A0A5K4FDF2_SCHMA Loading...

Acyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FDF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.9Low75.5Confident199 Ų199124 Ų12498%0.9861%0.606SS**  0-59.70-151.7177.1-70.600111.9K3 C4 I5M1-K3 PolarHBondContact O-N 3.48Å; M1-C4 WeakPolarHBondContact O-CB 3.18Å; M1-C4 PolarHBondContact O-N 2.9Å; M1-I5 HydrophobicContact CG-CD1 4.3Å; M1-I5 PolarHBondContact O-N 3.38Å
2Y73.1Confident76Confident180 Ų180124.3 Ų124.371%0.70660%0.602SS**Hα-helixtrans-49.6-48.8-179.9-173.7-106.6000115.7C4 I5 I6Y2-C4 VanDerWaalsContact C-N 3.26Å; Y2-C4 PolarHBondContact O-N 3.39Å; Y2-I5 PolarHBondContact O-N 3.18Å; Y2-I6 HydrophobicContact CD1-CD1 3.72Å; Y2-I6 HydrophobicContact CE1-CD1 3.24Å; Y2-I6 HydrophobicContact CE1-CG1 4.34Å; Y2-I6 HydrophobicContact CE2-CD1 4.3Å; Y2-I6 HydrophobicContact CG-CD1 4.42Å; Y2-I6 PolarHBondContact O-N 3.07Å
3K73.4Confident76.7Confident182 Ų182118.9 Ų118.979%0.79159%0.585SS**Hα-helixtrans-60.6-31.7176.9-70-173.8177.8-178.20113.9M1 K7M1-K3 PolarHBondContact O-N 3.48Å; K3-K7 PolarHBondContact O-N 3.01Å
4C72.5Confident77.4Confident90 Ų90116 Ų11661%0.60857%0.573SS**Hα-helixtrans-73.5-41.4179.2-149.20000110.4M1 Y2 K7 L8M1-C4 WeakPolarHBondContact O-CB 3.18Å; M1-C4 PolarHBondContact O-N 2.9Å; Y2-C4 VanDerWaalsContact C-N 3.26Å; Y2-C4 PolarHBondContact O-N 3.39Å; C4-K7 PolarHBondContact O-N 3.04Å; C4-L8 WeakPolarHBondContact O-CB 3.41Å; C4-L8 PolarHBondContact O-N 3.31Å
5I74.2Confident78Confident80 Ų80115.6 Ų115.641%0.4157%0.573SS.*Hα-helixtrans-60.9-48.4175.6-66.3172000110.4M1 Y2 K7 L8 F9M1-I5 HydrophobicContact CG-CD1 4.3Å; M1-I5 PolarHBondContact O-N 3.38Å; Y2-I5 PolarHBondContact O-N 3.18Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 3.29Å; I5-L8 PolarHBondContact O-N 2.98Å; I5-F9 HydrophobicContact CG2-CD2 3.48Å; I5-F9 VanDerWaalsContact CG2-CD2 3.48Å; I5-F9 HydrophobicContact CG2-CE2 3.38Å; I5-F9 VanDerWaalsContact O-CD2 3.24Å; I5-F9 WeakPolarHBondContact O-CD2 3.5Å; I5-F9 PolarHBondContact O-N 2.87Å
6I79Confident78.6Confident86 Ų86112.8 Ų112.844%0.44156%0.56SS.*Hα-helixtrans-57.6-46.2176.3-69.5173.1000111.7Y2 L8 F9 S10Y2-I6 HydrophobicContact CD1-CD1 3.72Å; Y2-I6 HydrophobicContact CE1-CD1 3.24Å; Y2-I6 HydrophobicContact CE1-CG1 4.34Å; Y2-I6 HydrophobicContact CE2-CD1 4.3Å; Y2-I6 HydrophobicContact CG-CD1 4.42Å; Y2-I6 PolarHBondContact O-N 3.07Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3.09Å; I6-F9 PolarHBondContact O-N 3.31Å; I6-S10 WeakPolarHBondContact O-CB 3.2Å; I6-S10 PolarHBondContact O-N 3.3Å
7K78.7Confident79.2Confident141 Ų141112.1 Ų112.161%0.61356%0.555SS**Hα-helixtrans-64.6-37.3179.7-168.9172.8-176.5177.90112K3 C4 I5 S10 N11K3-K7 PolarHBondContact O-N 3.01Å; C4-K7 PolarHBondContact O-N 3.04Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 3.29Å; K7-S10 PolarHBondContact O-N 3.37Å; K7-N11 WeakPolarHBondContact O-CB 3.11Å; K7-N11 VanDerWaalsContact O-CG 3.23Å; K7-N11 PolarHBondContact O-N 2.92Å; K7-N11 PolarHBondContact O-OD1 3.48Å
8L75.5Confident79.8Confident123 Ų123111.3 Ų111.364%0.64455%0.553SS**Hα-helixtrans-69.5-41178-153.3134.1000111.4C4 I5 I6 N11 F12C4-L8 WeakPolarHBondContact O-CB 3.41Å; C4-L8 PolarHBondContact O-N 3.31Å; I5-L8 PolarHBondContact O-N 2.98Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3.09Å; L8-N11 PolarHBondContact O-N 3.34Å; L8-F12 WeakPolarHBondContact O-CB 3.45Å; L8-F12 PolarHBondContact O-N 3.3Å
9F77Confident80.4Confident141 Ų141112.5 Ų112.562%0.61855%0.554SS**Hα-helixtrans-64.1-41.8171.5-84.1-68.8000112.6I5 I6 F12 S13I5-F9 HydrophobicContact CG2-CD2 3.48Å; I5-F9 VanDerWaalsContact CG2-CD2 3.48Å; I5-F9 HydrophobicContact CG2-CE2 3.38Å; I5-F9 VanDerWaalsContact O-CD2 3.24Å; I5-F9 WeakPolarHBondContact O-CD2 3.5Å; I5-F9 PolarHBondContact O-N 2.87Å; I6-F9 PolarHBondContact O-N 3.31Å; F9-F12 PolarHBondContact O-N 2.96Å; F9-S13 WeakPolarHBondContact O-CB 3.35Å; F9-S13 PolarHBondContact O-N 3.38Å
10S80.9Confident81Confident58 Ų58111.5 Ų111.541%0.40655%0.548SS..Hα-helixtrans-59.2-52.5174.5-171.20000110.8I6 K7 F12 S13 D14I6-S10 WeakPolarHBondContact O-CB 3.2Å; I6-S10 PolarHBondContact O-N 3.3Å; K7-S10 PolarHBondContact O-N 3.37Å; S10-F12 VanDerWaalsContact C-N 3.25Å; S10-F12 PolarHBondContact O-N 3.48Å; S10-S13 WeakPolarHBondContact O-CB 3.41Å; S10-S13 PolarHBondContact O-N 3.03Å; S10-S13 VanDerWaalsContact O-N 3.15Å; S10-D14 PolarHBondContact O-N 3.49Å
11N83Confident81.5Confident84 Ų84109.6 Ų109.645%0.44954%0.539SS..Hα-helixtrans-58.3-38.7177.9-73.2-7.9000112.1K7 L8 D14 L15K7-N11 WeakPolarHBondContact O-CB 3.11Å; K7-N11 VanDerWaalsContact O-CG 3.23Å; K7-N11 PolarHBondContact O-N 2.92Å; K7-N11 PolarHBondContact O-OD1 3.48Å; L8-N11 PolarHBondContact O-N 3.34Å; N11-D14 PolarHBondContact O-N 3.19Å; N11-L15 WeakPolarHBondContact O-CB 3.27Å; N11-L15 VanDerWaalsContact O-CG 3.25Å; N11-L15 WeakPolarHBondContact O-CG 3.26Å; N11-L15 PolarHBondContact O-N 3.06Å
12F82.4Confident83Confident128 Ų128106.1 Ų106.156%0.56152%0.522SS*.Hα-helixtrans-69-42.3178-169-107.1000112L8 F9 S10 D14 L15 I16L8-F12 WeakPolarHBondContact O-CB 3.45Å; L8-F12 PolarHBondContact O-N 3.3Å; F9-F12 PolarHBondContact O-N 2.96Å; S10-F12 VanDerWaalsContact C-N 3.25Å; S10-F12 PolarHBondContact O-N 3.48Å; F12-D14 VanDerWaalsContact C-N 3.35Å; F12-L15 PolarHBondContact O-N 3.23Å; F12-I16 HydrophobicContact CD1-CD1 3.54Å; F12-I16 HydrophobicContact CD1-CG1 4.42Å; F12-I16 HydrophobicContact CE1-CD1 3.35Å; F12-I16 HydrophobicContact CE1-CG1 4.26Å; F12-I16 HydrophobicContact CG-CD1 4.4Å; F12-I16 HydrophobicContact CZ-CD1 4.06Å; F12-I16 WeakPolarHBondContact O-CG1 3.48Å; F12-I16 PolarHBondContact O-N 3.48Å
13S84.6Confident84.1Confident54 Ų54101.1 Ų101.138%0.37850%0.504SS..Hα-helixtrans-59-45.8172.11790000111.3F9 S10 L15 I16 Q17F9-S13 WeakPolarHBondContact O-CB 3.35Å; F9-S13 PolarHBondContact O-N 3.38Å; S10-S13 WeakPolarHBondContact O-CB 3.41Å; S10-S13 PolarHBondContact O-N 3.03Å; S10-S13 VanDerWaalsContact O-N 3.15Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.93Å; S13-I16 PolarHBondContact O-N 2.99Å; S13-Q17 WeakPolarHBondContact O-CG 3.3Å; S13-Q17 PolarHBondContact O-N 3.43Å
14D86.5Confident85.2Confident78 Ų7893.3 Ų93.342%0.41747%0.471SS..Hα-helixtrans-62.7-41.1178.4-62.7-26.4000111.4S10 N11 F12 Q17 L18S10-D14 PolarHBondContact O-N 3.49Å; N11-D14 PolarHBondContact O-N 3.19Å; F12-D14 VanDerWaalsContact C-N 3.35Å; D14-Q17 PolarHBondContact O-N 2.72Å; D14-L18 VanDerWaalsContact O-CB 3.31Å; D14-L18 WeakPolarHBondContact O-CB 3.3Å; D14-L18 PolarHBondContact O-N 2.92Å
15L86.9Confident86.3Confident110 Ų11092 Ų9258%0.57646%0.457SS*.Hα-helixtrans-64-40.6174.3-76.7166.3000112.2N11 F12 S13 K19N11-L15 WeakPolarHBondContact O-CB 3.27Å; N11-L15 VanDerWaalsContact O-CG 3.25Å; N11-L15 WeakPolarHBondContact O-CG 3.26Å; N11-L15 PolarHBondContact O-N 3.06Å; F12-L15 PolarHBondContact O-N 3.23Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.93Å; L15-K19 VanDerWaalsContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CB 3.48Å; L15-K19 PolarHBondContact O-N 3.46Å
16I87.8Confident87.4Confident71 Ų7193.5 Ų93.536%0.36447%0.465SS..Hα-helixtrans-64.1-46.9175.5-70.8165000110.4F12 S13 L18 K19 Q20F12-I16 HydrophobicContact CD1-CD1 3.54Å; F12-I16 HydrophobicContact CD1-CG1 4.42Å; F12-I16 HydrophobicContact CE1-CD1 3.35Å; F12-I16 HydrophobicContact CE1-CG1 4.26Å; F12-I16 HydrophobicContact CG-CD1 4.4Å; F12-I16 HydrophobicContact CZ-CD1 4.06Å; F12-I16 WeakPolarHBondContact O-CG1 3.48Å; F12-I16 PolarHBondContact O-N 3.48Å; S13-I16 PolarHBondContact O-N 2.99Å; I16-L18 PolarHBondContact O-N 3.39Å; I16-K19 WeakPolarHBondContact O-CB 3.27Å; I16-K19 PolarHBondContact O-N 3.34Å; I16-Q20 HydrophobicContact CG2-CG 4.47Å; I16-Q20 WeakPolarHBondContact O-CG 3.35Å; I16-Q20 PolarHBondContact O-N 3.13Å
17Q88.6Confident88.2Confident101 Ų10189.8 Ų89.847%0.47245%0.447SS..Hα-helixtrans-61.7-44.1178-72.8-177.4200111.3S13 D14 K19 Q20 I21S13-Q17 WeakPolarHBondContact O-CG 3.3Å; S13-Q17 PolarHBondContact O-N 3.43Å; D14-Q17 PolarHBondContact O-N 2.72Å; Q17-K19 PolarHBondContact O-N 3.25Å; Q17-Q20 PolarHBondContact O-N 3.39Å; Q17-I21 VanDerWaalsContact O-CG1 3.3Å; Q17-I21 WeakPolarHBondContact O-CG1 3.26Å; Q17-I21 PolarHBondContact O-N 3.22Å
18L90.1Very high89.1Confident98 Ų9883.1 Ų83.151%0.51342%0.418SS..Hα-helixtrans-59.7-46.3175.5-177.363.5000111.2D14 I16 Q20 I21 M22D14-L18 VanDerWaalsContact O-CB 3.31Å; D14-L18 WeakPolarHBondContact O-CB 3.3Å; D14-L18 PolarHBondContact O-N 2.92Å; I16-L18 PolarHBondContact O-N 3.39Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 2.91Å; L18-I21 PolarHBondContact O-N 3.38Å; L18-M22 WeakPolarHBondContact O-CG 3.38Å; L18-M22 PolarHBondContact O-N 2.96Å
19K90.6Very high90Very high133 Ų13379.4 Ų79.458%0.57840%0.401SS*.Hα-helixtrans-59.1-44.4176.5-170.2-171.3-166.6-166.30111.5L15 I16 Q17 M22 F23L15-K19 VanDerWaalsContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CB 3.48Å; L15-K19 PolarHBondContact O-N 3.46Å; I16-K19 WeakPolarHBondContact O-CB 3.27Å; I16-K19 PolarHBondContact O-N 3.34Å; Q17-K19 PolarHBondContact O-N 3.25Å; K19-M22 PolarHBondContact O-N 3.41Å; K19-F23 HydrophobicContact CD-CE2 3.96Å; K19-F23 HydrophobicContact CG-CD2 3.95Å; K19-F23 HydrophobicContact CG-CE2 3.52Å; K19-F23 HydrophobicContact CG-CZ 4.37Å; K19-F23 WeakPolarHBondContact O-CD2 3.06Å; K19-F23 PolarHBondContact O-N 3.35Å
20Q91.6Very high90.9Very high92 Ų9275.6 Ų75.643%0.4339%0.391SS..Hα-helixtrans-61.3-48.1176.2-74.3177.7-10.300111.5I16 Q17 L18 M22 F23 Q24I16-Q20 HydrophobicContact CG2-CG 4.47Å; I16-Q20 WeakPolarHBondContact O-CG 3.35Å; I16-Q20 PolarHBondContact O-N 3.13Å; Q17-Q20 PolarHBondContact O-N 3.39Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 2.91Å; Q20-M22 VanDerWaalsContact C-N 3.3Å; Q20-M22 PolarHBondContact O-N 3.02Å; Q20-F23 PolarHBondContact O-N 3.34Å; Q20-Q24 VanDerWaalsContact O-CG 3.24Å; Q20-Q24 WeakPolarHBondContact O-CG 3.35Å; Q20-Q24 PolarHBondContact O-N 2.92Å
21I92.8Very high91.6Very high72 Ų7273 Ų7337%0.36937%0.373SS..Hα-helixtrans-59.3-42.3178-69.9165.5000110.9Q17 L18 Q24 I25Q17-I21 VanDerWaalsContact O-CG1 3.3Å; Q17-I21 WeakPolarHBondContact O-CG1 3.26Å; Q17-I21 PolarHBondContact O-N 3.22Å; L18-I21 PolarHBondContact O-N 3.38Å; I21-Q24 PolarHBondContact O-N 2.94Å; I21-I25 HydrophobicContact CG2-CD1 3.84Å; I21-I25 HydrophobicContact CG2-CG1 4.5Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 2.94Å
22M94.3Very high92.1Very high126 Ų12669 Ų6962%0.62135%0.352SS*.Hα-helixtrans-62.3-45.7177-72.5-152.876.500112.1L18 K19 Q20 Q24 I25 L26L18-M22 WeakPolarHBondContact O-CG 3.38Å; L18-M22 PolarHBondContact O-N 2.96Å; K19-M22 PolarHBondContact O-N 3.41Å; Q20-M22 VanDerWaalsContact C-N 3.3Å; Q20-M22 PolarHBondContact O-N 3.02Å; M22-Q24 VanDerWaalsContact C-N 3.34Å; M22-Q24 PolarHBondContact O-N 3.3Å; M22-I25 PolarHBondContact O-N 3.37Å; M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 PolarHBondContact O-N 3.19Å
23F96.4Very high92.7Very high75 Ų7565.9 Ų65.933%0.32934%0.342SS..Hα-helixtrans-65.7-36.5176.4-72.8-52.7000112.8K19 Q20 L26 S27 Y130K19-F23 HydrophobicContact CD-CE2 3.96Å; K19-F23 HydrophobicContact CG-CD2 3.95Å; K19-F23 HydrophobicContact CG-CE2 3.52Å; K19-F23 HydrophobicContact CG-CZ 4.37Å; K19-F23 WeakPolarHBondContact O-CD2 3.06Å; K19-F23 PolarHBondContact O-N 3.35Å; Q20-F23 PolarHBondContact O-N 3.34Å; F23-L26 PolarHBondContact O-N 3.13Å; F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.46Å; F23-S27 PolarHBondContact O-OG 3.48Å; F23-Y130 HydrophobicContact CB-CD1 3.98Å; F23-Y130 HydrophobicContact CB-CD2 3.99Å; F23-Y130 HydrophobicContact CB-CE1 3.83Å; F23-Y130 HydrophobicContact CB-CE2 3.82Å; F23-Y130 HydrophobicContact CB-CG 4.08Å; F23-Y130 HydrophobicContact CD2-CE1 4.44Å; F23-Y130 HydrophobicContact CD2-CE2 4.48Å; F23-Y130 AromaticContact CD2-CZ 3.98Å; F23-Y130 HydrophobicContact CG-CE2 4.18Å
24Q96.2Very high93.1Very high19 Ų1965.4 Ų65.49%0.08934%0.335CS..Hα-helixtrans-60.1-49.1172.8-69.6175.29.500111.5Q20 I21 M22 L26 S27 V28 Y130 H133 Y134 R384Q20-Q24 VanDerWaalsContact O-CG 3.24Å; Q20-Q24 WeakPolarHBondContact O-CG 3.35Å; Q20-Q24 PolarHBondContact O-N 2.92Å; I21-Q24 PolarHBondContact O-N 2.94Å; M22-Q24 VanDerWaalsContact C-N 3.34Å; M22-Q24 PolarHBondContact O-N 3.3Å; Q24-L26 PolarHBondContact O-N 3.29Å; Q24-S27 PolarHBondContact O-N 3.42Å; Q24-V28 WeakPolarHBondContact O-CG2 3.49Å; Q24-V28 PolarHBondContact O-N 2.92Å; Q24-Y130 HydrophobicContact CG-CD1 4.16Å; Q24-Y130 WeakPolarHBondContact CG-O 3.48Å; Q24-H133 HydrophobicContact CG-CB 4.5Å; Q24-Y134 HydrophobicContact CB-CD2 3.91Å; Q24-R384 VanDerWaalsContact OE1-CZ 3.27Å
25I95.8Very high93.2Very high61 Ų6165.2 Ų65.231%0.31333%0.331SS..Hα-helixtrans-61.7-44.9178.1-68.7167.7000111I21 M22 S27 T29 Y134 L381I21-I25 HydrophobicContact CG2-CD1 3.84Å; I21-I25 HydrophobicContact CG2-CG1 4.5Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 2.94Å; M22-I25 PolarHBondContact O-N 3.37Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 2.88Å; I25-T29 VanDerWaalsContact O-CB 3.3Å; I25-T29 WeakPolarHBondContact O-CB 3.29Å; I25-T29 PolarHBondContact O-N 3.43Å; I25-T29 PolarHBondContact O-OG1 2.93Å; I25-Y134 HydrophobicContact CG1-CE2 4.02Å; I25-L381 HydrophobicContact CG1-CD2 4.31Å; I25-L381 HydrophobicContact CG2-CD1 4.18Å; I25-L381 HydrophobicContact CG2-CD2 4.17Å
26L96Very high93.3Very high112 Ų11262.6 Ų62.659%0.58632%0.317SS*.Hα-helixtrans-61.9-43.8178.2-179.461.6000111.5M22 F23 Q24 S30M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 PolarHBondContact O-N 3.19Å; F23-L26 PolarHBondContact O-N 3.13Å; Q24-L26 PolarHBondContact O-N 3.29Å; L26-S30 WeakPolarHBondContact O-CB 3.48Å; L26-S30 PolarHBondContact O-N 3.06Å
27S97.1Very high93.6Very high8 Ų863.9 Ų63.96%0.05632%0.32CS..Hα-helixtrans-63.6-48.2-179.8-59.10000111.6F23 Q24 I25 S30 F31 I127 Y130F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.46Å; F23-S27 PolarHBondContact O-OG 3.48Å; Q24-S27 PolarHBondContact O-N 3.42Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 2.88Å; S27-S30 PolarHBondContact O-N 3.15Å; S27-F31 WeakPolarHBondContact O-CB 3.49Å; S27-F31 PolarHBondContact O-N 3.24Å; S27-I127 VanDerWaalsContact CB-CG1 3.46Å; S27-I127 WeakPolarHBondContact OG-CG1 3.5Å; S27-Y130 VanDerWaalsContact OG-CB 3.32Å; S27-Y130 WeakPolarHBondContact OG-CB 3.31Å
28V97.2Very high93.8Very high1 Ų159.4 Ų59.41%0.00630%0.301CS..Hα-helixtrans-65.5-45.3178.51730000111.1Q24 S30 F31 I32 I131 Y134 F135 L381 P382Q24-V28 WeakPolarHBondContact O-CG2 3.49Å; Q24-V28 PolarHBondContact O-N 2.92Å; V28-S30 VanDerWaalsContact C-N 3.32Å; V28-S30 PolarHBondContact O-N 3.37Å; V28-F31 WeakPolarHBondContact O-CB 3.14Å; V28-F31 PolarHBondContact O-N 2.96Å; V28-I32 HydrophobicContact CG1-CG1 4.35Å; V28-I32 VanDerWaalsContact O-CG1 3.32Å; V28-I32 WeakPolarHBondContact O-CG1 3.27Å; V28-I32 PolarHBondContact O-N 3.38Å; V28-I131 HydrophobicContact CG2-CB 4.4Å; V28-I131 HydrophobicContact CG2-CG1 3.99Å; V28-I131 HydrophobicContact CG2-CG2 4.31Å; V28-Y134 HydrophobicContact CG1-CD1 4.48Å; V28-Y134 HydrophobicContact CG1-CE1 4.47Å; V28-Y134 HydrophobicContact CG2-CD1 3.76Å; V28-Y134 HydrophobicContact CG2-CD2 4.07Å; V28-Y134 HydrophobicContact CG2-CE1 4.46Å; V28-Y134 HydrophobicContact CG2-CG 3.55Å; V28-F135 HydrophobicContact CB-CE2 4.49Å; V28-F135 HydrophobicContact CG1-CE2 3.86Å; V28-F135 HydrophobicContact CG1-CZ 3.84Å; V28-F135 HydrophobicContact CG2-CD2 4.44Å; V28-F135 HydrophobicContact CG2-CE2 3.73Å; V28-F135 HydrophobicContact CG2-CZ 4.37Å; V28-L381 HydrophobicContact CB-CD1 4.41Å; V28-L381 HydrophobicContact CG1-CD1 4.1Å; V28-P382 VanDerWaalsContact CG1-CD 3.5Å; V28-P382 HydrophobicContact CG1-CG 3.92Å
29T94.9Very high94Very high46 Ų4656 Ų5628%0.28229%0.287SS..Hα-helixtrans-62.6-42.7178.8-52.30000110.9I25 F31 I32 V33I25-T29 VanDerWaalsContact O-CB 3.3Å; I25-T29 WeakPolarHBondContact O-CB 3.29Å; I25-T29 PolarHBondContact O-N 3.43Å; I25-T29 PolarHBondContact O-OG1 2.93Å; T29-F31 PolarHBondContact O-N 3.15Å; T29-I32 PolarHBondContact O-N 2.85Å; T29-V33 HydrophobicContact CG2-CG2 4.32Å; T29-V33 WeakPolarHBondContact O-CB 3.34Å; T29-V33 VanDerWaalsContact O-CG2 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.48Å; T29-V33 PolarHBondContact O-N 3.43Å
30S94.8Very high94.2Very high60 Ų6053 Ų5342%0.4228%0.28SS..Hα-helixtrans-59.5-45174.8-175.70000111.7L26 S27 V28 V33 M34L26-S30 WeakPolarHBondContact O-CB 3.48Å; L26-S30 PolarHBondContact O-N 3.06Å; S27-S30 PolarHBondContact O-N 3.15Å; V28-S30 VanDerWaalsContact C-N 3.32Å; V28-S30 PolarHBondContact O-N 3.37Å; S30-V33 PolarHBondContact O-N 3.36Å; S30-M34 VanDerWaalsContact O-CB 3.24Å; S30-M34 WeakPolarHBondContact O-CB 3.49Å; S30-M34 PolarHBondContact O-N 3.48Å
31F95.8Very high94.4Very high5 Ų552.2 Ų52.22%0.02228%0.281CS..Hα-helixtrans-60.5-47.5176.6177.3-95.2000112.5S27 V28 T29 M34 F35 W128 I131 I226 F229S27-F31 WeakPolarHBondContact O-CB 3.49Å; S27-F31 PolarHBondContact O-N 3.24Å; V28-F31 WeakPolarHBondContact O-CB 3.14Å; V28-F31 PolarHBondContact O-N 2.96Å; T29-F31 PolarHBondContact O-N 3.15Å; F31-M34 HydrophobicContact CD2-CE 4.03Å; F31-M34 HydrophobicContact CE2-CE 4.24Å; F31-M34 PolarHBondContact O-N 2.72Å; F31-F35 PolarHBondContact O-N 2.91Å; F31-W128 HydrophobicContact CD2-CZ3 4.07Å; F31-I131 HydrophobicContact CB-CD1 3.69Å; F31-I131 HydrophobicContact CD2-CD1 4.19Å; F31-I131 HydrophobicContact CG-CD1 4.02Å; F31-I226 HydrophobicContact CD1-CD1 4.46Å; F31-I226 HydrophobicContact CE1-CB 4.48Å; F31-I226 HydrophobicContact CE1-CD1 4.14Å; F31-I226 HydrophobicContact CE1-CG1 3.94Å; F31-I226 HydrophobicContact CE1-CG2 4.23Å; F31-F229 HydrophobicContact CD2-CE1 4.47Å; F31-F229 HydrophobicContact CE2-CB 4.49Å; F31-F229 AromaticContact CE2-CD1 3.61Å; F31-F229 HydrophobicContact CE2-CD1 3.61Å; F31-F229 HydrophobicContact CE2-CD2 4.01Å; F31-F229 AromaticContact CE2-CE1 3.76Å; F31-F229 HydrophobicContact CE2-CE1 3.76Å; F31-F229 HydrophobicContact CE2-CE2 4.14Å; F31-F229 AromaticContact CE2-CG 3.76Å; F31-F229 HydrophobicContact CE2-CG 3.76Å; F31-F229 HydrophobicContact CE2-CZ 4.03Å; F31-F229 HydrophobicContact CZ-CB 4.2Å; F31-F229 HydrophobicContact CZ-CD1 4.17Å; F31-F229 HydrophobicContact CZ-CD2 4.23Å; F31-F229 AromaticContact CZ-CG 3.93Å; F31-F229 HydrophobicContact CZ-CG 3.93Å
