolarHBondContact O-OD1 3.15Å; Y41-W52 HydrophobicContact CE1-CZ2 4.13Å; Y41-W52 AromaticContact CZ-NE1 3.75Å; Y41-W52 PolarHBondContact OH-NE1 2.94Å; Y41-W52 VanDerWaalsContact OH-NE1 3.17Å; Y41-F53 AromaticContact CD1-CE1 3.61Å; Y41-F53 HydrophobicContact CD1-CE1 3.61Å; Y41-F53 AromaticContact CD1-CZ 3.47Å; Y41-F53 HydrophobicContact CD1-CZ 3.47Å; Y41-F53 VanDerWaalsContact CD1-CZ 3.47Å; Y41-F53 AromaticContact CE1-CE1 3.49Å; Y41-F53 HydrophobicContact CE1-CE1 3.49Å; Y41-F53 VanDerWaalsContact CE1-CE1 3.49Å; Y41-F53 AromaticContact CE1-CZ 3.8Å; Y41-F53 HydrophobicContact CE1-CZ 3.8Å; Y41-F53 HydrophobicContact CG-CE1 4.36Å; Y41-F53 HydrophobicContact CG-CZ 4.26Å; Y41-A134 HydrophobicContact CD1-CB 4.1Å; Y41-F137 HydrophobicContact CE1-CB 4.34Å; Y41-A138 HydrophobicContact CE1-CB 3.98Å
42I95.6Very high95.6Very high24 Ų2463 Ų6312%0.12334%0.342CS..Hα-helixtrans-62.3-43.7179.3-71.3166.9000111.1L38 I39 G44 N45 K46 F53L38-I42 WeakPolarHBondContact O-CG1 3.32Å; L38-I42 PolarHBondContact O-N 2.86Å; I39-I42 PolarHBondContact O-N 2.88Å; I42-G44 PolarHBondContact O-N 3.49Å; I42-N45 PolarHBondContact O-N 3.29Å; I42-K46 HydrophobicContact CG2-CD 4.18Å; I42-K46 HydrophobicContact CG2-CG 4.45Å; I42-K46 WeakPolarHBondContact O-CG 3.22Å; I42-K46 PolarHBondContact O-N 2.69Å; I42-F53 HydrophobicContact CD1-CE2 3.96Å; I42-F53 HydrophobicContact CD1-CZ 4.28Å; I42-F53 HydrophobicContact CG1-CE1 4.31Å; I42-F53 HydrophobicContact CG1-CE2 3.94Å; I42-F53 HydrophobicContact CG1-CZ 3.75Å
43E95.3Very high95.6Very high116 Ų11655.6 Ų55.654%0.54231%0.31SS..Hα-helixtrans-59.7-44.8175.6-74.3175.4166.600111.8I39 Y41 N45 K46 A47I39-E43 HydrophobicContact CG2-CG 4.26Å; I39-E43 WeakPolarHBondContact O-CB 3.49Å; I39-E43 WeakPolarHBondContact O-CG 3.31Å; I39-E43 PolarHBondContact O-N 3.3Å; Y41-E43 PolarHBondContact O-N 3.42Å; E43-N45 VanDerWaalsContact C-N 3.34Å; E43-N45 PolarHBondContact O-N 3.37Å; E43-K46 PolarHBondContact O-N 3.35Å; E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 2.82Å
44G93.8Very high95.5Very high37 Ų3757.8 Ų57.838%0.38132%0.316SS..Hα-helixtrans-61.9-40.4175.500000112.8K40 Y41 I42 S48K40-G44 PolarHBondContact O-N 3.42Å; Y41-G44 PolarHBondContact O-N 2.88Å; I42-G44 PolarHBondContact O-N 3.49Å; G44-S48 PolarHBondContact O-N 3.01Å; G44-S48 PolarHBondContact O-OG 3.14Å
45N93.8Very high95.5Very high10 Ų1059 Ų595%0.05332%0.322CS..Hα-helixtrans-66.2-45.4176.5-64.5-16.6000111.1Y41 I42 E43 A47 S48 D49 T50 W52Y41-N45 WeakPolarHBondContact CD2-ND2 3.33Å; Y41-N45 WeakPolarHBondContact CD2-OD1 3.46Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.21Å; Y41-N45 WeakPolarHBondContact CE2-OD1 3.42Å; Y41-N45 PolarHBondContact O-N 3.36Å; Y41-N45 PolarHBondContact O-ND2 3.02Å; Y41-N45 PolarHBondContact O-OD1 3.15Å; I42-N45 PolarHBondContact O-N 3.29Å; E43-N45 VanDerWaalsContact C-N 3.34Å; E43-N45 PolarHBondContact O-N 3.37Å; N45-A47 PolarHBondContact O-N 3.46Å; N45-S48 CarbonylContact O-C 3.59Å; N45-S48 PolarHBondContact O-N 3.03Å; N45-S48 PolarHBondContact O-OG 3.48Å; N45-S48 VanDerWaalsContact O-OG 3.09Å; N45-D49 PolarHBondContact O-N 2.9Å; N45-T50 PolarHBondContact O-N 2.82Å; N45-T50 PolarHBondContact O-OG1 3.47Å; N45-W52 PolarHBondContact ND2-NE1 2.85Å
46K94.1Very high95.5Very high112 Ų11260.9 Ų60.949%0.48733%0.334SS..Hα-helixtrans-59.9-45.4175.4-74.6177.1177.3-178.50112.4I42 E43 S48 D49 D51I42-K46 HydrophobicContact CG2-CD 4.18Å; I42-K46 HydrophobicContact CG2-CG 4.45Å; I42-K46 WeakPolarHBondContact O-CG 3.22Å; I42-K46 PolarHBondContact O-N 2.69Å; E43-K46 PolarHBondContact O-N 3.35Å; K46-S48 PolarHBondContact O-N 3.49Å; K46-D49 PolarHBondContact O-N 3.08Å; K46-D49 VanDerWaalsContact O-N 3.15Å; K46-D51 HydrophobicContact CG-CB 4.15Å
47A93.7Very high95.5Very high95 Ų9560 Ų6079%0.78532%0.323SS*.Hα-helixtrans-64.6-21.3179.700000113E43 N45E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 2.82Å; N45-A47 PolarHBondContact O-N 3.46Å
48S91.7Very high95.5Very high68 Ų6862.5 Ų62.548%0.47634%0.336SS..THydrogen-bonded Turntrans-105.37.5177.556.20000114G44 N45 K46 T50G44-S48 PolarHBondContact O-N 3.01Å; G44-S48 PolarHBondContact O-OG 3.14Å; N45-S48 CarbonylContact O-C 3.59Å; N45-S48 PolarHBondContact O-N 3.03Å; N45-S48 PolarHBondContact O-OG 3.48Å; N45-S48 VanDerWaalsContact O-OG 3.09Å; K46-S48 PolarHBondContact O-N 3.49Å; S48-T50 PolarHBondContact O-N 3.24Å; S48-T50 PolarHBondContact OG-OG1 3.22Å
49D91.7Very high95.3Very high158 Ų15867.1 Ų67.185%0.84538%0.375SS*.THydrogen-bonded Turntrans54.738-175.5-157.532.9000113.7N45 K46N45-D49 PolarHBondContact O-N 2.9Å; K46-D49 PolarHBondContact O-N 3.08Å; K46-D49 VanDerWaalsContact O-N 3.15Å
50T91.6Very high95.2Very high77 Ų7768.2 Ų68.247%0.47238%0.382SS..  trans-122.826.2178.459.40000112.2N45 S48 W52N45-T50 PolarHBondContact O-N 2.82Å; N45-T50 PolarHBondContact O-OG1 3.47Å; S48-T50 PolarHBondContact O-N 3.24Å; S48-T50 PolarHBondContact OG-OG1 3.22Å; T50-W52 PolarHBondContact O-N 2.93Å
51D94.7Very high95.3Very high37 Ų3762.8 Ų62.820%0.19836%0.359CS..  trans-61.4129.5178.1-165.126.4000110.6K46 R54 W69K46-D51 HydrophobicContact CG-CB 4.15Å; D51-R54 IonicContact OD1-CZ 3.95Å; D51-R54 IonicContact OD1-NH1 3.82Å; D51-R54 PolarHBondContact OD1-NH1 3.39Å; D51-R54 IonicContact OD1-NH2 2.68Å; D51-R54 IonicContact OD2-CZ 3.2Å; D51-R54 VanDerWaalsContact OD2-CZ 3.24Å; D51-R54 IonicContact OD2-NH1 2.63Å; D51-R54 PolarHBondContact OD2-NH1 2.99Å; D51-R54 IonicContact OD2-NH2 3.24Å; D51-R54 PolarHBondContact OD2-NH2 3.35Å; D51-W69 HydrophobicContact CB-CZ2 4.22Å; D51-W69 PolarHBondContact O-NE1 3.38Å
52W96.5Very high95.3Very high34 Ų3464.1 Ų64.113%0.12937%0.368CS..  trans-143.5-2.5-169.772.3-88.8000114.8Y41 N45 T50 C68 W69 F137 L141 L145Y41-W52 HydrophobicContact CE1-CZ2 4.13Å; Y41-W52 AromaticContact CZ-NE1 3.75Å; Y41-W52 PolarHBondContact OH-NE1 2.94Å; Y41-W52 VanDerWaalsContact OH-NE1 3.17Å; N45-W52 PolarHBondContact ND2-NE1 2.85Å; T50-W52 PolarHBondContact O-N 2.93Å; W52-C68 HydrophobicContact CE3-CB 4.19Å; W52-C68 HydrophobicContact CZ3-CB 4.19Å; W52-C68 CarbonylContact O-C 3.52Å; W52-C68 VanDerWaalsContact O-CA 3.3Å; W52-C68 WeakPolarHBondContact O-CA 3.22Å; W52-W69 PolarHBondContact O-N 2.93Å; W52-F137 HydrophobicContact CH2-CB 3.91Å; W52-F137 AromaticContact CH2-CD1 3.69Å; W52-F137 HydrophobicContact CH2-CD1 3.69Å; W52-F137 HydrophobicContact CH2-CG 4.21Å; W52-F137 HydrophobicContact CZ2-CB 4.09Å; W52-F137 HydrophobicContact CZ2-CD1 4.34Å; W52-F137 HydrophobicContact CZ3-CD1 4.2Å; W52-L141 HydrophobicContact CH2-CB 4.19Å; W52-L141 HydrophobicContact CH2-CD2 3.99Å; W52-L141 HydrophobicContact CH2-CG 4.08Å; W52-L141 HydrophobicContact CZ3-CB 4.47Å; W52-L141 HydrophobicContact CZ3-CD2 3.68Å; W52-L141 HydrophobicContact CZ3-CG 3.86Å; W52-L145 HydrophobicContact CE3-CD1 3.98Å; W52-L145 HydrophobicContact CZ3-CD1 3.76Å
53F98Very high95.5Very high0 Ų068.5 Ų68.50%038%0.383CS..EExtended strand (participates in β ladder)trans-157.9160.6175.973-80.4000114.5L38 Y41 I42 L55 K67 C68 F137L38-F53 HydrophobicContact CD2-CE2 4.02Å; L38-F53 HydrophobicContact CD2-CZ 4.35Å; Y41-F53 AromaticContact CD1-CE1 3.61Å; Y41-F53 HydrophobicContact CD1-CE1 3.61Å; Y41-F53 AromaticContact CD1-CZ 3.47Å; Y41-F53 HydrophobicContact CD1-CZ 3.47Å; Y41-F53 VanDerWaalsContact CD1-CZ 3.47Å; Y41-F53 AromaticContact CE1-CE1 3.49Å; Y41-F53 HydrophobicContact CE1-CE1 3.49Å; Y41-F53 VanDerWaalsContact CE1-CE1 3.49Å; Y41-F53 AromaticContact CE1-CZ 3.8Å; Y41-F53 HydrophobicContact CE1-CZ 3.8Å; Y41-F53 HydrophobicContact CG-CE1 4.36Å; Y41-F53 HydrophobicContact CG-CZ 4.26Å; I42-F53 HydrophobicContact CD1-CE2 3.96Å; I42-F53 HydrophobicContact CD1-CZ 4.28Å; I42-F53 HydrophobicContact CG1-CE1 4.31Å; I42-F53 HydrophobicContact CG1-CE2 3.94Å; I42-F53 HydrophobicContact CG1-CZ 3.75Å; F53-L55 HydrophobicContact CD2-CD1 4.21Å; F53-L55 HydrophobicContact CD2-CG 4.09Å; F53-L55 HydrophobicContact CE2-CD1 4.18Å; F53-L55 HydrophobicContact CE2-CG 4.46Å; F53-K67 CarbonylContact C-O 3.51Å; F53-K67 VanDerWaalsContact CA-O 3.29Å; F53-K67 WeakPolarHBondContact CA-O 3.34Å; F53-C68 HydrophobicContact CB-CB 3.99Å; F53-F137 HydrophobicContact CB-CD1 4.38Å; F53-F137 HydrophobicContact CB-CE1 4.31Å; F53-F137 HydrophobicContact CD1-CD1 4.2Å; F53-F137 AromaticContact CD2-CD1 3.71Å; F53-F137 HydrophobicContact CD2-CD1 3.71Å; F53-F137 AromaticContact CD2-CE1 3.87Å; F53-F137 HydrophobicContact CD2-CE1 3.87Å; F53-F137 HydrophobicContact CE1-CD1 4.45Å; F53-F137 AromaticContact CE2-CD1 3.99Å; F53-F137 HydrophobicContact CE2-CD1 3.99Å; F53-F137 HydrophobicContact CE2-CE1 4.46Å; F53-F137 AromaticContact CG-CD1 3.82Å; F53-F137 HydrophobicContact CG-CD1 3.82Å; F53-F137 HydrophobicContact CG-CE1 4.12Å; F53-F137 HydrophobicContact CZ-CD1 4.36Å
54R97.4Very high95.6Very high90 Ų9063 Ų6334%0.3436%0.358SS..EExtended strand (participates in β ladder)trans-135.4141.8166.7-72-67.3-178.7-88.2-14.1109.4D51 G66 K67 W69D51-R54 IonicContact OD1-CZ 3.95Å; D51-R54 IonicContact OD1-NH1 3.82Å; D51-R54 PolarHBondContact OD1-NH1 3.39Å; D51-R54 IonicContact OD1-NH2 2.68Å; D51-R54 IonicContact OD2-CZ 3.2Å; D51-R54 VanDerWaalsContact OD2-CZ 3.24Å; D51-R54 IonicContact OD2-NH1 2.63Å; D51-R54 PolarHBondContact OD2-NH1 2.99Å; D51-R54 IonicContact OD2-NH2 3.24Å; D51-R54 PolarHBondContact OD2-NH2 3.35Å; R54-G66 WeakPolarHBondContact O-CA 3.05Å; R54-K67 PolarHBondContact N-O 3.37Å; R54-K67 PolarHBondContact O-N 3.39Å; R54-K67 VanDerWaalsContact O-O 3.13Å; R54-W69 HydrophobicContact CG-CH2 4.03Å; R54-W69 HydrophobicContact CG-CZ3 4.16Å
55L97.5Very high95.8Very high25 Ų2565.2 Ų65.213%0.13136%0.357CS..EExtended strand (participates in β ladder)trans-138.2143179.5-80.7176.3000110.1L38 F53 W64 V81 F83 I133 F137L38-L55 HydrophobicContact CD2-CD1 4.11Å; F53-L55 HydrophobicContact CD2-CD1 4.21Å; F53-L55 HydrophobicContact CD2-CG 4.09Å; F53-L55 HydrophobicContact CE2-CD1 4.18Å; F53-L55 HydrophobicContact CE2-CG 4.46Å; L55-W64 HydrophobicContact CB-CE3 4.13Å; L55-W64 HydrophobicContact CB-CZ3 4.41Å; L55-W64 HydrophobicContact CD1-CE3 4.42Å; L55-V81 HydrophobicContact CD2-CG1 3.92Å; L55-F83 HydrophobicContact CD1-CE1 4.33Å; L55-F83 HydrophobicContact CD1-CZ 4.35Å; L55-F83 HydrophobicContact CD2-CE1 4Å; L55-I133 HydrophobicContact CD1-CG2 3.99Å; L55-F137 HydrophobicContact CD1-CD1 4.27Å; L55-F137 HydrophobicContact CD1-CD2 4.33Å; L55-F137 HydrophobicContact CD1-CE1 3.73Å; L55-F137 HydrophobicContact CD1-CE2 3.82Å; L55-F137 HydrophobicContact CD1-CZ 3.52Å; L55-F137 HydrophobicContact CD2-CE1 4.28Å; L55-F137 HydrophobicContact CD2-CZ 3.86Å; L55-F137 HydrophobicContact CG-CE1 4.04Å; L55-F137 HydrophobicContact CG-CZ 3.98Å
56E97.2Very high96Very high130 Ų13065.8 Ų65.861%0.60737%0.365SS*.EExtended strand (participates in β ladder)trans-130.9164.4169.4-64.8179.4-17200108.4W64 F65E56-W64 VanDerWaalsContact O-CA 3.32Å; E56-W64 WeakPolarHBondContact O-CA 3.35Å; E56-F65 HydrophobicContact CB-CD2 4.46Å; E56-F65 HydrophobicContact CB-CE2 3.99Å; E56-F65 HydrophobicContact CB-CZ 4.31Å; E56-F65 PolarHBondContact N-O 3.17Å; E56-F65 PolarHBondContact O-N 3.47Å; E56-F65 VanDerWaalsContact O-O 3.09Å
57S97.9Very high96.2Very high21 Ų2164.2 Ų64.215%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-128.2162.5173.582.90000111.1Y35 G61 R63Y35-S57 PolarHBondContact OH-OG 3.41Å; S57-G61 WeakPolarHBondContact OG-CA 3.43Å; S57-R63 CarbonylContact C-O 3.49Å; S57-R63 VanDerWaalsContact CA-O 3.22Å; S57-R63 WeakPolarHBondContact CA-O 3.34Å; S57-R63 WeakPolarHBondContact CB-O 3.16Å
58N97.2Very high96.4Very high51 Ų5159.7 Ų59.727%0.27332%0.32SS..  trans-61.6168.9160.367.9-19.2000111.2D60 G61 T62 R63N58-D60 PolarHBondContact O-N 3.49Å; N58-D60 VanDerWaalsContact O-N 3.14Å; N58-G61 PolarHBondContact O-N 3.02Å; N58-G61 WeakPolarHBondContact OD1-CA 3.49Å; N58-G61 PolarHBondContact OD1-N 3Å; N58-G61 VanDerWaalsContact OD1-N 3.13Å; N58-T62 PolarHBondContact ND2-OG1 3.24Å; N58-T62 PolarHBondContact OD1-N 2.74Å; N58-R63 PolarHBondContact N-O 3.47Å; N58-R63 PolarHBondContact OD1-N 3.48Å; N58-R63 PolarHBondContact OD1-O 2.94Å
59A95.2Very high96.7Very high106 Ų10657.7 Ų57.788%0.87630%0.303SS*.THydrogen-bonded Turntrans-54.6-35.7-176.400000113.6G61A59-G61 VanDerWaalsContact C-N 3.35Å
60D94.5Very high96.9Very high112 Ų11253.4 Ų53.460%0.59928%0.275SS*.THydrogen-bonded Turntrans-88.8-1.1-177.9-52.7-38.3000113.4W27 N58 T62W27-D60 PolarHBondContact NE1-O 2.57Å; N58-D60 PolarHBondContact O-N 3.49Å; N58-D60 VanDerWaalsContact O-N 3.14Å; D60-T62 HydrophobicContact CB-CG2 4.16Å; D60-T62 PolarHBondContact O-N 3.16Å
61G97.1Very high97Very high1 Ų156.4 Ų56.41%0.0128%0.279CS..SBendtrans66.316.9-179.500000115.1W27 S57 N58 A59 W64 I85W27-G61 WeakPolarHBondContact CZ2-O 3.42Å; S57-G61 WeakPolarHBondContact OG-CA 3.43Å; N58-G61 PolarHBondContact O-N 3.02Å; N58-G61 WeakPolarHBondContact OD1-CA 3.49Å; N58-G61 PolarHBondContact OD1-N 3Å; N58-G61 VanDerWaalsContact OD1-N 3.13Å; A59-G61 VanDerWaalsContact C-N 3.35Å; G61-W64 PolarHBondContact O-NE1 2.81Å; G61-I85 WeakPolarHBondContact O-CG1 3.37Å
62T97.5Very high97Very high42 Ų4256.3 Ų56.326%0.25828%0.277SS..SBendtrans-93.4-21.9-175.553.80000113.8P21 N58 D60 D84 I85P21-T62 HydrophobicContact CB-CG2 3.86Å; P21-T62 HydrophobicContact CG-CG2 4.3Å; N58-T62 PolarHBondContact ND2-OG1 3.24Å; N58-T62 PolarHBondContact OD1-N 2.74Å; D60-T62 HydrophobicContact CB-CG2 4.16Å; D60-T62 PolarHBondContact O-N 3.16Å; T62-D84 CarbonylContact O-C 3.58Å; T62-D84 WeakPolarHBondContact O-CA 3.3Å; T62-I85 PolarHBondContact O-N 3.47Å
63R98.2Very high96.8Very high116 Ų11661.2 Ų61.244%0.43830%0.301SS..EExtended strand (participates in β ladder)trans-124.6131.4172-179.5168.4-178.9-1753109.2S57 N58 E82 D84S57-R63 CarbonylContact C-O 3.49Å; S57-R63 VanDerWaalsContact CA-O 3.22Å; S57-R63 WeakPolarHBondContact CA-O 3.34Å; S57-R63 WeakPolarHBondContact CB-O 3.16Å; N58-R63 PolarHBondContact N-O 3.47Å; N58-R63 PolarHBondContact OD1-N 3.48Å; N58-R63 PolarHBondContact OD1-O 2.94Å; R63-E82 IonicContact CZ-OE2 2.85Å; R63-E82 IonicContact NH2-OE2 2.7Å; R63-E82 PolarHBondContact NH2-OE2 3.15Å; R63-D84 WeakPolarHBondContact CB-OD1 3.46Å; R63-D84 VanDerWaalsContact CG-OD1 3.24Å; R63-D84 WeakPolarHBondContact CG-OD1 3.43Å
64W98.6Very high96.5Very high1 Ų170.1 Ų70.10%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-119.2141.8-179.3-6972.9000109.8L31 Y35 L38 L55 E56 G61 E82 F83 I133L31-W64 HydrophobicContact CD2-CZ2 4.14Å; Y35-W64 HydrophobicContact CD1-CH2 4.22Å; Y35-W64 AromaticContact CE1-CH2 3.8Å; Y35-W64 HydrophobicContact CE1-CH2 3.8Å; Y35-W64 HydrophobicContact CE1-CZ3 4.19Å; Y35-W64 HydrophobicContact CE2-CH2 4.24Å; Y35-W64 AromaticContact CZ-CH2 3.82Å; L38-W64 HydrophobicContact CD1-CE3 4.32Å; L38-W64 HydrophobicContact CD1-CH2 3.61Å; L38-W64 HydrophobicContact CD1-CZ3 3.4Å; L38-W64 VanDerWaalsContact CD1-CZ3 3.4Å; L55-W64 HydrophobicContact CB-CE3 4.13Å; L55-W64 HydrophobicContact CB-CZ3 4.41Å; L55-W64 HydrophobicContact CD1-CE3 4.42Å; E56-W64 VanDerWaalsContact O-CA 3.32Å; E56-W64 WeakPolarHBondContact O-CA 3.35Å; G61-W64 PolarHBondContact O-NE1 2.81Å; W64-E82 VanDerWaalsContact O-CA 3.28Å; W64-E82 WeakPolarHBondContact O-CA 3.43Å; W64-F83 HydrophobicContact CB-CD1 4.13Å; W64-F83 HydrophobicContact CB-CD2 4.01Å; W64-F83 HydrophobicContact CB-CE1 3.63Å; W64-F83 HydrophobicContact CB-CE2 3.52Å; W64-F83 HydrophobicContact CB-CG 4.3Å; W64-F83 HydrophobicContact CB-CZ 3.3Å; W64-F83 AromaticContact CD1-CE2 3.76Å; W64-F83 HydrophobicContact CD2-CE2 4.4Å; W64-F83 HydrophobicContact CD2-CZ 4.18Å; W64-F83 HydrophobicContact CG-CD2 4.38Å; W64-F83 HydrophobicContact CG-CE1 4.42Å; W64-F83 AromaticContact CG-CE2 3.6Å; W64-F83 HydrophobicContact CG-CE2 3.6Å; W64-F83 AromaticContact CG-CZ 3.61Å; W64-F83 HydrophobicContact CG-CZ 3.61Å; W64-F83 PolarHBondContact N-O 2.8Å; W64-F83 PolarHBondContact O-N 3.09Å; W64-I133 HydrophobicContact CD2-CD1 3.8Å; W64-I133 HydrophobicContact CE3-CD1 4.28Å; W64-I133 HydrophobicContact CG-CD1 4.38Å; W64-I133 HydrophobicContact CH2-CD1 3.94Å; W64-I133 HydrophobicContact CZ2-CD1 3.41Å; W64-I133 VanDerWaalsContact CZ2-CD1 3.41Å; W64-I133 HydrophobicContact CZ3-CD1 4.35Å
65F98.5Very high96.4Very high84 Ų8469.1 Ų69.137%0.36835%0.346SS..EExtended strand (participates in β ladder)trans-150.5158-179.753.2-90.5000109.9E56 V81 E82E56-F65 HydrophobicContact CB-CD2 4.46Å; E56-F65 HydrophobicContact CB-CE2 3.99Å; E56-F65 HydrophobicContact CB-CZ 4.31Å; E56-F65 PolarHBondContact N-O 3.17Å; E56-F65 PolarHBondContact O-N 3.47Å; E56-F65 VanDerWaalsContact O-O 3.09Å; F65-V81 CarbonylContact C-O 3.55Å; F65-V81 VanDerWaalsContact CA-O 3.26Å; F65-V81 WeakPolarHBondContact CA-O 3.45Å; F65-E82 HydrophobicContact CB-CB 4.37Å
66G98Very high96.3Very high21 Ų2171.2 Ų71.222%0.21635%0.354CS..EExtended strand (participates in β ladder)trans165.2-149.7178.100000111.1R54 V81R54-G66 WeakPolarHBondContact O-CA 3.05Å; G66-V81 PolarHBondContact N-O 3.07Å; G66-V81 PolarHBondContact O-N 2.85Å
67K98.1Very high96.2Very high79 Ų7965.6 Ų65.634%0.34333%0.327SS..EExtended strand (participates in β ladder)trans-135.4143.3-179.4-65.8-173.8174.3-76.70111.2F53 R54 E78 F79 D80F53-K67 CarbonylContact C-O 3.51Å; F53-K67 VanDerWaalsContact CA-O 3.29Å; F53-K67 WeakPolarHBondContact CA-O 3.34Å; R54-K67 PolarHBondContact N-O 3.37Å; R54-K67 PolarHBondContact O-N 3.39Å; R54-K67 VanDerWaalsContact O-O 3.13Å; K67-E78 HydrophobicContact CB-CG 4.35Å; K67-E78 HydrophobicContact CD-CG 4.14Å; K67-E78 WeakPolarHBondContact CD-OE1 3.42Å; K67-E78 IonicContact NZ-OE1 2.8Å; K67-F79 VanDerWaalsContact CA-O 3.31Å; K67-F79 WeakPolarHBondContact CA-O 3.43Å; K67-D80 WeakPolarHBondContact CE-OD1 3.46Å; K67-D80 WeakPolarHBondContact CG-OD1 3.4Å; K67-D80 IonicContact NZ-OD1 3.03Å; K67-D80 PolarHBondContact NZ-OD1 3.35Å
68C97.9Very high96.2Very high0 Ų066.8 Ų66.80%033%0.331CS..EExtended strand (participates in β ladder)trans-120.5155.5165.666.20000109.8W52 F53 E78 F79 L141 L145W52-C68 HydrophobicContact CE3-CB 4.19Å; W52-C68 HydrophobicContact CZ3-CB 4.19Å; W52-C68 CarbonylContact O-C 3.52Å; W52-C68 VanDerWaalsContact O-CA 3.3Å; W52-C68 WeakPolarHBondContact O-CA 3.22Å; F53-C68 HydrophobicContact CB-CB 3.99Å; C68-E78 WeakPolarHBondContact O-CA 3.26Å; C68-F79 PolarHBondContact N-O 3.39Å; C68-F79 PolarHBondContact O-N 2.86Å; C68-L141 HydrophobicContact CB-CD2 4.23Å; C68-L145 HydrophobicContact CB-CD1 4.37Å
69W97Very high96.2Very high27 Ų2764.6 Ų64.610%0.10232%0.318CS..EExtended strand (participates in β ladder)trans-140.2156176.756.790.1000112.1D51 W52 R54 Y71 K76 Y77 E78D51-W69 HydrophobicContact CB-CZ2 4.22Å; D51-W69 PolarHBondContact O-NE1 3.38Å; W52-W69 PolarHBondContact O-N 2.93Å; R54-W69 HydrophobicContact CG-CH2 4.03Å; R54-W69 HydrophobicContact CG-CZ3 4.16Å; W69-Y71 AromaticContact CD1-CE2 3.83Å; W69-K76 HydrophobicContact CB-CD 4.4Å; W69-K76 VanDerWaalsContact CB-CE 3.44Å; W69-K76 HydrophobicContact CB-CG 4.07Å; W69-K76 VanDerWaalsContact CD1-CE 3.4Å; W69-K76 HydrophobicContact CG-CD 4.41Å; W69-K76 HydrophobicContact CG-CG 4.39Å; W69-Y77 CarbonylContact C-O 3.54Å; W69-Y77 WeakPolarHBondContact CA-O 3.46Å; W69-Y77 WeakPolarHBondContact CB-O 3.37Å; W69-E78 HydrophobicContact CB-CB 4.22Å; W69-E78 HydrophobicContact CB-CG 4.34Å
70Y96.1Very high96.3Very high68 Ų6862.9 Ų62.927%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-138.8136.3179.7-170.7-92.7000109.8H72 Y77 L145 A146 V149 P150Y70-H72 HydrophobicContact CD1-CB 4.24Å; Y70-H72 HydrophobicContact CE1-CB 4.18Å; Y70-Y77 PolarHBondContact N-O 2.69Å; Y70-Y77 PolarHBondContact O-N 3.05Å; Y70-L145 HydrophobicContact CD2-CB 4.06Å; Y70-A146 HydrophobicContact CE2-CB 4.05Å; Y70-V149 HydrophobicContact CD1-CB 3.85Å; Y70-V149 HydrophobicContact CD1-CG1 3.69Å; Y70-V149 HydrophobicContact CD1-CG2 4.43Å; Y70-V149 HydrophobicContact CE1-CB 4.44Å; Y70-V149 HydrophobicContact CE1-CG1 4.49Å; Y70-V149 HydrophobicContact CG-CB 4.27Å; Y70-V149 HydrophobicContact CG-CG1 4.31Å; Y70-V149 HydrophobicContact CG-CG2 4.36Å; Y70-P150 HydrophobicContact CE1-CG 4.28Å
71Y94Very high96.4Very high139 Ų13957.7 Ų57.755%0.54527%0.267SS..EExtended strand (participates in β ladder)trans-94.5123.3175.6-76.8-93.3000110W69 I75 K76W69-Y71 AromaticContact CD1-CE2 3.83Å; Y71-I75 WeakPolarHBondContact CA-O 3.49Å; Y71-K76 HydrophobicContact CD1-CB 4.15Å; Y71-K76 HydrophobicContact CE1-CB 3.67Å; Y71-K76 HydrophobicContact CE1-CG 4.16Å; Y71-K76 HydrophobicContact CE2-CB 4.5Å; Y71-K76 HydrophobicContact CE2-CG 4.1Å