32I94.5Very high94.6Very high0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-64.5-43.4178.8-62.8-60.8000111.2V28 T29 F35 L36 F224 I226 F346 P382V28-I32 HydrophobicContact CG1-CG1 4.35Å; V28-I32 VanDerWaalsContact O-CG1 3.32Å; V28-I32 WeakPolarHBondContact O-CG1 3.27Å; V28-I32 PolarHBondContact O-N 3.38Å; T29-I32 PolarHBondContact O-N 2.85Å; I32-F35 PolarHBondContact O-N 2.83Å; I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.35Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.46Å; I32-F224 HydrophobicContact CD1-CD2 3.58Å; I32-F224 HydrophobicContact CD1-CE2 3.64Å; I32-F224 HydrophobicContact CD1-CG 4.4Å; I32-F224 HydrophobicContact CD1-CZ 4.47Å; I32-F224 HydrophobicContact CG2-CE2 4.33Å; I32-F224 HydrophobicContact CG2-CZ 4.43Å; I32-I226 HydrophobicContact CD1-CD1 3.94Å; I32-F346 HydrophobicContact CD1-CZ 3.95Å; I32-P382 HydrophobicContact CD1-CG 4.02Å; I32-P382 HydrophobicContact CG1-CG 3.95Å
33V94.1Very high94.7Very high61 Ų6149.2 Ų49.237%0.3726%0.261SS..Hα-helixtrans-63.6-42176.8168.40000111.1T29 S30 F35 L36 F37T29-V33 HydrophobicContact CG2-CG2 4.32Å; T29-V33 WeakPolarHBondContact O-CB 3.34Å; T29-V33 VanDerWaalsContact O-CG2 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.48Å; T29-V33 PolarHBondContact O-N 3.43Å; S30-V33 PolarHBondContact O-N 3.36Å; V33-F35 VanDerWaalsContact C-N 3.35Å; V33-L36 PolarHBondContact O-N 3.43Å; V33-F37 HydrophobicContact CG1-CD2 4.21Å; V33-F37 WeakPolarHBondContact O-CA 3.44Å; V33-F37 WeakPolarHBondContact O-CB 3.49Å; V33-F37 PolarHBondContact O-N 2.96Å
34M92.6Very high94.7Very high44 Ų4451.2 Ų51.222%0.21728%0.275CS..Hα-helixtrans-62-42175.3-178.7-162.373.500111.5S30 F31 G38 Y262 L265S30-M34 VanDerWaalsContact O-CB 3.24Å; S30-M34 WeakPolarHBondContact O-CB 3.49Å; S30-M34 PolarHBondContact O-N 3.48Å; F31-M34 HydrophobicContact CD2-CE 4.03Å; F31-M34 HydrophobicContact CE2-CE 4.24Å; F31-M34 PolarHBondContact O-N 2.72Å; M34-G38 WeakPolarHBondContact O-CA 3.4Å; M34-G38 PolarHBondContact O-N 3.24Å; M34-Y262 HydrophobicContact CG-CE2 4.46Å; M34-L265 HydrophobicContact CG-CD2 4.29Å; M34-L265 HydrophobicContact SD-CD2 3.77Å
35F89.3Confident94.7Very high75 Ų7554.2 Ų54.233%0.32929%0.291SS..Hα-helixtrans-66.8-47177.7-168.8-77.7000111.7F31 I32 V33 F224F31-F35 PolarHBondContact O-N 2.91Å; I32-F35 PolarHBondContact O-N 2.83Å; V33-F35 VanDerWaalsContact C-N 3.35Å; F35-F224 AromaticContact CD1-CD1 3.27Å; F35-F224 HydrophobicContact CD1-CD1 3.27Å; F35-F224 AromaticContact CD1-CE1 3.31Å; F35-F224 HydrophobicContact CD1-CE1 3.31Å; F35-F224 HydrophobicContact CD1-CG 4.44Å; F35-F224 HydrophobicContact CD2-CD1 4.32Å; F35-F224 AromaticContact CE1-CD1 3.33Å; F35-F224 HydrophobicContact CE1-CD1 3.33Å; F35-F224 AromaticContact CE1-CE1 3.62Å; F35-F224 HydrophobicContact CE1-CE1 3.62Å; F35-F224 HydrophobicContact CE2-CD1 4.35Å; F35-F224 AromaticContact CG-CD1 3.81Å; F35-F224 HydrophobicContact CG-CD1 3.81Å; F35-F224 HydrophobicContact CG-CE1 4.11Å; F35-F224 AromaticContact CZ-CD1 3.89Å; F35-F224 HydrophobicContact CZ-CD1 3.89Å
36L89.7Confident94.7Very high55 Ų5552.8 Ų52.829%0.28828%0.282SS..Hα-helixtrans-73-40.2-176-72.2174.7000113.4I32 V33 F224 F375 L380I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.35Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.46Å; V33-L36 PolarHBondContact O-N 3.43Å; L36-F224 HydrophobicContact CD1-CZ 4.37Å; L36-F224 HydrophobicContact CD2-CE1 3.83Å; L36-F224 HydrophobicContact CD2-CZ 3.79Å; L36-F224 HydrophobicContact CG-CE1 4.26Å; L36-F224 HydrophobicContact CG-CZ 4.03Å; L36-F375 HydrophobicContact CD1-CZ 4.2Å; L36-F375 HydrophobicContact CD2-CE1 4.44Å; L36-F375 HydrophobicContact CD2-CZ 4.13Å; L36-L380 HydrophobicContact CD1-CD2 4.04Å
37F93.2Very high94.8Very high98 Ų9851.2 Ų51.243%0.4327%0.273SS..Hα-helixtrans-120.4-8.5-168.5-55.6-68.9000113.6V33 A39 T40 T41V33-F37 HydrophobicContact CG1-CD2 4.21Å; V33-F37 WeakPolarHBondContact O-CA 3.44Å; V33-F37 WeakPolarHBondContact O-CB 3.49Å; V33-F37 PolarHBondContact O-N 2.96Å; F37-A39 PolarHBondContact O-N 2.89Å; F37-T40 WeakPolarHBondContact CA-OG1 3.2Å; F37-T40 PolarHBondContact O-N 3.33Å; F37-T40 PolarHBondContact O-OG1 2.82Å; F37-T41 HydrophobicContact CB-CG2 4.2Å; F37-T41 WeakPolarHBondContact O-CB 3.32Å; F37-T41 VanDerWaalsContact O-CG2 3.27Å; F37-T41 WeakPolarHBondContact O-CG2 3.49Å; F37-T41 PolarHBondContact O-N 3.31Å; F37-T41 PolarHBondContact O-OG1 2.91Å
38G93.9Very high94.8Very high7 Ų756.8 Ų56.87%0.07229%0.294CS..Hα-helixtrans-55.8-54.1-176.200000112.8M34 T40 T41 C42M34-G38 WeakPolarHBondContact O-CA 3.4Å; M34-G38 PolarHBondContact O-N 3.24Å; G38-T40 PolarHBondContact O-N 3.34Å; G38-T41 PolarHBondContact O-N 3.48Å; G38-T41 PolarHBondContact O-OG1 3.33Å; G38-C42 WeakPolarHBondContact O-CB 3.48Å; G38-C42 PolarHBondContact O-N 3.44Å; G38-C42 PolarHBondContact O-SG 3.01Å
39A94Very high94.7Very high26 Ų2657.6 Ų57.622%0.21530%0.298CS..Hα-helixtrans-58.8-45.3177.500000112.4F37 C42 W43 A259 Y262F37-A39 PolarHBondContact O-N 2.89Å; A39-C42 PolarHBondContact O-N 3.44Å; A39-W43 VanDerWaalsContact O-CD1 3.25Å; A39-W43 PolarHBondContact O-N 2.95Å; A39-A259 HydrophobicContact CB-CB 3.9Å; A39-Y262 HydrophobicContact CB-CD1 3.71Å; A39-Y262 HydrophobicContact CB-CE1 3.93Å; A39-Y262 HydrophobicContact CB-CG 4.2Å
40T93.8Very high94.8Very high71 Ų7158.5 Ų58.544%0.43630%0.301SS..Hα-helixtrans-66.1-42.3-178.3620000112.6F37 G38 C42 W43 L44F37-T40 WeakPolarHBondContact CA-OG1 3.2Å; F37-T40 PolarHBondContact O-N 3.33Å; F37-T40 PolarHBondContact O-OG1 2.82Å; G38-T40 PolarHBondContact O-N 3.34Å; T40-C42 VanDerWaalsContact C-N 3.34Å; T40-C42 PolarHBondContact O-N 3.2Å; T40-W43 PolarHBondContact O-N 3.46Å; T40-L44 WeakPolarHBondContact O-CG 3.34Å; T40-L44 PolarHBondContact O-N 3Å
41T96.1Very high94.9Very high75 Ų7560.6 Ų60.646%0.4631%0.306SS..Hα-helixtrans-66.1-39.5178.752.50000110.7F37 G38 L44 L45F37-T41 HydrophobicContact CB-CG2 4.2Å; F37-T41 WeakPolarHBondContact O-CB 3.32Å; F37-T41 VanDerWaalsContact O-CG2 3.27Å; F37-T41 WeakPolarHBondContact O-CG2 3.49Å; F37-T41 PolarHBondContact O-N 3.31Å; F37-T41 PolarHBondContact O-OG1 2.91Å; G38-T41 PolarHBondContact O-N 3.48Å; G38-T41 PolarHBondContact O-OG1 3.33Å; T41-L44 PolarHBondContact O-N 3.45Å; T41-L45 WeakPolarHBondContact O-CB 3.32Å; T41-L45 PolarHBondContact O-N 2.78Å
42C97Very high94.9Very high22 Ų2263.4 Ų63.415%0.14932%0.318CS..Hα-helixtrans-69.1-37.1175.1-63.70000113.2G38 A39 T40 L45 W46 P260 F261G38-C42 WeakPolarHBondContact O-CB 3.48Å; G38-C42 PolarHBondContact O-N 3.44Å; G38-C42 PolarHBondContact O-SG 3.01Å; A39-C42 PolarHBondContact O-N 3.44Å; T40-C42 VanDerWaalsContact C-N 3.34Å; T40-C42 PolarHBondContact O-N 3.2Å; C42-L45 PolarHBondContact O-N 3.33Å; C42-W46 WeakPolarHBondContact O-CB 3.35Å; C42-W46 PolarHBondContact O-N 3.02Å; C42-P260 WeakPolarHBondContact CB-O 3.22Å; C42-F261 HydrophobicContact CB-CB 4.42Å; C42-F261 HydrophobicContact CB-CD2 4.44Å
43W96.3Very high95Very high112 Ų11265.8 Ų65.842%0.42433%0.329SS..Hα-helixtrans-60.4-46.8170.3-88.1118.5000112.2A39 T40 L45 W46 I47 K258 A259 P260A39-W43 VanDerWaalsContact O-CD1 3.25Å; A39-W43 PolarHBondContact O-N 2.95Å; T40-W43 PolarHBondContact O-N 3.46Å; W43-L45 VanDerWaalsContact C-N 3.32Å; W43-L45 PolarHBondContact O-N 3.25Å; W43-W46 PolarHBondContact O-N 3.35Å; W43-I47 WeakPolarHBondContact O-CB 3.29Å; W43-I47 VanDerWaalsContact O-CG1 3.3Å; W43-I47 WeakPolarHBondContact O-CG1 3.42Å; W43-I47 PolarHBondContact O-N 3.31Å; W43-K258 HydrophobicContact CZ2-CB 4.37Å; W43-K258 WeakPolarHBondContact CZ2-O 3.38Å; W43-A259 HydrophobicContact CG-CB 4.37Å; W43-P260 HydrophobicContact CZ3-CG 4.38Å
44L97.3Very high95.1Very high117 Ų11767.8 Ų67.861%0.61334%0.336SS*.Hα-helixtrans-61.4-41.2177.4-71.6174.2000111.7T40 T41 I47 Y48T40-L44 WeakPolarHBondContact O-CG 3.34Å; T40-L44 PolarHBondContact O-N 3Å; T41-L44 PolarHBondContact O-N 3.45Å; L44-I47 PolarHBondContact O-N 2.86Å; L44-Y48 VanDerWaalsContact O-CB 3.23Å; L44-Y48 WeakPolarHBondContact O-CB 3.38Å; L44-Y48 PolarHBondContact O-N 3.04Å
45L96Very high95.3Very high83 Ų8372.2 Ų72.244%0.43535%0.354SS..Hα-helixtrans-60.9-46.9174.2179.762.8000111.2T41 C42 W43 Y48 L49 F261T41-L45 WeakPolarHBondContact O-CB 3.32Å; T41-L45 PolarHBondContact O-N 2.78Å; C42-L45 PolarHBondContact O-N 3.33Å; W43-L45 VanDerWaalsContact C-N 3.32Å; W43-L45 PolarHBondContact O-N 3.25Å; L45-Y48 WeakPolarHBondContact O-CB 3.35Å; L45-Y48 PolarHBondContact O-N 2.84Å; L45-L49 HydrophobicContact CG-CD1 4.48Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.41Å; L45-F261 HydrophobicContact CD2-CD2 4.15Å; L45-F261 HydrophobicContact CD2-CE2 4.02Å; L45-F261 HydrophobicContact CG-CE2 4.33Å
46W96Very high95.6Very high30 Ų3069.1 Ų69.111%0.11434%0.341CS..Hα-helixtrans-63.1-44.8179-170-110.1000112.6C42 W43 Y48 L49 I50 I98 Y101 P260 F261C42-W46 WeakPolarHBondContact O-CB 3.35Å; C42-W46 PolarHBondContact O-N 3.02Å; W43-W46 PolarHBondContact O-N 3.35Å; W46-Y48 PolarHBondContact O-N 2.86Å; W46-L49 HydrophobicContact CE3-CD1 4.31Å; W46-L49 PolarHBondContact O-N 3.44Å; W46-I50 WeakPolarHBondContact O-CG1 3.33Å; W46-I50 PolarHBondContact O-N 3.47Å; W46-I50 VanDerWaalsContact O-N 3.12Å; W46-I98 HydrophobicContact CH2-CB 4.4Å; W46-I98 HydrophobicContact CH2-CG1 4.32Å; W46-I98 HydrophobicContact CH2-CG2 4.18Å; W46-I98 HydrophobicContact CZ2-CG2 4.26Å; W46-Y101 HydrophobicContact CE3-CD1 4.37Å; W46-Y101 AromaticContact CH2-CD1 3.34Å; W46-Y101 HydrophobicContact CH2-CD1 3.34Å; W46-Y101 HydrophobicContact CH2-CE1 4.19Å; W46-Y101 HydrophobicContact CH2-CG 4Å; W46-Y101 HydrophobicContact CZ2-CD1 4.06Å; W46-Y101 AromaticContact CZ3-CD1 3.51Å; W46-Y101 HydrophobicContact CZ3-CD1 3.51Å; W46-Y101 HydrophobicContact CZ3-CE1 4.16Å; W46-Y101 AromaticContact CZ3-CG 3.99Å; W46-Y101 HydrophobicContact CZ3-CG 3.99Å; W46-P260 HydrophobicContact CB-CB 4.23Å; W46-P260 HydrophobicContact CB-CG 4.05Å; W46-P260 HydrophobicContact CD2-CB 4.01Å; W46-P260 HydrophobicContact CD2-CG 3.95Å; W46-P260 HydrophobicContact CE3-CB 4.15Å; W46-P260 HydrophobicContact CG-CB 4.05Å; W46-P260 HydrophobicContact CG-CG 3.67Å; W46-F261 AromaticContact CE3-CE2 3.71Å; W46-F261 HydrophobicContact CE3-CE2 3.71Å; W46-F261 AromaticContact CE3-CZ 3.65Å; W46-F261 HydrophobicContact CE3-CZ 3.65Å; W46-F261 HydrophobicContact CZ3-CE2 4.36Å; W46-F261 AromaticContact CZ3-CZ 3.83Å; W46-F261 HydrophobicContact CZ3-CZ 3.83Å
47I96.7Very high95.9Very high79 Ų7972 Ų7241%0.40535%0.352SS..Hα-helixtrans-62.4-43175.4-68.9166.4000110.7W43 L44 L49 I50 I51W43-I47 WeakPolarHBondContact O-CB 3.29Å; W43-I47 VanDerWaalsContact O-CG1 3.3Å; W43-I47 WeakPolarHBondContact O-CG1 3.42Å; W43-I47 PolarHBondContact O-N 3.31Å; L44-I47 PolarHBondContact O-N 2.86Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 2.87Å; I47-I50 PolarHBondContact O-N 3.49Å; I47-I51 HydrophobicContact CG2-CD1 3.66Å; I47-I51 HydrophobicContact CG2-CG1 4.24Å; I47-I51 WeakPolarHBondContact O-CG1 3.47Å; I47-I51 PolarHBondContact O-N 3Å
48Y96.6Very high96Very high126 Ų12674.6 Ų74.649%0.49436%0.36SS..Hα-helixtrans-57-43.4175.5167.2-95.5000111.8L44 L45 W46 I51 K52L44-Y48 VanDerWaalsContact O-CB 3.23Å; L44-Y48 WeakPolarHBondContact O-CB 3.38Å; L44-Y48 PolarHBondContact O-N 3.04Å; L45-Y48 WeakPolarHBondContact O-CB 3.35Å; L45-Y48 PolarHBondContact O-N 2.84Å; W46-Y48 PolarHBondContact O-N 2.86Å; Y48-I51 PolarHBondContact O-N 2.85Å; Y48-K52 HydrophobicContact CE1-CD 4.09Å; Y48-K52 VanDerWaalsContact O-CB 3.25Å; Y48-K52 WeakPolarHBondContact O-CB 3.25Å; Y48-K52 PolarHBondContact O-N 2.92Å
49L96.5Very high95.9Very high17 Ų1776.8 Ų76.89%0.08937%0.369CS..Hα-helixtrans-63-42177.5-67.8171.3000112.1L45 W46 I47 K52 F53 M97 I98 F261L45-L49 HydrophobicContact CG-CD1 4.48Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.41Å; W46-L49 HydrophobicContact CE3-CD1 4.31Å; W46-L49 PolarHBondContact O-N 3.44Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 2.87Å; L49-K52 PolarHBondContact O-N 2.72Å; L49-F53 WeakPolarHBondContact O-CB 3.23Å; L49-F53 PolarHBondContact O-N 3.02Å; L49-M97 HydrophobicContact CB-CE 4.49Å; L49-M97 HydrophobicContact CD1-CE 3.37Å; L49-M97 HydrophobicContact CD1-SD 4.39Å; L49-M97 HydrophobicContact CD2-CE 3.43Å; L49-M97 VanDerWaalsContact CD2-CE 3.43Å; L49-M97 HydrophobicContact CG-CE 3.89Å; L49-I98 HydrophobicContact CB-CD1 4.35Å; L49-F261 HydrophobicContact CD1-CZ 4.42Å
50I96.2Very high95.8Very high65 Ų6576 Ų7633%0.33336%0.361SS..Hα-helixtrans-65.2-46.1176.1-66.2168.6000111.2W46 I47 K52 F53 I54 I98W46-I50 WeakPolarHBondContact O-CG1 3.33Å; W46-I50 PolarHBondContact O-N 3.47Å; W46-I50 VanDerWaalsContact O-N 3.12Å; I47-I50 PolarHBondContact O-N 3.49Å; I50-K52 VanDerWaalsContact C-N 3.32Å; I50-K52 PolarHBondContact O-N 3.47Å; I50-F53 WeakPolarHBondContact O-CB 3.42Å; I50-F53 PolarHBondContact O-N 3.23Å; I50-I54 HydrophobicContact CG2-CD1 3.93Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 2.88Å; I50-I98 HydrophobicContact CG1-CD1 4.37Å
51I96.9Very high95.6Very high104 Ų10474.7 Ų74.753%0.53335%0.353SS..Hα-helixtrans-61.5-43.6177.5-68.7171000110.3I47 Y48 F53 I54 K55I47-I51 HydrophobicContact CG2-CD1 3.66Å; I47-I51 HydrophobicContact CG2-CG1 4.24Å; I47-I51 WeakPolarHBondContact O-CG1 3.47Å; I47-I51 PolarHBondContact O-N 3Å; Y48-I51 PolarHBondContact O-N 2.85Å; I51-F53 VanDerWaalsContact C-N 3.33Å; I51-F53 PolarHBondContact O-N 3.43Å; I51-I54 PolarHBondContact O-N 2.94Å; I51-K55 WeakPolarHBondContact O-CB 3.18Å; I51-K55 PolarHBondContact O-N 2.9Å
52K96.7Very high95.3Very high64 Ų6474 Ų7428%0.27835%0.346SS..Hα-helixtrans-63-40.8177.5-171.6173177.8-177.20111.3Y48 L49 I50 K55 L56 I94Y48-K52 HydrophobicContact CE1-CD 4.09Å; Y48-K52 VanDerWaalsContact O-CB 3.25Å; Y48-K52 WeakPolarHBondContact O-CB 3.25Å; Y48-K52 PolarHBondContact O-N 2.92Å; L49-K52 PolarHBondContact O-N 2.72Å; I50-K52 VanDerWaalsContact C-N 3.32Å; I50-K52 PolarHBondContact O-N 3.47Å; K52-K55 PolarHBondContact O-N 3.12Å; K52-L56 HydrophobicContact CG-CD1 4.09Å; K52-L56 WeakPolarHBondContact O-CB 3.43Å; K52-L56 VanDerWaalsContact O-CG 3.29Å; K52-L56 WeakPolarHBondContact O-CG 3.26Å; K52-L56 PolarHBondContact O-N 3.44Å; K52-I94 HydrophobicContact CB-CD1 4.28Å; K52-I94 HydrophobicContact CD-CD1 3.48Å; K52-I94 VanDerWaalsContact CD-CD1 3.48Å; K52-I94 HydrophobicContact CG-CD1 3.64Å
53F96.6Very high94.8Very high51 Ų5175.1 Ų75.122%0.22435%0.35CS..Hα-helixtrans-58.9-51.4173.9174.2-101000112.1L49 I50 I51 K55 L56 F57 F91 I94 L95 I98L49-F53 WeakPolarHBondContact O-CB 3.23Å; L49-F53 PolarHBondContact O-N 3.02Å; I50-F53 WeakPolarHBondContact O-CB 3.42Å; I50-F53 PolarHBondContact O-N 3.23Å; I51-F53 VanDerWaalsContact C-N 3.33Å; I51-F53 PolarHBondContact O-N 3.43Å; F53-K55 VanDerWaalsContact C-N 3.34Å; F53-K55 PolarHBondContact O-N 3.25Å; F53-L56 PolarHBondContact O-N 2.9Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 3.4Å; F53-F91 AromaticContact CD2-CD2 3.92Å; F53-F91 HydrophobicContact CD2-CD2 3.92Å; F53-F91 AromaticContact CD2-CE2 3.55Å; F53-F91 HydrophobicContact CD2-CE2 3.55Å; F53-F91 HydrophobicContact CD2-CZ 4.31Å; F53-F91 AromaticContact CE2-CD2 3.85Å; F53-F91 HydrophobicContact CE2-CD2 3.85Å; F53-F91 HydrophobicContact CE2-CE1 4.39Å; F53-F91 AromaticContact CE2-CE2 3.07Å; F53-F91 HydrophobicContact CE2-CE2 3.07Å; F53-F91 AromaticContact CE2-CZ 3.41Å; F53-F91 HydrophobicContact CE2-CZ 3.41Å; F53-F91 VanDerWaalsContact CE2-CZ 3.41Å; F53-F91 HydrophobicContact CG-CE2 4.43Å; F53-F91 AromaticContact CZ-CE2 3.64Å; F53-F91 HydrophobicContact CZ-CE2 3.64Å; F53-F91 AromaticContact CZ-CZ 3.81Å; F53-F91 HydrophobicContact CZ-CZ 3.81Å; F53-I94 HydrophobicContact CB-CG2 3.87Å; F53-I94 HydrophobicContact CD2-CG2 4.4Å; F53-L95 HydrophobicContact CD2-CB 4.31Å; F53-L95 HydrophobicContact CE2-CB 3.82Å; F53-L95 HydrophobicContact CE2-CD1 3.56Å; F53-L95 HydrophobicContact CE2-CG 4.17Å; F53-L95 HydrophobicContact CZ-CD1 3.82Å; F53-I98 HydrophobicContact CB-CD1 4.11Å; F53-I98 HydrophobicContact CG-CD1 4.45Å
54I96.3Very high94.3Very high102 Ų10272.7 Ų72.752%0.52335%0.345SS..Hα-helixtrans-61.4-43.1178.9-65.7167.1000111I50 I51 F57 Y58I50-I54 HydrophobicContact CG2-CD1 3.93Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 2.88Å; I51-I54 PolarHBondContact O-N 2.94Å; I54-F57 WeakPolarHBondContact O-CB 3.14Å; I54-F57 PolarHBondContact O-N 3.5Å; I54-Y58 WeakPolarHBondContact O-CB 3.42Å; I54-Y58 PolarHBondContact O-N 3.2Å
55K95.9Very high93.7Very high138 Ų13872.3 Ų72.360%0.634%0.342SS*.Hα-helixtrans-62.3-44.8178.1-176.7178.3178.7179.80111.8I51 K52 F53 Y58 I59I51-K55 WeakPolarHBondContact O-CB 3.18Å; I51-K55 PolarHBondContact O-N 2.9Å; K52-K55 PolarHBondContact O-N 3.12Å; F53-K55 VanDerWaalsContact C-N 3.34Å; F53-K55 PolarHBondContact O-N 3.25Å; K55-Y58 PolarHBondContact O-N 3.38Å; K55-I59 HydrophobicContact CG-CD1 3.94Å; K55-I59 VanDerWaalsContact O-CG1 3.29Å; K55-I59 WeakPolarHBondContact O-CG1 3.37Å; K55-I59 PolarHBondContact O-N 3.49Å
56L96.1Very high93Very high10 Ų1076 Ų765%0.05236%0.359CS..Hα-helixtrans-63.8-43.7176.9-75.6167.3000111.2K52 F53 Y58 I59 I60 L87 Q90 F91 I94K52-L56 HydrophobicContact CG-CD1 4.09Å; K52-L56 WeakPolarHBondContact O-CB 3.43Å; K52-L56 VanDerWaalsContact O-CG 3.29Å; K52-L56 WeakPolarHBondContact O-CG 3.26Å; K52-L56 PolarHBondContact O-N 3.44Å; F53-L56 PolarHBondContact O-N 2.9Å; L56-Y58 VanDerWaalsContact C-N 3.32Å; L56-Y58 PolarHBondContact O-N 3.02Å; L56-I59 PolarHBondContact O-N 2.72Å; L56-I60 WeakPolarHBondContact O-CB 3.25Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.86Å; L56-L87 HydrophobicContact CD2-CD2 3.68Å; L56-Q90 HydrophobicContact CD1-CB 4.03Å; L56-Q90 HydrophobicContact CD2-CB 4.46Å; L56-F91 HydrophobicContact CB-CB 4.15Å; L56-F91 HydrophobicContact CB-CD2 3.94Å; L56-F91 HydrophobicContact CD1-CB 4.4Å; L56-I94 HydrophobicContact CD1-CD1 3.74Å
57F95.3Very high92.2Very high115 Ų11577.1 Ų77.150%0.50437%0.367SS..Hα-helixtrans-56.1-47.2175-176.5-105.4000111.8F53 I54 T61 F91F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 3.4Å; I54-F57 WeakPolarHBondContact O-CB 3.14Å; I54-F57 PolarHBondContact O-N 3.5Å; F57-T61 WeakPolarHBondContact O-CB 3.31Å; F57-T61 PolarHBondContact O-N 2.88Å; F57-T61 PolarHBondContact O-OG1 3.3Å; F57-F91 HydrophobicContact CB-CD2 4.43Å; F57-F91 HydrophobicContact CB-CE2 3.79Å; F57-F91 HydrophobicContact CD2-CE2 4Å; F57-F91 AromaticContact CD2-CZ 3.92Å; F57-F91 HydrophobicContact CD2-CZ 3.92Å; F57-F91 HydrophobicContact CG-CE2 4.38Å