72H94.5Very high96.5Very high36 Ų3660.9 Ų60.917%0.16728%0.282CS..EExtended strand (participates in β ladder)trans-132.5129.1172.1-169.559.8000108.8Y70 M74 I75 Y77Y70-H72 HydrophobicContact CD1-CB 4.24Å; Y70-H72 HydrophobicContact CE1-CB 4.18Å; H72-M74 VanDerWaalsContact C-N 3.28Å; H72-M74 PolarHBondContact O-N 2.7Å; H72-I75 PolarHBondContact N-O 3.18Å; H72-I75 WeakPolarHBondContact O-CB 3.47Å; H72-I75 PolarHBondContact O-N 3.27Å; H72-Y77 HydrophobicContact CB-CD2 4.28Å; H72-Y77 HydrophobicContact CB-CE2 3.98Å
73E93Very high96.5Very high137 Ų13759.2 Ų59.264%0.6427%0.271SS*.THydrogen-bonded Turntrans51.643.6-177.4-57.5-173.5153.600113.7I75E73-I75 PolarHBondContact O-N 3.21Å; E73-I75 VanDerWaalsContact O-N 3.16Å
74M91.8Very high96.5Very high186 Ų18658.6 Ų58.692%0.91628%0.276SS*.THydrogen-bonded Turntrans63.910.1-176.9-55.3-66.4-72.800115.1H72H72-M74 VanDerWaalsContact C-N 3.28Å; H72-M74 PolarHBondContact O-N 2.7Å
75I94.3Very high96.5Very high69 Ų6959.1 Ų59.135%0.35428%0.279SS..EExtended strand (participates in β ladder)trans-107.3133.5177.7-61.7173.9000109.5Y71 H72 E73 Y77Y71-I75 WeakPolarHBondContact CA-O 3.49Å; H72-I75 PolarHBondContact N-O 3.18Å; H72-I75 WeakPolarHBondContact O-CB 3.47Å; H72-I75 PolarHBondContact O-N 3.27Å; E73-I75 PolarHBondContact O-N 3.21Å; E73-I75 VanDerWaalsContact O-N 3.16Å; I75-Y77 HydrophobicContact CB-CE2 3.87Å; I75-Y77 HydrophobicContact CG2-CD2 4.35Å; I75-Y77 HydrophobicContact CG2-CE2 3.72Å; I75-Y77 WeakPolarHBondContact O-CD2 3.47Å
76K95.3Very high96.4Very high69 Ų6956.7 Ų56.730%0.327%0.272SS..EExtended strand (participates in β ladder)trans-83.2126.2174.7-168.6-170.7-176.1-160.40110W69 Y71 E78 S160W69-K76 HydrophobicContact CB-CD 4.4Å; W69-K76 VanDerWaalsContact CB-CE 3.44Å; W69-K76 HydrophobicContact CB-CG 4.07Å; W69-K76 VanDerWaalsContact CD1-CE 3.4Å; W69-K76 HydrophobicContact CG-CD 4.41Å; W69-K76 HydrophobicContact CG-CG 4.39Å; Y71-K76 HydrophobicContact CD1-CB 4.15Å; Y71-K76 HydrophobicContact CE1-CB 3.67Å; Y71-K76 HydrophobicContact CE1-CG 4.16Å; Y71-K76 HydrophobicContact CE2-CB 4.5Å; Y71-K76 HydrophobicContact CE2-CG 4.1Å; K76-E78 WeakPolarHBondContact CE-OE2 3.45Å; K76-E78 IonicContact NZ-OE2 3.82Å; K76-E78 PolarHBondContact NZ-OE2 3.29Å; K76-S160 WeakPolarHBondContact O-CB 3.45Å
77Y96.5Very high96.3Very high13 Ų1359.4 Ų59.45%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-110.5126.4168.8-62.5-92.8000108.3W69 Y70 H72 I75 V149 V153 I158W69-Y77 CarbonylContact C-O 3.54Å; W69-Y77 WeakPolarHBondContact CA-O 3.46Å; W69-Y77 WeakPolarHBondContact CB-O 3.37Å; Y70-Y77 PolarHBondContact N-O 2.69Å; Y70-Y77 PolarHBondContact O-N 3.05Å; H72-Y77 HydrophobicContact CB-CD2 4.28Å; H72-Y77 HydrophobicContact CB-CE2 3.98Å; I75-Y77 HydrophobicContact CB-CE2 3.87Å; I75-Y77 HydrophobicContact CG2-CD2 4.35Å; I75-Y77 HydrophobicContact CG2-CE2 3.72Å; I75-Y77 WeakPolarHBondContact O-CD2 3.47Å; Y77-V149 HydrophobicContact CD2-CG1 4.29Å; Y77-V149 HydrophobicContact CG-CG1 4.3Å; Y77-V153 HydrophobicContact CD1-CG2 4.22Å; Y77-V153 HydrophobicContact CD2-CG2 4.27Å; Y77-V153 HydrophobicContact CE1-CG2 3.62Å; Y77-V153 HydrophobicContact CE2-CG2 3.7Å; Y77-V153 WeakPolarHBondContact OH-CG1 3.44Å; Y77-V153 WeakPolarHBondContact OH-CG2 3.44Å; Y77-I158 HydrophobicContact CD1-CD1 3.85Å; Y77-I158 HydrophobicContact CD1-CG1 4.15Å; Y77-I158 HydrophobicContact CE1-CD1 4.27Å; Y77-I158 HydrophobicContact CE1-CG1 4.24Å; Y77-I158 HydrophobicContact CG-CD1 4.37Å
78E97Very high96.3Very high46 Ų4659.5 Ų59.522%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-121.3139.6-175.5-172.5173.1110.100109.7K67 C68 W69 K76K67-E78 HydrophobicContact CB-CG 4.35Å; K67-E78 HydrophobicContact CD-CG 4.14Å; K67-E78 WeakPolarHBondContact CD-OE1 3.42Å; K67-E78 IonicContact NZ-OE1 2.8Å; C68-E78 WeakPolarHBondContact O-CA 3.26Å; W69-E78 HydrophobicContact CB-CB 4.22Å; W69-E78 HydrophobicContact CB-CG 4.34Å; K76-E78 WeakPolarHBondContact CE-OE2 3.45Å; K76-E78 IonicContact NZ-OE2 3.82Å; K76-E78 PolarHBondContact NZ-OE2 3.29Å
79F96.8Very high96.3Very high4 Ų459.8 Ų59.82%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-138140-176.2-47.3-70.3000110.5K67 C68 L98 L101 L145 V149 I158K67-F79 VanDerWaalsContact CA-O 3.31Å; K67-F79 WeakPolarHBondContact CA-O 3.43Å; C68-F79 PolarHBondContact N-O 3.39Å; C68-F79 PolarHBondContact O-N 2.86Å; F79-L98 HydrophobicContact CB-CD2 4.27Å; F79-L101 HydrophobicContact CD1-CD1 4.37Å; F79-L101 HydrophobicContact CD1-CD2 3.91Å; F79-L101 HydrophobicContact CD1-CG 4.19Å; F79-L101 HydrophobicContact CE1-CD1 4.37Å; F79-L101 HydrophobicContact CE1-CD2 3.69Å; F79-L101 HydrophobicContact CE1-CG 4.35Å; F79-L101 HydrophobicContact CZ-CD2 4.4Å; F79-L145 HydrophobicContact CD2-CD2 4.17Å; F79-L145 HydrophobicContact CE2-CD2 4.19Å; F79-V149 HydrophobicContact CE2-CG2 3.77Å; F79-V149 HydrophobicContact CZ-CG2 4.12Å; F79-I158 HydrophobicContact CE1-CD1 4.33Å; F79-I158 HydrophobicContact CE1-CG2 4.42Å; F79-I158 HydrophobicContact CZ-CD1 3.91Å
80D97.4Very high96.4Very high71 Ų7158.6 Ų58.638%0.3829%0.288SS..EExtended strand (participates in β ladder)trans-63.8133.9164.3-71.8-23.3000110.5K67 L98 E100K67-D80 WeakPolarHBondContact CE-OD1 3.46Å; K67-D80 WeakPolarHBondContact CG-OD1 3.4Å; K67-D80 IonicContact NZ-OD1 3.03Å; K67-D80 PolarHBondContact NZ-OD1 3.35Å; D80-L98 WeakPolarHBondContact O-CD2 3.41Å; D80-E100 WeakPolarHBondContact CB-OE1 3.49Å; D80-E100 PolarHBondContact N-OE1 2.81Å
81V98Very high96.4Very high2 Ų258.1 Ų58.11%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-122.7135.4175.762.90000109.7L55 F65 G66 I96 A97 L98 F137 L141L55-V81 HydrophobicContact CD2-CG1 3.92Å; F65-V81 CarbonylContact C-O 3.55Å; F65-V81 VanDerWaalsContact CA-O 3.26Å; F65-V81 WeakPolarHBondContact CA-O 3.45Å; G66-V81 PolarHBondContact N-O 3.07Å; G66-V81 PolarHBondContact O-N 2.85Å; V81-I96 HydrophobicContact CG2-CG2 3.56Å; V81-A97 WeakPolarHBondContact CA-O 3.26Å; V81-L98 HydrophobicContact CB-CD2 3.78Å; V81-L98 HydrophobicContact CG2-CD2 3.95Å; V81-F137 HydrophobicContact CG1-CZ 4.43Å; V81-F137 HydrophobicContact CG2-CZ 3.95Å; V81-L141 HydrophobicContact CG2-CD2 4.35Å
82E98.2Very high96.5Very high68 Ų6854.8 Ų54.832%0.31829%0.292SS..EExtended strand (participates in β ladder)trans-145.9153.6173.662.5173.6-175.300112.3R63 W64 F65 A97 P99R63-E82 IonicContact CZ-OE2 2.85Å; R63-E82 IonicContact NH2-OE2 2.7Å; R63-E82 PolarHBondContact NH2-OE2 3.15Å; W64-E82 VanDerWaalsContact O-CA 3.28Å; W64-E82 WeakPolarHBondContact O-CA 3.43Å; F65-E82 HydrophobicContact CB-CB 4.37Å; E82-A97 HydrophobicContact CG-CB 4.45Å; E82-A97 PolarHBondContact N-O 2.51Å; E82-A97 VanDerWaalsContact N-O 3.08Å; E82-A97 WeakPolarHBondContact O-CB 3.28Å; E82-A97 PolarHBondContact O-N 2.79Å; E82-P99 HydrophobicContact CG-CG 4.05Å
83F98.1Very high96.6Very high8 Ų853.7 Ų53.74%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-164.8152.5171.755.9-83.5000111.6L55 W64 I85 P94 E95 I96 I133 F137L55-F83 HydrophobicContact CD1-CE1 4.33Å; L55-F83 HydrophobicContact CD1-CZ 4.35Å; L55-F83 HydrophobicContact CD2-CE1 4Å; W64-F83 HydrophobicContact CB-CD1 4.13Å; W64-F83 HydrophobicContact CB-CD2 4.01Å; W64-F83 HydrophobicContact CB-CE1 3.63Å; W64-F83 HydrophobicContact CB-CE2 3.52Å; W64-F83 HydrophobicContact CB-CG 4.3Å; W64-F83 HydrophobicContact CB-CZ 3.3Å; W64-F83 AromaticContact CD1-CE2 3.76Å; W64-F83 HydrophobicContact CD2-CE2 4.4Å; W64-F83 HydrophobicContact CD2-CZ 4.18Å; W64-F83 HydrophobicContact CG-CD2 4.38Å; W64-F83 HydrophobicContact CG-CE1 4.42Å; W64-F83 AromaticContact CG-CE2 3.6Å; W64-F83 HydrophobicContact CG-CE2 3.6Å; W64-F83 AromaticContact CG-CZ 3.61Å; W64-F83 HydrophobicContact CG-CZ 3.61Å; W64-F83 PolarHBondContact N-O 2.8Å; W64-F83 PolarHBondContact O-N 3.09Å; F83-I85 HydrophobicContact CD2-CD1 4.23Å; F83-I85 HydrophobicContact CE2-CD1 3.9Å; F83-P94 HydrophobicContact CD2-CB 3.57Å; F83-P94 HydrophobicContact CD2-CG 4.22Å; F83-P94 HydrophobicContact CE2-CB 4.11Å; F83-P94 HydrophobicContact CE2-CG 4.31Å; F83-P94 HydrophobicContact CG-CB 4.27Å; F83-E95 WeakPolarHBondContact CB-O 3.33Å; F83-I96 HydrophobicContact CD1-CG1 4.35Å; F83-I133 HydrophobicContact CE2-CD1 4.26Å; F83-I133 HydrophobicContact CE2-CG1 4.38Å; F83-I133 HydrophobicContact CE2-CG2 4.23Å; F83-I133 HydrophobicContact CZ-CD1 4.42Å; F83-I133 HydrophobicContact CZ-CG2 3.63Å; F83-F137 HydrophobicContact CD1-CE2 4.35Å; F83-F137 AromaticContact CE1-CE2 3.56Å; F83-F137 HydrophobicContact CE1-CE2 3.56Å; F83-F137 AromaticContact CE1-CZ 3.86Å; F83-F137 HydrophobicContact CE1-CZ 3.86Å; F83-F137 HydrophobicContact CZ-CE2 4.06Å
84D97.7Very high96.8Very high102 Ų10247.2 Ų47.255%0.54526%0.259SS..EExtended strand (participates in β ladder)trans-97.7147.4168.8-63.3-43.4000110.5T62 R63 P86T62-D84 CarbonylContact O-C 3.58Å; T62-D84 WeakPolarHBondContact O-CA 3.3Å; R63-D84 WeakPolarHBondContact CB-OD1 3.46Å; R63-D84 VanDerWaalsContact CG-OD1 3.24Å; R63-D84 WeakPolarHBondContact CG-OD1 3.43Å; D84-P86 WeakPolarHBondContact O-CD 3.31Å
85I97.9Very high97Very high12 Ų1243.5 Ų43.56%0.06224%0.24CC..PPolyproline II helixtrans-77.6119.6171.3-59-58.6000108.5P21 W27 G61 T62 F83 Y89 I133P21-I85 HydrophobicContact CG-CB 4.06Å; P21-I85 HydrophobicContact CG-CG2 3.5Å; P21-I85 VanDerWaalsContact CG-CG2 3.5Å; W27-I85 HydrophobicContact CH2-CG1 4.31Å; W27-I85 HydrophobicContact CH2-CG2 3.83Å; W27-I85 HydrophobicContact CZ2-CG1 4.4Å; W27-I85 HydrophobicContact CZ2-CG2 4.3Å; G61-I85 WeakPolarHBondContact O-CG1 3.37Å; T62-I85 PolarHBondContact O-N 3.47Å; F83-I85 HydrophobicContact CD2-CD1 4.23Å; F83-I85 HydrophobicContact CE2-CD1 3.9Å; I85-Y89 VanDerWaalsContact CG2-CB 3.42Å; I85-Y89 HydrophobicContact CG2-CD1 3.84Å; I85-Y89 HydrophobicContact CG2-CD2 4.16Å; I85-Y89 HydrophobicContact CG2-CG 3.54Å; I85-I133 HydrophobicContact CD1-CD1 4.08Å; I85-I133 HydrophobicContact CD1-CG1 4.4Å
86P97.3Very high97.2Very high34 Ų3440.3 Ų40.322%0.22122%0.223CC..PPolyproline II helixtrans-65.3149.217825.6-31.4000110.5D84 T88 Y89 T92D84-P86 WeakPolarHBondContact O-CD 3.31Å; P86-T88 PolarHBondContact O-N 2.75Å; P86-T88 VanDerWaalsContact O-N 3.07Å; P86-Y89 HydrophobicContact CG-CD2 4.47Å; P86-Y89 WeakPolarHBondContact O-CB 3.4Å; P86-Y89 PolarHBondContact O-N 3.17Å; P86-T92 HydrophobicContact CG-CG2 4.32Å