58Y94.8Very high91.2Very high153 Ų15377.7 Ų77.760%0.637%0.371SS*.Hα-helixtrans-62.5-46.7178.9176.6-102.6000112.7I54 K55 L56 T61 N62I54-Y58 WeakPolarHBondContact O-CB 3.42Å; I54-Y58 PolarHBondContact O-N 3.2Å; K55-Y58 PolarHBondContact O-N 3.38Å; L56-Y58 VanDerWaalsContact C-N 3.32Å; L56-Y58 PolarHBondContact O-N 3.02Å; Y58-T61 PolarHBondContact O-N 3.31Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.3Å; Y58-N62 VanDerWaalsContact CE2-ND2 3.35Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.48Å; Y58-N62 WeakPolarHBondContact O-CB 3.33Å; Y58-N62 PolarHBondContact O-N 3.49Å; Y58-N62 PolarHBondContact OH-ND2 2.86Å
59I93Very high90.1Very high52 Ų5277.7 Ų77.727%0.26738%0.375SS..Hα-helixtrans-62.2-48.3179.2-67.7166.9000110.6K55 L56 N62 Q63 L87K55-I59 HydrophobicContact CG-CD1 3.94Å; K55-I59 VanDerWaalsContact O-CG1 3.29Å; K55-I59 WeakPolarHBondContact O-CG1 3.37Å; K55-I59 PolarHBondContact O-N 3.49Å; L56-I59 PolarHBondContact O-N 2.72Å; I59-N62 PolarHBondContact O-N 3.04Å; I59-Q63 HydrophobicContact CG2-CG 4.49Å; I59-Q63 WeakPolarHBondContact O-CB 3.35Å; I59-Q63 WeakPolarHBondContact O-CG 3.48Å; I59-Q63 PolarHBondContact O-N 3.44Å; I59-L87 HydrophobicContact CG2-CD1 3.8Å
60I91Very high88.8Confident9 Ų980.8 Ų80.85%0.04639%0.392CS..Hα-helixtrans-59.7-48.8178.9-72.4167.9000110.3L56 N62 Q63 L64 L87 F88 F91L56-I60 WeakPolarHBondContact O-CB 3.25Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.86Å; I60-N62 VanDerWaalsContact C-N 3.33Å; I60-N62 PolarHBondContact O-N 3.48Å; I60-Q63 PolarHBondContact O-N 3.37Å; I60-L64 HydrophobicContact CG2-CD1 3.95Å; I60-L64 HydrophobicContact CG2-CG 4.36Å; I60-L64 WeakPolarHBondContact O-CB 3.23Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.39Å; I60-L64 PolarHBondContact O-N 3.22Å; I60-L87 HydrophobicContact CD1-CB 4.49Å; I60-L87 HydrophobicContact CG1-CB 4.2Å; I60-F88 HydrophobicContact CD1-CD1 4.15Å; I60-F88 HydrophobicContact CD1-CD2 4.46Å; I60-F88 HydrophobicContact CD1-CE1 4.43Å; I60-F88 HydrophobicContact CD1-CG 4.19Å; I60-F88 HydrophobicContact CG1-CD2 4.44Å; I60-F88 HydrophobicContact CG1-CE2 4.42Å; I60-F88 HydrophobicContact CG2-CD1 4.35Å; I60-F88 HydrophobicContact CG2-CD2 4.36Å; I60-F88 HydrophobicContact CG2-CE1 3.61Å; I60-F88 HydrophobicContact CG2-CE2 3.6Å; I60-F88 HydrophobicContact CG2-CZ 3.2Å; I60-F91 HydrophobicContact CD1-CB 3.55Å; I60-F91 HydrophobicContact CD1-CD1 4.33Å; I60-F91 HydrophobicContact CD1-CD2 4.36Å; I60-F91 HydrophobicContact CD1-CG 3.83Å
61T90.5Very high87.4Confident45 Ų4579.7 Ų79.728%0.27639%0.386SS..Hα-helixtrans-59-44.7179.5-55.40000111.5F57 Y58 L64 I65F57-T61 WeakPolarHBondContact O-CB 3.31Å; F57-T61 PolarHBondContact O-N 2.88Å; F57-T61 PolarHBondContact O-OG1 3.3Å; Y58-T61 PolarHBondContact O-N 3.31Å; T61-L64 PolarHBondContact O-N 3.37Å; T61-I65 HydrophobicContact CG2-CD1 3.85Å; T61-I65 VanDerWaalsContact O-CG1 3.26Å; T61-I65 WeakPolarHBondContact O-CG1 3.45Å; T61-I65 PolarHBondContact O-N 2.89Å
62N90.1Very high86.1Confident59 Ų5980.1 Ų80.132%0.31639%0.389SS..Hα-helixtrans-65.7-41.2177.5-76.1-17.8000112.9Y58 I59 I60 L64 I65 M66Y58-N62 WeakPolarHBondContact CE1-ND2 3.3Å; Y58-N62 VanDerWaalsContact CE2-ND2 3.35Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.48Å; Y58-N62 WeakPolarHBondContact O-CB 3.33Å; Y58-N62 PolarHBondContact O-N 3.49Å; Y58-N62 PolarHBondContact OH-ND2 2.86Å; I59-N62 PolarHBondContact O-N 3.04Å; I60-N62 VanDerWaalsContact C-N 3.33Å; I60-N62 PolarHBondContact O-N 3.48Å; N62-L64 VanDerWaalsContact C-N 3.31Å; N62-L64 PolarHBondContact O-N 2.82Å; N62-I65 PolarHBondContact O-N 3.22Å; N62-M66 WeakPolarHBondContact O-CB 3.1Å; N62-M66 VanDerWaalsContact O-CG 3.27Å; N62-M66 WeakPolarHBondContact O-CG 3.44Å; N62-M66 PolarHBondContact O-N 3.45Å
63Q86Confident85Confident47 Ų4785.2 Ų85.222%0.2241%0.407CS..Hα-helixtrans-64.5-38.1176.8-76.3-177.7-29.400111.7I59 I60 N67 L84 L87I59-Q63 HydrophobicContact CG2-CG 4.49Å; I59-Q63 WeakPolarHBondContact O-CB 3.35Å; I59-Q63 WeakPolarHBondContact O-CG 3.48Å; I59-Q63 PolarHBondContact O-N 3.44Å; I60-Q63 PolarHBondContact O-N 3.37Å; Q63-N67 VanDerWaalsContact O-CB 3.26Å; Q63-N67 WeakPolarHBondContact O-CB 3.44Å; Q63-N67 PolarHBondContact O-N 3.39Å; Q63-N67 PolarHBondContact O-ND2 2.9Å; Q63-L84 HydrophobicContact CB-CD1 4.05Å; Q63-L87 VanDerWaalsContact OE1-CD1 3.31Å
64L85Confident84Confident60 Ų6086.2 Ų86.231%0.31442%0.415SS..Hα-helixtrans-64.5-43173.5-71.7174.3000112.1I60 T61 N62 N68 I71 F78 F88I60-L64 HydrophobicContact CG2-CD1 3.95Å; I60-L64 HydrophobicContact CG2-CG 4.36Å; I60-L64 WeakPolarHBondContact O-CB 3.23Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.39Å; I60-L64 PolarHBondContact O-N 3.22Å; T61-L64 PolarHBondContact O-N 3.37Å; N62-L64 VanDerWaalsContact C-N 3.31Å; N62-L64 PolarHBondContact O-N 2.82Å; L64-N68 WeakPolarHBondContact O-CA 3.29Å; L64-N68 WeakPolarHBondContact O-CB 3.48Å; L64-N68 PolarHBondContact O-N 3.39Å; L64-I71 HydrophobicContact CD2-CD1 3.85Å; L64-F78 HydrophobicContact CD2-CD2 4.37Å; L64-F78 HydrophobicContact CD2-CE2 3.75Å; L64-F88 HydrophobicContact CD1-CZ 4.14Å; L64-F88 HydrophobicContact CD2-CZ 4.43Å; L64-F88 HydrophobicContact CG-CZ 4.48Å
65I85.5Confident82.8Confident110 Ų11085.2 Ų85.256%0.56442%0.415SS*.Hα-helixtrans-65.1-48.1178.5-69.5166.5000111T61 N62 N67 N68T61-I65 HydrophobicContact CG2-CD1 3.85Å; T61-I65 VanDerWaalsContact O-CG1 3.26Å; T61-I65 WeakPolarHBondContact O-CG1 3.45Å; T61-I65 PolarHBondContact O-N 2.89Å; N62-I65 PolarHBondContact O-N 3.22Å; I65-N67 PolarHBondContact O-N 2.91Å; I65-N68 VanDerWaalsContact O-CB 3.3Å; I65-N68 WeakPolarHBondContact O-CB 3.26Å; I65-N68 PolarHBondContact O-N 2.91Å
66M82.5Confident81.6Confident159 Ų15983.2 Ų83.278%0.78341%0.409SS*.Hα-helixtrans-67-36.3-178.1-66.3-63.8-79.200112.3N62N62-M66 WeakPolarHBondContact O-CB 3.1Å; N62-M66 VanDerWaalsContact O-CG 3.27Å; N62-M66 WeakPolarHBondContact O-CG 3.44Å; N62-M66 PolarHBondContact O-N 3.45Å
67N77.4Confident80.3Confident55 Ų5587.3 Ų87.329%0.29443%0.428SS..THydrogen-bonded Turntrans-93.68.9-179.9-63.7-20.6000113.2Q63 I65 H69 N70 I71Q63-N67 VanDerWaalsContact O-CB 3.26Å; Q63-N67 WeakPolarHBondContact O-CB 3.44Å; Q63-N67 PolarHBondContact O-N 3.39Å; Q63-N67 PolarHBondContact O-ND2 2.9Å; I65-N67 PolarHBondContact O-N 2.91Å; N67-H69 VanDerWaalsContact C-N 3.26Å; N67-H69 PolarHBondContact O-N 2.74Å; N67-N70 PolarHBondContact O-N 2.69Å; N67-I71 HydrophobicContact CB-CD1 3.85Å; N67-I71 HydrophobicContact CB-CG1 4.13Å; N67-I71 WeakPolarHBondContact O-CG1 3.23Å; N67-I71 PolarHBondContact O-N 2.96Å
68N75.9Confident79.1Confident90 Ų9084.6 Ų84.648%0.48142%0.416SS..Hα-helixtrans-54.2-42.8-172.3-171.936.5000112.3L64 I65 I71 I72L64-N68 WeakPolarHBondContact O-CA 3.29Å; L64-N68 WeakPolarHBondContact O-CB 3.48Å; L64-N68 PolarHBondContact O-N 3.39Å; I65-N68 VanDerWaalsContact O-CB 3.3Å; I65-N68 WeakPolarHBondContact O-CB 3.26Å; I65-N68 PolarHBondContact O-N 2.91Å; N68-I71 PolarHBondContact O-N 3.19Å; N68-I72 WeakPolarHBondContact O-CD1 3.36Å; N68-I72 WeakPolarHBondContact O-CG1 3.29Å; N68-I72 PolarHBondContact O-N 2.93Å; N68-I72 WeakPolarHBondContact OD1-CD1 3.39Å
69H73.9Confident77.9Confident126 Ų12682.1 Ų82.158%0.58341%0.412SS*.Hα-helixtrans-60-53176.5-154.6-85.1000110.8N67 I71 I72 Y73N67-H69 VanDerWaalsContact C-N 3.26Å; N67-H69 PolarHBondContact O-N 2.74Å; H69-I71 PolarHBondContact O-N 3.25Å; H69-I72 PolarHBondContact O-N 2.73Å; H69-Y73 AromaticContact CE1-CD2 3.75Å; H69-Y73 AromaticContact CE1-CE2 3.18Å; H69-Y73 WeakPolarHBondContact CE1-CE2 3.48Å; H69-Y73 AromaticContact ND1-CD2 3.55Å; H69-Y73 AromaticContact ND1-CE2 3.41Å; H69-Y73 WeakPolarHBondContact ND1-CE2 3.38Å; H69-Y73 AromaticContact NE2-CE2 3.65Å; H69-Y73 WeakPolarHBondContact O-CD2 3.04Å; H69-Y73 PolarHBondContact O-N 2.86Å
70N69.5Low76.9Confident83 Ų8388.1 Ų88.144%0.44443%0.433SS..Hα-helixtrans-62.8-38.9-179.2-66-2.7000113N67 Y73 N74N67-N70 PolarHBondContact O-N 2.69Å; N70-Y73 PolarHBondContact O-N 2.75Å; N70-N74 PolarHBondContact O-N 2.76Å
71I67.6Low76.4Confident41 Ų4190.4 Ų90.421%0.2145%0.445CS..Hα-helixtrans-66.9-39179.9-65.4168000111.2L64 N67 N68 H69 N74 F78L64-I71 HydrophobicContact CD2-CD1 3.85Å; N67-I71 HydrophobicContact CB-CD1 3.85Å; N67-I71 HydrophobicContact CB-CG1 4.13Å; N67-I71 WeakPolarHBondContact O-CG1 3.23Å; N67-I71 PolarHBondContact O-N 2.96Å; N68-I71 PolarHBondContact O-N 3.19Å; H69-I71 PolarHBondContact O-N 3.25Å; I71-N74 CarbonylContact O-C 3.6Å; I71-F78 HydrophobicContact CD1-CD2 4.04Å; I71-F78 HydrophobicContact CG1-CD2 4.39Å
72I69.8Low76.2Confident113 Ų11395.5 Ų95.558%0.57947%0.466SS*.Hα-helixtrans-64-40.3177.6-70165.8000111.2N68 H69N68-I72 WeakPolarHBondContact O-CD1 3.36Å; N68-I72 WeakPolarHBondContact O-CG1 3.29Å; N68-I72 PolarHBondContact O-N 2.93Å; N68-I72 WeakPolarHBondContact OD1-CD1 3.39Å; H69-I72 PolarHBondContact O-N 2.73Å
73Y73.3Confident76Confident172 Ų17298.9 Ų98.968%0.67548%0.48SS*.Hα-helixtrans-84.8-26.9-178.2-70.3-75.4000113.8H69 N70H69-Y73 AromaticContact CE1-CD2 3.75Å; H69-Y73 AromaticContact CE1-CE2 3.18Å; H69-Y73 WeakPolarHBondContact CE1-CE2 3.48Å; H69-Y73 AromaticContact ND1-CD2 3.55Å; H69-Y73 AromaticContact ND1-CE2 3.41Å; H69-Y73 WeakPolarHBondContact ND1-CE2 3.38Å; H69-Y73 AromaticContact NE2-CE2 3.65Å; H69-Y73 WeakPolarHBondContact O-CD2 3.04Å; H69-Y73 PolarHBondContact O-N 2.86Å; N70-Y73 PolarHBondContact O-N 2.75Å
74N73.9Confident76Confident72 Ų7296.8 Ų96.839%0.38547%0.47SS..  trans-142.875.3-177.7-164.66000111.8N70 I71 M76 E77N70-N74 PolarHBondContact O-N 2.76Å; I71-N74 CarbonylContact O-C 3.6Å; N74-M76 PolarHBondContact O-N 2.86Å; N74-M76 VanDerWaalsContact O-N 3.09Å; N74-E77 HydrophobicContact CB-CB 4.17Å; N74-E77 PolarHBondContact ND2-OE2 2.56Å; N74-E77 VanDerWaalsContact O-CB 3.27Å; N74-E77 WeakPolarHBondContact O-CB 3.24Å; N74-E77 PolarHBondContact O-N 3.33Å
75P71.2Confident76.2Confident80 Ų8099.5 Ų99.552%0.51948%0.479SS..Hα-helixtrans-61.4-22-17923.2-33.2000113.2E77 F78P75-E77 VanDerWaalsContact C-N 3.31Å; P75-E77 PolarHBondContact O-N 2.91Å; P75-F78 WeakPolarHBondContact O-CB 3.31Å; P75-F78 PolarHBondContact O-N 2.61Å
76M71.7Confident76.4Confident96 Ų9696.6 Ų96.647%0.47347%0.465SS..Hα-helixtrans-68.3-30.5174.8-67.6-60.2-70.300112.2N74 F78 I79 Y80N74-M76 PolarHBondContact O-N 2.86Å; N74-M76 VanDerWaalsContact O-N 3.09Å; M76-F78 PolarHBondContact O-N 3.05Å; M76-I79 PolarHBondContact O-N 2.93Å; M76-I79 HydrophobicContact SD-CD1 3.99Å; M76-Y80 HydrophobicContact CB-CE2 4.27Å; M76-Y80 HydrophobicContact CE-CE2 4.14Å; M76-Y80 WeakPolarHBondContact O-CD2 3.25Å; M76-Y80 PolarHBondContact O-N 3.04Å
77E69.6Low76.9Confident97 Ų9790.3 Ų90.345%0.45343%0.434SS..Hα-helixtrans-62.4-31.7177.2-162.8173.7159.200112.1N74 P75 Y80 N81N74-E77 HydrophobicContact CB-CB 4.17Å; N74-E77 PolarHBondContact ND2-OE2 2.56Å; N74-E77 VanDerWaalsContact O-CB 3.27Å; N74-E77 WeakPolarHBondContact O-CB 3.24Å; N74-E77 PolarHBondContact O-N 3.33Å; P75-E77 VanDerWaalsContact C-N 3.31Å; P75-E77 PolarHBondContact O-N 2.91Å; E77-Y80 PolarHBondContact O-N 3.38Å; E77-N81 PolarHBondContact O-N 3.43Å; E77-N81 VanDerWaalsContact O-N 3.13Å
78F69Low77.6Confident58 Ų5890.1 Ų90.125%0.25443%0.431SS..Hα-helixtrans-61.6-43.6172.3176.6-87.8000112L64 I71 P75 M76 Y80 N81 L84 F88L64-F78 HydrophobicContact CD2-CD2 4.37Å; L64-F78 HydrophobicContact CD2-CE2 3.75Å; I71-F78 HydrophobicContact CD1-CD2 4.04Å; I71-F78 HydrophobicContact CG1-CD2 4.39Å; P75-F78 WeakPolarHBondContact O-CB 3.31Å; P75-F78 PolarHBondContact O-N 2.61Å; M76-F78 PolarHBondContact O-N 3.05Å; F78-Y80 VanDerWaalsContact C-N 3.3Å; F78-Y80 PolarHBondContact O-N 3.43Å; F78-N81 PolarHBondContact O-N 2.67Å; F78-L84 HydrophobicContact CD2-CD2 3.36Å; F78-L84 HydrophobicContact CD2-CG 4.36Å; F78-L84 HydrophobicContact CE2-CD2 3.25Å; F78-L84 HydrophobicContact CE2-CG 3.87Å; F78-L84 HydrophobicContact CG-CD2 4.36Å; F78-L84 HydrophobicContact CZ-CD2 4.18Å; F78-L84 HydrophobicContact CZ-CG 4.39Å; F78-F88 HydrophobicContact CE2-CD2 4.41Å; F78-F88 AromaticContact CE2-CE2 3.65Å; F78-F88 HydrophobicContact CE2-CE2 3.65Å; F78-F88 HydrophobicContact CE2-CZ 4.22Å; F78-F88 AromaticContact CZ-CD2 3.85Å; F78-F88 HydrophobicContact CZ-CD2 3.85Å; F78-F88 AromaticContact CZ-CE2 3.37Å; F78-F88 HydrophobicContact CZ-CE2 3.37Å; F78-F88 AromaticContact CZ-CZ 3.85Å; F78-F88 HydrophobicContact CZ-CZ 3.85Å
79I70.6Confident78.4Confident101 Ų10192 Ų9252%0.51843%0.431SS..Hα-helixtrans-66.7-35-179.4-62.2175.9000110.8M76 N81M76-I79 PolarHBondContact O-N 2.93Å; M76-I79 HydrophobicContact SD-CD1 3.99Å; I79-N81 VanDerWaalsContact C-N 3.34Å
80Y71.8Confident79.4Confident177 Ų17789.4 Ų89.469%0.69442%0.419SS*.Hα-helixtrans-81.1-9.8177.9-68.1-67.8000114.1M76 E77 F78 E82M76-Y80 HydrophobicContact CB-CE2 4.27Å; M76-Y80 HydrophobicContact CE-CE2 4.14Å; M76-Y80 WeakPolarHBondContact O-CD2 3.25Å; M76-Y80 PolarHBondContact O-N 3.04Å; E77-Y80 PolarHBondContact O-N 3.38Å; F78-Y80 VanDerWaalsContact C-N 3.3Å; F78-Y80 PolarHBondContact O-N 3.43Å; Y80-E82 PolarHBondContact O-N 3.4Å
81N80.8Confident80.7Confident58 Ų5886.6 Ų86.631%0.3140%0.403SS..  trans-76.587.9174.5-170.1-31.5000110.3E77 F78 I79 Q83 L84 F85E77-N81 PolarHBondContact O-N 3.43Å; E77-N81 VanDerWaalsContact O-N 3.13Å; F78-N81 PolarHBondContact O-N 2.67Å; I79-N81 VanDerWaalsContact C-N 3.34Å; N81-Q83 VanDerWaalsContact C-N 3.25Å; N81-Q83 PolarHBondContact O-N 2.94Å; N81-Q83 PolarHBondContact OD1-N 3.47Å; N81-L84 HydrophobicContact CB-CB 4Å; N81-L84 PolarHBondContact O-N 3.38Å; N81-L84 VanDerWaalsContact O-N 3.15Å; N81-L84 PolarHBondContact OD1-N 3.04Å; N81-F85 WeakPolarHBondContact O-CB 3.35Å; N81-F85 PolarHBondContact O-N 3.44Å
82E85.2Confident82Confident151 Ų15188.3 Ų88.371%0.70641%0.412SS*.Hα-helixtrans-53.3-40.8-178-169.3177.6-17200112.7Y80 F85 D86Y80-E82 PolarHBondContact O-N 3.4Å; E82-F85 PolarHBondContact O-N 2.95Å; E82-D86 WeakPolarHBondContact O-CB 3.21Å; E82-D86 PolarHBondContact O-N 3.34Å
83Q86.9Confident83.3Confident131 Ų13187 Ų8761%0.61241%0.41SS*.Hα-helixtrans-65.7-45179.7-174.8-179.85.600112.1N81 D86 L87N81-Q83 VanDerWaalsContact C-N 3.25Å; N81-Q83 PolarHBondContact O-N 2.94Å; N81-Q83 PolarHBondContact OD1-N 3.47Å; Q83-D86 PolarHBondContact O-N 3.26Å; Q83-L87 WeakPolarHBondContact O-CG 3.46Å; Q83-L87 PolarHBondContact O-N 3.08Å; Q83-L87 VanDerWaalsContact O-N 3.13Å
84L85.8Confident84.4Confident2 Ų279.3 Ų79.31%0.0138%0.38CS..Hα-helixtrans-66.2-43.7178-175.759.2000110.4Q63 F78 N81 D86 L87 F88Q63-L84 HydrophobicContact CB-CD1 4.05Å; F78-L84 HydrophobicContact CD2-CD2 3.36Å; F78-L84 HydrophobicContact CD2-CG 4.36Å; F78-L84 HydrophobicContact CE2-CD2 3.25Å; F78-L84 HydrophobicContact CE2-CG 3.87Å; F78-L84 HydrophobicContact CG-CD2 4.36Å; F78-L84 HydrophobicContact CZ-CD2 4.18Å; F78-L84 HydrophobicContact CZ-CG 4.39Å; N81-L84 HydrophobicContact CB-CB 4Å; N81-L84 PolarHBondContact O-N 3.38Å; N81-L84 VanDerWaalsContact O-N 3.15Å; N81-L84 PolarHBondContact OD1-N 3.04Å; L84-D86 VanDerWaalsContact C-N 3.34Å; L84-D86 PolarHBondContact O-N 3.42Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 3.15Å; L84-F88 HydrophobicContact CD1-CD2 3.92Å; L84-F88 HydrophobicContact CD1-CE2 3.66Å; L84-F88 HydrophobicContact CD2-CE2 4.48Å; L84-F88 HydrophobicContact CG-CD2 3.91Å; L84-F88 HydrophobicContact CG-CE2 3.84Å; L84-F88 VanDerWaalsContact O-CD2 3.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.49Å; L84-F88 PolarHBondContact O-N 3.37Å
85F87.9Confident85.5Confident117 Ų11778.6 Ų78.651%0.51338%0.376SS..Hα-helixtrans-58-44.3176-177.1-99.4000112.2N81 E82 L87 F88 R89N81-F85 WeakPolarHBondContact O-CB 3.35Å; N81-F85 PolarHBondContact O-N 3.44Å; E82-F85 PolarHBondContact O-N 2.95Å; F85-L87 PolarHBondContact O-N 3.2Å; F85-F88 PolarHBondContact O-N 2.95Å; F85-R89 WeakPolarHBondContact O-CB 3.45Å; F85-R89 PolarHBondContact O-N 3.32Å
86D90.6Very high86.7Confident50 Ų5079.1 Ų79.127%0.26737%0.374SS..Hα-helixtrans-63.1-38.9176.1-90.7-17.3000113.1E82 Q83 L84 R89 Q90E82-D86 WeakPolarHBondContact O-CB 3.21Å; E82-D86 PolarHBondContact O-N 3.34Å; Q83-D86 PolarHBondContact O-N 3.26Å; L84-D86 VanDerWaalsContact C-N 3.34Å; L84-D86 PolarHBondContact O-N 3.42Å; D86-R89 PolarHBondContact O-N 3.1Å; D86-R89 IonicContact OD1-CZ 3.05Å; D86-R89 IonicContact OD1-NH1 2.72Å; D86-R89 PolarHBondContact OD1-NH1 3.5Å; D86-R89 IonicContact OD1-NH2 2.92Å; D86-R89 PolarHBondContact OD1-NH2 3.03Å; D86-Q90 WeakPolarHBondContact O-CG 3.38Å; D86-Q90 PolarHBondContact O-N 2.8Å
87L92.4Very high87.8Confident26 Ų2678.2 Ų78.214%0.13637%0.369CS..Hα-helixtrans-64.4-44.9174.7-71.4169.1000111.1L56 I59 I60 Q63 Q83 L84 F85 Q90 F91L56-L87 HydrophobicContact CD2-CD2 3.68Å; I59-L87 HydrophobicContact CG2-CD1 3.8Å; I60-L87 HydrophobicContact CD1-CB 4.49Å; I60-L87 HydrophobicContact CG1-CB 4.2Å; Q63-L87 VanDerWaalsContact OE1-CD1 3.31Å; Q83-L87 WeakPolarHBondContact O-CG 3.46Å; Q83-L87 PolarHBondContact O-N 3.08Å; Q83-L87 VanDerWaalsContact O-N 3.13Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 3.15Å; F85-L87 PolarHBondContact O-N 3.2Å; L87-Q90 PolarHBondContact O-N 3.06Å; L87-F91 WeakPolarHBondContact O-CB 3.13Å; L87-F91 PolarHBondContact O-N 3.21Å