87V96.5Very high97.3Very high77 Ų7737.4 Ų37.447%0.46721%0.212SC..THydrogen-bonded Turntrans-57.1-28.9177.1176.20000112.1R22 Y89R22-V87 HydrophobicContact CG-CG1 4.11Å; V87-Y89 VanDerWaalsContact C-N 3.31Å
88T97Very high97.3Very high81 Ų8136.8 Ų36.850%0.49721%0.21SC..THydrogen-bonded Turntrans-87.67.4178.455.60000113.6P86 A91 T92P86-T88 PolarHBondContact O-N 2.75Å; P86-T88 VanDerWaalsContact O-N 3.07Å; T88-A91 WeakPolarHBondContact O-CA 3.46Å; T88-A91 WeakPolarHBondContact O-CB 3.2Å; T88-A91 PolarHBondContact O-N 2.87Å; T88-T92 PolarHBondContact O-N 2.97Å; T88-T92 VanDerWaalsContact OG1-CB 3.23Å; T88-T92 WeakPolarHBondContact OG1-CB 3.09Å; T88-T92 PolarHBondContact OG1-OG1 2.92Å
89Y98.1Very high97.2Very high6 Ų637 Ų372%0.02422%0.216CC..THydrogen-bonded Turntrans-61143.5173.1-169.8-97.6000111G20 W27 R30 E34 I85 P86 V87 T92 W124 G132 I133G20-Y89 WeakPolarHBondContact CA-O 3.41Å; G20-Y89 PolarHBondContact N-O 2.8Å; W27-Y89 HydrophobicContact CH2-CD1 4.06Å; W27-Y89 HydrophobicContact CH2-CE1 4.27Å; W27-Y89 AromaticContact CZ3-CD1 3.76Å; W27-Y89 HydrophobicContact CZ3-CD1 3.76Å; W27-Y89 HydrophobicContact CZ3-CE1 4.07Å; R30-Y89 PolarHBondContact NH2-OH 3.18Å; E34-Y89 WeakPolarHBondContact OE1-CE1 3.23Å; E34-Y89 PolarHBondContact OE1-OH 3.43Å; I85-Y89 VanDerWaalsContact CG2-CB 3.42Å; I85-Y89 HydrophobicContact CG2-CD1 3.84Å; I85-Y89 HydrophobicContact CG2-CD2 4.16Å; I85-Y89 HydrophobicContact CG2-CG 3.54Å; P86-Y89 HydrophobicContact CG-CD2 4.47Å; P86-Y89 WeakPolarHBondContact O-CB 3.4Å; P86-Y89 PolarHBondContact O-N 3.17Å; V87-Y89 VanDerWaalsContact C-N 3.31Å; Y89-T92 WeakPolarHBondContact CD2-O 3.37Å; Y89-W124 HydrophobicContact CE2-CH2 4.18Å; Y89-W124 AromaticContact CE2-CZ2 3.89Å; Y89-W124 HydrophobicContact CE2-CZ2 3.89Å; Y89-G132 VanDerWaalsContact OH-CA 3.25Å; Y89-G132 WeakPolarHBondContact OH-CA 3.43Å; Y89-I133 PolarHBondContact OH-N 3.46Å
90P97.9Very high97.1Very high3 Ų340.8 Ų40.82%0.01923%0.233CC..THydrogen-bonded Turncis-85.66035.7-36.9000114.3K18 A19 T92 W124 V128 P129K18-P90 HydrophobicContact CG-CG 4.36Å; A19-P90 WeakPolarHBondContact O-CD 3.23Å; P90-T92 VanDerWaalsContact C-N 3.29Å; P90-T92 PolarHBondContact O-N 2.9Å; P90-W124 PolarHBondContact O-NE1 3.31Å; P90-V128 HydrophobicContact CG-CG1 4.31Å; P90-P129 HydrophobicContact CG-CB 3.89Å
91A97.1Very high96.9Very high58 Ų5837.4 Ų37.448%0.47922%0.215SC..THydrogen-bonded Turntrans-63.6-37.6179.200000111.9T88T88-A91 WeakPolarHBondContact O-CA 3.46Å; T88-A91 WeakPolarHBondContact O-CB 3.2Å; T88-A91 PolarHBondContact O-N 2.87Å
92T96.3Very high96.8Very high69 Ų6940.9 Ų40.942%0.42323%0.233SC..SBendtrans-103.4131.5171-52.60000110P86 T88 Y89 P90P86-T92 HydrophobicContact CG-CG2 4.32Å; T88-T92 PolarHBondContact O-N 2.97Å; T88-T92 VanDerWaalsContact OG1-CB 3.23Å; T88-T92 WeakPolarHBondContact OG1-CB 3.09Å; T88-T92 PolarHBondContact OG1-OG1 2.92Å; Y89-T92 WeakPolarHBondContact CD2-O 3.37Å; P90-T92 VanDerWaalsContact C-N 3.29Å; P90-T92 PolarHBondContact O-N 2.9Å
93A96.8Very high96.5Very high13 Ų1341.1 Ų41.111%0.10725%0.254CS..PPolyproline II helixtrans-67.4150172.700000111.4F120 W124A93-F120 HydrophobicContact CB-CE1 3.65Å; A93-F120 HydrophobicContact CB-CZ 4.15Å; A93-W124 HydrophobicContact CB-CD2 3.56Å; A93-W124 HydrophobicContact CB-CE3 3.91Å; A93-W124 HydrophobicContact CB-CG 3.98Å; A93-W124 HydrophobicContact CB-CH2 4.24Å; A93-W124 HydrophobicContact CB-CZ2 3.93Å; A93-W124 HydrophobicContact CB-CZ3 4.23Å
94P96.9Very high96.4Very high1 Ų144.4 Ų44.41%0.00627%0.268CS..PPolyproline II helixtrans-66.3148.6172.429.2-34.6000111F83 I96 A136F83-P94 HydrophobicContact CD2-CB 3.57Å; F83-P94 HydrophobicContact CD2-CG 4.22Å; F83-P94 HydrophobicContact CE2-CB 4.11Å; F83-P94 HydrophobicContact CE2-CG 4.31Å; F83-P94 HydrophobicContact CG-CB 4.27Å; P94-I96 PolarHBondContact O-N 3.45Å; P94-A136 HydrophobicContact CG-CB 4.24Å
95E96.2Very high96.2Very high108 Ų10840.5 Ų40.551%0.50525%0.248SC..  trans-92.897.2174.4-63.9-173.7130.400109.2F83 A97 K113F83-E95 WeakPolarHBondContact CB-O 3.33Å; E95-A97 PolarHBondContact O-N 2.63Å; E95-K113 HydrophobicContact CB-CD 4.1Å; E95-K113 HydrophobicContact CB-CG 4.5Å; E95-K113 IonicContact OE2-NZ 2.69Å; E95-K113 PolarHBondContact OE2-NZ 3.03Å
96I97.8Very high95.9Very high1 Ų144.6 Ų44.61%0.00528%0.284CS..  trans-68.6128.8-179.1-58171.6000109.7V81 F83 P94 K113 I114 A136 F137 L141V81-I96 HydrophobicContact CG2-CG2 3.56Å; F83-I96 HydrophobicContact CD1-CG1 4.35Å; P94-I96 PolarHBondContact O-N 3.45Å; I96-K113 WeakPolarHBondContact O-CA 3.38Å; I96-I114 HydrophobicContact CB-CD1 4Å; I96-I114 HydrophobicContact CB-CG1 4.22Å; I96-I114 HydrophobicContact CG2-CD1 4.28Å; I96-I114 PolarHBondContact O-N 2.68Å; I96-A136 HydrophobicContact CD1-CB 4.29Å; I96-F137 HydrophobicContact CD1-CD2 3.77Å; I96-F137 HydrophobicContact CD1-CE2 3.67Å; I96-F137 HydrophobicContact CG1-CE2 4.16Å; I96-L141 HydrophobicContact CD1-CB 3.99Å; I96-L141 HydrophobicContact CG2-CD1 4.23Å; I96-L141 HydrophobicContact CG2-CD2 4.22Å
97A97.7Very high95.6Very high8 Ų848.7 Ų48.77%0.06630%0.298CS..BIsolated β-bridgetrans-114.8141.6176.500000112.1V81 E82 E95 G112 K113V81-A97 WeakPolarHBondContact CA-O 3.26Å; E82-A97 HydrophobicContact CG-CB 4.45Å; E82-A97 PolarHBondContact N-O 2.51Å; E82-A97 VanDerWaalsContact N-O 3.08Å; E82-A97 WeakPolarHBondContact O-CB 3.28Å; E82-A97 PolarHBondContact O-N 2.79Å; E95-A97 PolarHBondContact O-N 2.63Å; A97-G112 CarbonylContact C-O 3.44Å; A97-G112 VanDerWaalsContact CA-O 3.26Å; A97-G112 WeakPolarHBondContact CA-O 3.35Å; A97-K113 HydrophobicContact CB-CG 4.19Å
98L97.5Very high95.4Very high0 Ų046 Ų460%028%0.281CS..  trans-120.484.2168.6-60.2177.7000107.7F79 D80 V81 E100 L101 M108 G112 I114 L141 W144 L145F79-L98 HydrophobicContact CB-CD2 4.27Å; D80-L98 WeakPolarHBondContact O-CD2 3.41Å; V81-L98 HydrophobicContact CB-CD2 3.78Å; V81-L98 HydrophobicContact CG2-CD2 3.95Å; L98-E100 PolarHBondContact O-N 3.3Å; L98-E100 VanDerWaalsContact O-N 3.14Å; L98-L101 HydrophobicContact CB-CB 4.29Å; L98-L101 HydrophobicContact CB-CD1 4.14Å; L98-L101 HydrophobicContact CB-CG 4.18Å; L98-L101 HydrophobicContact CD1-CD1 3.71Å; L98-L101 PolarHBondContact O-N 2.99Å; L98-M108 HydrophobicContact CB-CE 4.18Å; L98-G112 PolarHBondContact N-O 3.21Å; L98-I114 HydrophobicContact CD1-CG2 4.09Å; L98-I114 HydrophobicContact CG-CG2 4.15Å; L98-L141 HydrophobicContact CD1-CD1 3.94Å; L98-L141 HydrophobicContact CD2-CD1 4.37Å; L98-L141 HydrophobicContact CG-CD1 4.35Å; L98-W144 HydrophobicContact CD1-CE3 4.13Å; L98-W144 HydrophobicContact CD1-CH2 4.29Å; L98-W144 HydrophobicContact CD1-CZ3 3.63Å; L98-L145 HydrophobicContact CD1-CD2 3.96Å
99P95.2Very high95Very high52 Ų5247.9 Ų47.934%0.33828%0.283SS..G310 helixtrans-56.7-34.1-170.9-26.435.3000113.6E82 L101 D102E82-P99 HydrophobicContact CG-CG 4.05Å; P99-L101 PolarHBondContact O-N 2.7Å; P99-L101 VanDerWaalsContact O-N 3.14Å; P99-D102 WeakPolarHBondContact O-CB 3.25Å; P99-D102 PolarHBondContact O-N 3.33Å
100E92.9Very high94.5Very high82 Ų8259.1 Ų59.138%0.38333%0.325SS..G310 helixtrans-63.5-18.5178.8-63.4-178.9-135.300114.3D80 L98 K104D80-E100 WeakPolarHBondContact CB-OE1 3.49Å; D80-E100 PolarHBondContact N-OE1 2.81Å; L98-E100 PolarHBondContact O-N 3.3Å; L98-E100 VanDerWaalsContact O-N 3.14Å; E100-K104 VanDerWaalsContact O-CE 3.31Å; E100-K104 WeakPolarHBondContact O-CE 3.48Å; E100-K104 PolarHBondContact O-NZ 3.43Å
101L95.1Very high94.1Very high1 Ų161 Ų611%0.00535%0.345CS..G310 helixtrans-101.1-1.7-178.1-59.2-170.8000113.1F79 L98 P99 G103 K104 M108 W144 L152 I158F79-L101 HydrophobicContact CD1-CD1 4.37Å; F79-L101 HydrophobicContact CD1-CD2 3.91Å; F79-L101 HydrophobicContact CD1-CG 4.19Å; F79-L101 HydrophobicContact CE1-CD1 4.37Å; F79-L101 HydrophobicContact CE1-CD2 3.69Å; F79-L101 HydrophobicContact CE1-CG 4.35Å; F79-L101 HydrophobicContact CZ-CD2 4.4Å; L98-L101 HydrophobicContact CB-CB 4.29Å; L98-L101 HydrophobicContact CB-CD1 4.14Å; L98-L101 HydrophobicContact CB-CG 4.18Å; L98-L101 HydrophobicContact CD1-CD1 3.71Å; L98-L101 PolarHBondContact O-N 2.99Å; P99-L101 PolarHBondContact O-N 2.7Å; P99-L101 VanDerWaalsContact O-N 3.14Å; L101-G103 PolarHBondContact O-N 3.13Å; L101-K104 HydrophobicContact CD2-CD 4.4Å; L101-K104 WeakPolarHBondContact O-CB 3.4Å; L101-K104 PolarHBondContact O-N 3.07Å; L101-M108 HydrophobicContact CB-CE 3.65Å; L101-M108 HydrophobicContact CB-SD 3.92Å; L101-W144 HydrophobicContact CD1-CH2 3.74Å; L101-W144 HydrophobicContact CD1-CZ3 3.75Å; L101-L152 HydrophobicContact CD1-CD1 4.12Å; L101-L152 HydrophobicContact CD2-CD1 4.05Å; L101-I158 HydrophobicContact CD2-CG2 3.54Å
102D94.7Very high93.9Very high74 Ų7458.2 Ų58.240%0.39632%0.322SS..THydrogen-bonded Turntrans-57.5129.9-178.8-162.925000111P99 K104 G111 G112P99-D102 WeakPolarHBondContact O-CB 3.25Å; P99-D102 PolarHBondContact O-N 3.33Å; D102-K104 PolarHBondContact O-N 3.21Å; D102-G111 PolarHBondContact OD1-N 2.95Å; D102-G111 WeakPolarHBondContact OD2-CA 3.29Å; D102-G111 PolarHBondContact OD2-N 2.82Å; D102-G111 VanDerWaalsContact OD2-N 3.16Å; D102-G112 VanDerWaalsContact CG-N 3.27Å; D102-G112 PolarHBondContact OD1-N 2.69Å
103G93.1Very high93.8Very high73 Ų7358.7 Ų58.775%0.75332%0.318SS*.THydrogen-bonded Turntrans73.7-1.1-176.900000116.4L101L101-G103 PolarHBondContact O-N 3.13Å
104K94Very high93.8Very high77 Ų7758.5 Ų58.534%0.33532%0.315SS..THydrogen-bonded Turntrans-91.6-21.1179.7-61.1-178.9-178.5163.40113.9E100 L101 D102 L152 L157 I158E100-K104 VanDerWaalsContact O-CE 3.31Å; E100-K104 WeakPolarHBondContact O-CE 3.48Å; E100-K104 PolarHBondContact O-NZ 3.43Å; L101-K104 HydrophobicContact CD2-CD 4.4Å; L101-K104 WeakPolarHBondContact O-CB 3.4Å; L101-K104 PolarHBondContact O-N 3.07Å; D102-K104 PolarHBondContact O-N 3.21Å; K104-L152 HydrophobicContact CB-CD2 3.82Å; K104-L152 VanDerWaalsContact O-CD2 3.23Å; K104-L152 WeakPolarHBondContact O-CD2 3.19Å; K104-L157 HydrophobicContact CB-CB 4.43Å; K104-L157 HydrophobicContact CB-CD1 4.46Å; K104-L157 HydrophobicContact CD-CB 4.46Å; K104-L157 WeakPolarHBondContact CD-O 3.47Å; K104-L157 WeakPolarHBondContact CE-O 3.43Å; K104-L157 VanDerWaalsContact O-CD1 3.31Å; K104-L157 WeakPolarHBondContact O-CD1 3.45Å; K104-I158 HydrophobicContact CD-CG2 4.13Å
105T94.3Very high93.5Very high20 Ų2059.7 Ų59.712%0.12332%0.323CS..  trans-132.2149.3175.8172.70000111.5K107 M108 W144 E148T105-K107 PolarHBondContact O-N 3.24Å; T105-K107 PolarHBondContact OG1-N 3.32Å; T105-M108 HydrophobicContact CG2-CB 3.91Å; T105-M108 HydrophobicContact CG2-CE 4.44Å; T105-W144 HydrophobicContact CG2-CH2 3.96Å; T105-W144 HydrophobicContact CG2-CZ2 3.69Å; T105-E148 WeakPolarHBondContact CB-OE2 3.2Å; T105-E148 PolarHBondContact OG1-OE2 3.18Å
106A91.2Very high93.1Very high99 Ų9956.6 Ų56.682%0.81831%0.309SS*.SBendtrans-72.8-15.5171.700000113M108A106-M108 PolarHBondContact O-N 2.93Å
107K92.4Very high92.6Very high119 Ų11959.9 Ų59.952%0.51733%0.332SS..SBendtrans-89.638177.4-63.4-60.4-169.91770112.2T105 C115 W144 E148T105-K107 PolarHBondContact O-N 3.24Å; T105-K107 PolarHBondContact OG1-N 3.32Å; K107-C115 VanDerWaalsContact C-CB 3.5Å; K107-C115 HydrophobicContact CB-CB 4.4Å; K107-C115 VanDerWaalsContact O-CB 3.25Å; K107-C115 WeakPolarHBondContact O-CB 3.43Å; K107-C115 PolarHBondContact O-N 3.17Å; K107-W144 PolarHBondContact O-NE1 2.79Å; K107-E148 HydrophobicContact CB-CG 4.36Å; K107-E148 VanDerWaalsContact CG-OE1 3.27Å; K107-E148 WeakPolarHBondContact CG-OE1 3.22Å
108M91.3Very high92.1Very high21 Ų2166.6 Ų66.610%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-142.2136.2178.4-171.1162.4-82.600109.8L98 L101 T105 A106 G112 K113 I114 C115 W144L98-M108 HydrophobicContact CB-CE 4.18Å; L101-M108 HydrophobicContact CB-CE 3.65Å; L101-M108 HydrophobicContact CB-SD 3.92Å; T105-M108 HydrophobicContact CG2-CB 3.91Å; T105-M108 HydrophobicContact CG2-CE 4.44Å; A106-M108 PolarHBondContact O-N 2.93Å; M108-G112 WeakPolarHBondContact CE-O 3.32Å; M108-G112 VanDerWaalsContact SD-CA 3.55Å; M108-K113 CarbonylContact C-O 3.53Å; M108-K113 WeakPolarHBondContact CA-O 3.3Å; M108-K113 WeakPolarHBondContact CG-O 3.48Å; M108-I114 HydrophobicContact CE-CG2 4Å; M108-C115 VanDerWaalsContact C-SG 3.51Å; M108-C115 VanDerWaalsContact CA-SG 3.58Å; M108-C115 PolarHBondContact N-SG 3.26Å; M108-C115 VanDerWaalsContact N-SG 3.38Å; M108-W144 HydrophobicContact CE-CH2 3.52Å; M108-W144 HydrophobicContact CE-CZ2 3.57Å
109F89.9Confident91.6Very high120 Ų12074 Ų7453%0.52640%0.402SS..EExtended strand (participates in β ladder)trans-83.5160.5169.1-59.8-69.7000109.9G111 G112 K113 C115F109-G111 PolarHBondContact O-N 2.93Å; F109-G112 PolarHBondContact O-N 3.27Å; F109-K113 HydrophobicContact CB-CB 4.22Å; F109-K113 PolarHBondContact N-O 3Å; F109-K113 PolarHBondContact O-N 3.49Å; F109-C115 WeakPolarHBondContact CD2-SG 3.36Å; F109-C115 HydrophobicContact CE2-CB 4.13Å; F109-C115 WeakPolarHBondContact CE2-SG 3.34Å; F109-C115 HydrophobicContact CZ-CB 4.43Å; F109-C115 VanDerWaalsContact CZ-SG 3.56Å
110R86.7Confident91.6Very high242 Ų24271.9 Ų71.991%0.91339%0.387SS*.THydrogen-bonded Turntrans-49.7133.5178.3-173.9178.1179.9-179.50.1111.6
111G88.8Confident91.5Very high43 Ų4375.7 Ų75.744%0.44340%0.402SS..THydrogen-bonded Turntrans86.224.6-178.600000113.4D102 F109 K113D102-G111 PolarHBondContact OD1-N 2.95Å; D102-G111 WeakPolarHBondContact OD2-CA 3.29Å; D102-G111 PolarHBondContact OD2-N 2.82Å; D102-G111 VanDerWaalsContact OD2-N 3.16Å; F109-G111 PolarHBondContact O-N 2.93Å; G111-K113 VanDerWaalsContact C-N 3.33Å; G111-K113 PolarHBondContact O-N 3.32Å
112G93.1Very high91.5Very high0 Ų078.6 Ų78.60%042%0.422CS..THydrogen-bonded Turntrans80.83.5171.800000115.6A97 L98 D102 M108 F109 I114A97-G112 CarbonylContact C-O 3.44Å; A97-G112 VanDerWaalsContact CA-O 3.26Å; A97-G112 WeakPolarHBondContact CA-O 3.35Å; L98-G112 PolarHBondContact N-O 3.21Å; D102-G112 VanDerWaalsContact CG-N 3.27Å; D102-G112 PolarHBondContact OD1-N 2.69Å; M108-G112 WeakPolarHBondContact CE-O 3.32Å; M108-G112 VanDerWaalsContact SD-CA 3.55Å; F109-G112 PolarHBondContact O-N 3.27Å; G112-I114 PolarHBondContact O-N 3.47Å
113K95.5Very high91.5Very high78 Ų7877.4 Ų77.434%0.33942%0.415SS..EExtended strand (participates in β ladder)trans-73.2123.4-175.8-68178.3178.2-172.40111.1E95 I96 A97 M108 F109 G111 C115E95-K113 HydrophobicContact CB-CD 4.1Å; E95-K113 HydrophobicContact CB-CG 4.5Å; E95-K113 IonicContact OE2-NZ 2.69Å; E95-K113 PolarHBondContact OE2-NZ 3.03Å; I96-K113 WeakPolarHBondContact O-CA 3.38Å; A97-K113 HydrophobicContact CB-CG 4.19Å; M108-K113 CarbonylContact C-O 3.53Å; M108-K113 WeakPolarHBondContact CA-O 3.3Å; M108-K113 WeakPolarHBondContact CG-O 3.48Å; F109-K113 HydrophobicContact CB-CB 4.22Å; F109-K113 PolarHBondContact N-O 3Å; F109-K113 PolarHBondContact O-N 3.49Å; G111-K113 VanDerWaalsContact C-N 3.33Å; G111-K113 PolarHBondContact O-N 3.32Å; K113-C115 PolarHBondContact O-N 2.85Å
114I95.8Very high91.7Very high9 Ų974.3 Ų74.35%0.04638%0.38CS..EExtended strand (participates in β ladder)trans-66.9135.7-177.269.4178.1000111.3I96 L98 M108 G112 M116 L141 W144I96-I114 HydrophobicContact CB-CD1 4Å; I96-I114 HydrophobicContact CB-CG1 4.22Å; I96-I114 HydrophobicContact CG2-CD1 4.28Å; I96-I114 PolarHBondContact O-N 2.68Å; L98-I114 HydrophobicContact CD1-CG2 4.09Å; L98-I114 HydrophobicContact CG-CG2 4.15Å; M108-I114 HydrophobicContact CE-CG2 4Å; G112-I114 PolarHBondContact O-N 3.47Å; I114-M116 HydrophobicContact CD1-CG 4.3Å; I114-M116 HydrophobicContact CG1-CG 4.14Å; I114-M116 PolarHBondContact O-N 3.21Å; I114-M116 VanDerWaalsContact O-N 3.12Å; I114-L141 HydrophobicContact CD1-CB 4.19Å; I114-L141 HydrophobicContact CD1-CD1 3.95Å; I114-W144 HydrophobicContact CB-CD2 4.03Å; I114-W144 HydrophobicContact CB-CG 4.11Å; I114-W144 HydrophobicContact CB-CZ2 4.39Å; I114-W144 HydrophobicContact CD1-CB 4.34Å; I114-W144 HydrophobicContact CD1-CG 4.33Å; I114-W144 HydrophobicContact CG2-CD2 3.87Å; I114-W144 HydrophobicContact CG2-CE3 4.11Å; I114-W144 HydrophobicContact CG2-CG 4.4Å; I114-W144 HydrophobicContact CG2-CH2 4.31Å; I114-W144 HydrophobicContact CG2-CZ2 4.02Å; I114-W144 HydrophobicContact CG2-CZ3 4.34Å
115C91.5Very high91.8Very high26 Ų2673.8 Ų73.818%0.17639%0.391CS..  trans-79.194.2170.6-65.90000109.4K107 M108 F109 K113K107-C115 VanDerWaalsContact C-CB 3.5Å; K107-C115 HydrophobicContact CB-CB 4.4Å; K107-C115 VanDerWaalsContact O-CB 3.25Å; K107-C115 WeakPolarHBondContact O-CB 3.43Å; K107-C115 PolarHBondContact O-N 3.17Å; M108-C115 VanDerWaalsContact C-SG 3.51Å; M108-C115 VanDerWaalsContact CA-SG 3.58Å; M108-C115 PolarHBondContact N-SG 3.26Å; M108-C115 VanDerWaalsContact N-SG 3.38Å; F109-C115 WeakPolarHBondContact CD2-SG 3.36Å; F109-C115 HydrophobicContact CE2-CB 4.13Å; F109-C115 WeakPolarHBondContact CE2-SG 3.34Å; F109-C115 HydrophobicContact CZ-CB 4.43Å; F109-C115 VanDerWaalsContact CZ-SG 3.56Å; K113-C115 PolarHBondContact O-N 2.85Å
116M87.7Confident91.9Very high43 Ų4382.9 Ų82.921%0.21242%0.422CS..  trans-62.1151.2173-63.6-170.1-74.200111.4I114 F120I114-M116 HydrophobicContact CD1-CG 4.3Å; I114-M116 HydrophobicContact CG1-CG 4.14Å; I114-M116 PolarHBondContact O-N 3.21Å; I114-M116 VanDerWaalsContact O-N 3.12Å; M116-F120 HydrophobicContact CB-CB 4.07Å; M116-F120 HydrophobicContact CB-CD1 4.24Å; M116-F120 HydrophobicContact CB-CG 4.12Å; M116-F120 HydrophobicContact CE-CD1 3.49Å; M116-F120 VanDerWaalsContact CE-CD1 3.49Å; M116-F120 HydrophobicContact CE-CE1 3.3Å; M116-F120 HydrophobicContact CE-CG 4.36Å; M116-F120 HydrophobicContact CE-CZ 4.04Å; M116-F120 HydrophobicContact CG-CD1 4.5Å; M116-F120 HydrophobicContact SD-CD1 3.44Å; M116-F120 WeakPolarHBondContact SD-CD1 3.1Å; M116-F120 HydrophobicContact SD-CD2 3.93Å; M116-F120 HydrophobicContact SD-CE1 3.31Å; M116-F120 WeakPolarHBondContact SD-CE1 3.24Å; M116-F120 HydrophobicContact SD-CE2 3.8Å; M116-F120 HydrophobicContact SD-CG 3.76Å; M116-F120 HydrophobicContact SD-CZ 3.49Å; M116-F120 WeakPolarHBondContact SD-CZ 3.35Å
117S86.4Confident92.1Very high70 Ų7080.1 Ų80.149%0.4939%0.394SS..  trans-60.5152.5179.272.80000112.7H119 F120S117-H119 PolarHBondContact O-N 3Å; S117-H119 VanDerWaalsContact O-N 3.07Å; S117-F120 VanDerWaalsContact O-CB 3.22Å; S117-F120 WeakPolarHBondContact O-CB 3.44Å; S117-F120 PolarHBondContact O-N 3.49Å
118D87Confident92.3Very high149 Ų14976.3 Ų76.380%0.79738%0.381SS*.THydrogen-bonded Turntrans-59.1-24.6177.6-61.8-31.8000112.9F120 P122D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 2.9Å; D118-P122 WeakPolarHBondContact O-CD 3.02Å
119H88.4Confident92.6Very high156 Ų15676.6 Ų76.672%0.72238%0.384SS*.THydrogen-bonded Turntrans-73.7-19.7176-61.495.4000113.4S117 L123S117-H119 PolarHBondContact O-N 3Å; S117-H119 VanDerWaalsContact O-N 3.07Å; H119-L123 WeakPolarHBondContact O-CB 3.42Å; H119-L123 PolarHBondContact O-N 3.21Å
120F93.1Very high93Very high8 Ų876 Ų764%0.03538%0.381CS..Hα-helixtrans-68.6-49.1-175.6-178.8-88.9000111.9A93 M116 S117 D118 L123 W124 L139A93-F120 HydrophobicContact CB-CE1 3.65Å; A93-F120 HydrophobicContact CB-CZ 4.15Å; M116-F120 HydrophobicContact CB-CB 4.07Å; M116-F120 HydrophobicContact CB-CD1 4.24Å; M116-F120 HydrophobicContact CB-CG 4.12Å; M116-F120 HydrophobicContact CE-CD1 3.49Å; M116-F120 VanDerWaalsContact CE-CD1 3.49Å; M116-F120 HydrophobicContact CE-CE1 3.3Å; M116-F120 HydrophobicContact CE-CG 4.36Å; M116-F120 HydrophobicContact CE-CZ 4.04Å; M116-F120 HydrophobicContact CG-CD1 4.5Å; M116-F120 HydrophobicContact SD-CD1 3.44Å; M116-F120 WeakPolarHBondContact SD-CD1 3.1Å; M116-F120 HydrophobicContact SD-CD2 3.93Å; M116-F120 HydrophobicContact SD-CE1 3.31Å; M116-F120 WeakPolarHBondContact SD-CE1 3.24Å; M116-F120 HydrophobicContact SD-CE2 3.8Å; M116-F120 HydrophobicContact SD-CG 3.76Å; M116-F120 HydrophobicContact SD-CZ 3.49Å; M116-F120 WeakPolarHBondContact SD-CZ 3.35Å; S117-F120 VanDerWaalsContact O-CB 3.22Å; S117-F120 WeakPolarHBondContact O-CB 3.44Å; S117-F120 PolarHBondContact O-N 3.49Å; D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 2.9Å; F120-L123 PolarHBondContact O-N 3.07Å; F120-W124 HydrophobicContact CE1-CB 4.22Å; F120-W124 HydrophobicContact CE1-CD2 4.45Å; F120-W124 HydrophobicContact CE1-CE3 4.11Å; F120-W124 HydrophobicContact CE2-CE3 4.48Å; F120-W124 HydrophobicContact CZ-CD2 4.41Å; F120-W124 AromaticContact CZ-CE3 3.65Å; F120-W124 HydrophobicContact CZ-CE3 3.65Å; F120-W124 HydrophobicContact CZ-CZ3 4.22Å; F120-W124 WeakPolarHBondContact O-CB 3.32Å; F120-W124 PolarHBondContact O-N 2.85Å; F120-L139 HydrophobicContact CD2-CB 4.14Å; F120-L139 HydrophobicContact CE2-CB 3.9Å