88F92Very high89Confident52 Ų5275 Ų7523%0.22836%0.355CS..Hα-helixtrans-60.9-45.3174.1-91-79.3000111.9I60 L64 F78 L84 F85 Q90 F91 I92I60-F88 HydrophobicContact CD1-CD1 4.15Å; I60-F88 HydrophobicContact CD1-CD2 4.46Å; I60-F88 HydrophobicContact CD1-CE1 4.43Å; I60-F88 HydrophobicContact CD1-CG 4.19Å; I60-F88 HydrophobicContact CG1-CD2 4.44Å; I60-F88 HydrophobicContact CG1-CE2 4.42Å; I60-F88 HydrophobicContact CG2-CD1 4.35Å; I60-F88 HydrophobicContact CG2-CD2 4.36Å; I60-F88 HydrophobicContact CG2-CE1 3.61Å; I60-F88 HydrophobicContact CG2-CE2 3.6Å; I60-F88 HydrophobicContact CG2-CZ 3.2Å; L64-F88 HydrophobicContact CD1-CZ 4.14Å; L64-F88 HydrophobicContact CD2-CZ 4.43Å; L64-F88 HydrophobicContact CG-CZ 4.48Å; F78-F88 HydrophobicContact CE2-CD2 4.41Å; F78-F88 AromaticContact CE2-CE2 3.65Å; F78-F88 HydrophobicContact CE2-CE2 3.65Å; F78-F88 HydrophobicContact CE2-CZ 4.22Å; F78-F88 AromaticContact CZ-CD2 3.85Å; F78-F88 HydrophobicContact CZ-CD2 3.85Å; F78-F88 AromaticContact CZ-CE2 3.37Å; F78-F88 HydrophobicContact CZ-CE2 3.37Å; F78-F88 AromaticContact CZ-CZ 3.85Å; F78-F88 HydrophobicContact CZ-CZ 3.85Å; L84-F88 HydrophobicContact CD1-CD2 3.92Å; L84-F88 HydrophobicContact CD1-CE2 3.66Å; L84-F88 HydrophobicContact CD2-CE2 4.48Å; L84-F88 HydrophobicContact CG-CD2 3.91Å; L84-F88 HydrophobicContact CG-CE2 3.84Å; L84-F88 VanDerWaalsContact O-CD2 3.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.49Å; L84-F88 PolarHBondContact O-N 3.37Å; F85-F88 PolarHBondContact O-N 2.95Å; F88-Q90 VanDerWaalsContact C-N 3.35Å; F88-Q90 PolarHBondContact O-N 3.43Å; F88-F91 WeakPolarHBondContact O-CB 3.23Å; F88-F91 PolarHBondContact O-N 2.84Å; F88-I92 WeakPolarHBondContact O-CB 3.19Å; F88-I92 VanDerWaalsContact O-CG1 3.32Å; F88-I92 WeakPolarHBondContact O-CG1 3.41Å; F88-I92 PolarHBondContact O-N 3.04Å
89R93.3Very high90.3Very high129 Ų12974.7 Ų74.749%0.48736%0.358SS..Hα-helixtrans-56.1-50.7176.2-173.5-17470.1-137.3-10.2110.5F85 D86 F91 I92 T93F85-R89 WeakPolarHBondContact O-CB 3.45Å; F85-R89 PolarHBondContact O-N 3.32Å; D86-R89 PolarHBondContact O-N 3.1Å; D86-R89 IonicContact OD1-CZ 3.05Å; D86-R89 IonicContact OD1-NH1 2.72Å; D86-R89 PolarHBondContact OD1-NH1 3.5Å; D86-R89 IonicContact OD1-NH2 2.92Å; D86-R89 PolarHBondContact OD1-NH2 3.03Å; R89-F91 VanDerWaalsContact C-N 3.34Å; R89-F91 PolarHBondContact O-N 3.2Å; R89-I92 PolarHBondContact O-N 3.23Å; R89-T93 WeakPolarHBondContact O-CB 3.41Å; R89-T93 PolarHBondContact O-N 3.42Å; R89-T93 PolarHBondContact O-OG1 3.18Å
90Q95Very high91.6Very high71 Ų7175 Ų7533%0.33236%0.36SS..Hα-helixtrans-61-42.1177.8-72.3178.955.500112.5L56 D86 L87 F88 T93 I94L56-Q90 HydrophobicContact CD1-CB 4.03Å; L56-Q90 HydrophobicContact CD2-CB 4.46Å; D86-Q90 WeakPolarHBondContact O-CG 3.38Å; D86-Q90 PolarHBondContact O-N 2.8Å; L87-Q90 PolarHBondContact O-N 3.06Å; F88-Q90 VanDerWaalsContact C-N 3.35Å; F88-Q90 PolarHBondContact O-N 3.43Å; Q90-T93 PolarHBondContact O-N 2.82Å; Q90-I94 WeakPolarHBondContact O-CG1 3.41Å; Q90-I94 PolarHBondContact O-N 3.39Å
91F96.2Very high92.7Very high24 Ų2467.9 Ų67.911%0.10533%0.332CS..Hα-helixtrans-60.9-50177.6174.2-100.5000111.3F53 L56 F57 I60 L87 F88 R89 I94 L95F53-F91 AromaticContact CD2-CD2 3.92Å; F53-F91 HydrophobicContact CD2-CD2 3.92Å; F53-F91 AromaticContact CD2-CE2 3.55Å; F53-F91 HydrophobicContact CD2-CE2 3.55Å; F53-F91 HydrophobicContact CD2-CZ 4.31Å; F53-F91 AromaticContact CE2-CD2 3.85Å; F53-F91 HydrophobicContact CE2-CD2 3.85Å; F53-F91 HydrophobicContact CE2-CE1 4.39Å; F53-F91 AromaticContact CE2-CE2 3.07Å; F53-F91 HydrophobicContact CE2-CE2 3.07Å; F53-F91 AromaticContact CE2-CZ 3.41Å; F53-F91 HydrophobicContact CE2-CZ 3.41Å; F53-F91 VanDerWaalsContact CE2-CZ 3.41Å; F53-F91 HydrophobicContact CG-CE2 4.43Å; F53-F91 AromaticContact CZ-CE2 3.64Å; F53-F91 HydrophobicContact CZ-CE2 3.64Å; F53-F91 AromaticContact CZ-CZ 3.81Å; F53-F91 HydrophobicContact CZ-CZ 3.81Å; L56-F91 HydrophobicContact CB-CB 4.15Å; L56-F91 HydrophobicContact CB-CD2 3.94Å; L56-F91 HydrophobicContact CD1-CB 4.4Å; F57-F91 HydrophobicContact CB-CD2 4.43Å; F57-F91 HydrophobicContact CB-CE2 3.79Å; F57-F91 HydrophobicContact CD2-CE2 4Å; F57-F91 AromaticContact CD2-CZ 3.92Å; F57-F91 HydrophobicContact CD2-CZ 3.92Å; F57-F91 HydrophobicContact CG-CE2 4.38Å; I60-F91 HydrophobicContact CD1-CB 3.55Å; I60-F91 HydrophobicContact CD1-CD1 4.33Å; I60-F91 HydrophobicContact CD1-CD2 4.36Å; I60-F91 HydrophobicContact CD1-CG 3.83Å; L87-F91 WeakPolarHBondContact O-CB 3.13Å; L87-F91 PolarHBondContact O-N 3.21Å; F88-F91 WeakPolarHBondContact O-CB 3.23Å; F88-F91 PolarHBondContact O-N 2.84Å; R89-F91 VanDerWaalsContact C-N 3.34Å; R89-F91 PolarHBondContact O-N 3.2Å; F91-I94 PolarHBondContact O-N 3.05Å; F91-L95 HydrophobicContact CE1-CD2 4.14Å; F91-L95 HydrophobicContact CZ-CD2 4.48Å; F91-L95 VanDerWaalsContact O-CB 3.25Å; F91-L95 WeakPolarHBondContact O-CB 3.37Å; F91-L95 PolarHBondContact O-N 3.11Å
92I95.5Very high93.5Very high78 Ų7872.7 Ų72.740%0.435%0.346SS..Hα-helixtrans-64-42.2178.8-64.8-61.3000110.9F88 R89 I94 L95 L96F88-I92 WeakPolarHBondContact O-CB 3.19Å; F88-I92 VanDerWaalsContact O-CG1 3.32Å; F88-I92 WeakPolarHBondContact O-CG1 3.41Å; F88-I92 PolarHBondContact O-N 3.04Å; R89-I92 PolarHBondContact O-N 3.23Å; I92-I94 PolarHBondContact O-N 2.98Å; I92-L95 HydrophobicContact CD1-CD2 4.36Å; I92-L95 PolarHBondContact O-N 3.11Å; I92-L96 HydrophobicContact CG2-CD1 3.9Å; I92-L96 HydrophobicContact CG2-CG 4.2Å; I92-L96 WeakPolarHBondContact O-CB 3.45Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.33Å; I92-L96 PolarHBondContact O-N 3.01Å
93T96.2Very high94.1Very high85 Ų8569.9 Ų69.952%0.52133%0.334SS..Hα-helixtrans-59.3-45.8176-57.90000111.9R89 Q90 M97R89-T93 WeakPolarHBondContact O-CB 3.41Å; R89-T93 PolarHBondContact O-N 3.42Å; R89-T93 PolarHBondContact O-OG1 3.18Å; Q90-T93 PolarHBondContact O-N 2.82Å; T93-M97 WeakPolarHBondContact O-CB 3.34Å; T93-M97 PolarHBondContact O-N 3.15Å
94I96.6Very high94.5Very high11 Ų1167.9 Ų67.96%0.05632%0.322CS..Hα-helixtrans-69.8-40.7179.4-67.5169.5000110.9K52 F53 L56 Q90 F91 I92 L96 M97 I98K52-I94 HydrophobicContact CB-CD1 4.28Å; K52-I94 HydrophobicContact CD-CD1 3.48Å; K52-I94 VanDerWaalsContact CD-CD1 3.48Å; K52-I94 HydrophobicContact CG-CD1 3.64Å; F53-I94 HydrophobicContact CB-CG2 3.87Å; F53-I94 HydrophobicContact CD2-CG2 4.4Å; L56-I94 HydrophobicContact CD1-CD1 3.74Å; Q90-I94 WeakPolarHBondContact O-CG1 3.41Å; Q90-I94 PolarHBondContact O-N 3.39Å; F91-I94 PolarHBondContact O-N 3.05Å; I92-I94 PolarHBondContact O-N 2.98Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-L96 PolarHBondContact O-N 3.3Å; I94-M97 PolarHBondContact O-N 2.65Å; I94-I98 HydrophobicContact CG2-CD1 3.72Å; I94-I98 HydrophobicContact CG2-CG1 4.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.29Å; I94-I98 PolarHBondContact O-N 2.96Å
95L96.3Very high95Very high56 Ų5670.3 Ų70.329%0.29333%0.331SS..Hα-helixtrans-57.9-48175.2178.461.4000111F53 F91 I92 I98 T99F53-L95 HydrophobicContact CD2-CB 4.31Å; F53-L95 HydrophobicContact CE2-CB 3.82Å; F53-L95 HydrophobicContact CE2-CD1 3.56Å; F53-L95 HydrophobicContact CE2-CG 4.17Å; F53-L95 HydrophobicContact CZ-CD1 3.82Å; F91-L95 HydrophobicContact CE1-CD2 4.14Å; F91-L95 HydrophobicContact CZ-CD2 4.48Å; F91-L95 VanDerWaalsContact O-CB 3.25Å; F91-L95 WeakPolarHBondContact O-CB 3.37Å; F91-L95 PolarHBondContact O-N 3.11Å; I92-L95 HydrophobicContact CD1-CD2 4.36Å; I92-L95 PolarHBondContact O-N 3.11Å; L95-I98 PolarHBondContact O-N 2.84Å; L95-T99 HydrophobicContact CD1-CG2 3.81Å; L95-T99 HydrophobicContact CG-CG2 4.34Å; L95-T99 VanDerWaalsContact O-CB 3.32Å; L95-T99 WeakPolarHBondContact O-CB 3.26Å; L95-T99 WeakPolarHBondContact O-CG2 3.41Å; L95-T99 PolarHBondContact O-N 2.81Å; L95-T99 PolarHBondContact O-OG1 3.44Å
96L96.5Very high95.4Very high91 Ų9168.3 Ų68.348%0.47633%0.325SS..Hα-helixtrans-62.6-44.8177.8-72.4176000111.2I92 I94 I98 T99 I100I92-L96 HydrophobicContact CG2-CD1 3.9Å; I92-L96 HydrophobicContact CG2-CG 4.2Å; I92-L96 WeakPolarHBondContact O-CB 3.45Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.33Å; I92-L96 PolarHBondContact O-N 3.01Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-L96 PolarHBondContact O-N 3.3Å; L96-I98 PolarHBondContact O-N 2.83Å; L96-T99 WeakPolarHBondContact CA-OG1 3.4Å; L96-T99 PolarHBondContact O-N 3.49Å; L96-T99 PolarHBondContact O-OG1 3.18Å; L96-I100 HydrophobicContact CB-CD1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 WeakPolarHBondContact O-CG1 3.24Å; L96-I100 PolarHBondContact O-N 2.88Å
97M95.3Very high95.7Very high77 Ų7772.6 Ų72.638%0.37935%0.347SS..Hα-helixtrans-62.2-46178.8-174.8-178.357.800112.2L49 T93 I94 Y101L49-M97 HydrophobicContact CB-CE 4.49Å; L49-M97 HydrophobicContact CD1-CE 3.37Å; L49-M97 HydrophobicContact CD1-SD 4.39Å; L49-M97 HydrophobicContact CD2-CE 3.43Å; L49-M97 VanDerWaalsContact CD2-CE 3.43Å; L49-M97 HydrophobicContact CG-CE 3.89Å; T93-M97 WeakPolarHBondContact O-CB 3.34Å; T93-M97 PolarHBondContact O-N 3.15Å; I94-M97 PolarHBondContact O-N 2.65Å; M97-Y101 VanDerWaalsContact O-CB 3.23Å; M97-Y101 WeakPolarHBondContact O-CB 3.47Å; M97-Y101 PolarHBondContact O-N 3.46Å
98I95.9Very high95.9Very high29 Ų2972.1 Ų72.115%0.14934%0.344CS..Hα-helixtrans-65.4-45.3178.1-68.1173.1000110.5W46 L49 I50 F53 I94 L95 L96 W102W46-I98 HydrophobicContact CH2-CB 4.4Å; W46-I98 HydrophobicContact CH2-CG1 4.32Å; W46-I98 HydrophobicContact CH2-CG2 4.18Å; W46-I98 HydrophobicContact CZ2-CG2 4.26Å; L49-I98 HydrophobicContact CB-CD1 4.35Å; I50-I98 HydrophobicContact CG1-CD1 4.37Å; F53-I98 HydrophobicContact CB-CD1 4.11Å; F53-I98 HydrophobicContact CG-CD1 4.45Å; I94-I98 HydrophobicContact CG2-CD1 3.72Å; I94-I98 HydrophobicContact CG2-CG1 4.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.29Å; I94-I98 PolarHBondContact O-N 2.96Å; L95-I98 PolarHBondContact O-N 2.84Å; L96-I98 PolarHBondContact O-N 2.83Å; I98-W102 WeakPolarHBondContact O-CB 3.42Å; I98-W102 PolarHBondContact O-N 2.93Å
99T95.8Very high96Very high52 Ų5276.6 Ų76.632%0.31936%0.364SS..Hα-helixtrans-69-44.3-177.352.60000112L95 L96 W102 I103L95-T99 HydrophobicContact CD1-CG2 3.81Å; L95-T99 HydrophobicContact CG-CG2 4.34Å; L95-T99 VanDerWaalsContact O-CB 3.32Å; L95-T99 WeakPolarHBondContact O-CB 3.26Å; L95-T99 WeakPolarHBondContact O-CG2 3.41Å; L95-T99 PolarHBondContact O-N 2.81Å; L95-T99 PolarHBondContact O-OG1 3.44Å; L96-T99 WeakPolarHBondContact CA-OG1 3.4Å; L96-T99 PolarHBondContact O-N 3.49Å; L96-T99 PolarHBondContact O-OG1 3.18Å; T99-W102 PolarHBondContact O-N 3.32Å; T99-I103 WeakPolarHBondContact O-CB 3.16Å; T99-I103 VanDerWaalsContact O-CG1 3.23Å; T99-I103 WeakPolarHBondContact O-CG1 2.96Å; T99-I103 PolarHBondContact O-N 2.97Å
100I97Very high96Very high109 Ų10971 Ų7156%0.55935%0.346SS*.Hα-helixtrans-61.1-47.2175.9-68.7167.1000110.3L96 W102 I103 Y104L96-I100 HydrophobicContact CB-CD1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 WeakPolarHBondContact O-CG1 3.24Å; L96-I100 PolarHBondContact O-N 2.88Å; I100-W102 VanDerWaalsContact C-N 3.34Å; I100-W102 PolarHBondContact O-N 3.2Å; I100-I103 PolarHBondContact O-N 3.29Å; I100-Y104 WeakPolarHBondContact O-CB 3.28Å; I100-Y104 PolarHBondContact O-N 3.48Å
101Y96.4Very high96.1Very high27 Ų2768.3 Ų68.311%0.10634%0.335CS..Hα-helixtrans-64.7-39.2178.5-173.3-96.1000112W46 M97 Y104 W105 P260 F261 D264W46-Y101 HydrophobicContact CE3-CD1 4.37Å; W46-Y101 AromaticContact CH2-CD1 3.34Å; W46-Y101 HydrophobicContact CH2-CD1 3.34Å; W46-Y101 HydrophobicContact CH2-CE1 4.19Å; W46-Y101 HydrophobicContact CH2-CG 4Å; W46-Y101 HydrophobicContact CZ2-CD1 4.06Å; W46-Y101 AromaticContact CZ3-CD1 3.51Å; W46-Y101 HydrophobicContact CZ3-CD1 3.51Å; W46-Y101 HydrophobicContact CZ3-CE1 4.16Å; W46-Y101 AromaticContact CZ3-CG 3.99Å; W46-Y101 HydrophobicContact CZ3-CG 3.99Å; M97-Y101 VanDerWaalsContact O-CB 3.23Å; M97-Y101 WeakPolarHBondContact O-CB 3.47Å; M97-Y101 PolarHBondContact O-N 3.46Å; Y101-Y104 HydrophobicContact CD2-CD1 4.18Å; Y101-Y104 HydrophobicContact CE2-CD1 4.1Å; Y101-Y104 HydrophobicContact CE2-CE1 4.33Å; Y101-Y104 PolarHBondContact O-N 3.19Å; Y101-W105 AromaticContact CE1-CE3 3.71Å; Y101-W105 HydrophobicContact CE1-CE3 3.71Å; Y101-W105 HydrophobicContact CE1-CZ3 4.3Å; Y101-W105 AromaticContact CZ-CE3 3.81Å; Y101-W105 WeakPolarHBondContact O-CB 3.33Å; Y101-W105 PolarHBondContact O-N 3.4Å; Y101-W105 WeakPolarHBondContact OH-CZ3 3.44Å; Y101-P260 HydrophobicContact CE1-CB 3.83Å; Y101-P260 WeakPolarHBondContact OH-CA 3.29Å; Y101-F261 HydrophobicContact CD2-CD1 4.45Å; Y101-F261 HydrophobicContact CD2-CE1 4.02Å; Y101-F261 AromaticContact CE2-CD1 3.94Å; Y101-F261 HydrophobicContact CE2-CD1 3.94Å; Y101-F261 AromaticContact CE2-CE1 3.94Å; Y101-F261 HydrophobicContact CE2-CE1 3.94Å; Y101-F261 HydrophobicContact CG-CE1 4.48Å; Y101-F261 PolarHBondContact OH-N 2.64Å; Y101-D264 WeakPolarHBondContact CE2-OD2 3.48Å; Y101-D264 VanDerWaalsContact CZ-OD2 3.31Å; Y101-D264 PolarHBondContact OH-OD2 3.24Å
102W95.7Very high96.1Very high159 Ų15967.8 Ų67.860%0.60233%0.333SS*.Hα-helixtrans-66-40.5176.3-176.777.9000112.3I98 T99 I100 W105 N106I98-W102 WeakPolarHBondContact O-CB 3.42Å; I98-W102 PolarHBondContact O-N 2.93Å; T99-W102 PolarHBondContact O-N 3.32Å; I100-W102 VanDerWaalsContact C-N 3.34Å; I100-W102 PolarHBondContact O-N 3.2Å; W102-W105 PolarHBondContact O-N 2.98Å; W102-N106 VanDerWaalsContact CD2-ND2 3.28Å; W102-N106 WeakPolarHBondContact CZ2-ND2 3.35Å; W102-N106 PolarHBondContact NE1-ND2 3.4Å; W102-N106 PolarHBondContact O-N 2.74Å; W102-N106 PolarHBondContact O-ND2 2.91Å
103I97.7Very high96.1Very high91 Ų9165.4 Ų65.447%0.46732%0.32SS..Hα-helixtrans-61.2-49.6173-70164.6000109.8T99 I100 W105 N106 I107T99-I103 WeakPolarHBondContact O-CB 3.16Å; T99-I103 VanDerWaalsContact O-CG1 3.23Å; T99-I103 WeakPolarHBondContact O-CG1 2.96Å; T99-I103 PolarHBondContact O-N 2.97Å; I100-I103 PolarHBondContact O-N 3.29Å; I103-W105 PolarHBondContact O-N 3.19Å; I103-N106 PolarHBondContact O-N 3.22Å; I103-I107 HydrophobicContact CG2-CD1 3.74Å; I103-I107 WeakPolarHBondContact O-CG1 3.47Å; I103-I107 PolarHBondContact O-N 2.83Å
104Y96.9Very high96.1Very high90 Ų9066.9 Ų66.935%0.35332%0.319SS..Hα-helixtrans-54.8-50.5175.7164.4-108.8000111.8I100 Y101 N106 I107 D108 D264I100-Y104 WeakPolarHBondContact O-CB 3.28Å; I100-Y104 PolarHBondContact O-N 3.48Å; Y101-Y104 HydrophobicContact CD2-CD1 4.18Å; Y101-Y104 HydrophobicContact CE2-CD1 4.1Å; Y101-Y104 HydrophobicContact CE2-CE1 4.33Å; Y101-Y104 PolarHBondContact O-N 3.19Å; Y104-N106 VanDerWaalsContact C-N 3.31Å; Y104-N106 PolarHBondContact O-N 3.16Å; Y104-I107 PolarHBondContact O-N 3.31Å; Y104-D108 HydrophobicContact CD2-CB 4.4Å; Y104-D108 HydrophobicContact CE2-CB 3.99Å; Y104-D108 VanDerWaalsContact O-CB 3.26Å; Y104-D108 WeakPolarHBondContact O-CB 3.18Å; Y104-D108 PolarHBondContact O-N 3.16Å; Y104-D108 PolarHBondContact OH-OD2 3.12Å; Y104-D264 WeakPolarHBondContact CE1-OD1 3.2Å
105W96.5Very high95.9Very high53 Ų5366.8 Ų66.820%0.20132%0.321CS..Hα-helixtrans-58.6-40.9179.5-176.1-75.6000112.5Y101 W102 I103 D108 K109 R263Y101-W105 AromaticContact CE1-CE3 3.71Å; Y101-W105 HydrophobicContact CE1-CE3 3.71Å; Y101-W105 HydrophobicContact CE1-CZ3 4.3Å; Y101-W105 AromaticContact CZ-CE3 3.81Å; Y101-W105 WeakPolarHBondContact O-CB 3.33Å; Y101-W105 PolarHBondContact O-N 3.4Å; Y101-W105 WeakPolarHBondContact OH-CZ3 3.44Å; W102-W105 PolarHBondContact O-N 2.98Å; I103-W105 PolarHBondContact O-N 3.19Å; W105-D108 PolarHBondContact O-N 2.77Å; W105-K109 PolarHBondContact O-N 3.45Å; W105-R263 HydrophobicContact CH2-CB 4.1Å; W105-R263 HydrophobicContact CH2-CG 4.25Å; W105-R263 HydrophobicContact CZ3-CB 3.95Å; W105-R263 HydrophobicContact CZ3-CG 4.19Å
106N96.2Very high95.8Very high74 Ų7464.7 Ų64.740%0.39631%0.311SS..Hα-helixtrans-69.9-39.3179.1-79.7-69000112.5W102 I103 Y104 D108W102-N106 VanDerWaalsContact CD2-ND2 3.28Å; W102-N106 WeakPolarHBondContact CZ2-ND2 3.35Å; W102-N106 PolarHBondContact NE1-ND2 3.4Å; W102-N106 PolarHBondContact O-N 2.74Å; W102-N106 PolarHBondContact O-ND2 2.91Å; I103-N106 PolarHBondContact O-N 3.22Å; Y104-N106 VanDerWaalsContact C-N 3.31Å; Y104-N106 PolarHBondContact O-N 3.16Å; N106-D108 VanDerWaalsContact C-N 3.32Å
107I96Very high95.8Very high140 Ų14063.5 Ų63.572%0.71830%0.303SS*.Hα-helixtrans-64.4-41.6175-67.5168.4000110.2I103 Y104 K109I103-I107 HydrophobicContact CG2-CD1 3.74Å; I103-I107 WeakPolarHBondContact O-CG1 3.47Å; I103-I107 PolarHBondContact O-N 2.83Å; Y104-I107 PolarHBondContact O-N 3.31Å; I107-K109 VanDerWaalsContact C-N 3.33Å; I107-K109 PolarHBondContact O-N 3.01Å
108D95.8Very high95.8Very high16 Ų1662.4 Ų62.49%0.08630%0.302CS..THydrogen-bonded Turntrans-89.96.3-173.8-166.749.5000114Y104 W105 N106 G110 S111 H117 R263Y104-D108 HydrophobicContact CD2-CB 4.4Å; Y104-D108 HydrophobicContact CE2-CB 3.99Å; Y104-D108 VanDerWaalsContact O-CB 3.26Å; Y104-D108 WeakPolarHBondContact O-CB 3.18Å; Y104-D108 PolarHBondContact O-N 3.16Å; Y104-D108 PolarHBondContact OH-OD2 3.12Å; W105-D108 PolarHBondContact O-N 2.77Å; N106-D108 VanDerWaalsContact C-N 3.32Å; D108-G110 PolarHBondContact O-N 3.33Å; D108-S111 VanDerWaalsContact CG-OG 3.3Å; D108-S111 WeakPolarHBondContact O-CB 3.2Å; D108-S111 PolarHBondContact O-N 3.09Å; D108-S111 PolarHBondContact O-OG 3.35Å; D108-S111 WeakPolarHBondContact OD1-CB 3.31Å; D108-S111 PolarHBondContact OD1-OG 2.89Å; D108-H117 IonicContact OD1-CD2 3.43Å; D108-H117 IonicContact OD1-CE1 2.97Å; D108-H117 PolarHBondContact OD1-CE1 3.29Å; D108-H117 IonicContact OD1-NE2 2.75Å; D108-H117 PolarHBondContact OD1-NE2 2.81Å; D108-H117 IonicContact OD2-CD2 2.86Å; D108-H117 IonicContact OD2-NE2 3.24Å; D108-H117 PolarHBondContact OD2-NE2 2.8Å; D108-R263 PolarHBondContact O-NH2 3.49Å; D108-R263 IonicContact OD2-CZ 2.74Å; D108-R263 VanDerWaalsContact OD2-CZ 3.24Å; D108-R263 IonicContact OD2-NH1 3.94Å; D108-R263 PolarHBondContact OD2-NH1 3.35Å; D108-R263 IonicContact OD2-NH2 3.76Å; D108-R263 PolarHBondContact OD2-NH2 3.26Å
109K94.1Very high95.9Very high147 Ų14765.7 Ų65.764%0.63932%0.315SS*.THydrogen-bonded Turntrans-60.3129-173.2-172177.7179.6179.60111.9W105 I107W105-K109 PolarHBondContact O-N 3.45Å; I107-K109 VanDerWaalsContact C-N 3.33Å; I107-K109 PolarHBondContact O-N 3.01Å
110G94.6Very high95.8Very high11 Ų1171.7 Ų71.711%0.11333%0.333CS..THydrogen-bonded Turntrans858.5178.200000114.6D108 E112 E113D108-G110 PolarHBondContact O-N 3.33Å; G110-E112 VanDerWaalsContact CA-OE2 3.31Å; G110-E112 WeakPolarHBondContact CA-OE2 3.24Å; G110-E112 PolarHBondContact N-OE2 2.93Å; G110-E112 PolarHBondContact O-N 3.43Å; G110-E113 PolarHBondContact O-N 3.45Å
111S96.3Very high95.9Very high15 Ų1572.9 Ų72.911%0.10533%0.334CS..G310 helixtrans-59.6-24.7173.4-68.40000113.4D108 E113 K114 S116 H117D108-S111 VanDerWaalsContact CG-OG 3.3Å; D108-S111 WeakPolarHBondContact O-CB 3.2Å; D108-S111 PolarHBondContact O-N 3.09Å; D108-S111 PolarHBondContact O-OG 3.35Å; D108-S111 WeakPolarHBondContact OD1-CB 3.31Å; D108-S111 PolarHBondContact OD1-OG 2.89Å; S111-E113 PolarHBondContact O-N 2.91Å; S111-K114 PolarHBondContact O-N 2.88Å; S111-S116 PolarHBondContact O-N 3.18Å; S111-H117 WeakPolarHBondContact CB-NE2 3.33Å; S111-H117 PolarHBondContact OG-NE2 3.41Å
112E96.2Very high95.9Very high13 Ų1372.7 Ų72.76%0.06134%0.335CS..G310 helixtrans-61.9-19.3170.766.6-84.3-162.700113.6G110 F257 R263 L267 V272 A273G110-E112 VanDerWaalsContact CA-OE2 3.31Å; G110-E112 WeakPolarHBondContact CA-OE2 3.24Å; G110-E112 PolarHBondContact N-OE2 2.93Å; G110-E112 PolarHBondContact O-N 3.43Å; E112-F257 HydrophobicContact CB-CB 4Å; E112-F257 HydrophobicContact CB-CD1 3.48Å; E112-F257 VanDerWaalsContact CB-CD1 3.48Å; E112-F257 HydrophobicContact CB-CD2 3.77Å; E112-F257 HydrophobicContact CB-CE1 3.77Å; E112-F257 HydrophobicContact CB-CE2 4.04Å; E112-F257 HydrophobicContact CB-CG 3.47Å; E112-F257 VanDerWaalsContact CB-CG 3.47Å; E112-F257 HydrophobicContact CB-CZ 4.03Å; E112-F257 HydrophobicContact CG-CB 4Å; E112-F257 HydrophobicContact CG-CD1 4.42Å; E112-F257 HydrophobicContact CG-CD2 4.17Å; E112-F257 HydrophobicContact CG-CG 3.95Å; E112-R263 IonicContact OE2-NE 2.72Å; E112-R263 IonicContact OE2-NH2 3.28Å; E112-L267 HydrophobicContact CB-CD2 4.14Å; E112-V272 CarbonylContact O-C 3.55Å; E112-V272 WeakPolarHBondContact O-CA 3.09Å; E112-V272 WeakPolarHBondContact O-CB 3.25Å; E112-A273 HydrophobicContact CB-CB 4.26Å; E112-A273 HydrophobicContact CG-CB 4.1Å; E112-A273 PolarHBondContact O-N 3.25Å
113E97Very high95.9Very high28 Ų2866.3 Ų66.313%0.13131%0.311CS..G310 helixtrans-108.27.8175.1-55.3-172.2124.800112.9G110 S111 A273 T275 K277G110-E113 PolarHBondContact O-N 3.45Å; S111-E113 PolarHBondContact O-N 2.91Å; E113-A273 HydrophobicContact CG-CB 4.32Å; E113-T275 PolarHBondContact OE1-OG1 3.43Å; E113-K277 HydrophobicContact CB-CG 4.32Å; E113-K277 VanDerWaalsContact OE2-CD 3.25Å; E113-K277 WeakPolarHBondContact OE2-CD 3.39Å; E113-K277 VanDerWaalsContact OE2-CE 3.31Å; E113-K277 WeakPolarHBondContact OE2-CE 2.98Å; E113-K277 IonicContact OE2-NZ 2.72Å; E113-K277 PolarHBondContact OE2-NZ 3.32Å
114K95.1Very high95.9Very high115 Ų11564.8 Ų64.850%0.530%0.304SS..THydrogen-bonded Turntrans-13025.9-175.8-63.8-179.5-179.2175.60113.7S111 Y281S111-K114 PolarHBondContact O-N 2.88Å; K114-Y281 VanDerWaalsContact CA-CE1 3.47Å; K114-Y281 HydrophobicContact CB-CE1 4.19Å; K114-Y281 HydrophobicContact CB-CE2 4.44Å; K114-Y281 HydrophobicContact CG-CE2 4.49Å; K114-Y281 WeakPolarHBondContact O-CE1 3.31Å; K114-Y281 PolarHBondContact O-OH 3.15Å
115G91.6Very high96Very high9 Ų964.1 Ų64.19%0.09331%0.306CS..THydrogen-bonded Turntrans84.723175.100000115.4W249G115-W249 VanDerWaalsContact C-CZ3 3.49Å; G115-W249 WeakPolarHBondContact O-CH2 3.36Å; G115-W249 WeakPolarHBondContact O-CZ3 3.37Å
116S95.3Very high96Very high12 Ų1266.3 Ų66.38%0.08432%0.32CS..  trans60.1-166.1163.6-157.40000115.4S111 L267 F269 L271S111-S116 PolarHBondContact O-N 3.18Å; S116-L267 VanDerWaalsContact OG-C 3.25Å; S116-L267 WeakPolarHBondContact OG-CA 3.47Å; S116-L267 PolarHBondContact OG-O 2.84Å; S116-F269 PolarHBondContact OG-O 2.88Å; S116-L271 WeakPolarHBondContact CB-O 3.44Å; S116-L271 PolarHBondContact OG-O 2.92Å
117H95.9Very high96Very high67 Ų6764.8 Ų64.831%0.3131%0.312SS..  trans-136.358.4178.5-61.2-64.9000112.7D108 S111 K119 L267D108-H117 IonicContact OD1-CD2 3.43Å; D108-H117 IonicContact OD1-CE1 2.97Å; D108-H117 PolarHBondContact OD1-CE1 3.29Å; D108-H117 IonicContact OD1-NE2 2.75Å; D108-H117 PolarHBondContact OD1-NE2 2.81Å; D108-H117 IonicContact OD2-CD2 2.86Å; D108-H117 IonicContact OD2-NE2 3.24Å; D108-H117 PolarHBondContact OD2-NE2 2.8Å; S111-H117 WeakPolarHBondContact CB-NE2 3.33Å; S111-H117 PolarHBondContact OG-NE2 3.41Å; H117-K119 WeakPolarHBondContact O-CE 3.25Å; H117-K119 PolarHBondContact O-N 2.89Å; H117-L267 CarbonylContact C-O 3.56Å; H117-L267 VanDerWaalsContact CA-O 3.24Å; H117-L267 WeakPolarHBondContact CA-O 3.35Å; H117-L267 PolarHBondContact N-O 3.22Å; H117-L267 VanDerWaalsContact O-O 3.12Å
118P96.2Very high96.1Very high54 Ų5458.8 Ų58.835%0.35128%0.28SS..  trans-58.8133.1-170.226-35.7000112.4S268 N270P118-S268 CarbonylContact C-O 3.59Å; P118-S268 WeakPolarHBondContact CA-O 3.49Å; P118-N270 WeakPolarHBondContact CB-OD1 3.45Å
119K97.1Very high96.2Very high97 Ų9762.9 Ų62.942%0.42230%0.297SS..  trans-109.4117.9179.2-57.3-57.4179.2-171.90109.9H117 F121 I122 R123 S268H117-K119 WeakPolarHBondContact O-CE 3.25Å; H117-K119 PolarHBondContact O-N 2.89Å; K119-F121 VanDerWaalsContact C-N 3.3Å; K119-F121 HydrophobicContact CB-CD1 3.97Å; K119-F121 HydrophobicContact CB-CE1 3.74Å; K119-F121 HydrophobicContact CB-CZ 4.49Å; K119-F121 HydrophobicContact CG-CE1 4.17Å; K119-F121 PolarHBondContact O-N 3.31Å; K119-I122 HydrophobicContact CB-CB 4.2Å; K119-I122 HydrophobicContact CB-CD1 3.96Å; K119-I122 HydrophobicContact CB-CG1 4.01Å; K119-I122 HydrophobicContact CG-CD1 4.17Å; K119-I122 PolarHBondContact O-N 3.1Å; K119-I122 VanDerWaalsContact O-N 3.1Å; K119-R123 PolarHBondContact O-N 3.32Å; K119-S268 PolarHBondContact N-O 2.9Å
120Y95.4Very high96.4Very high179 Ų17958.6 Ų58.670%0.70228%0.277SS*.Hα-helixtrans-51.6-47.4-179.2179-95.6000112.6I122 R123 N124Y120-I122 VanDerWaalsContact C-N 3.31Å; Y120-I122 PolarHBondContact O-N 3.17Å; Y120-R123 PolarHBondContact O-N 3.36Å; Y120-N124 WeakPolarHBondContact CD2-ND2 2.91Å; Y120-N124 VanDerWaalsContact CE2-ND2 3.29Å; Y120-N124 WeakPolarHBondContact CE2-ND2 2.89Å; Y120-N124 VanDerWaalsContact CZ-ND2 3.35Å; Y120-N124 PolarHBondContact O-N 3.08Å; Y120-N124 PolarHBondContact O-ND2 2.9Å
121F97Very high96.5Very high133 Ų13358 Ų5858%0.58327%0.272SS*.Hα-helixtrans-64.2-34.7-177.577.1-89.6000112.9K119 N124 L125K119-F121 VanDerWaalsContact C-N 3.3Å; K119-F121 HydrophobicContact CB-CD1 3.97Å; K119-F121 HydrophobicContact CB-CE1 3.74Å; K119-F121 HydrophobicContact CB-CZ 4.49Å; K119-F121 HydrophobicContact CG-CE1 4.17Å; K119-F121 PolarHBondContact O-N 3.31Å; F121-N124 PolarHBondContact O-N 2.95Å; F121-L125 PolarHBondContact O-N 2.95Å
122I96.7Very high96.6Very high23 Ų2357.8 Ų57.812%0.11827%0.27CS..Hα-helixtrans-68.5-44.3179.1-66.1-179.6000109.7K119 Y120 N124 L125 W128 S268 F269K119-I122 HydrophobicContact CB-CB 4.2Å; K119-I122 HydrophobicContact CB-CD1 3.96Å; K119-I122 HydrophobicContact CB-CG1 4.01Å; K119-I122 HydrophobicContact CG-CD1 4.17Å; K119-I122 PolarHBondContact O-N 3.1Å; K119-I122 VanDerWaalsContact O-N 3.1Å; Y120-I122 VanDerWaalsContact C-N 3.31Å; Y120-I122 PolarHBondContact O-N 3.17Å; I122-N124 PolarHBondContact O-N 2.8Å; I122-L125 WeakPolarHBondContact O-CG 3.48Å; I122-L125 PolarHBondContact O-N 3.25Å; I122-W128 PolarHBondContact O-NE1 3.06Å; I122-S268 WeakPolarHBondContact CD1-OG 3.29Å; I122-F269 HydrophobicContact CG2-CD1 4.21Å; I122-F269 HydrophobicContact CG2-CE1 3.56Å; I122-F269 HydrophobicContact CG2-CE2 3.96Å; I122-F269 HydrophobicContact CG2-CZ 3.4Å; I122-F269 VanDerWaalsContact CG2-CZ 3.4Å
123R97.3Very high96.6Very high26 Ų2662.9 Ų62.910%0.09829%0.294CS..Hα-helixtrans-65.3-20.2178.3-59.2-177.557.7-141-13.9113.3K119 Y120 L233 T234 E235 F269 N270K119-R123 PolarHBondContact O-N 3.32Å; Y120-R123 PolarHBondContact O-N 3.36Å; R123-L233 WeakPolarHBondContact CG-O 3.35Å; R123-L233 PolarHBondContact NE-O 2.61Å; R123-L233 VanDerWaalsContact NE-O 3.13Å; R123-T234 WeakPolarHBondContact O-CA 3.31Å; R123-E235 IonicContact CZ-OE1 3.75Å; R123-E235 IonicContact NH1-OE1 3.4Å; R123-E235 IonicContact NH2-OE1 3.81Å; R123-E235 PolarHBondContact NH2-OE1 3.26Å; R123-E235 PolarHBondContact O-N 3.02Å; R123-F269 HydrophobicContact CG-CD1 4.36Å; R123-N270 WeakPolarHBondContact CD-OD1 3.32Å; R123-N270 PolarHBondContact NE-OD1 3.19Å
124N97.8Very high96.6Very high59 Ų5961.8 Ų61.832%0.31629%0.289SS..THydrogen-bonded Turntrans-103.27.5-177.3-77.1-81000114.7Y120 F121 I122 E235Y120-N124 WeakPolarHBondContact CD2-ND2 2.91Å; Y120-N124 VanDerWaalsContact CE2-ND2 3.29Å; Y120-N124 WeakPolarHBondContact CE2-ND2 2.89Å; Y120-N124 VanDerWaalsContact CZ-ND2 3.35Å; Y120-N124 PolarHBondContact O-N 3.08Å; Y120-N124 PolarHBondContact O-ND2 2.9Å; F121-N124 PolarHBondContact O-N 2.95Å; I122-N124 PolarHBondContact O-N 2.8Å; N124-E235 WeakPolarHBondContact OD1-CB 3.42Å
125L97.4Very high96.7Very high76 Ų7656.3 Ų56.340%0.39827%0.265SS..  trans-60.5142.3179.2-64.9171.9000112.2F121 I122 I127 W128F121-L125 PolarHBondContact O-N 2.95Å; I122-L125 WeakPolarHBondContact O-CG 3.48Å; I122-L125 PolarHBondContact O-N 3.25Å; L125-I127 HydrophobicContact CB-CG2 3.79Å; L125-I127 HydrophobicContact CD1-CG2 4.46Å; L125-I127 PolarHBondContact O-N 3.43Å; L125-I127 VanDerWaalsContact O-N 3.13Å; L125-W128 HydrophobicContact CD1-CZ2 4.36Å; L125-W128 PolarHBondContact O-N 3.38Å; L125-W128 VanDerWaalsContact O-N 3.15Å
126I96.3Very high97Very high99 Ų9958.1 Ų58.151%0.50828%0.275SS..Hα-helixtrans-60-26.4-179.8-167.662.5000113.3W128 K129 Y130I126-W128 PolarHBondContact O-N 2.88Å; I126-K129 HydrophobicContact CD1-CB 4.25Å; I126-K129 HydrophobicContact CD1-CD 3.96Å; I126-K129 HydrophobicContact CD1-CG 4.39Å; I126-K129 WeakPolarHBondContact O-CB 3.46Å; I126-K129 PolarHBondContact O-N 3.41Å; I126-Y130 HydrophobicContact CB-CE2 4.49Å; I126-Y130 HydrophobicContact CG1-CD2 4.22Å; I126-Y130 HydrophobicContact CG1-CE2 3.67Å; I126-Y130 HydrophobicContact CG2-CE2 4.18Å; I126-Y130 WeakPolarHBondContact O-CD2 3.39Å; I126-Y130 PolarHBondContact O-N 3.17Å; I126-Y130 VanDerWaalsContact O-N 3.12Å
127I97Very high97.1Very high42 Ų4257.8 Ų57.822%0.21527%0.272CS..Hα-helixtrans-55.2-36.7177-164.8177000112S27 L125 Y130 I131S27-I127 VanDerWaalsContact CB-CG1 3.46Å; S27-I127 WeakPolarHBondContact OG-CG1 3.5Å; L125-I127 HydrophobicContact CB-CG2 3.79Å; L125-I127 HydrophobicContact CD1-CG2 4.46Å; L125-I127 PolarHBondContact O-N 3.43Å; L125-I127 VanDerWaalsContact O-N 3.13Å; I127-Y130 PolarHBondContact O-N 3.28Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 2.98Å
128W98Very high97.1Very high13 Ų1360.3 Ų60.35%0.04928%0.283CS..Hα-helixtrans-68.5-37.4179.2-48131.7000111.8F31 I122 L125 I126 Y130 I131 A132 F229 I230 T234 A236 F269F31-W128 HydrophobicContact CD2-CZ3 4.07Å; I122-W128 PolarHBondContact O-NE1 3.06Å; L125-W128 HydrophobicContact CD1-CZ2 4.36Å; L125-W128 PolarHBondContact O-N 3.38Å; L125-W128 VanDerWaalsContact O-N 3.15Å; I126-W128 PolarHBondContact O-N 2.88Å; W128-Y130 VanDerWaalsContact C-N 3.34Å; W128-I131 HydrophobicContact CE3-CD1 3.9Å; W128-I131 HydrophobicContact CZ3-CD1 4.03Å; W128-I131 PolarHBondContact O-N 2.8Å; W128-A132 WeakPolarHBondContact O-CB 3.47Å; W128-A132 PolarHBondContact O-N 3.13Å; W128-F229 HydrophobicContact CE3-CE1 4.13Å; W128-F229 HydrophobicContact CH2-CE1 4.08Å; W128-F229 HydrophobicContact CH2-CZ 4.4Å; W128-F229 AromaticContact CZ3-CE1 3.82Å; W128-F229 HydrophobicContact CZ3-CE1 3.82Å; W128-I230 HydrophobicContact CB-CD1 4.36Å; W128-I230 HydrophobicContact CE3-CD1 3.94Å; W128-T234 HydrophobicContact CB-CG2 4Å; W128-T234 HydrophobicContact CD2-CG2 3.64Å; W128-T234 HydrophobicContact CE3-CG2 4.16Å; W128-T234 HydrophobicContact CG-CG2 3.52Å; W128-A236 HydrophobicContact CB-CB 3.86Å; W128-F269 HydrophobicContact CH2-CE1 4.48Å; W128-F269 HydrophobicContact CH2-CZ 4.06Å; W128-F269 AromaticContact CZ2-CE1 3.81Å; W128-F269 HydrophobicContact CZ2-CE1 3.81Å; W128-F269 AromaticContact CZ2-CZ 3.61Å; W128-F269 HydrophobicContact CZ2-CZ 3.61Å
129K97.3Very high97.2Very high103 Ų10358.2 Ų58.245%0.44827%0.268SS..Hα-helixtrans-62.2-44.6172.5-59.9-166.4-176.2178.90109.8I126 I131 A132 H133I126-K129 HydrophobicContact CD1-CB 4.25Å; I126-K129 HydrophobicContact CD1-CD 3.96Å; I126-K129 HydrophobicContact CD1-CG 4.39Å; I126-K129 WeakPolarHBondContact O-CB 3.46Å; I126-K129 PolarHBondContact O-N 3.41Å; K129-I131 VanDerWaalsContact C-N 3.32Å; K129-I131 PolarHBondContact O-N 3.39Å; K129-A132 CarbonylContact O-C 3.49Å; K129-A132 PolarHBondContact O-N 3.35Å; K129-H133 PolarHBondContact O-N 2.92Å; K129-H133 PolarHBondContact O-ND1 2.95Å
130Y98Very high97Very high56 Ų5654.6 Ų54.622%0.2225%0.254CS..Hα-helixtrans-60.9-38.8177.3-71.6-52.3000113.2F23 Q24 S27 I126 I127 W128 H133 Y134F23-Y130 HydrophobicContact CB-CD1 3.98Å; F23-Y130 HydrophobicContact CB-CD2 3.99Å; F23-Y130 HydrophobicContact CB-CE1 3.83Å; F23-Y130 HydrophobicContact CB-CE2 3.82Å; F23-Y130 HydrophobicContact CB-CG 4.08Å; F23-Y130 HydrophobicContact CD2-CE1 4.44Å; F23-Y130 HydrophobicContact CD2-CE2 4.48Å; F23-Y130 AromaticContact CD2-CZ 3.98Å; F23-Y130 HydrophobicContact CG-CE2 4.18Å; Q24-Y130 HydrophobicContact CG-CD1 4.16Å; Q24-Y130 WeakPolarHBondContact CG-O 3.48Å; S27-Y130 VanDerWaalsContact OG-CB 3.32Å; S27-Y130 WeakPolarHBondContact OG-CB 3.31Å; I126-Y130 HydrophobicContact CB-CE2 4.49Å; I126-Y130 HydrophobicContact CG1-CD2 4.22Å; I126-Y130 HydrophobicContact CG1-CE2 3.67Å; I126-Y130 HydrophobicContact CG2-CE2 4.18Å; I126-Y130 WeakPolarHBondContact O-CD2 3.39Å; I126-Y130 PolarHBondContact O-N 3.17Å; I126-Y130 VanDerWaalsContact O-N 3.12Å; I127-Y130 PolarHBondContact O-N 3.28Å; W128-Y130 VanDerWaalsContact C-N 3.34Å; Y130-H133 PolarHBondContact O-N 3.13Å; Y130-Y134 PolarHBondContact O-N 3Å
131I97.8Very high96.9Very high0 Ų046.5 Ų46.50%022%0.223CC..Hα-helixtrans-66-44.5174.1-63.6169.5000110.8V28 F31 I127 W128 K129 H133 Y134 F135 I226 I230V28-I131 HydrophobicContact CG2-CB 4.4Å; V28-I131 HydrophobicContact CG2-CG1 3.99Å; V28-I131 HydrophobicContact CG2-CG2 4.31Å; F31-I131 HydrophobicContact CB-CD1 3.69Å; F31-I131 HydrophobicContact CD2-CD1 4.19Å; F31-I131 HydrophobicContact CG-CD1 4.02Å; I127-I131 WeakPolarHBondContact O-CG1 3.37Å; I127-I131 PolarHBondContact O-N 2.98Å; W128-I131 HydrophobicContact CE3-CD1 3.9Å; W128-I131 HydrophobicContact CZ3-CD1 4.03Å; W128-I131 PolarHBondContact O-N 2.8Å; K129-I131 VanDerWaalsContact C-N 3.32Å; K129-I131 PolarHBondContact O-N 3.39Å; I131-H133 PolarHBondContact O-N 2.88Å; I131-Y134 PolarHBondContact O-N 3.32Å; I131-F135 HydrophobicContact CG2-CD2 4.01Å; I131-F135 HydrophobicContact CG2-CE2 4.22Å; I131-F135 PolarHBondContact O-N 2.99Å; I131-F135 VanDerWaalsContact O-N 3.09Å; I131-I226 HydrophobicContact CG2-CG2 4.08Å; I131-I230 HydrophobicContact CB-CD1 3.96Å; I131-I230 HydrophobicContact CD1-CD1 4.27Å; I131-I230 HydrophobicContact CG2-CD1 3.75Å; I131-I230 HydrophobicContact CG2-CG1 3.84Å
132A97.8Very high96.6Very high9 Ų940.4 Ų40.47%0.07420%0.197CC..Hα-helixtrans-64.9-17.717700000114.7W128 K129 F135 P136 I137 I230 A236W128-A132 WeakPolarHBondContact O-CB 3.47Å; W128-A132 PolarHBondContact O-N 3.13Å; K129-A132 CarbonylContact O-C 3.49Å; K129-A132 PolarHBondContact O-N 3.35Å; A132-F135 CarbonylContact C-O 3.59Å; A132-F135 CarbonylContact O-C 3.58Å; A132-P136 WeakPolarHBondContact O-CA 3.47Å; A132-I137 HydrophobicContact CB-CB 4.45Å; A132-I137 PolarHBondContact O-N 2.74Å; A132-I137 VanDerWaalsContact O-N 3.08Å; A132-I230 HydrophobicContact CB-CG2 3.94Å; A132-A236 HydrophobicContact CB-CB 3.98Å
133H96.9Very high95.9Very high120 Ų12043 Ų4356%0.55621%0.208SC*.Hα-helixtrans-93.5-27.7170.3-70.788.1000112.5Q24 K129 Y130 I131Q24-H133 HydrophobicContact CG-CB 4.5Å; K129-H133 PolarHBondContact O-N 2.92Å; K129-H133 PolarHBondContact O-ND1 2.95Å; Y130-H133 PolarHBondContact O-N 3.13Å; I131-H133 PolarHBondContact O-N 2.88Å
134Y97.3Very high95.1Very high5 Ų542.6 Ų42.62%0.0221%0.208CC..Hα-helixtrans-68-51.3177.9-176.1-84.7000111.2Q24 I25 V28 Y130 I131 L381 P382 R384Q24-Y134 HydrophobicContact CB-CD2 3.91Å; I25-Y134 HydrophobicContact CG1-CE2 4.02Å; V28-Y134 HydrophobicContact CG1-CD1 4.48Å; V28-Y134 HydrophobicContact CG1-CE1 4.47Å; V28-Y134 HydrophobicContact CG2-CD1 3.76Å; V28-Y134 HydrophobicContact CG2-CD2 4.07Å; V28-Y134 HydrophobicContact CG2-CE1 4.46Å; V28-Y134 HydrophobicContact CG2-CG 3.55Å; Y130-Y134 PolarHBondContact O-N 3Å; I131-Y134 PolarHBondContact O-N 3.32Å; Y134-L381 HydrophobicContact CE2-CD1 4.13Å; Y134-L381 WeakPolarHBondContact OH-CG 3.46Å; Y134-P382 PolarHBondContact OH-O 3.45Å; Y134-R384 HydrophobicContact CD1-CG 3.9Å; Y134-R384 HydrophobicContact CD2-CG 4.21Å; Y134-R384 HydrophobicContact CE1-CB 4.3Å; Y134-R384 HydrophobicContact CE1-CG 3.43Å; Y134-R384 VanDerWaalsContact CE1-CG 3.43Å; Y134-R384 HydrophobicContact CE2-CG 3.8Å; Y134-R384 HydrophobicContact CG-CG 4.27Å
135F97Very high93.7Very high0 Ų042 Ų420%020%0.202CC..THydrogen-bonded Turntrans-98.3112.2161.3-45.9-78.1000103.6V28 I131 A132 I137 I226 M345 P382 Y383 T385 V387V28-F135 HydrophobicContact CB-CE2 4.49Å; V28-F135 HydrophobicContact CG1-CE2 3.86Å; V28-F135 HydrophobicContact CG1-CZ 3.84Å; V28-F135 HydrophobicContact CG2-CD2 4.44Å; V28-F135 HydrophobicContact CG2-CE2 3.73Å; V28-F135 HydrophobicContact CG2-CZ 4.37Å; I131-F135 HydrophobicContact CG2-CD2 4.01Å; I131-F135 HydrophobicContact CG2-CE2 4.22Å; I131-F135 PolarHBondContact O-N 2.99Å; I131-F135 VanDerWaalsContact O-N 3.09Å; A132-F135 CarbonylContact C-O 3.59Å; A132-F135 CarbonylContact O-C 3.58Å; F135-I137 HydrophobicContact CB-CD1 4.25Å; F135-I137 HydrophobicContact CB-CG1 3.79Å; F135-I137 WeakPolarHBondContact O-CG1 3.38Å; F135-I137 PolarHBondContact O-N 3.01Å; F135-I226 HydrophobicContact CD2-CG2 4.29Å; F135-I226 HydrophobicContact CE2-CD1 4.18Å; F135-I226 HydrophobicContact CE2-CG2 4.31Å; F135-I226 HydrophobicContact CZ-CD1 4.28Å; F135-M345 HydrophobicContact CD1-CE 4.18Å; F135-M345 HydrophobicContact CD1-CG 4.02Å; F135-M345 HydrophobicContact CD1-SD 4.3Å; F135-M345 HydrophobicContact CE1-CB 4.43Å; F135-M345 HydrophobicContact CE1-CG 3.85Å; F135-M345 HydrophobicContact CE1-SD 4.12Å; F135-M345 HydrophobicContact CG-CE 4.29Å; F135-M345 HydrophobicContact CZ-SD 4.44Å; F135-P382 HydrophobicContact CE1-CB 3.88Å; F135-P382 HydrophobicContact CZ-CB 3.72Å; F135-P382 HydrophobicContact CZ-CG 3.88Å; F135-Y383 WeakPolarHBondContact CE1-O 3.41Å; F135-T385 VanDerWaalsContact CA-O 3.31Å; F135-T385 WeakPolarHBondContact CA-O 3.21Å; F135-T385 WeakPolarHBondContact CB-O 3.26Å; F135-T385 HydrophobicContact CD1-CG2 4.31Å; F135-V387 HydrophobicContact CB-CG2 3.84Å
136P97.3Very high91.9Very high48 Ų4842 Ų4231%0.31220%0.203SC..THydrogen-bonded Turntrans-60.782.6176.7-29.739.6000110.9A132 D386 V387A132-P136 WeakPolarHBondContact O-CA 3.47Å; P136-D386 WeakPolarHBondContact CB-OD1 3.43Å; P136-D386 WeakPolarHBondContact CD-OD1 3.38Å; P136-D386 WeakPolarHBondContact CG-OD1 3.31Å; P136-V387 PolarHBondContact O-N 3.36Å