121K92.4Very high93.5Very high161 Ų16165.1 Ų65.170%0.734%0.341SS*.Hα-helixtrans-61-48-175.3-65.5-179.7179.6178.30112.8L123 W124 A125K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 2.9Å; K121-W124 PolarHBondContact O-N 2.96Å; K121-A125 WeakPolarHBondContact O-CB 3.4Å; K121-A125 PolarHBondContact O-N 3.36Å
122P95.1Very high93.9Very high63 Ų6363.1 Ų63.141%0.40932%0.32SS..Hα-helixtrans-63.5-36.4176.4-22.634.6000112.8D118 R126D118-P122 WeakPolarHBondContact O-CD 3.02Å; P122-R126 VanDerWaalsContact O-CG 3.32Å; P122-R126 WeakPolarHBondContact O-CG 3.48Å; P122-R126 PolarHBondContact O-N 2.87Å
123L94.5Very high94.2Very high48 Ų4863.1 Ų63.125%0.25132%0.32SS..Hα-helixtrans-67.2-44.6178-179.867.1000111.6M1 H119 F120 K121 R126 N127 F131 L139M1-L123 HydrophobicContact CE-CD2 3.17Å; M1-L123 HydrophobicContact SD-CD2 4.22Å; H119-L123 WeakPolarHBondContact O-CB 3.42Å; H119-L123 PolarHBondContact O-N 3.21Å; F120-L123 PolarHBondContact O-N 3.07Å; K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 2.9Å; L123-R126 PolarHBondContact O-N 2.77Å; L123-N127 PolarHBondContact O-N 3.31Å; L123-N127 PolarHBondContact O-ND2 2.8Å; L123-F131 HydrophobicContact CD2-CE2 4.42Å; L123-F131 HydrophobicContact CG-CE2 4.08Å; L123-L139 HydrophobicContact CD2-CD1 4.04Å
124W96.1Very high94.3Very high9 Ų959.4 Ų59.43%0.03430%0.304CS..Hα-helixtrans-57.6-52.8175-176.3-85.7000110.6Y89 P90 A93 F120 K121 R126 N127 V128 F131 A136Y89-W124 HydrophobicContact CE2-CH2 4.18Å; Y89-W124 AromaticContact CE2-CZ2 3.89Å; Y89-W124 HydrophobicContact CE2-CZ2 3.89Å; P90-W124 PolarHBondContact O-NE1 3.31Å; A93-W124 HydrophobicContact CB-CD2 3.56Å; A93-W124 HydrophobicContact CB-CE3 3.91Å; A93-W124 HydrophobicContact CB-CG 3.98Å; A93-W124 HydrophobicContact CB-CH2 4.24Å; A93-W124 HydrophobicContact CB-CZ2 3.93Å; A93-W124 HydrophobicContact CB-CZ3 4.23Å; F120-W124 HydrophobicContact CE1-CB 4.22Å; F120-W124 HydrophobicContact CE1-CD2 4.45Å; F120-W124 HydrophobicContact CE1-CE3 4.11Å; F120-W124 HydrophobicContact CE2-CE3 4.48Å; F120-W124 HydrophobicContact CZ-CD2 4.41Å; F120-W124 AromaticContact CZ-CE3 3.65Å; F120-W124 HydrophobicContact CZ-CE3 3.65Å; F120-W124 HydrophobicContact CZ-CZ3 4.22Å; F120-W124 WeakPolarHBondContact O-CB 3.32Å; F120-W124 PolarHBondContact O-N 2.85Å; K121-W124 PolarHBondContact O-N 2.96Å; W124-R126 VanDerWaalsContact C-N 3.28Å; W124-R126 PolarHBondContact O-N 2.77Å; W124-N127 CarbonylContact O-C 3.53Å; W124-N127 PolarHBondContact O-N 3.34Å; W124-V128 WeakPolarHBondContact O-CG2 3.36Å; W124-V128 PolarHBondContact O-N 2.74Å; W124-F131 HydrophobicContact CE3-CB 4.09Å; W124-F131 HydrophobicContact CE3-CD2 4.15Å; W124-F131 HydrophobicContact CH2-CB 4.24Å; W124-F131 HydrophobicContact CZ3-CB 3.93Å; W124-A136 HydrophobicContact CH2-CB 4.39Å; W124-A136 HydrophobicContact CZ3-CB 3.91Å
125A95.9Very high94.3Very high66 Ų6659.1 Ų59.155%0.54530%0.302SS..Hα-helixtrans-55.8-40.1-177.500000113.1K121 N127K121-A125 WeakPolarHBondContact O-CB 3.4Å; K121-A125 PolarHBondContact O-N 3.36Å; A125-N127 PolarHBondContact O-N 2.83Å
126R96.4Very high94.6Very high210 Ų21057.9 Ų57.979%0.79229%0.294SS*.Hα-helixtrans-70.2-18.7178-70.8174.4-173.2176.92.9114.1P122 L123 W124P122-R126 VanDerWaalsContact O-CG 3.32Å; P122-R126 WeakPolarHBondContact O-CG 3.48Å; P122-R126 PolarHBondContact O-N 2.87Å; L123-R126 PolarHBondContact O-N 2.77Å; W124-R126 VanDerWaalsContact C-N 3.28Å; W124-R126 PolarHBondContact O-N 2.77Å
127N96.7Very high95Very high41 Ų4155.9 Ų55.922%0.21928%0.284CS..THydrogen-bonded Turntrans-110.69.5-176-72.3-79.8000113.2L123 W124 A125 P129 K130 F131L123-N127 PolarHBondContact O-N 3.31Å; L123-N127 PolarHBondContact O-ND2 2.8Å; W124-N127 CarbonylContact O-C 3.53Å; W124-N127 PolarHBondContact O-N 3.34Å; A125-N127 PolarHBondContact O-N 2.83Å; N127-P129 CarbonylContact O-C 3.55Å; N127-K130 VanDerWaalsContact O-CA 3.3Å; N127-K130 WeakPolarHBondContact O-CA 3.48Å; N127-K130 WeakPolarHBondContact O-CB 3.45Å; N127-K130 PolarHBondContact O-N 3.01Å; N127-F131 HydrophobicContact CB-CB 4.46Å; N127-F131 HydrophobicContact CB-CD1 3.63Å; N127-F131 HydrophobicContact CB-CD2 3.61Å; N127-F131 HydrophobicContact CB-CE1 3.62Å; N127-F131 HydrophobicContact CB-CE2 3.62Å; N127-F131 HydrophobicContact CB-CG 3.61Å; N127-F131 HydrophobicContact CB-CZ 3.62Å; N127-F131 PolarHBondContact O-N 3.35Å
128V96.8Very high95.4Very high39 Ų3952.9 Ų52.924%0.23626%0.263CS..THydrogen-bonded Turntrans-67.3132.3172.1179.70000109.8P90 W124P90-V128 HydrophobicContact CG-CG1 4.31Å; W124-V128 WeakPolarHBondContact O-CG2 3.36Å; W124-V128 PolarHBondContact O-N 2.74Å
129P97.2Very high95.8Very high27 Ų2746.3 Ų46.318%0.17523%0.228CC..THydrogen-bonded Turncis-96.210.21.640.9-39.5000114.5K18 R30 P90 N127 F131K18-P129 HydrophobicContact CB-CB 3.74Å; K18-P129 HydrophobicContact CB-CG 3.95Å; K18-P129 HydrophobicContact CG-CB 4.01Å; R30-P129 PolarHBondContact NH1-O 2.84Å; P90-P129 HydrophobicContact CG-CB 3.89Å; N127-P129 CarbonylContact O-C 3.55Å; P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.91Å
130K97.6Very high96.1Very high108 Ų10839.1 Ų39.147%0.4720%0.196SC..THydrogen-bonded Turntrans-61.4-33.2-172.4-54.9177.8-177.6175.40113.6I14 L15 N127I14-K130 HydrophobicContact CB-CB 4.32Å; L15-K130 PolarHBondContact N-O 2.8Å; L15-K130 WeakPolarHBondContact O-CA 3.27Å; N127-K130 VanDerWaalsContact O-CA 3.3Å; N127-K130 WeakPolarHBondContact O-CA 3.48Å; N127-K130 WeakPolarHBondContact O-CB 3.45Å; N127-K130 PolarHBondContact O-N 3.01Å
131F97.7Very high96.2Very high14 Ų1438.7 Ų38.76%0.06119%0.194CC..  trans-83.3149.4176.2-73.23.1000111.7R30 L123 W124 N127 P129 H135 L139R30-F131 PolarHBondContact NH2-O 3.23Å; L123-F131 HydrophobicContact CD2-CE2 4.42Å; L123-F131 HydrophobicContact CG-CE2 4.08Å; W124-F131 HydrophobicContact CE3-CB 4.09Å; W124-F131 HydrophobicContact CE3-CD2 4.15Å; W124-F131 HydrophobicContact CH2-CB 4.24Å; W124-F131 HydrophobicContact CZ3-CB 3.93Å; N127-F131 HydrophobicContact CB-CB 4.46Å; N127-F131 HydrophobicContact CB-CD1 3.63Å; N127-F131 HydrophobicContact CB-CD2 3.61Å; N127-F131 HydrophobicContact CB-CE1 3.62Å; N127-F131 HydrophobicContact CB-CE2 3.62Å; N127-F131 HydrophobicContact CB-CG 3.61Å; N127-F131 HydrophobicContact CB-CZ 3.62Å; N127-F131 PolarHBondContact O-N 3.35Å; P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.91Å; F131-H135 HydrophobicContact CB-CB 3.94Å; F131-H135 HydrophobicContact CD1-CB 4.26Å; F131-H135 AromaticContact CD1-CD2 3.43Å; F131-H135 VanDerWaalsContact CD1-CD2 3.43Å; F131-H135 WeakPolarHBondContact CD1-CD2 3.42Å; F131-H135 AromaticContact CD1-CG 3.84Å; F131-H135 AromaticContact CD1-NE2 3.84Å; F131-H135 HydrophobicContact CD2-CB 4.3Å; F131-H135 AromaticContact CE1-CD2 3.75Å; F131-H135 HydrophobicContact CG-CB 3.93Å; F131-H135 AromaticContact CG-CG 3.98Å; F131-L139 HydrophobicContact CD2-CD1 4.15Å; F131-L139 HydrophobicContact CE2-CD1 3.55Å; F131-L139 HydrophobicContact CZ-CD1 4.02Å
132G97.8Very high96.3Very high0 Ų032 Ų320%017%0.171CC..  trans-142.7-163.4-179.100000112E34 Y89 A134 H135 A136E34-G132 WeakPolarHBondContact OE1-CA 3.47Å; E34-G132 WeakPolarHBondContact OE2-CA 3.5Å; Y89-G132 VanDerWaalsContact OH-CA 3.25Å; Y89-G132 WeakPolarHBondContact OH-CA 3.43Å; G132-A134 PolarHBondContact O-N 3.13Å; G132-H135 PolarHBondContact N-ND1 3.23Å; G132-H135 VanDerWaalsContact N-ND1 3.13Å; G132-H135 WeakPolarHBondContact O-CB 3.41Å; G132-H135 PolarHBondContact O-N 3.39Å; G132-A136 PolarHBondContact O-N 3.48Å
133I98.2Very high96.3Very high1 Ų131.5 Ų31.51%0.00517%0.168CC..Hα-helixtrans-61.6-44.9-176.1-60.2172.1000111.1E34 L38 L55 W64 F83 I85 Y89 H135 A136 F137E34-I133 HydrophobicContact CB-CD1 4.46Å; E34-I133 HydrophobicContact CG-CD1 4.45Å; E34-I133 PolarHBondContact OE2-N 2.92Å; L38-I133 HydrophobicContact CD1-CB 4.32Å; L38-I133 HydrophobicContact CD1-CG2 4.22Å; L38-I133 HydrophobicContact CD2-CB 4.38Å; L38-I133 HydrophobicContact CD2-CG2 4.02Å; L55-I133 HydrophobicContact CD1-CG2 3.99Å; W64-I133 HydrophobicContact CD2-CD1 3.8Å; W64-I133 HydrophobicContact CE3-CD1 4.28Å; W64-I133 HydrophobicContact CG-CD1 4.38Å; W64-I133 HydrophobicContact CH2-CD1 3.94Å; W64-I133 HydrophobicContact CZ2-CD1 3.41Å; W64-I133 VanDerWaalsContact CZ2-CD1 3.41Å; W64-I133 HydrophobicContact CZ3-CD1 4.35Å; F83-I133 HydrophobicContact CE2-CD1 4.26Å; F83-I133 HydrophobicContact CE2-CG1 4.38Å; F83-I133 HydrophobicContact CE2-CG2 4.23Å; F83-I133 HydrophobicContact CZ-CD1 4.42Å; F83-I133 HydrophobicContact CZ-CG2 3.63Å; I85-I133 HydrophobicContact CD1-CD1 4.08Å; I85-I133 HydrophobicContact CD1-CG1 4.4Å; Y89-I133 PolarHBondContact OH-N 3.46Å; I133-H135 PolarHBondContact O-N 2.89Å; I133-A136 WeakPolarHBondContact O-CB 3.42Å; I133-A136 PolarHBondContact O-N 3.3Å; I133-F137 HydrophobicContact CG2-CD2 4.1Å; I133-F137 HydrophobicContact CG2-CE2 4.23Å; I133-F137 PolarHBondContact O-N 3.4Å
134A97.6Very high96.3Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-55.5-37176.400000112.2L12 A37 L38 Y41 G132 F137 A138L12-A134 HydrophobicContact CD1-CB 4.34Å; L12-A134 HydrophobicContact CD2-CB 4.26Å; A37-A134 HydrophobicContact CB-CB 4.18Å; L38-A134 HydrophobicContact CD2-CB 4.03Å; L38-A134 HydrophobicContact CG-CB 4.4Å; Y41-A134 HydrophobicContact CD1-CB 4.1Å; G132-A134 PolarHBondContact O-N 3.13Å; A134-F137 PolarHBondContact O-N 2.88Å; A134-A138 WeakPolarHBondContact O-CB 3.46Å; A134-A138 PolarHBondContact O-N 2.91Å
135H97.2Very high96.3Very high2 Ų229.7 Ų29.71%0.00916%0.158CC..Hα-helixtrans-73.2-39.6177.1-57.783.3000111.6P13 F131 G132 I133 F137 A138 L139P13-H135 PolarHBondContact O-CE1 3.16Å; P13-H135 VanDerWaalsContact O-CE1 3.24Å; F131-H135 HydrophobicContact CB-CB 3.94Å; F131-H135 HydrophobicContact CD1-CB 4.26Å; F131-H135 AromaticContact CD1-CD2 3.43Å; F131-H135 VanDerWaalsContact CD1-CD2 3.43Å; F131-H135 WeakPolarHBondContact CD1-CD2 3.42Å; F131-H135 AromaticContact CD1-CG 3.84Å; F131-H135 AromaticContact CD1-NE2 3.84Å; F131-H135 HydrophobicContact CD2-CB 4.3Å; F131-H135 AromaticContact CE1-CD2 3.75Å; F131-H135 HydrophobicContact CG-CB 3.93Å; F131-H135 AromaticContact CG-CG 3.98Å; G132-H135 PolarHBondContact N-ND1 3.23Å; G132-H135 VanDerWaalsContact N-ND1 3.13Å; G132-H135 WeakPolarHBondContact O-CB 3.41Å; G132-H135 PolarHBondContact O-N 3.39Å; I133-H135 PolarHBondContact O-N 2.89Å; H135-F137 VanDerWaalsContact C-N 3.26Å; H135-F137 PolarHBondContact O-N 2.84Å; H135-A138 PolarHBondContact O-N 2.94Å; H135-L139 HydrophobicContact CB-CD1 4.47Å; H135-L139 WeakPolarHBondContact O-CB 3.46Å; H135-L139 WeakPolarHBondContact O-CG 3.22Å; H135-L139 PolarHBondContact O-N 2.74Å