137I98Very high90Very high4 Ų440.3 Ų40.32%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-82.9123.8-172.2-52.9-167.3000107.5A132 F135 I226 I230 N231 N237 V387A132-I137 HydrophobicContact CB-CB 4.45Å; A132-I137 PolarHBondContact O-N 2.74Å; A132-I137 VanDerWaalsContact O-N 3.08Å; F135-I137 HydrophobicContact CB-CD1 4.25Å; F135-I137 HydrophobicContact CB-CG1 3.79Å; F135-I137 WeakPolarHBondContact O-CG1 3.38Å; F135-I137 PolarHBondContact O-N 3.01Å; I137-I226 HydrophobicContact CD1-CG2 4.21Å; I137-I230 HydrophobicContact CB-CG2 4.45Å; I137-I230 HydrophobicContact CD1-CB 3.7Å; I137-I230 HydrophobicContact CD1-CG1 3.75Å; I137-I230 HydrophobicContact CD1-CG2 3.93Å; I137-I230 HydrophobicContact CG2-CG2 4.42Å; I137-N231 WeakPolarHBondContact CG2-ND2 3.41Å; I137-N231 WeakPolarHBondContact CG2-OD1 3.43Å; I137-N237 WeakPolarHBondContact CG2-ND2 3.39Å; I137-N237 PolarHBondContact O-ND2 3.04Å; I137-N237 PolarHBondContact O-OD1 3.47Å; I137-V387 CarbonylContact C-O 3.55Å; I137-V387 WeakPolarHBondContact CA-O 3.46Å; I137-V387 HydrophobicContact CB-CB 4.43Å; I137-V387 HydrophobicContact CG1-CB 4.02Å; I137-V387 HydrophobicContact CG1-CG2 4.42Å; I137-V387 HydrophobicContact CG2-CB 4.39Å; I137-V387 HydrophobicContact CG2-CG1 4.35Å
138K96.2Very high88.1Confident121 Ų12140.6 Ų40.653%0.52620%0.196SC..EExtended strand (participates in β ladder)trans-124.6140.4175.8-64179.3-177.1172.80110.6V140 V387 T389K138-V140 HydrophobicContact CB-CG2 4.31Å; K138-V387 PolarHBondContact N-O 3.04Å; K138-T389 PolarHBondContact O-N 3.13Å
139L96.5Very high85.9Confident9 Ų945 Ų455%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-103.4116.5169.2-170.862.4000109.1N231 F232 N237 F239 K242 F243 T389 I391L139-N231 HydrophobicContact CD1-CB 4.05Å; L139-F232 HydrophobicContact CD1-CE1 4.19Å; L139-F232 HydrophobicContact CD1-CZ 4.21Å; L139-N237 HydrophobicContact CB-CB 4.49Å; L139-F239 HydrophobicContact CD2-CD2 3.67Å; L139-F239 HydrophobicContact CD2-CE2 4.26Å; L139-K242 HydrophobicContact CD2-CD 4.38Å; L139-K242 PolarHBondContact O-NZ 3.15Å; L139-F243 HydrophobicContact CD2-CE2 3.96Å; L139-T389 HydrophobicContact CD1-CG2 3.96Å; L139-I391 HydrophobicContact CD1-CD1 3.58Å; L139-I391 HydrophobicContact CD1-CG1 3.95Å; L139-I391 HydrophobicContact CD2-CD1 4.3Å; L139-I391 HydrophobicContact CG-CD1 4.07Å
140V94.2Very high83.5Confident22 Ų2245.5 Ų45.513%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-120.4138.5-172.3-177.90000109.3K138 Y145 T389 V390 I391K138-V140 HydrophobicContact CB-CG2 4.31Å; V140-Y145 HydrophobicContact CG1-CD2 4.4Å; V140-T389 PolarHBondContact N-O 2.95Å; V140-V390 HydrophobicContact CB-CG2 4.35Å; V140-V390 HydrophobicContact CG1-CG1 4.49Å; V140-V390 CarbonylContact O-C 3.49Å; V140-V390 WeakPolarHBondContact O-CA 3.39Å; V140-I391 PolarHBondContact O-N 3.38Å
141I93.5Very high81Confident9 Ų946 Ų465%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-106.3126.1175.7-55.1177.3000107.6E143 L144 Y145 I204 L207 F208 F243I141-E143 VanDerWaalsContact C-N 3.3Å; I141-E143 PolarHBondContact O-N 2.8Å; I141-L144 HydrophobicContact CB-CB 4.42Å; I141-L144 HydrophobicContact CB-CD1 4.19Å; I141-L144 HydrophobicContact CB-CG 4.14Å; I141-L144 HydrophobicContact CD1-CD1 4.05Å; I141-L144 HydrophobicContact CG2-CG 4.25Å; I141-L144 PolarHBondContact O-N 2.9Å; I141-Y145 PolarHBondContact O-N 2.92Å; I141-I204 HydrophobicContact CD1-CD1 3.44Å; I141-I204 VanDerWaalsContact CD1-CD1 3.44Å; I141-I204 HydrophobicContact CD1-CG1 3.57Å; I141-I204 HydrophobicContact CD1-CG2 4.41Å; I141-L207 HydrophobicContact CG2-CD2 4.09Å; I141-F208 HydrophobicContact CG2-CE2 4.26Å; I141-F243 HydrophobicContact CD1-CE1 3.84Å; I141-F243 HydrophobicContact CD1-CE2 3.96Å; I141-F243 HydrophobicContact CD1-CZ 3.39Å; I141-F243 HydrophobicContact CG1-CE1 4.44Å; I141-F243 HydrophobicContact CG1-CE2 4.34Å; I141-F243 HydrophobicContact CG1-CZ 3.7Å
142S91.1Very high78.2Confident4 Ų451.5 Ų51.53%0.02826%0.255CS..Hα-helixtrans-58.8-40.1-170.163.90000113.7L144 Y145 I391 Y426S142-L144 VanDerWaalsContact C-N 3.34Å; S142-L144 PolarHBondContact O-N 2.97Å; S142-Y145 WeakPolarHBondContact O-CB 3.25Å; S142-Y145 PolarHBondContact O-N 2.89Å; S142-I391 WeakPolarHBondContact CB-O 3.36Å; S142-I391 PolarHBondContact N-O 2.79Å; S142-I391 PolarHBondContact OG-O 3.31Å; S142-Y426 VanDerWaalsContact CA-OH 3.25Å; S142-Y426 WeakPolarHBondContact CA-OH 3.45Å; S142-Y426 PolarHBondContact O-OH 3.39Å
143E82.1Confident75Confident78 Ų7857.5 Ų57.536%0.36428%0.282SS..Hα-helixtrans-73.3-25.7-176.7-60.1-46.9120.400113I141 Y145 L207I141-E143 VanDerWaalsContact C-N 3.3Å; I141-E143 PolarHBondContact O-N 2.8Å; E143-Y145 VanDerWaalsContact C-N 3.32Å; E143-L207 HydrophobicContact CB-CD2 4.04Å; E143-L207 HydrophobicContact CG-CD1 4.41Å; E143-L207 HydrophobicContact CG-CD2 3.74Å
144L80.4Confident71.8Confident17 Ų1755 Ų559%0.08928%0.282CS..Hα-helixtrans-82.5-13.1177.6-61.6-171.8000113.3I141 S142 N147 N148 N200 C203 I204I141-L144 HydrophobicContact CB-CB 4.42Å; I141-L144 HydrophobicContact CB-CD1 4.19Å; I141-L144 HydrophobicContact CB-CG 4.14Å; I141-L144 HydrophobicContact CD1-CD1 4.05Å; I141-L144 HydrophobicContact CG2-CG 4.25Å; I141-L144 PolarHBondContact O-N 2.9Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-L144 PolarHBondContact O-N 2.97Å; L144-N147 PolarHBondContact O-N 2.84Å; L144-N148 PolarHBondContact O-N 3.33Å; L144-N148 VanDerWaalsContact O-N 3.15Å; L144-N148 PolarHBondContact O-ND2 2.6Å; L144-N148 VanDerWaalsContact O-ND2 3.15Å; L144-N200 HydrophobicContact CD1-CB 4.02Å; L144-N200 HydrophobicContact CD2-CB 4.29Å; L144-C203 HydrophobicContact CD2-CB 3.81Å; L144-I204 HydrophobicContact CD1-CD1 3.66Å; L144-I204 HydrophobicContact CD1-CG1 3.69Å; L144-I204 HydrophobicContact CG-CG1 4.41Å
145Y67.8Low68.6Low46 Ų4658.6 Ų58.618%0.1830%0.304CS..Hα-helixtrans-67.1-40.4-175.7-171-97.8000112.3V140 I141 S142 E143 N148 K149 Y426 I429V140-Y145 HydrophobicContact CG1-CD2 4.4Å; I141-Y145 PolarHBondContact O-N 2.92Å; S142-Y145 WeakPolarHBondContact O-CB 3.25Å; S142-Y145 PolarHBondContact O-N 2.89Å; E143-Y145 VanDerWaalsContact C-N 3.32Å; Y145-N148 PolarHBondContact O-N 2.76Å; Y145-K149 HydrophobicContact CE1-CD 4.27Å; Y145-K149 PolarHBondContact O-N 2.97Å; Y145-Y426 WeakPolarHBondContact CB-OH 2.91Å; Y145-Y426 AromaticContact CD1-CE1 3.88Å; Y145-Y426 HydrophobicContact CD1-CE1 3.88Å; Y145-Y426 AromaticContact CD2-CE1 3.83Å; Y145-Y426 HydrophobicContact CD2-CE1 3.83Å; Y145-Y426 HydrophobicContact CE1-CE1 4.29Å; Y145-Y426 HydrophobicContact CE2-CE1 4.26Å; Y145-Y426 AromaticContact CG-CE1 3.63Å; Y145-Y426 HydrophobicContact CG-CE1 3.63Å; Y145-I429 HydrophobicContact CE1-CD1 3.61Å; Y145-I429 HydrophobicContact CE2-CD1 4.5Å; Y145-I429 WeakPolarHBondContact OH-CD1 3.38Å
146N59.1Low65.2Low78 Ų7865.3 Ų65.342%0.41734%0.336SS..Hα-helixtrans-68.8-43176.8-71.1-2.5000111.1N148 K149 D150N146-N148 PolarHBondContact O-N 3.1Å; N146-N148 VanDerWaalsContact O-N 3.1Å; N146-K149 PolarHBondContact O-N 3.05Å; N146-D150 PolarHBondContact O-N 3.25Å
147N56.5Low61.8Low63 Ų6368.7 Ų68.734%0.33736%0.355SS..Hα-helixtrans-55.6-30.6174.5-68.7-8.1000112.6L144 N151L144-N147 PolarHBondContact O-N 2.84Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-ND2 3.4Å
148N56.9Low58.3Low48 Ų4872.5 Ų72.526%0.25738%0.379SS..Hα-helixtrans-77.7-36.8177.5-71-34.3000113L144 Y145 N146 E152 K196L144-N148 PolarHBondContact O-N 3.33Å; L144-N148 VanDerWaalsContact O-N 3.15Å; L144-N148 PolarHBondContact O-ND2 2.6Å; L144-N148 VanDerWaalsContact O-ND2 3.15Å; Y145-N148 PolarHBondContact O-N 2.76Å; N146-N148 PolarHBondContact O-N 3.1Å; N146-N148 VanDerWaalsContact O-N 3.1Å; N148-E152 WeakPolarHBondContact O-CG 3.43Å; N148-E152 PolarHBondContact O-N 3.12Å; N148-K196 WeakPolarHBondContact OD1-CE 3.27Å
149K51.4Low55Low106 Ų10675.8 Ų75.846%0.46140%0.396SS..Hα-helixtrans-70.1-43.9176.5-86.7-169.7173.8-173.90113Y145 N146 N151 E152 H153Y145-K149 HydrophobicContact CE1-CD 4.27Å; Y145-K149 PolarHBondContact O-N 2.97Å; N146-K149 PolarHBondContact O-N 3.05Å; K149-N151 PolarHBondContact O-N 3.34Å; K149-E152 PolarHBondContact O-N 2.72Å; K149-H153 PolarHBondContact O-N 3.22Å
150D47.9Very low51.7Low112 Ų11280.9 Ų80.960%0.59943%0.433SS*.Hα-helixtrans-64.6-31.6-179.5-63.6-27.8000111.3N146 A154N146-D150 PolarHBondContact O-N 3.25Å; D150-A154 PolarHBondContact O-N 2.97Å
151N45.6Very low48.4Very low66 Ų6684 Ų8435%0.35346%0.456SS..Hα-helixtrans-81.1-30.5175.7-73.3-42.4000113.6N147 K149 H153 A154 T155N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-ND2 3.4Å; K149-N151 PolarHBondContact O-N 3.34Å; N151-H153 VanDerWaalsContact C-N 3.35Å; N151-A154 WeakPolarHBondContact O-CB 3.44Å; N151-A154 PolarHBondContact O-N 3.43Å; N151-T155 PolarHBondContact O-N 2.85Å; N151-T155 PolarHBondContact O-OG1 2.9Å
152E38.3Very low45.2Very low116 Ų11691.8 Ų91.854%0.54250%0.495SS..Hα-helixtrans-63.3-40.4172.8-82.7172.3-172.900111.4N148 K149 A154 T155 E156N148-E152 WeakPolarHBondContact O-CG 3.43Å; N148-E152 PolarHBondContact O-N 3.12Å; K149-E152 PolarHBondContact O-N 2.72Å; E152-A154 VanDerWaalsContact C-N 3.32Å; E152-A154 PolarHBondContact O-N 2.99Å; E152-T155 PolarHBondContact O-N 3.45Å; E152-E156 PolarHBondContact O-N 3.49Å; E152-E156 VanDerWaalsContact O-N 3.09Å
153H31.4Very low41.7Very low136 Ų136100.3 Ų100.363%0.6354%0.537SS*.Hα-helixtrans-68.2-27172-83.7-27.2000114K149 N151 T155 E156K149-H153 PolarHBondContact O-N 3.22Å; N151-H153 VanDerWaalsContact C-N 3.35Å; H153-T155 VanDerWaalsContact C-N 3.28Å; H153-E156 IonicContact CE1-OE2 3.55Å; H153-E156 IonicContact ND1-OE2 2.9Å; H153-E156 PolarHBondContact ND1-OE2 2.87Å
154A29.5Very low39Very low67 Ų67101 Ų10155%0.55456%0.556SS**Hα-helixtrans-71.4-25.1169.500000112.4D150 N151 E152D150-A154 PolarHBondContact O-N 2.97Å; N151-A154 WeakPolarHBondContact O-CB 3.44Å; N151-A154 PolarHBondContact O-N 3.43Å; E152-A154 VanDerWaalsContact C-N 3.32Å; E152-A154 PolarHBondContact O-N 2.99Å
155T29.2Very low36.3Very low81 Ų81107.9 Ų107.950%0.49759%0.593SS.*Hα-helixtrans-87.8-21.8-178.1-34.80000112.6N151 E152 H153 V157 T158N151-T155 PolarHBondContact O-N 2.85Å; N151-T155 PolarHBondContact O-OG1 2.9Å; E152-T155 PolarHBondContact O-N 3.45Å; H153-T155 VanDerWaalsContact C-N 3.28Å; T155-V157 PolarHBondContact O-N 3.29Å; T155-V157 VanDerWaalsContact O-N 3.12Å; T155-T158 PolarHBondContact O-N 3.48Å
156E25.8Very low34.1Very low140 Ų140114.9 Ų114.965%0.65463%0.627SS**THydrogen-bonded Turntrans-66.9-4.8173.7-81.8179.5149.600114.3E152 H153E152-E156 PolarHBondContact O-N 3.49Å; E152-E156 VanDerWaalsContact O-N 3.09Å; H153-E156 IonicContact CE1-OE2 3.55Å; H153-E156 IonicContact ND1-OE2 2.9Å; H153-E156 PolarHBondContact ND1-OE2 2.87Å
157V27Very low32.2Very low119 Ų119116.3 Ų116.372%0.72164%0.643SS**THydrogen-bonded Turntrans-95.60179.2-176.90000113.5T155T155-V157 PolarHBondContact O-N 3.29Å; T155-V157 VanDerWaalsContact O-N 3.12Å
158T24.8Very low30.5Very low84 Ų84118.5 Ų118.552%0.51566%0.662SS.*  trans-126.752.6179.739.10000113.5T155 S160T155-T158 PolarHBondContact O-N 3.48Å; T158-S160 VanDerWaalsContact C-N 3.32Å
159E26Very low28.7Very low190 Ų190122.9 Ų122.989%0.88869%0.686SS**  trans-88.510.5164.6-89.4-169.6161.700113.8
160S26.5Very low27.4Very low117 Ų117124.5 Ų124.582%0.81870%0.699SS**SBendtrans-99.112.4178.369.30000115.6T158T158-S160 VanDerWaalsContact C-N 3.32Å
161S25Very low26.1Very low88 Ų88125.7 Ų125.762%0.61571%0.706SS**  trans-138.360.2-178.154.50000113.9
162I25.9Very low25.1Very low172 Ų172130.7 Ų130.788%0.88273%0.732SS**  trans-13473.6151.2-52.8178.8000107.6
163M19.4Very low24.3Very low183 Ų183134 Ų13490%0.90175%0.748SS**  trans-133.5123.6162.3-84.2-77.5171.300106.9
164A23.7Very low24.1Very low92 Ų92136.8 Ų136.876%0.7676%0.761SS**  trans68.5108.5169.900000117.8
165D25.2Very low23.8Very low161 Ų161142.6 Ų142.686%0.86178%0.777SS**  -145.295112.7-111.8-22.5000110.3
166Q20.5Very low23.6Very low193 Ų193146.7 Ų146.790%0.90280%0.796SS**  trans-94110.2154.6-77.7179.3-40.500106.2
167S20.4Very low23.5Very low109 Ų109148.9 Ų148.976%0.76281%0.806SS**  trans-163.3135.6143.752.70000110.5
168C20.2Very low23.5Very low109 Ų109150.9 Ų150.974%0.73681%0.813SS**  trans-73.2173.5175-58.60000111.4
169D19.6Very low23.7Very low139 Ų139151.9 Ų151.974%0.74382%0.823SS**  trans88.7105.1155.7-54.9-23.6000117.7
170N23.8Very low23.6Very low140 Ų140149.1 Ų149.175%0.74981%0.814SS**  -178.1134.188.5-92.8-57.7000112.5
171N19.8Very low23.5Very low138 Ų138151.2 Ų151.274%0.73882%0.816SS**  trans-3122.7149.3-54.8-40.5000116.8
172N25.8Very low23.6Very low170 Ų170155.4 Ų155.491%0.90982%0.823SS**  trans-145.6120130.8-84.5-37.9000108.1
173E21.7Very low23.5Very low186 Ų186153.8 Ų153.887%0.86982%0.815SS**  trans-61127.6166.4-61.8169.1161.300108.7
174E25.7Very low23.8Very low195 Ų195150.7 Ų150.791%0.91181%0.81SS**  trans-172.5128.8135.8-103.8171.8-166.100108.7D176E174-D176 PolarHBondContact O-N 3.43Å
175E23.1Very low23.8Very low188 Ų188153.2 Ų153.288%0.87982%0.817SS**  trans-65.8122.1-178.3-63.3175141.900110.6
176D26.5Very low23.8Very low167 Ų167152.4 Ų152.489%0.89381%0.808SS**  trans-143.6106.6154.3-115.2-20.3000110.5E174 N178E174-D176 PolarHBondContact O-N 3.43Å; D176-N178 PolarHBondContact O-N 3.22Å; D176-N178 VanDerWaalsContact O-N 3.09Å
177Q22.8Very low24.3Very low187 Ų187149.6 Ų149.687%0.87480%0.804SS**  trans-71.593.6178.1-70.1178.7-12.900110.1
178N27.5Very low24.9Very low160 Ų160150.6 Ų150.686%0.85680%0.799SS**  trans-162.151.1158.1-107.4-23.1000113.5D176 N180D176-N178 PolarHBondContact O-N 3.22Å; D176-N178 VanDerWaalsContact O-N 3.09Å; N178-N180 PolarHBondContact O-N 2.68Å
179S28.2Very low26Very low105 Ų105150.1 Ų150.173%0.73478%0.782SS**  trans-81.7-0.9-171.1-162.40000116.3
180N24.6Very low27.2Very low132 Ų132147.9 Ų147.971%0.70677%0.77SS**SBendtrans-109.6-5.5-168.8-74.6-24.5000117.7N178N178-N180 PolarHBondContact O-N 2.68Å
181D25.4Very low28.5Very low161 Ų161150.3 Ų150.386%0.86177%0.774SS**SBendtrans-108.514.4-176.3-80.8-11.2000115.8
182K26Very low30.3Very low176 Ų176150.7 Ų150.777%0.76577%0.771SS**  trans-110.27.4171.4-79.5-177.41801730114.8C184K182-C184 PolarHBondContact O-N 3.37Å
183I23.9Very low32.1Very low138 Ų138145.8 Ų145.871%0.70875%0.745SS**THydrogen-bonded Turntrans-84111.5178.2-59.8171.9000108.5
184C25.3Very low33.6Very low118 Ų118143.2 Ų143.280%0.79773%0.728SS**THydrogen-bonded Turntrans9946.1168.3-142.40000118.6K182K182-C184 PolarHBondContact O-N 3.37Å
185T24.5Very low35.8Very low146 Ų146137.4 Ų137.490%0.89671%0.707SS**  trans-145.832.1143.6-1.30000113.6
186Q24.5Very low38.2Very low144 Ų144131.1 Ų131.167%0.67368%0.677SS**  trans-103.477.4171.7-68.5-179-10.500109.3I188Q186-I188 PolarHBondContact O-N 2.95Å; Q186-I188 VanDerWaalsContact O-N 3.13Å
187T31.1Very low40.3Very low133 Ų133127 Ų12782%0.81665%0.649SS**  trans-67.6100.6142.4-51.50000104R189T187-R189 PolarHBondContact O-N 3.3Å
188I33.2Very low42.8Very low131 Ų131124.4 Ų124.467%0.67264%0.638SS**  trans-58.893.4168.6-61.2170.5000104.9Q186 N190Q186-I188 PolarHBondContact O-N 2.95Å; Q186-I188 VanDerWaalsContact O-N 3.13Å; I188-N190 PolarHBondContact O-N 3.43Å
189R43.3Very low45.4Very low99 Ų99121.9 Ų121.937%0.37462%0.624SS.*  trans-58.7120.4160.7-90.3-172.8-87.6-150.5-11.9104.4T187 D193 Y194 Y197 E241T187-R189 PolarHBondContact O-N 3.3Å; R189-D193 HydrophobicContact CB-CB 4.37Å; R189-Y194 HydrophobicContact CB-CE2 4.32Å; R189-Y197 VanDerWaalsContact NH1-CD2 3.31Å; R189-Y197 VanDerWaalsContact NH1-CE2 3.27Å; R189-E241 IonicContact CZ-OE1 3.86Å; R189-E241 IonicContact NH1-OE1 3.34Å; R189-E241 PolarHBondContact NH1-OE1 3.14Å; R189-E241 IonicContact NH2-OE1 3.47Å; R189-E241 PolarHBondContact NH2-OE1 3.06Å
190N45.1Very low48Very low91 Ų91118.2 Ų118.249%0.48760%0.596SS.*  trans-55.7148.4177.9-78.3-23.4000107.9I188 E192 D193I188-N190 PolarHBondContact O-N 3.43Å; N190-E192 HydrophobicContact CB-CB 4.47Å; N190-E192 PolarHBondContact O-N 3.37Å; N190-D193 PolarHBondContact N-OD2 3.43Å; N190-D193 VanDerWaalsContact N-OD2 3.15Å; N190-D193 WeakPolarHBondContact O-CB 3.5Å; N190-D193 PolarHBondContact O-N 2.78Å
191K51.3Low50.7Low191 Ų191113.5 Ų113.583%0.8357%0.571SS**THydrogen-bonded Turntrans-53.4-27.3177.3-163.3175.5178.8-178.70111.7
192E57.3Low53.4Low146 Ų146108.4 Ų108.468%0.68255%0.551SS**THydrogen-bonded Turntrans-69.6-26175-63.9173176.600114.4N190 P195N190-E192 HydrophobicContact CB-CB 4.47Å; N190-E192 PolarHBondContact O-N 3.37Å; E192-P195 WeakPolarHBondContact O-CD 3.17Å
193D63.3Low56.3Low67 Ų67101.6 Ų101.636%0.35853%0.525SS..Hα-helixtrans-79.3-19.6179.6-67.8-42.7000112.8R189 N190 K196 Y197R189-D193 HydrophobicContact CB-CB 4.37Å; N190-D193 PolarHBondContact N-OD2 3.43Å; N190-D193 VanDerWaalsContact N-OD2 3.15Å; N190-D193 WeakPolarHBondContact O-CB 3.5Å; N190-D193 PolarHBondContact O-N 2.78Å; D193-K196 PolarHBondContact O-N 3.25Å; D193-Y197 WeakPolarHBondContact O-CB 3.44Å; D193-Y197 PolarHBondContact O-N 3.35Å
194Y53.6Low59.4Low133 Ų13395.5 Ų95.552%0.52249%0.494SS..Hα-helixtrans-61.9-50.3-177-79.7-89.1000113R189 K196 Y197 E198R189-Y194 HydrophobicContact CB-CE2 4.32Å; Y194-K196 VanDerWaalsContact C-N 3.31Å; Y194-K196 PolarHBondContact O-N 3.38Å; Y194-Y197 PolarHBondContact O-N 2.85Å; Y194-E198 WeakPolarHBondContact O-CB 3.36Å; Y194-E198 PolarHBondContact O-N 2.7Å
195P70.9Confident62.4Low73 Ų7395 Ų9547%0.47448%0.479SS..Hα-helixtrans-60-39.4176.1-23.233.3000112.8E192 E198 N199E192-P195 WeakPolarHBondContact O-CD 3.17Å; P195-E198 PolarHBondContact O-N 3.18Å; P195-N199 WeakPolarHBondContact O-CB 3.04Å; P195-N199 VanDerWaalsContact O-CG 3.27Å; P195-N199 PolarHBondContact O-N 2.91Å; P195-N199 PolarHBondContact O-ND2 3.29Å
196K73Confident65.6Low56 Ų5695.9 Ų95.924%0.24347%0.472CS..Hα-helixtrans-63.6-44.5177.8-176.5176.6-178.4175.30111.5N148 D193 Y194 N200N148-K196 WeakPolarHBondContact OD1-CE 3.27Å; D193-K196 PolarHBondContact O-N 3.25Å; Y194-K196 VanDerWaalsContact C-N 3.31Å; Y194-K196 PolarHBondContact O-N 3.38Å; K196-N200 WeakPolarHBondContact O-CB 3.48Å; K196-N200 PolarHBondContact O-N 2.88Å
197Y72.4Confident68.9Low79 Ų7990.8 Ų90.831%0.3145%0.449SS..Hα-helixtrans-63.4-44.1175.7176.3-96.6000111.9R189 D193 Y194 N200 L201 E241R189-Y197 VanDerWaalsContact NH1-CD2 3.31Å; R189-Y197 VanDerWaalsContact NH1-CE2 3.27Å; D193-Y197 WeakPolarHBondContact O-CB 3.44Å; D193-Y197 PolarHBondContact O-N 3.35Å; Y194-Y197 PolarHBondContact O-N 2.85Å; Y197-N200 PolarHBondContact O-N 3.35Å; Y197-L201 HydrophobicContact CE1-CD2 4.21Å; Y197-L201 WeakPolarHBondContact O-CB 3.28Å; Y197-L201 PolarHBondContact O-N 3.15Å; Y197-E241 HydrophobicContact CE2-CG 4.41Å; Y197-E241 WeakPolarHBondContact OH-CG 2.98Å; Y197-E241 PolarHBondContact OH-OE1 3.09Å
198E75.4Confident72Confident134 Ų13484.6 Ų84.663%0.62641%0.411SS*.Hα-helixtrans-63.1-43.5179-170.9171-169.700112Y194 P195 L201 A202Y194-E198 WeakPolarHBondContact O-CB 3.36Å; Y194-E198 PolarHBondContact O-N 2.7Å; P195-E198 PolarHBondContact O-N 3.18Å; E198-L201 PolarHBondContact O-N 3.42Å; E198-A202 WeakPolarHBondContact O-CB 3.42Å; E198-A202 PolarHBondContact O-N 3.47Å
199N80.2Confident75Confident107 Ų10779.9 Ų79.957%0.57239%0.389SS*.Hα-helixtrans-62.3-45.1174.8-74.4-21.6000112.4P195 L201 A202 C203P195-N199 WeakPolarHBondContact O-CB 3.04Å; P195-N199 VanDerWaalsContact O-CG 3.27Å; P195-N199 PolarHBondContact O-N 2.91Å; P195-N199 PolarHBondContact O-ND2 3.29Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 3.46Å; N199-A202 PolarHBondContact O-N 2.9Å; N199-C203 WeakPolarHBondContact O-CB 3.46Å; N199-C203 PolarHBondContact O-N 2.89Å
200N83.4Confident77.6Confident27 Ų2777.5 Ų77.514%0.14439%0.387CS..Hα-helixtrans-60.9-43175.5-76.9-16.2000111.1L144 K196 Y197 C203 I204L144-N200 HydrophobicContact CD1-CB 4.02Å; L144-N200 HydrophobicContact CD2-CB 4.29Å; K196-N200 WeakPolarHBondContact O-CB 3.48Å; K196-N200 PolarHBondContact O-N 2.88Å; Y197-N200 PolarHBondContact O-N 3.35Å; N200-C203 PolarHBondContact O-N 3.49Å; N200-I204 VanDerWaalsContact O-CG1 3.24Å; N200-I204 WeakPolarHBondContact O-CG1 3.13Å; N200-I204 PolarHBondContact O-N 3.35Å
201L81.3Confident80.1Confident33 Ų3376.8 Ų76.817%0.17339%0.389CS..Hα-helixtrans-65.2-40.1178.5-170.164.9000112.2Y197 E198 N199 I204 K205 P244Y197-L201 HydrophobicContact CE1-CD2 4.21Å; Y197-L201 WeakPolarHBondContact O-CB 3.28Å; Y197-L201 PolarHBondContact O-N 3.15Å; E198-L201 PolarHBondContact O-N 3.42Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 3.46Å; L201-I204 PolarHBondContact O-N 2.84Å; L201-K205 WeakPolarHBondContact O-CG 3.29Å; L201-K205 PolarHBondContact O-N 3.03Å; L201-P244 HydrophobicContact CD1-CG 3.71Å
202A83.5Confident82.3Confident55 Ų5570.1 Ų70.146%0.45536%0.362SS..Hα-helixtrans-62-47.9175.300000111.2E198 N199 I204 K205 E206E198-A202 WeakPolarHBondContact O-CB 3.42Å; E198-A202 PolarHBondContact O-N 3.47Å; N199-A202 PolarHBondContact O-N 2.9Å; A202-I204 VanDerWaalsContact C-N 3.35Å; A202-I204 PolarHBondContact O-N 3.41Å; A202-K205 PolarHBondContact O-N 3.31Å; A202-E206 PolarHBondContact O-N 2.87Å
203C85.2Confident84.2Confident33 Ų3363.6 Ų63.622%0.22333%0.332CS..Hα-helixtrans-60.7-41.2176.7179.30000112.2L144 N199 N200 E206 L207L144-C203 HydrophobicContact CD2-CB 3.81Å; N199-C203 WeakPolarHBondContact O-CB 3.46Å; N199-C203 PolarHBondContact O-N 2.89Å; N200-C203 PolarHBondContact O-N 3.49Å; C203-E206 PolarHBondContact O-N 2.92Å; C203-L207 VanDerWaalsContact O-CB 3.27Å; C203-L207 WeakPolarHBondContact O-CB 3.39Å; C203-L207 PolarHBondContact O-N 2.82Å
204I88.8Confident85.9Confident9 Ų960.4 Ų60.45%0.04632%0.315CS..Hα-helixtrans-65.6-41.4176.3-63166.2000111.4I141 L144 N200 L201 A202 E206 L207 F208 K242 F243I141-I204 HydrophobicContact CD1-CD1 3.44Å; I141-I204 VanDerWaalsContact CD1-CD1 3.44Å; I141-I204 HydrophobicContact CD1-CG1 3.57Å; I141-I204 HydrophobicContact CD1-CG2 4.41Å; L144-I204 HydrophobicContact CD1-CD1 3.66Å; L144-I204 HydrophobicContact CD1-CG1 3.69Å; L144-I204 HydrophobicContact CG-CG1 4.41Å; N200-I204 VanDerWaalsContact O-CG1 3.24Å; N200-I204 WeakPolarHBondContact O-CG1 3.13Å; N200-I204 PolarHBondContact O-N 3.35Å; L201-I204 PolarHBondContact O-N 2.84Å; A202-I204 VanDerWaalsContact C-N 3.35Å; A202-I204 PolarHBondContact O-N 3.41Å; I204-E206 VanDerWaalsContact C-N 3.26Å; I204-E206 PolarHBondContact O-N 2.9Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-F208 HydrophobicContact CG2-CB 4.49Å; I204-F208 HydrophobicContact CG2-CD2 4.18Å; I204-F208 WeakPolarHBondContact O-CA 3.49Å; I204-F208 WeakPolarHBondContact O-CB 3.29Å; I204-F208 PolarHBondContact O-N 3.48Å; I204-K242 WeakPolarHBondContact CD1-O 3.47Å; I204-K242 VanDerWaalsContact CG2-O 3.31Å; I204-K242 WeakPolarHBondContact CG2-O 3.44Å; I204-F243 HydrophobicContact CG2-CD1 3.81Å; I204-F243 HydrophobicContact CG2-CE1 4.14Å; I204-F243 HydrophobicContact CG2-CG 4.47Å
205K89.4Confident88.1Confident109 Ų10954 Ų5447%0.47429%0.29SS..Hα-helixtrans-63.9-33.6178-75.8174.7178.7177.50112.4L201 A202 P209 P244L201-K205 WeakPolarHBondContact O-CG 3.29Å; L201-K205 PolarHBondContact O-N 3.03Å; A202-K205 PolarHBondContact O-N 3.31Å; K205-P209 WeakPolarHBondContact O-CA 3.36Å; K205-P244 HydrophobicContact CD-CG 4.47Å; K205-P244 HydrophobicContact CG-CG 3.97Å
206E91.7Very high89.4Confident164 Ų16450.6 Ų50.677%0.76627%0.267SS*.Hα-helixtrans-72.1-42.4174.1-174.7179.5177.900111.9A202 C203 I204 P209A202-E206 PolarHBondContact O-N 2.87Å; C203-E206 PolarHBondContact O-N 2.92Å; I204-E206 VanDerWaalsContact C-N 3.26Å; I204-E206 PolarHBondContact O-N 2.9Å; E206-P209 WeakPolarHBondContact O-CD 3.37Å
207L93.8Very high90.6Very high36 Ų3647.9 Ų47.919%0.18826%0.256CS..Hα-helixtrans-74-36.7-178.6-169.763.5000112.5I141 E143 C203 I204 P209 R393 P394I141-L207 HydrophobicContact CG2-CD2 4.09Å; E143-L207 HydrophobicContact CB-CD2 4.04Å; E143-L207 HydrophobicContact CG-CD1 4.41Å; E143-L207 HydrophobicContact CG-CD2 3.74Å; C203-L207 VanDerWaalsContact O-CB 3.27Å; C203-L207 WeakPolarHBondContact O-CB 3.39Å; C203-L207 PolarHBondContact O-N 2.82Å; I204-L207 PolarHBondContact O-N 3.49Å; L207-P209 VanDerWaalsContact C-CD 3.47Å; L207-R393 HydrophobicContact CD1-CB 4.48Å; L207-R393 HydrophobicContact CD1-CG 3.92Å; L207-P394 HydrophobicContact CG-CG 4.47Å; L207-P394 WeakPolarHBondContact O-CG 3.48Å
208F96.4Very high91.8Very high3 Ų344.1 Ų44.11%0.01324%0.241CC..SBendtrans-127.364.6-177.2-62.6-87.7000111.6I141 I204 Y214 F243 F294 V335 I391 P394I141-F208 HydrophobicContact CG2-CE2 4.26Å; I204-F208 HydrophobicContact CG2-CB 4.49Å; I204-F208 HydrophobicContact CG2-CD2 4.18Å; I204-F208 WeakPolarHBondContact O-CA 3.49Å; I204-F208 WeakPolarHBondContact O-CB 3.29Å; I204-F208 PolarHBondContact O-N 3.48Å; F208-Y214 WeakPolarHBondContact CA-OH 3.45Å; F208-Y214 AromaticContact CD1-CD1 3.9Å; F208-Y214 HydrophobicContact CD1-CD1 3.9Å; F208-Y214 AromaticContact CD1-CE1 3.66Å; F208-Y214 HydrophobicContact CD1-CE1 3.66Å; F208-Y214 HydrophobicContact CD1-CE2 4.49Å; F208-Y214 HydrophobicContact CD1-CG 4.41Å; F208-Y214 HydrophobicContact CE1-CD1 4.29Å; F208-Y214 HydrophobicContact CE1-CE1 4.38Å; F208-Y214 HydrophobicContact CG-CE1 4.48Å; F208-F243 HydrophobicContact CB-CD1 4.26Å; F208-F243 HydrophobicContact CD1-CE1 4.31Å; F208-F243 HydrophobicContact CD2-CD1 4.11Å; F208-F243 AromaticContact CD2-CE1 3.63Å; F208-F243 HydrophobicContact CD2-CE1 3.63Å; F208-F243 HydrophobicContact CE1-CE1 4.41Å; F208-F243 AromaticContact CE2-CE1 3.73Å; F208-F243 HydrophobicContact CE2-CE1 3.73Å; F208-F243 HydrophobicContact CG-CD1 4.09Å; F208-F243 AromaticContact CG-CE1 3.93Å; F208-F243 HydrophobicContact CG-CE1 3.93Å; F208-F243 HydrophobicContact CZ-CE1 4.15Å; F208-F294 HydrophobicContact CD1-CE2 4.12Å; F208-F294 AromaticContact CE1-CE2 3.79Å; F208-F294 HydrophobicContact CE1-CE2 3.79Å; F208-V335 HydrophobicContact CE1-CG1 4.3Å; F208-V335 HydrophobicContact CE1-CG2 4.14Å; F208-I391 HydrophobicContact CE1-CG2 4.32Å; F208-I391 HydrophobicContact CZ-CG2 3.71Å; F208-P394 HydrophobicContact CD1-CG 3.71Å; F208-P394 HydrophobicContact CE1-CG 3.32Å; F208-P394 HydrophobicContact CE2-CG 4.42Å; F208-P394 HydrophobicContact CG-CG 4.4Å; F208-P394 HydrophobicContact CZ-CG 3.72Å
209P96.6Very high92.8Very high32 Ų3237.8 Ų37.821%0.20821%0.211CC..  trans-59.8134.7175.725.8-36.2000111.6K205 E206 L207 S211 N212 Y214K205-P209 WeakPolarHBondContact O-CA 3.36Å; E206-P209 WeakPolarHBondContact O-CD 3.37Å; L207-P209 VanDerWaalsContact C-CD 3.47Å; P209-S211 PolarHBondContact O-N 2.86Å; P209-S211 VanDerWaalsContact O-N 3.07Å; P209-N212 PolarHBondContact O-N 2.81Å; P209-N212 VanDerWaalsContact O-N 3.13Å; P209-Y214 WeakPolarHBondContact CD-OH 3Å; P209-Y214 PolarHBondContact O-OH 3.02Å
210P97.1Very high93.6Very high50 Ų5032.9 Ų32.933%0.32519%0.185SC..THydrogen-bonded Turntrans-64.5-8.5177.4-25.535.8000115.5P244 I246 T291 G292P210-P244 WeakPolarHBondContact CG-O 3.47Å; P210-I246 HydrophobicContact CB-CD1 4.31Å; P210-I246 HydrophobicContact CG-CD1 4.37Å; P210-T291 CarbonylContact O-C 3.57Å; P210-T291 VanDerWaalsContact O-CB 3.24Å; P210-T291 WeakPolarHBondContact O-CB 3.3Å; P210-T291 PolarHBondContact O-OG1 3.32Å; P210-G292 VanDerWaalsContact O-CA 3.32Å; P210-G292 WeakPolarHBondContact O-CA 3.42Å; P210-G292 PolarHBondContact O-N 3.19Å
211S96.6Very high93.8Very high76 Ų7633.2 Ų33.253%0.53119%0.186SC..THydrogen-bonded Turntrans-72-19.5173.258.40000113.1P209 T291P209-S211 PolarHBondContact O-N 2.86Å; P209-S211 VanDerWaalsContact O-N 3.07Å; S211-T291 WeakPolarHBondContact O-CB 3.47Å; S211-T291 WeakPolarHBondContact O-CG2 3.49Å
212N97.9Very high94.3Very high50 Ų5031.7 Ų31.727%0.26718%0.178SC..SBendtrans-105.4153.3-175.6-61.8-12.9000110.9P209 Y214 G292 H333P209-N212 PolarHBondContact O-N 2.81Å; P209-N212 VanDerWaalsContact O-N 3.13Å; N212-Y214 HydrophobicContact CB-CE1 4.5Å; N212-Y214 HydrophobicContact CB-CE2 4.27Å; N212-Y214 WeakPolarHBondContact O-CE2 3.36Å; N212-G292 VanDerWaalsContact O-CA 3.25Å; N212-G292 WeakPolarHBondContact O-CA 3.43Å; N212-G292 PolarHBondContact O-N 3.34Å; N212-G292 VanDerWaalsContact O-N 3.12Å; N212-H333 PolarHBondContact ND2-NE2 2.94Å; N212-H333 VanDerWaalsContact ND2-NE2 3.12Å
213N98.5Very high94.7Very high9 Ų929.6 Ų29.65%0.04816%0.159CC..  trans-101.4145.9169.5-71.2-26.7000109.6L283 T291 G292 N293 S332 H333N213-L283 HydrophobicContact CB-CD2 4.24Å; N213-L283 PolarHBondContact ND2-O 3.13Å; N213-T291 WeakPolarHBondContact OD1-CA 3.45Å; N213-G292 PolarHBondContact OD1-N 2.83Å; N213-N293 PolarHBondContact OD1-N 3.16Å; N213-S332 CarbonylContact O-C 3.51Å; N213-S332 VanDerWaalsContact O-CA 3.26Å; N213-S332 WeakPolarHBondContact O-CA 3.1Å; N213-S332 WeakPolarHBondContact O-CB 3.49Å; N213-H333 PolarHBondContact O-N 3.38Å
214Y98.7Very high94.9Very high0 Ų028.8 Ų28.80%015%0.152CC..EExtended strand (participates in β ladder)trans-121.9128.2-174.9-53.7-89.5000109.9F208 P209 N212 I246 N293 F294 V295 H333 V335 P394F208-Y214 WeakPolarHBondContact CA-OH 3.45Å; F208-Y214 AromaticContact CD1-CD1 3.9Å; F208-Y214 HydrophobicContact CD1-CD1 3.9Å; F208-Y214 AromaticContact CD1-CE1 3.66Å; F208-Y214 HydrophobicContact CD1-CE1 3.66Å; F208-Y214 HydrophobicContact CD1-CE2 4.49Å; F208-Y214 HydrophobicContact CD1-CG 4.41Å; F208-Y214 HydrophobicContact CE1-CD1 4.29Å; F208-Y214 HydrophobicContact CE1-CE1 4.38Å; F208-Y214 HydrophobicContact CG-CE1 4.48Å; P209-Y214 WeakPolarHBondContact CD-OH 3Å; P209-Y214 PolarHBondContact O-OH 3.02Å; N212-Y214 HydrophobicContact CB-CE1 4.5Å; N212-Y214 HydrophobicContact CB-CE2 4.27Å; N212-Y214 WeakPolarHBondContact O-CE2 3.36Å; Y214-I246 HydrophobicContact CD2-CD1 4.35Å; Y214-I246 HydrophobicContact CE2-CD1 3.72Å; Y214-N293 PolarHBondContact N-O 2.73Å; Y214-F294 HydrophobicContact CD2-CD2 4.03Å; Y214-F294 AromaticContact CG-CD2 3.89Å; Y214-F294 HydrophobicContact CG-CD2 3.89Å; Y214-F294 HydrophobicContact CG-CE2 4.44Å; Y214-V295 PolarHBondContact O-N 3.22Å; Y214-H333 CarbonylContact C-O 3.55Å; Y214-H333 WeakPolarHBondContact CA-O 3.21Å; Y214-H333 HydrophobicContact CD1-CB 4.02Å; Y214-H333 HydrophobicContact CE1-CB 4.29Å; Y214-V335 HydrophobicContact CD1-CG2 3.84Å; Y214-V335 HydrophobicContact CG-CG2 4.34Å; Y214-P394 HydrophobicContact CD1-CB 4.28Å; Y214-P394 HydrophobicContact CD1-CG 4.2Å; Y214-P394 HydrophobicContact CE1-CB 4.16Å; Y214-P394 HydrophobicContact CE1-CG 3.96Å
215L98.6Very high95.2Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-106.8108.6171.817955000108.6L279 L283 V295 V297 F323 L326 A327 H333 L334 V335L215-L279 HydrophobicContact CD1-CD2 4.06Å; L215-L283 HydrophobicContact CB-CD1 4.17Å; L215-L283 HydrophobicContact CB-CD2 4.21Å; L215-L283 HydrophobicContact CD1-CD1 4.08Å; L215-L283 HydrophobicContact CD2-CD1 4Å; L215-L283 HydrophobicContact CG-CD1 4.29Å; L215-V295 HydrophobicContact CD1-CB 4.44Å; L215-V295 HydrophobicContact CD1-CG1 4.48Å; L215-V297 HydrophobicContact CD1-CG2 3.75Å; L215-F323 HydrophobicContact CD1-CD2 4.07Å; L215-F323 HydrophobicContact CD1-CE2 3.48Å; L215-F323 VanDerWaalsContact CD1-CE2 3.48Å; L215-F323 HydrophobicContact CD1-CZ 4.21Å; L215-F323 HydrophobicContact CD2-CD2 3.87Å; L215-F323 HydrophobicContact CD2-CE2 3.82Å; L215-F323 HydrophobicContact CD2-CG 4.36Å; L215-F323 HydrophobicContact CD2-CZ 4.24Å; L215-F323 WeakPolarHBondContact CD2-O 3.35Å; L215-F323 HydrophobicContact CG-CD2 3.97Å; L215-F323 HydrophobicContact CG-CE2 3.38Å; L215-F323 HydrophobicContact CG-CZ 3.68Å; L215-L326 HydrophobicContact CD2-CB 4.34Å; L215-L326 HydrophobicContact CD2-CD2 4.3Å; L215-L326 HydrophobicContact CD2-CG 4.36Å; L215-A327 HydrophobicContact CD2-CB 4.17Å; L215-H333 PolarHBondContact N-O 3.37Å; L215-L334 HydrophobicContact CB-CD2 4.15Å; L215-L334 HydrophobicContact CD2-CD2 4.28Å; L215-L334 HydrophobicContact CG-CD2 4.17Å; L215-L334 WeakPolarHBondContact O-CA 3.15Å; L215-V335 PolarHBondContact O-N 2.84Å
216V98.6Very high95.5Very high0 Ų023.2 Ų23.20%013%0.128CC..EExtended strand (participates in β ladder)trans-106.8120.9-163.8-176.40000108.4F294 V295 V296 V297 V335 C337V216-F294 HydrophobicContact CB-CE1 4.12Å; V216-F294 HydrophobicContact CB-CZ 4.25Å; V216-F294 HydrophobicContact CG1-CE1 3.96Å; V216-F294 HydrophobicContact CG1-CZ 3.96Å; V216-F294 HydrophobicContact CG2-CD1 3.63Å; V216-F294 HydrophobicContact CG2-CD2 3.79Å; V216-F294 HydrophobicContact CG2-CE1 3.37Å; V216-F294 HydrophobicContact CG2-CE2 3.54Å; V216-F294 HydrophobicContact CG2-CG 3.82Å; V216-F294 HydrophobicContact CG2-CZ 3.32Å; V216-V295 PolarHBondContact N-O 3.31Å; V216-V296 HydrophobicContact CB-CB 4.46Å; V216-V296 HydrophobicContact CB-CG2 4.07Å; V216-V296 HydrophobicContact CG1-CG1 4.47Å; V216-V296 HydrophobicContact CG1-CG2 4.26Å; V216-V296 HydrophobicContact CG2-CG2 4.39Å; V216-V297 PolarHBondContact O-N 2.95Å; V216-V335 CarbonylContact C-O 3.56Å; V216-V335 WeakPolarHBondContact CA-O 3.3Å; V216-V335 HydrophobicContact CB-CB 4.23Å; V216-V335 HydrophobicContact CG1-CB 4.12Å; V216-V335 HydrophobicContact CG1-CG1 4.27Å; V216-V335 HydrophobicContact CG2-CB 3.88Å; V216-V335 HydrophobicContact CG2-CG2 4.17Å; V216-C337 HydrophobicContact CG1-CB 3.89Å
217G97.9Very high95.8Very high0 Ų015.4 Ų15.40%09%0.091CC..EExtended strand (participates in β ladder)trans-94.1113.6173.700000109.6H219 V335 C337 Y415G217-H219 PolarHBondContact O-CD2 3.12Å; G217-V335 PolarHBondContact N-O 2.94Å; G217-C337 WeakPolarHBondContact O-CB 3.46Å; G217-C337 PolarHBondContact O-N 3.13Å; G217-Y415 VanDerWaalsContact CA-OH 3.27Å; G217-Y415 WeakPolarHBondContact CA-OH 3.25Å; G217-Y415 PolarHBondContact O-OH 3.25Å
218Y98Very high96Very high0 Ų013.7 Ų13.70%08%0.082CC..EExtended strand (participates in β ladder)trans-94.7128179.4-175.7-81.5000111P220 G227 A228 F232 V296 V297 L298 L299 S339 E342 T389Y218-P220 WeakPolarHBondContact CE1-O 3.5Å; Y218-G227 WeakPolarHBondContact OH-CA 3.12Å; Y218-A228 HydrophobicContact CD1-CB 4.23Å; Y218-A228 HydrophobicContact CD2-CB 4.03Å; Y218-A228 HydrophobicContact CE1-CB 3.89Å; Y218-A228 HydrophobicContact CE2-CB 3.69Å; Y218-A228 HydrophobicContact CG-CB 4.27Å; Y218-A228 PolarHBondContact OH-N 3.22Å; Y218-F232 AromaticContact CD2-CE2 3.68Å; Y218-F232 HydrophobicContact CD2-CE2 3.68Å; Y218-F232 HydrophobicContact CD2-CZ 4.4Å; Y218-F232 AromaticContact CE2-CE2 3.8Å; Y218-F232 HydrophobicContact CE2-CE2 3.8Å; Y218-V296 HydrophobicContact CD2-CG1 4.32Å; Y218-V296 HydrophobicContact CG-CG1 4.36Å; Y218-V297 PolarHBondContact N-O 3.21Å; Y218-L298 HydrophobicContact CD1-CD1 4.15Å; Y218-L298 HydrophobicContact CD1-CG 3.78Å; Y218-L298 HydrophobicContact CE1-CG 4.46Å; Y218-L298 HydrophobicContact CG-CD1 4.25Å; Y218-L298 HydrophobicContact CG-CG 4.33Å; Y218-L299 PolarHBondContact O-N 3.18Å; Y218-S339 WeakPolarHBondContact OH-CB 3.25Å; Y218-S339 PolarHBondContact OH-OG 3.4Å; Y218-E342 PolarHBondContact OH-OE2 2.87Å; Y218-E342 VanDerWaalsContact OH-OE2 3.08Å; Y218-T389 HydrophobicContact CD2-CG2 4.28Å; Y218-T389 HydrophobicContact CE2-CG2 3.68Å
219H97.4Very high96.1Very high0 Ų014.4 Ų14.40%09%0.085CC..EExtended strand (participates in β ladder)trans-137.9139.7-175.2-56.9-93.8000112.3G217 F315 C337 V338 S339 Y415G217-H219 PolarHBondContact O-CD2 3.12Å; H219-F315 HydrophobicContact CB-CD1 3.7Å; H219-F315 HydrophobicContact CB-CD2 4.17Å; H219-F315 HydrophobicContact CB-CE1 3.62Å; H219-F315 HydrophobicContact CB-CE2 4.08Å; H219-F315 HydrophobicContact CB-CG 4.01Å; H219-F315 HydrophobicContact CB-CZ 3.82Å; H219-C337 PolarHBondContact N-O 2.7Å; H219-V338 CarbonylContact O-C 3.57Å; H219-V338 WeakPolarHBondContact O-CA 3.37Å; H219-S339 PolarHBondContact O-N 3.42Å; H219-Y415 PolarHBondContact CD2-OH 2.89Å; H219-Y415 AromaticContact NE2-CE1 3.89Å; H219-Y415 AromaticContact NE2-CZ 3.84Å; H219-Y415 PolarHBondContact NE2-OH 2.8Å
220P95.7Very high96.1Very high4 Ų412.9 Ų12.93%0.0268%0.076CC..  cis-78.2163.4-20.634.8-29000110.5Y218 G222 E304 Y313 F315 S339 P343Y218-P220 WeakPolarHBondContact CE1-O 3.5Å; P220-G222 PolarHBondContact O-N 3.48Å; P220-E304 VanDerWaalsContact C-OE1 3.24Å; P220-E304 WeakPolarHBondContact CA-OE1 3.22Å; P220-E304 HydrophobicContact CB-CG 4.09Å; P220-E304 WeakPolarHBondContact CB-OE1 3.35Å; P220-Y313 HydrophobicContact CG-CD1 4.02Å; P220-Y313 HydrophobicContact CG-CE1 4.48Å; P220-F315 HydrophobicContact CB-CD1 4.37Å; P220-F315 HydrophobicContact CB-CE1 4.23Å; P220-F315 HydrophobicContact CG-CE1 4.39Å; P220-S339 WeakPolarHBondContact CD-O 3.19Å; P220-P343 HydrophobicContact CG-CG 4.35Å