136A96.8Very high96.2Very high1 Ų128.7 Ų28.71%0.00815%0.15CC..Hα-helixtrans-60.2-38.3174.100000111.5P94 I96 W124 G132 I133 G140 L141P94-A136 HydrophobicContact CG-CB 4.24Å; I96-A136 HydrophobicContact CD1-CB 4.29Å; W124-A136 HydrophobicContact CH2-CB 4.39Å; W124-A136 HydrophobicContact CZ3-CB 3.91Å; G132-A136 PolarHBondContact O-N 3.48Å; I133-A136 WeakPolarHBondContact O-CB 3.42Å; I133-A136 PolarHBondContact O-N 3.3Å; A136-G140 WeakPolarHBondContact O-CA 3.4Å; A136-G140 PolarHBondContact O-N 2.89Å; A136-L141 PolarHBondContact O-N 2.93Å
137F96.8Very high96.1Very high1 Ų123.3 Ų23.30%0.00414%0.14CC..Iπ-helixtrans-68.3-51175.5-89.6-122.3000111.7Y41 W52 F53 L55 V81 F83 I96 I133 A134 H135 L139 L141 G142Y41-F137 HydrophobicContact CE1-CB 4.34Å; W52-F137 HydrophobicContact CH2-CB 3.91Å; W52-F137 AromaticContact CH2-CD1 3.69Å; W52-F137 HydrophobicContact CH2-CD1 3.69Å; W52-F137 HydrophobicContact CH2-CG 4.21Å; W52-F137 HydrophobicContact CZ2-CB 4.09Å; W52-F137 HydrophobicContact CZ2-CD1 4.34Å; W52-F137 HydrophobicContact CZ3-CD1 4.2Å; F53-F137 HydrophobicContact CB-CD1 4.38Å; F53-F137 HydrophobicContact CB-CE1 4.31Å; F53-F137 HydrophobicContact CD1-CD1 4.2Å; F53-F137 AromaticContact CD2-CD1 3.71Å; F53-F137 HydrophobicContact CD2-CD1 3.71Å; F53-F137 AromaticContact CD2-CE1 3.87Å; F53-F137 HydrophobicContact CD2-CE1 3.87Å; F53-F137 HydrophobicContact CE1-CD1 4.45Å; F53-F137 AromaticContact CE2-CD1 3.99Å; F53-F137 HydrophobicContact CE2-CD1 3.99Å; F53-F137 HydrophobicContact CE2-CE1 4.46Å; F53-F137 AromaticContact CG-CD1 3.82Å; F53-F137 HydrophobicContact CG-CD1 3.82Å; F53-F137 HydrophobicContact CG-CE1 4.12Å; F53-F137 HydrophobicContact CZ-CD1 4.36Å; L55-F137 HydrophobicContact CD1-CD1 4.27Å; L55-F137 HydrophobicContact CD1-CD2 4.33Å; L55-F137 HydrophobicContact CD1-CE1 3.73Å; L55-F137 HydrophobicContact CD1-CE2 3.82Å; L55-F137 HydrophobicContact CD1-CZ 3.52Å; L55-F137 HydrophobicContact CD2-CE1 4.28Å; L55-F137 HydrophobicContact CD2-CZ 3.86Å; L55-F137 HydrophobicContact CG-CE1 4.04Å; L55-F137 HydrophobicContact CG-CZ 3.98Å; V81-F137 HydrophobicContact CG1-CZ 4.43Å; V81-F137 HydrophobicContact CG2-CZ 3.95Å; F83-F137 HydrophobicContact CD1-CE2 4.35Å; F83-F137 AromaticContact CE1-CE2 3.56Å; F83-F137 HydrophobicContact CE1-CE2 3.56Å; F83-F137 AromaticContact CE1-CZ 3.86Å; F83-F137 HydrophobicContact CE1-CZ 3.86Å; F83-F137 HydrophobicContact CZ-CE2 4.06Å; I96-F137 HydrophobicContact CD1-CD2 3.77Å; I96-F137 HydrophobicContact CD1-CE2 3.67Å; I96-F137 HydrophobicContact CG1-CE2 4.16Å; I133-F137 HydrophobicContact CG2-CD2 4.1Å; I133-F137 HydrophobicContact CG2-CE2 4.23Å; I133-F137 PolarHBondContact O-N 3.4Å; A134-F137 PolarHBondContact O-N 2.88Å; H135-F137 VanDerWaalsContact C-N 3.26Å; H135-F137 PolarHBondContact O-N 2.84Å; F137-L139 VanDerWaalsContact C-N 3.31Å; F137-L139 PolarHBondContact O-N 3.02Å; F137-L141 HydrophobicContact CD1-CD2 3.77Å; F137-L141 HydrophobicContact CE1-CD2 3.5Å; F137-L141 VanDerWaalsContact CE1-CD2 3.5Å; F137-L141 HydrophobicContact CE2-CD2 4.48Å; F137-L141 HydrophobicContact CG-CD2 4.35Å; F137-L141 HydrophobicContact CZ-CD2 3.85Å; F137-L141 PolarHBondContact O-N 3.23Å; F137-G142 PolarHBondContact O-N 2.84Å
138A95.2Very high96.1Very high7 Ų722.2 Ų22.26%0.05813%0.133CC..Iπ-helixtrans-64.7-32.6-179.100000113.6V8 L12 Y41 A134 H135 P143V8-A138 HydrophobicContact CG1-CB 4.08Å; L12-A138 HydrophobicContact CD1-CB 4.12Å; Y41-A138 HydrophobicContact CE1-CB 3.98Å; A134-A138 WeakPolarHBondContact O-CB 3.46Å; A134-A138 PolarHBondContact O-N 2.91Å; H135-A138 PolarHBondContact O-N 2.94Å; A138-P143 WeakPolarHBondContact O-CD 3.45Å
139L94.5Very high96.1Very high10 Ų1020.3 Ų20.35%0.05212%0.122CC..Iπ-helixtrans-103.7-24.9-173-66.2175.8000114.8M1 T5 I9 F120 L123 F131 H135 F137M1-L139 HydrophobicContact CE-CD2 3.35Å; M1-L139 HydrophobicContact CE-CG 4.49Å; M1-L139 HydrophobicContact SD-CD2 4.16Å; T5-L139 HydrophobicContact CG2-CD2 3.86Å; I9-L139 HydrophobicContact CD1-CD1 4.38Å; I9-L139 HydrophobicContact CD1-CD2 3.21Å; I9-L139 HydrophobicContact CD1-CG 4.19Å; I9-L139 HydrophobicContact CG1-CD1 4.39Å; I9-L139 HydrophobicContact CG1-CD2 3.54Å; I9-L139 HydrophobicContact CG1-CG 4.1Å; F120-L139 HydrophobicContact CD2-CB 4.14Å; F120-L139 HydrophobicContact CE2-CB 3.9Å; L123-L139 HydrophobicContact CD2-CD1 4.04Å; F131-L139 HydrophobicContact CD2-CD1 4.15Å; F131-L139 HydrophobicContact CE2-CD1 3.55Å; F131-L139 HydrophobicContact CZ-CD1 4.02Å; H135-L139 HydrophobicContact CB-CD1 4.47Å; H135-L139 WeakPolarHBondContact O-CB 3.46Å; H135-L139 WeakPolarHBondContact O-CG 3.22Å; H135-L139 PolarHBondContact O-N 2.74Å; F137-L139 VanDerWaalsContact C-N 3.31Å; F137-L139 PolarHBondContact O-N 3.02Å
140G94.4Very high96Very high5 Ų520.1 Ų20.15%0.05212%0.121CC..Iπ-helixtrans-104.7-71-178.500000110.6A136 W144A136-G140 WeakPolarHBondContact O-CA 3.4Å; A136-G140 PolarHBondContact O-N 2.89Å; G140-W144 WeakPolarHBondContact O-CB 3.34Å; G140-W144 PolarHBondContact O-N 2.97Å
141L96Very high95.9Very high0 Ų017.6 Ų17.60%011%0.112CC..Iπ-helixtrans-66.7-47.3-171.6-179.562.4000113.2W52 C68 V81 I96 L98 I114 A136 F137 W144 L145W52-L141 HydrophobicContact CH2-CB 4.19Å; W52-L141 HydrophobicContact CH2-CD2 3.99Å; W52-L141 HydrophobicContact CH2-CG 4.08Å; W52-L141 HydrophobicContact CZ3-CB 4.47Å; W52-L141 HydrophobicContact CZ3-CD2 3.68Å; W52-L141 HydrophobicContact CZ3-CG 3.86Å; C68-L141 HydrophobicContact CB-CD2 4.23Å; V81-L141 HydrophobicContact CG2-CD2 4.35Å; I96-L141 HydrophobicContact CD1-CB 3.99Å; I96-L141 HydrophobicContact CG2-CD1 4.23Å; I96-L141 HydrophobicContact CG2-CD2 4.22Å; L98-L141 HydrophobicContact CD1-CD1 3.94Å; L98-L141 HydrophobicContact CD2-CD1 4.37Å; L98-L141 HydrophobicContact CG-CD1 4.35Å; I114-L141 HydrophobicContact CD1-CB 4.19Å; I114-L141 HydrophobicContact CD1-CD1 3.95Å; A136-L141 PolarHBondContact O-N 2.93Å; F137-L141 HydrophobicContact CD1-CD2 3.77Å; F137-L141 HydrophobicContact CE1-CD2 3.5Å; F137-L141 VanDerWaalsContact CE1-CD2 3.5Å; F137-L141 HydrophobicContact CE2-CD2 4.48Å; F137-L141 HydrophobicContact CG-CD2 4.35Å; F137-L141 HydrophobicContact CZ-CD2 3.85Å; F137-L141 PolarHBondContact O-N 3.23Å; L141-W144 WeakPolarHBondContact O-CB 3.27Å; L141-W144 PolarHBondContact O-N 3.18Å; L141-W144 VanDerWaalsContact O-N 3.16Å; L141-L145 HydrophobicContact CD1-CD1 4.06Å; L141-L145 HydrophobicContact CD1-CD2 4.36Å; L141-L145 HydrophobicContact CD1-CG 3.92Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CG-CD1 3.91Å; L141-L145 HydrophobicContact CG-CG 4.22Å; L141-L145 WeakPolarHBondContact O-CG 3.48Å; L141-L145 PolarHBondContact O-N 3.45Å
142G95Very high95.9Very high21 Ų2116.9 Ų16.922%0.21611%0.109CC..Hα-helixtrans-56.4-54.9-17800000113F137 W144 L145 A146F137-G142 PolarHBondContact O-N 2.84Å; G142-W144 VanDerWaalsContact C-N 3.28Å; G142-W144 PolarHBondContact O-N 2.93Å; G142-L145 PolarHBondContact O-N 3.46Å; G142-A146 PolarHBondContact O-N 3.35Å
143P93.8Very high95.8Very high52 Ų5217.9 Ų17.934%0.33812%0.115SC..Hα-helixtrans-61.3-34175.4-26.636.2000113.7A138 A146 V147A138-P143 WeakPolarHBondContact O-CD 3.45Å; P143-A146 PolarHBondContact O-N 2.84Å; P143-V147 PolarHBondContact O-N 3.13Å
144W95.4Very high95.6Very high17 Ų1723.1 Ų23.16%0.06414%0.143CC..Hα-helixtrans-65.4-47.7176.3-172.598.4000111.1L98 L101 T105 K107 M108 I114 G140 L141 G142 A146 V147 E148L98-W144 HydrophobicContact CD1-CE3 4.13Å; L98-W144 HydrophobicContact CD1-CH2 4.29Å; L98-W144 HydrophobicContact CD1-CZ3 3.63Å; L101-W144 HydrophobicContact CD1-CH2 3.74Å; L101-W144 HydrophobicContact CD1-CZ3 3.75Å; T105-W144 HydrophobicContact CG2-CH2 3.96Å; T105-W144 HydrophobicContact CG2-CZ2 3.69Å; K107-W144 PolarHBondContact O-NE1 2.79Å; M108-W144 HydrophobicContact CE-CH2 3.52Å; M108-W144 HydrophobicContact CE-CZ2 3.57Å; I114-W144 HydrophobicContact CB-CD2 4.03Å; I114-W144 HydrophobicContact CB-CG 4.11Å; I114-W144 HydrophobicContact CB-CZ2 4.39Å; I114-W144 HydrophobicContact CD1-CB 4.34Å; I114-W144 HydrophobicContact CD1-CG 4.33Å; I114-W144 HydrophobicContact CG2-CD2 3.87Å; I114-W144 HydrophobicContact CG2-CE3 4.11Å; I114-W144 HydrophobicContact CG2-CG 4.4Å; I114-W144 HydrophobicContact CG2-CH2 4.31Å; I114-W144 HydrophobicContact CG2-CZ2 4.02Å; I114-W144 HydrophobicContact CG2-CZ3 4.34Å; G140-W144 WeakPolarHBondContact O-CB 3.34Å; G140-W144 PolarHBondContact O-N 2.97Å; L141-W144 WeakPolarHBondContact O-CB 3.27Å; L141-W144 PolarHBondContact O-N 3.18Å; L141-W144 VanDerWaalsContact O-N 3.16Å; G142-W144 VanDerWaalsContact C-N 3.28Å; G142-W144 PolarHBondContact O-N 2.93Å; W144-A146 VanDerWaalsContact C-N 3.29Å; W144-A146 PolarHBondContact O-N 3.14Å; W144-V147 PolarHBondContact O-N 3.41Å; W144-V147 VanDerWaalsContact O-N 3.16Å; W144-E148 HydrophobicContact CD2-CB 4.14Å; W144-E148 HydrophobicContact CD2-CG 3.74Å; W144-E148 HydrophobicContact CE3-CB 3.98Å; W144-E148 HydrophobicContact CE3-CG 4.12Å; W144-E148 HydrophobicContact CG-CG 4.22Å; W144-E148 HydrophobicContact CH2-CB 3.8Å; W144-E148 HydrophobicContact CH2-CG 4.07Å; W144-E148 HydrophobicContact CZ2-CB 4Å; W144-E148 HydrophobicContact CZ2-CG 3.73Å; W144-E148 HydrophobicContact CZ3-CB 3.79Å; W144-E148 HydrophobicContact CZ3-CG 4.26Å; W144-E148 WeakPolarHBondContact O-CB 3.43Å; W144-E148 WeakPolarHBondContact O-CG 3.44Å; W144-E148 PolarHBondContact O-N 2.9Å
145L95.9Very high95.5Very high2 Ų228.7 Ų28.71%0.0117%0.167CC..Hα-helixtrans-59.1-41.6176.5-71.3171.7000111.6W52 C68 Y70 F79 L98 L141 G142 V147 V149W52-L145 HydrophobicContact CE3-CD1 3.98Å; W52-L145 HydrophobicContact CZ3-CD1 3.76Å; C68-L145 HydrophobicContact CB-CD1 4.37Å; Y70-L145 HydrophobicContact CD2-CB 4.06Å; F79-L145 HydrophobicContact CD2-CD2 4.17Å; F79-L145 HydrophobicContact CE2-CD2 4.19Å; L98-L145 HydrophobicContact CD1-CD2 3.96Å; L141-L145 HydrophobicContact CD1-CD1 4.06Å; L141-L145 HydrophobicContact CD1-CD2 4.36Å; L141-L145 HydrophobicContact CD1-CG 3.92Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CG-CD1 3.91Å; L141-L145 HydrophobicContact CG-CG 4.22Å; L141-L145 WeakPolarHBondContact O-CG 3.48Å; L141-L145 PolarHBondContact O-N 3.45Å; G142-L145 PolarHBondContact O-N 3.46Å; L145-V147 PolarHBondContact O-N 3.12Å; L145-V149 HydrophobicContact CB-CG2 4.18Å; L145-V149 HydrophobicContact CD2-CG2 3.69Å; L145-V149 VanDerWaalsContact O-CB 3.26Å; L145-V149 WeakPolarHBondContact O-CB 3.39Å; L145-V149 WeakPolarHBondContact O-CG2 3.26Å; L145-V149 PolarHBondContact O-N 2.62Å
146A94.1Very high95.3Very high45 Ų4537.3 Ų37.337%0.37221%0.205SC..Hα-helixtrans-63.2-21.8-179.700000114.3Y70 G142 P143 W144Y70-A146 HydrophobicContact CE2-CB 4.05Å; G142-A146 PolarHBondContact O-N 3.35Å; P143-A146 PolarHBondContact O-N 2.84Å; W144-A146 VanDerWaalsContact C-N 3.29Å; W144-A146 PolarHBondContact O-N 3.14Å
147V94.4Very high95.2Very high96 Ų9641 Ų4158%0.58222%0.224SC*.Hα-helixtrans-97.9-48.1177.1175.60000111P143 W144 L145P143-V147 PolarHBondContact O-N 3.13Å; W144-V147 PolarHBondContact O-N 3.41Å; W144-V147 VanDerWaalsContact O-N 3.16Å; L145-V147 PolarHBondContact O-N 3.12Å
148E95.9Very high95Very high18 Ų1841.6 Ų41.68%0.08423%0.227CC..Hα-helixtrans-83.4-34.6-167.8-61.2-63.3136.100112.7T105 K107 W144 D151 L152T105-E148 WeakPolarHBondContact CB-OE2 3.2Å; T105-E148 PolarHBondContact OG1-OE2 3.18Å; K107-E148 HydrophobicContact CB-CG 4.36Å; K107-E148 VanDerWaalsContact CG-OE1 3.27Å; K107-E148 WeakPolarHBondContact CG-OE1 3.22Å; W144-E148 HydrophobicContact CD2-CB 4.14Å; W144-E148 HydrophobicContact CD2-CG 3.74Å; W144-E148 HydrophobicContact CE3-CB 3.98Å; W144-E148 HydrophobicContact CE3-CG 4.12Å; W144-E148 HydrophobicContact CG-CG 4.22Å; W144-E148 HydrophobicContact CH2-CB 3.8Å; W144-E148 HydrophobicContact CH2-CG 4.07Å; W144-E148 HydrophobicContact CZ2-CB 4Å; W144-E148 HydrophobicContact CZ2-CG 3.73Å; W144-E148 HydrophobicContact CZ3-CB 3.79Å; W144-E148 HydrophobicContact CZ3-CG 4.26Å; W144-E148 WeakPolarHBondContact O-CB 3.43Å; W144-E148 WeakPolarHBondContact O-CG 3.44Å; W144-E148 PolarHBondContact O-N 2.9Å; E148-D151 PolarHBondContact O-N 2.69Å; E148-L152 WeakPolarHBondContact O-CB 3.49Å; E148-L152 WeakPolarHBondContact O-CG 3.46Å; E148-L152 PolarHBondContact O-N 3.07Å
149V96.1Very high94.5Very high0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-61.9-50.6179.7176.30000111.1Y70 Y77 F79 L145 D151 L152 V153 I158Y70-V149 HydrophobicContact CD1-CB 3.85Å; Y70-V149 HydrophobicContact CD1-CG1 3.69Å; Y70-V149 HydrophobicContact CD1-CG2 4.43Å; Y70-V149 HydrophobicContact CE1-CB 4.44Å; Y70-V149 HydrophobicContact CE1-CG1 4.49Å; Y70-V149 HydrophobicContact CG-CB 4.27Å; Y70-V149 HydrophobicContact CG-CG1 4.31Å; Y70-V149 HydrophobicContact CG-CG2 4.36Å; Y77-V149 HydrophobicContact CD2-CG1 4.29Å; Y77-V149 HydrophobicContact CG-CG1 4.3Å; F79-V149 HydrophobicContact CE2-CG2 3.77Å; F79-V149 HydrophobicContact CZ-CG2 4.12Å; L145-V149 HydrophobicContact CB-CG2 4.18Å; L145-V149 HydrophobicContact CD2-CG2 3.69Å; L145-V149 VanDerWaalsContact O-CB 3.26Å; L145-V149 WeakPolarHBondContact O-CB 3.39Å; L145-V149 WeakPolarHBondContact O-CG2 3.26Å; L145-V149 PolarHBondContact O-N 2.62Å; V149-D151 VanDerWaalsContact C-N 3.31Å; V149-D151 PolarHBondContact O-N 3.04Å; V149-L152 PolarHBondContact O-N 3.39Å; V149-V153 HydrophobicContact CG1-CG2 4.25Å; V149-V153 WeakPolarHBondContact O-CG2 3.44Å; V149-V153 PolarHBondContact O-N 3.14Å; V149-I158 HydrophobicContact CG1-CD1 3.99Å
150P96Very high94Very high23 Ų2351.9 Ų51.915%0.14928%0.275CS..Hα-helixtrans-55.1-42.9175.6-28.337.2000114Y70 V153 N154Y70-P150 HydrophobicContact CE1-CG 4.28Å; P150-V153 PolarHBondContact O-N 2.89Å; P150-N154 WeakPolarHBondContact O-CB 3.5Å; P150-N154 VanDerWaalsContact O-CG 3.27Å; P150-N154 PolarHBondContact O-N 3.21Å; P150-N154 PolarHBondContact O-ND2 3.28Å; P150-N154 VanDerWaalsContact O-ND2 3.1Å
151D96.1Very high92.9Very high54 Ų5456 Ų5629%0.28930%0.299SS..Hα-helixtrans-63.8-43.8178.3178.369.3000111.8E148 V149 N154 K155E148-D151 PolarHBondContact O-N 2.69Å; V149-D151 VanDerWaalsContact C-N 3.31Å; V149-D151 PolarHBondContact O-N 3.04Å; D151-N154 PolarHBondContact O-N 3.28Å; D151-K155 VanDerWaalsContact CG-NZ 3.27Å; D151-K155 WeakPolarHBondContact O-CB 3.33Å; D151-K155 VanDerWaalsContact O-CG 3.32Å; D151-K155 WeakPolarHBondContact O-CG 3.45Å; D151-K155 PolarHBondContact O-N 3.33Å; D151-K155 WeakPolarHBondContact OD1-CE 3.45Å; D151-K155 IonicContact OD1-NZ 3.11Å; D151-K155 PolarHBondContact OD1-NZ 3.15Å; D151-K155 VanDerWaalsContact OD1-NZ 3.11Å; D151-K155 VanDerWaalsContact OD2-CE 3.28Å; D151-K155 WeakPolarHBondContact OD2-CE 3.4Å; D151-K155 IonicContact OD2-NZ 2.65Å; D151-K155 PolarHBondContact OD2-NZ 3.01Å
152L96.5Very high90.7Very high0 Ų066.5 Ų66.50%036%0.356CS..Hα-helixtrans-65.6-37.2177-69.6174.4000112.7L101 K104 E148 V149 K156 L157 I158L101-L152 HydrophobicContact CD1-CD1 4.12Å; L101-L152 HydrophobicContact CD2-CD1 4.05Å; K104-L152 HydrophobicContact CB-CD2 3.82Å; K104-L152 VanDerWaalsContact O-CD2 3.23Å; K104-L152 WeakPolarHBondContact O-CD2 3.19Å; E148-L152 WeakPolarHBondContact O-CB 3.49Å; E148-L152 WeakPolarHBondContact O-CG 3.46Å; E148-L152 PolarHBondContact O-N 3.07Å; V149-L152 PolarHBondContact O-N 3.39Å; L152-K156 PolarHBondContact O-N 3.15Å; L152-K156 VanDerWaalsContact O-N 3.14Å; L152-L157 HydrophobicContact CD2-CB 4.12Å; L152-L157 HydrophobicContact CD2-CD1 3.97Å; L152-L157 PolarHBondContact O-N 3.29Å; L152-I158 HydrophobicContact CB-CD1 3.73Å; L152-I158 HydrophobicContact CB-CG1 3.85Å; L152-I158 HydrophobicContact CB-CG2 4.15Å; L152-I158 HydrophobicContact CD1-CG2 4.22Å
153V95.6Very high90.5Very high20 Ų2068.8 Ų68.812%0.12136%0.363CS..Hα-helixtrans-63.5-49.2173.3175.30000110.2Y77 V149 P150 K155 K156 I158Y77-V153 HydrophobicContact CD1-CG2 4.22Å; Y77-V153 HydrophobicContact CD2-CG2 4.27Å; Y77-V153 HydrophobicContact CE1-CG2 3.62Å; Y77-V153 HydrophobicContact CE2-CG2 3.7Å; Y77-V153 WeakPolarHBondContact OH-CG1 3.44Å; Y77-V153 WeakPolarHBondContact OH-CG2 3.44Å; V149-V153 HydrophobicContact CG1-CG2 4.25Å; V149-V153 WeakPolarHBondContact O-CG2 3.44Å; V149-V153 PolarHBondContact O-N 3.14Å; P150-V153 PolarHBondContact O-N 2.89Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 3.01Å; V153-K156 WeakPolarHBondContact O-CA 3.22Å; V153-K156 PolarHBondContact O-N 2.95Å; V153-I158 HydrophobicContact CG2-CD1 3.76Å; V153-I158 HydrophobicContact CG2-CG1 4.01Å
154N94.2Very high90.4Very high112 Ų11269.7 Ų69.760%0.59936%0.364SS*.Hα-helixtrans-60.8-37.1179.8-74.7-33.2000112.4P150 D151 K156P150-N154 WeakPolarHBondContact O-CB 3.5Å; P150-N154 VanDerWaalsContact O-CG 3.27Å; P150-N154 PolarHBondContact O-N 3.21Å; P150-N154 PolarHBondContact O-ND2 3.28Å; P150-N154 VanDerWaalsContact O-ND2 3.1Å; D151-N154 PolarHBondContact O-N 3.28Å; N154-K156 PolarHBondContact O-N 3.44Å
155K95.2Very high90.1Very high117 Ų11772.6 Ų72.651%0.50938%0.381SS..THydrogen-bonded Turntrans-77.5-4.2174.1-69.1171.9179.4167.10113.9D151 V153 L157D151-K155 VanDerWaalsContact CG-NZ 3.27Å; D151-K155 WeakPolarHBondContact O-CB 3.33Å; D151-K155 VanDerWaalsContact O-CG 3.32Å; D151-K155 WeakPolarHBondContact O-CG 3.45Å; D151-K155 PolarHBondContact O-N 3.33Å; D151-K155 WeakPolarHBondContact OD1-CE 3.45Å; D151-K155 IonicContact OD1-NZ 3.11Å; D151-K155 PolarHBondContact OD1-NZ 3.15Å; D151-K155 VanDerWaalsContact OD1-NZ 3.11Å; D151-K155 VanDerWaalsContact OD2-CE 3.28Å; D151-K155 WeakPolarHBondContact OD2-CE 3.4Å; D151-K155 IonicContact OD2-NZ 2.65Å; D151-K155 PolarHBondContact OD2-NZ 3.01Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 3.01Å; K155-L157 HydrophobicContact CB-CD1 3.86Å; K155-L157 HydrophobicContact CB-CG 3.82Å; K155-L157 HydrophobicContact CD-CD1 4.16Å; K155-L157 PolarHBondContact O-N 3.31Å
156K93.6Very high89.7Confident183 Ų18376.8 Ų76.880%0.79640%0.403SS*.THydrogen-bonded Turntrans57.832-177.5-53.8-179.9-179.4179.20113.4L152 V153 N154L152-K156 PolarHBondContact O-N 3.15Å; L152-K156 VanDerWaalsContact O-N 3.14Å; V153-K156 WeakPolarHBondContact O-CA 3.22Å; V153-K156 PolarHBondContact O-N 2.95Å; N154-K156 PolarHBondContact O-N 3.44Å
157L93.8Very high89.5Confident78 Ų7878.8 Ų78.841%0.40841%0.405SS..  trans-90-15.1-178.8-65.8176.4000113.2K104 L152 K155K104-L157 HydrophobicContact CB-CB 4.43Å; K104-L157 HydrophobicContact CB-CD1 4.46Å; K104-L157 HydrophobicContact CD-CB 4.46Å; K104-L157 WeakPolarHBondContact CD-O 3.47Å; K104-L157 WeakPolarHBondContact CE-O 3.43Å; K104-L157 VanDerWaalsContact O-CD1 3.31Å; K104-L157 WeakPolarHBondContact O-CD1 3.45Å; L152-L157 HydrophobicContact CD2-CB 4.12Å; L152-L157 HydrophobicContact CD2-CD1 3.97Å; L152-L157 PolarHBondContact O-N 3.29Å; K155-L157 HydrophobicContact CB-CD1 3.86Å; K155-L157 HydrophobicContact CB-CG 3.82Å; K155-L157 HydrophobicContact CD-CD1 4.16Å; K155-L157 PolarHBondContact O-N 3.31Å
158I93.4Very high89.1Confident14 Ų1477.6 Ų77.67%0.07239%0.393CS..  trans-125.4149.9175.359.9174.8000110Y77 F79 L101 K104 V149 L152 V153Y77-I158 HydrophobicContact CD1-CD1 3.85Å; Y77-I158 HydrophobicContact CD1-CG1 4.15Å; Y77-I158 HydrophobicContact CE1-CD1 4.27Å; Y77-I158 HydrophobicContact CE1-CG1 4.24Å; Y77-I158 HydrophobicContact CG-CD1 4.37Å; F79-I158 HydrophobicContact CE1-CD1 4.33Å; F79-I158 HydrophobicContact CE1-CG2 4.42Å; F79-I158 HydrophobicContact CZ-CD1 3.91Å; L101-I158 HydrophobicContact CD2-CG2 3.54Å; K104-I158 HydrophobicContact CD-CG2 4.13Å; V149-I158 HydrophobicContact CG1-CD1 3.99Å; L152-I158 HydrophobicContact CB-CD1 3.73Å; L152-I158 HydrophobicContact CB-CG1 3.85Å; L152-I158 HydrophobicContact CB-CG2 4.15Å; L152-I158 HydrophobicContact CD1-CG2 4.22Å; V153-I158 HydrophobicContact CG2-CD1 3.76Å; V153-I158 HydrophobicContact CG2-CG1 4.01Å
159K85.4Confident88.7Confident191 Ų19181.9 Ų81.983%0.8342%0.415SS*.  trans-117.3148.5174.1-67.9-176.8179.2179.90108.2
160S83.3Confident88.1Confident42 Ų4288.2 Ų88.229%0.29445%0.447SS..  trans-67.8145.717059.10000109.9K76 N162K76-S160 WeakPolarHBondContact O-CB 3.45Å; S160-N162 PolarHBondContact O-N 3.22Å
161T70.8Confident87.4Confident90 Ų9093.6 Ų93.655%0.55247%0.471SS*.  trans-72.1113.4168-33.40000106.7
162N51.3Low86.6Confident222 Ų22297.2 Ų97.2100%1.18749%0.488SS*.  trans-65.30172-92.8-4.4000110.9S160S160-N162 PolarHBondContact O-N 3.22Å

Retrieved 162 of 162 residues in 53 ms (Link to these results)

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