221H88.9Confident96.2Very high35 Ų3510.5 Ų10.516%0.1626%0.06CC..  trans-58.7-34169.1-176.3-62.7000111.2G225 L298 E304H221-G225 WeakPolarHBondContact O-CA 3.37Å; H221-G225 PolarHBondContact O-N 2.85Å; H221-L298 HydrophobicContact CB-CB 4.16Å; H221-L298 HydrophobicContact CB-CD2 4.09Å; H221-L298 HydrophobicContact CB-CG 4.41Å; H221-L298 VanDerWaalsContact CD2-CB 3.43Å; H221-L298 WeakPolarHBondContact CD2-CB 3.45Å; H221-L298 WeakPolarHBondContact CD2-CD2 3.4Å; H221-E304 PolarHBondContact N-OE1 3.49Å
222G90.7Very high96.3Very high0 Ų06.9 Ų6.90%04%0.035CC..THydrogen-bonded Turntrans59.9-157-164.400000111.2P220 A305P220-G222 PolarHBondContact O-N 3.48Å; G222-A305 WeakPolarHBondContact O-CA 3.36Å; G222-A305 WeakPolarHBondContact O-CB 3.15Å
223I91.6Very high96.3Very high12 Ų124.5 Ų4.56%0.0622%0.022CC..THydrogen-bonded Turntrans-74.2-44.8176.9-58.1-60.1000111.7A305 F346 P373 F375I223-A305 WeakPolarHBondContact CD1-O 3.4Å; I223-F346 HydrophobicContact CB-CD2 3.91Å; I223-F346 HydrophobicContact CB-CE2 4.33Å; I223-F346 HydrophobicContact CB-CG 4.48Å; I223-F346 HydrophobicContact CG1-CB 3.93Å; I223-F346 HydrophobicContact CG1-CD2 3.88Å; I223-F346 HydrophobicContact CG1-CG 4.12Å; I223-P373 HydrophobicContact CD1-CB 3.91Å; I223-P373 HydrophobicContact CD1-CG 4.1Å; I223-P373 HydrophobicContact CG2-CG 4.09Å; I223-F375 HydrophobicContact CD1-CB 4.37Å; I223-F375 HydrophobicContact CG1-CB 4.44Å; I223-F375 HydrophobicContact CG2-CD1 3.77Å; I223-F375 HydrophobicContact CG2-CE1 4.08Å; I223-F375 HydrophobicContact CG2-CG 4.1Å
224F90.9Very high96.3Very high15 Ų154.1 Ų4.17%0.0662%0.02CC..THydrogen-bonded Turntrans-122.1-13.5-172-66.5-58.2000115.2I32 F35 L36 I226 F346 F375I32-F224 HydrophobicContact CD1-CD2 3.58Å; I32-F224 HydrophobicContact CD1-CE2 3.64Å; I32-F224 HydrophobicContact CD1-CG 4.4Å; I32-F224 HydrophobicContact CD1-CZ 4.47Å; I32-F224 HydrophobicContact CG2-CE2 4.33Å; I32-F224 HydrophobicContact CG2-CZ 4.43Å; F35-F224 AromaticContact CD1-CD1 3.27Å; F35-F224 HydrophobicContact CD1-CD1 3.27Å; F35-F224 AromaticContact CD1-CE1 3.31Å; F35-F224 HydrophobicContact CD1-CE1 3.31Å; F35-F224 HydrophobicContact CD1-CG 4.44Å; F35-F224 HydrophobicContact CD2-CD1 4.32Å; F35-F224 AromaticContact CE1-CD1 3.33Å; F35-F224 HydrophobicContact CE1-CD1 3.33Å; F35-F224 AromaticContact CE1-CE1 3.62Å; F35-F224 HydrophobicContact CE1-CE1 3.62Å; F35-F224 HydrophobicContact CE2-CD1 4.35Å; F35-F224 AromaticContact CG-CD1 3.81Å; F35-F224 HydrophobicContact CG-CD1 3.81Å; F35-F224 HydrophobicContact CG-CE1 4.11Å; F35-F224 AromaticContact CZ-CD1 3.89Å; F35-F224 HydrophobicContact CZ-CD1 3.89Å; L36-F224 HydrophobicContact CD1-CZ 4.37Å; L36-F224 HydrophobicContact CD2-CE1 3.83Å; L36-F224 HydrophobicContact CD2-CZ 3.79Å; L36-F224 HydrophobicContact CG-CE1 4.26Å; L36-F224 HydrophobicContact CG-CZ 4.03Å; F224-I226 HydrophobicContact CB-CD1 4.44Å; F224-I226 HydrophobicContact CB-CG1 3.81Å; F224-F346 HydrophobicContact CD2-CD2 4.49Å; F224-F346 HydrophobicContact CD2-CE1 4.4Å; F224-F346 AromaticContact CD2-CE2 3.53Å; F224-F346 HydrophobicContact CD2-CE2 3.53Å; F224-F346 AromaticContact CD2-CZ 3.44Å; F224-F346 HydrophobicContact CD2-CZ 3.44Å; F224-F346 VanDerWaalsContact CD2-CZ 3.44Å; F224-F346 AromaticContact CE2-CE1 3.94Å; F224-F346 HydrophobicContact CE2-CE1 3.94Å; F224-F346 AromaticContact CE2-CE2 3.9Å; F224-F346 HydrophobicContact CE2-CE2 3.9Å; F224-F346 AromaticContact CE2-CZ 3.41Å; F224-F346 HydrophobicContact CE2-CZ 3.41Å; F224-F346 VanDerWaalsContact CE2-CZ 3.41Å; F224-F375 HydrophobicContact CE2-CE2 4.05Å; F224-F375 AromaticContact CE2-CZ 3.96Å; F224-F375 HydrophobicContact CE2-CZ 3.96Å; F224-F375 AromaticContact CZ-CE1 3.94Å; F224-F375 HydrophobicContact CZ-CE1 3.94Å; F224-F375 HydrophobicContact CZ-CE2 4.05Å; F224-F375 AromaticContact CZ-CZ 3.48Å; F224-F375 HydrophobicContact CZ-CZ 3.48Å; F224-F375 VanDerWaalsContact CZ-CZ 3.48Å
225G93.8Very high96.2Very high2 Ų25.1 Ų5.12%0.0213%0.025CC..  trans62.143.5-172.500000112.9H221 G227 A228 F229 E342H221-G225 WeakPolarHBondContact O-CA 3.37Å; H221-G225 PolarHBondContact O-N 2.85Å; G225-G227 VanDerWaalsContact C-N 3.32Å; G225-G227 PolarHBondContact O-N 2.75Å; G225-A228 PolarHBondContact O-N 2.89Å; G225-F229 PolarHBondContact O-N 2.74Å; G225-E342 VanDerWaalsContact C-OE1 3.23Å; G225-E342 WeakPolarHBondContact CA-OE1 3.39Å
226I96.5Very high96.2Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-61.4-42.5-179.7-49.7-165.4000110.2F31 I32 I131 F135 I137 F224 A228 F229 I230 E342 M345 F346F31-I226 HydrophobicContact CD1-CD1 4.46Å; F31-I226 HydrophobicContact CE1-CB 4.48Å; F31-I226 HydrophobicContact CE1-CD1 4.14Å; F31-I226 HydrophobicContact CE1-CG1 3.94Å; F31-I226 HydrophobicContact CE1-CG2 4.23Å; I32-I226 HydrophobicContact CD1-CD1 3.94Å; I131-I226 HydrophobicContact CG2-CG2 4.08Å; F135-I226 HydrophobicContact CD2-CG2 4.29Å; F135-I226 HydrophobicContact CE2-CD1 4.18Å; F135-I226 HydrophobicContact CE2-CG2 4.31Å; F135-I226 HydrophobicContact CZ-CD1 4.28Å; I137-I226 HydrophobicContact CD1-CG2 4.21Å; F224-I226 HydrophobicContact CB-CD1 4.44Å; F224-I226 HydrophobicContact CB-CG1 3.81Å; I226-A228 VanDerWaalsContact C-N 3.32Å; I226-A228 PolarHBondContact O-N 3.3Å; I226-F229 PolarHBondContact O-N 3.07Å; I226-I230 HydrophobicContact CG2-CG1 4.19Å; I226-I230 WeakPolarHBondContact O-CG1 3.48Å; I226-I230 PolarHBondContact O-N 3.36Å; I226-E342 PolarHBondContact N-OE1 3.36Å; I226-M345 HydrophobicContact CB-CE 4.03Å; I226-M345 HydrophobicContact CB-SD 4.09Å; I226-M345 HydrophobicContact CD1-SD 3.64Å; I226-M345 HydrophobicContact CG1-CE 4.5Å; I226-M345 HydrophobicContact CG1-SD 3.9Å; I226-F346 HydrophobicContact CD1-CE2 4.4Å
227G97.6Very high96Very high0 Ų07.1 Ų7.10%04%0.038CC..Hα-helixtrans-57.6-45.3175.600000112Y218 G225 N231 E342Y218-G227 WeakPolarHBondContact OH-CA 3.12Å; G225-G227 VanDerWaalsContact C-N 3.32Å; G225-G227 PolarHBondContact O-N 2.75Å; G227-N231 WeakPolarHBondContact O-CB 3.4Å; G227-N231 PolarHBondContact O-N 3.2Å; G227-N231 PolarHBondContact O-ND2 3.34Å; G227-N231 VanDerWaalsContact O-ND2 3.16Å; G227-E342 VanDerWaalsContact CA-OE2 3.3Å; G227-E342 WeakPolarHBondContact CA-OE2 3.12Å; G227-E342 PolarHBondContact N-OE1 3.06Å; G227-E342 PolarHBondContact N-OE2 3.02Å
228A97.9Very high95.9Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-63.8-46.6177.200000111.7Y218 G225 I226 I230 F232 L250 L298Y218-A228 HydrophobicContact CD1-CB 4.23Å; Y218-A228 HydrophobicContact CD2-CB 4.03Å; Y218-A228 HydrophobicContact CE1-CB 3.89Å; Y218-A228 HydrophobicContact CE2-CB 3.69Å; Y218-A228 HydrophobicContact CG-CB 4.27Å; Y218-A228 PolarHBondContact OH-N 3.22Å; G225-A228 PolarHBondContact O-N 2.89Å; I226-A228 VanDerWaalsContact C-N 3.32Å; I226-A228 PolarHBondContact O-N 3.3Å; A228-I230 PolarHBondContact O-N 3.13Å; A228-F232 HydrophobicContact CB-CD2 4.11Å; A228-F232 HydrophobicContact CB-CE2 4.37Å; A228-F232 WeakPolarHBondContact O-CB 3.24Å; A228-F232 WeakPolarHBondContact O-CD2 3.38Å; A228-F232 PolarHBondContact O-N 3.12Å; A228-L250 HydrophobicContact CB-CD1 4.01Å; A228-L250 HydrophobicContact CB-CD2 4.21Å; A228-L298 HydrophobicContact CB-CD1 3.88Å; A228-L298 HydrophobicContact CB-CD2 4.47Å
229F97.7Very high95.9Very high18 Ų1812 Ų128%0.0796%0.061CC..Iπ-helixtrans-57.6-52.2179-171.2-78.5000110.9F31 W128 G225 I226 L233 T234 F269 L271F31-F229 HydrophobicContact CD2-CE1 4.47Å; F31-F229 HydrophobicContact CE2-CB 4.49Å; F31-F229 AromaticContact CE2-CD1 3.61Å; F31-F229 HydrophobicContact CE2-CD1 3.61Å; F31-F229 HydrophobicContact CE2-CD2 4.01Å; F31-F229 AromaticContact CE2-CE1 3.76Å; F31-F229 HydrophobicContact CE2-CE1 3.76Å; F31-F229 HydrophobicContact CE2-CE2 4.14Å; F31-F229 AromaticContact CE2-CG 3.76Å; F31-F229 HydrophobicContact CE2-CG 3.76Å; F31-F229 HydrophobicContact CE2-CZ 4.03Å; F31-F229 HydrophobicContact CZ-CB 4.2Å; F31-F229 HydrophobicContact CZ-CD1 4.17Å; F31-F229 HydrophobicContact CZ-CD2 4.23Å; F31-F229 AromaticContact CZ-CG 3.93Å; F31-F229 HydrophobicContact CZ-CG 3.93Å; W128-F229 HydrophobicContact CE3-CE1 4.13Å; W128-F229 HydrophobicContact CH2-CE1 4.08Å; W128-F229 HydrophobicContact CH2-CZ 4.4Å; W128-F229 AromaticContact CZ3-CE1 3.82Å; W128-F229 HydrophobicContact CZ3-CE1 3.82Å; G225-F229 PolarHBondContact O-N 2.74Å; I226-F229 PolarHBondContact O-N 3.07Å; F229-L233 HydrophobicContact CD2-CD1 3.53Å; F229-L233 HydrophobicContact CE2-CD1 3.67Å; F229-L233 HydrophobicContact CG-CD1 4.09Å; F229-L233 HydrophobicContact CZ-CD1 4.35Å; F229-L233 WeakPolarHBondContact O-CA 3.46Å; F229-L233 VanDerWaalsContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CB 3.36Å; F229-L233 PolarHBondContact O-N 3.45Å; F229-T234 HydrophobicContact CD1-CG2 4.11Å; F229-T234 HydrophobicContact CE1-CG2 3.88Å; F229-F269 HydrophobicContact CE1-CE1 4.27Å; F229-F269 HydrophobicContact CZ-CD1 4.27Å; F229-F269 AromaticContact CZ-CE1 3.9Å; F229-F269 HydrophobicContact CZ-CE1 3.9Å; F229-F269 HydrophobicContact CZ-CE2 4.21Å; F229-F269 AromaticContact CZ-CZ 3.88Å; F229-F269 HydrophobicContact CZ-CZ 3.88Å; F229-L271 HydrophobicContact CE2-CD1 4.48Å
230I98.2Very high95.8Very high0 Ų014.7 Ų14.70%08%0.079CC..Iπ-helixtrans-69.4-40.4-175.1-63.3-65.4000111.6W128 I131 A132 I137 I226 A228 T234 A236W128-I230 HydrophobicContact CB-CD1 4.36Å; W128-I230 HydrophobicContact CE3-CD1 3.94Å; I131-I230 HydrophobicContact CB-CD1 3.96Å; I131-I230 HydrophobicContact CD1-CD1 4.27Å; I131-I230 HydrophobicContact CG2-CD1 3.75Å; I131-I230 HydrophobicContact CG2-CG1 3.84Å; A132-I230 HydrophobicContact CB-CG2 3.94Å; I137-I230 HydrophobicContact CB-CG2 4.45Å; I137-I230 HydrophobicContact CD1-CB 3.7Å; I137-I230 HydrophobicContact CD1-CG1 3.75Å; I137-I230 HydrophobicContact CD1-CG2 3.93Å; I137-I230 HydrophobicContact CG2-CG2 4.42Å; I226-I230 HydrophobicContact CG2-CG1 4.19Å; I226-I230 WeakPolarHBondContact O-CG1 3.48Å; I226-I230 PolarHBondContact O-N 3.36Å; A228-I230 PolarHBondContact O-N 3.13Å; I230-T234 HydrophobicContact CD1-CG2 4.33Å; I230-T234 PolarHBondContact O-OG1 2.81Å; I230-A236 HydrophobicContact CG2-CB 3.88Å
231N98.3Very high95.7Very high0 Ų017.4 Ų17.40%09%0.092CC..Iπ-helixtrans-72.7-35.5-178.6-75.7-35.2000114.1I137 L139 G227 N237 T389I137-N231 WeakPolarHBondContact CG2-ND2 3.41Å; I137-N231 WeakPolarHBondContact CG2-OD1 3.43Å; L139-N231 HydrophobicContact CD1-CB 4.05Å; G227-N231 WeakPolarHBondContact O-CB 3.4Å; G227-N231 PolarHBondContact O-N 3.2Å; G227-N231 PolarHBondContact O-ND2 3.34Å; G227-N231 VanDerWaalsContact O-ND2 3.16Å; N231-N237 PolarHBondContact OD1-ND2 2.85Å; N231-T389 WeakPolarHBondContact ND2-CB 3.36Å; N231-T389 PolarHBondContact ND2-OG1 2.93Å
232F98.4Very high95.8Very high0 Ų018.6 Ų18.60%010%0.097CC..Iπ-helixtrans-109.3-26.4-170-56.3-61.8000113.8L139 Y218 A228 F239 P248 F294 V296 T389 I391L139-F232 HydrophobicContact CD1-CE1 4.19Å; L139-F232 HydrophobicContact CD1-CZ 4.21Å; Y218-F232 AromaticContact CD2-CE2 3.68Å; Y218-F232 HydrophobicContact CD2-CE2 3.68Å; Y218-F232 HydrophobicContact CD2-CZ 4.4Å; Y218-F232 AromaticContact CE2-CE2 3.8Å; Y218-F232 HydrophobicContact CE2-CE2 3.8Å; A228-F232 HydrophobicContact CB-CD2 4.11Å; A228-F232 HydrophobicContact CB-CE2 4.37Å; A228-F232 WeakPolarHBondContact O-CB 3.24Å; A228-F232 WeakPolarHBondContact O-CD2 3.38Å; A228-F232 PolarHBondContact O-N 3.12Å; F232-F239 AromaticContact CD1-CD2 3.89Å; F232-F239 HydrophobicContact CD1-CD2 3.89Å; F232-F239 AromaticContact CD1-CE2 3.67Å; F232-F239 HydrophobicContact CD1-CE2 3.67Å; F232-F239 HydrophobicContact CE1-CD2 4.32Å; F232-F239 AromaticContact CE1-CE2 3.92Å; F232-F239 HydrophobicContact CE1-CE2 3.92Å; F232-P248 HydrophobicContact CB-CB 4.14Å; F232-P248 HydrophobicContact CD1-CB 4.45Å; F232-P248 VanDerWaalsContact O-CB 3.29Å; F232-P248 WeakPolarHBondContact O-CB 3.44Å; F232-P248 WeakPolarHBondContact O-CG 3.34Å; F232-F294 HydrophobicContact CD1-CD1 4.48Å; F232-F294 HydrophobicContact CD1-CE1 4.21Å; F232-F294 HydrophobicContact CE1-CD1 4.44Å; F232-F294 AromaticContact CE1-CE1 3.74Å; F232-F294 HydrophobicContact CE1-CE1 3.74Å; F232-F294 HydrophobicContact CZ-CE1 4.48Å; F232-V296 HydrophobicContact CB-CG2 4.45Å; F232-V296 HydrophobicContact CD1-CG2 3.95Å; F232-V296 HydrophobicContact CD2-CB 4.33Å; F232-V296 HydrophobicContact CD2-CG1 3.97Å; F232-V296 HydrophobicContact CD2-CG2 3.95Å; F232-V296 HydrophobicContact CE1-CG2 4.17Å; F232-V296 HydrophobicContact CE2-CG1 3.95Å; F232-V296 HydrophobicContact CE2-CG2 4.19Å; F232-V296 HydrophobicContact CG-CG2 3.85Å; F232-V296 HydrophobicContact CZ-CG2 4.3Å; F232-T389 HydrophobicContact CE2-CG2 4.43Å; F232-T389 HydrophobicContact CZ-CG2 4.14Å; F232-I391 HydrophobicContact CE1-CD1 4.19Å
233L98.2Very high96.1Very high0 Ų018.7 Ų18.70%010%0.097CC..Iπ-helixtrans-100.5-12.9-178.7-60.8177.4000113.6R123 F229 L250 F269 N270 L271R123-L233 WeakPolarHBondContact CG-O 3.35Å; R123-L233 PolarHBondContact NE-O 2.61Å; R123-L233 VanDerWaalsContact NE-O 3.13Å; F229-L233 HydrophobicContact CD2-CD1 3.53Å; F229-L233 HydrophobicContact CE2-CD1 3.67Å; F229-L233 HydrophobicContact CG-CD1 4.09Å; F229-L233 HydrophobicContact CZ-CD1 4.35Å; F229-L233 WeakPolarHBondContact O-CA 3.46Å; F229-L233 VanDerWaalsContact O-CB 3.26Å; F229-L233 WeakPolarHBondContact O-CB 3.36Å; F229-L233 PolarHBondContact O-N 3.45Å; L233-L250 HydrophobicContact CD1-CB 3.89Å; L233-L250 HydrophobicContact CD1-CD2 3.56Å; L233-L250 HydrophobicContact CD1-CG 4.33Å; L233-L250 HydrophobicContact CD2-CB 3.56Å; L233-L250 HydrophobicContact CG-CB 3.74Å; L233-L250 HydrophobicContact CG-CD2 3.95Å; L233-F269 HydrophobicContact CB-CB 4.41Å; L233-F269 HydrophobicContact CB-CD1 4.13Å; L233-F269 HydrophobicContact CD1-CB 4.47Å; L233-F269 HydrophobicContact CD2-CB 4.27Å; L233-N270 VanDerWaalsContact CD2-C 3.49Å; L233-N270 HydrophobicContact CD2-CB 3.88Å; L233-N270 WeakPolarHBondContact CD2-O 3.34Å; L233-L271 HydrophobicContact CD1-CD1 3.87Å; L233-L271 HydrophobicContact CD1-CD2 3.64Å; L233-L271 HydrophobicContact CD1-CG 3.47Å; L233-L271 VanDerWaalsContact CD1-CG 3.47Å; L233-L271 HydrophobicContact CD2-CG 4.16Å; L233-L271 HydrophobicContact CG-CG 4.46Å
234T98.2Very high96.2Very high0 Ų020 Ų200%011%0.106CC..SBendtrans-124.1163.8-178.286.10000111R123 W128 F229 I230 A236R123-T234 WeakPolarHBondContact O-CA 3.31Å; W128-T234 HydrophobicContact CB-CG2 4Å; W128-T234 HydrophobicContact CD2-CG2 3.64Å; W128-T234 HydrophobicContact CE3-CG2 4.16Å; W128-T234 HydrophobicContact CG-CG2 3.52Å; F229-T234 HydrophobicContact CD1-CG2 4.11Å; F229-T234 HydrophobicContact CE1-CG2 3.88Å; I230-T234 HydrophobicContact CD1-CG2 4.33Å; I230-T234 PolarHBondContact O-OG1 2.81Å; T234-A236 VanDerWaalsContact C-N 3.33Å; T234-A236 WeakPolarHBondContact OG1-CB 3.38Å; T234-A236 PolarHBondContact OG1-N 2.89Å
235E97.5Very high96.5Very high22 Ų2222 Ų2210%0.10313%0.132CC..SBendtrans-96.217.2173.1-68.1-60151.200112.3R123 N124 N237 Q238 F239 S240R123-E235 IonicContact CZ-OE1 3.75Å; R123-E235 IonicContact NH1-OE1 3.4Å; R123-E235 IonicContact NH2-OE1 3.81Å; R123-E235 PolarHBondContact NH2-OE1 3.26Å; R123-E235 PolarHBondContact O-N 3.02Å; N124-E235 WeakPolarHBondContact OD1-CB 3.42Å; E235-N237 PolarHBondContact O-N 3.27Å; E235-Q238 PolarHBondContact O-N 3.32Å; E235-Q238 VanDerWaalsContact O-N 3.14Å; E235-F239 PolarHBondContact OE2-N 3.48Å; E235-S240 PolarHBondContact OE1-OG 2.98Å; E235-S240 PolarHBondContact OE2-N 2.72Å
236A97.4Very high96.7Very high18 Ų1822.3 Ų22.315%0.14913%0.132CC..THydrogen-bonded Turntrans-57.4-35.9178.200000112.6W128 A132 I230 T234W128-A236 HydrophobicContact CB-CB 3.86Å; A132-A236 HydrophobicContact CB-CB 3.98Å; I230-A236 HydrophobicContact CG2-CB 3.88Å; T234-A236 VanDerWaalsContact C-N 3.33Å; T234-A236 WeakPolarHBondContact OG1-CB 3.38Å; T234-A236 PolarHBondContact OG1-N 2.89Å
237N96.2Very high96.7Very high23 Ų2324.8 Ų24.812%0.12315%0.148CC..THydrogen-bonded Turntrans-110.620.2178.6-73.8-26.8000113.5I137 L139 N231 E235 F239 K242I137-N237 WeakPolarHBondContact CG2-ND2 3.39Å; I137-N237 PolarHBondContact O-ND2 3.04Å; I137-N237 PolarHBondContact O-OD1 3.47Å; L139-N237 HydrophobicContact CB-CB 4.49Å; N231-N237 PolarHBondContact OD1-ND2 2.85Å; E235-N237 PolarHBondContact O-N 3.27Å; N237-F239 PolarHBondContact O-N 2.67Å; N237-K242 WeakPolarHBondContact O-CE 3.41Å; N237-K242 PolarHBondContact O-NZ 2.67Å
238Q95.1Very high96.8Very high103 Ų10324.8 Ų24.848%0.48115%0.148SC..  trans53.250.9171.7-57.7161.7-68.100112.8E235 S240 E241 K242E235-Q238 PolarHBondContact O-N 3.32Å; E235-Q238 VanDerWaalsContact O-N 3.14Å; Q238-S240 VanDerWaalsContact C-N 3.26Å; Q238-S240 PolarHBondContact O-N 2.95Å; Q238-E241 HydrophobicContact CB-CB 3.99Å; Q238-E241 PolarHBondContact NE2-OE2 3.44Å; Q238-E241 PolarHBondContact O-N 2.97Å; Q238-K242 PolarHBondContact O-N 3.11Å
239F97.5Very high96.8Very high0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-56.2-45.1-179.8-176.6-79.6000110.8L139 F232 E235 N237 E241 K242 F243 I246 P248 F294L139-F239 HydrophobicContact CD2-CD2 3.67Å; L139-F239 HydrophobicContact CD2-CE2 4.26Å; F232-F239 AromaticContact CD1-CD2 3.89Å; F232-F239 HydrophobicContact CD1-CD2 3.89Å; F232-F239 AromaticContact CD1-CE2 3.67Å; F232-F239 HydrophobicContact CD1-CE2 3.67Å; F232-F239 HydrophobicContact CE1-CD2 4.32Å; F232-F239 AromaticContact CE1-CE2 3.92Å; F232-F239 HydrophobicContact CE1-CE2 3.92Å; E235-F239 PolarHBondContact OE2-N 3.48Å; N237-F239 PolarHBondContact O-N 2.67Å; F239-E241 VanDerWaalsContact C-N 3.27Å; F239-E241 PolarHBondContact O-N 2.93Å; F239-K242 PolarHBondContact O-N 3.16Å; F239-K242 VanDerWaalsContact O-N 3.16Å; F239-F243 HydrophobicContact CD1-CB 4.34Å; F239-F243 HydrophobicContact CD1-CD2 4.38Å; F239-F243 AromaticContact CD2-CD2 3.96Å; F239-F243 HydrophobicContact CD2-CD2 3.96Å; F239-F243 HydrophobicContact CD2-CE2 4.32Å; F239-F243 HydrophobicContact CE1-CB 3.77Å; F239-F243 HydrophobicContact CE1-CD2 4.1Å; F239-F243 HydrophobicContact CE1-CG 4.18Å; F239-F243 AromaticContact CE2-CD2 3.65Å; F239-F243 HydrophobicContact CE2-CD2 3.65Å; F239-F243 AromaticContact CE2-CE2 3.96Å; F239-F243 HydrophobicContact CE2-CE2 3.96Å; F239-F243 HydrophobicContact CE2-CG 4.3Å; F239-F243 HydrophobicContact CG-CD2 4.31Å; F239-F243 HydrophobicContact CZ-CB 4Å; F239-F243 AromaticContact CZ-CD2 3.72Å; F239-F243 HydrophobicContact CZ-CD2 3.72Å; F239-F243 HydrophobicContact CZ-CE2 4.38Å; F239-F243 AromaticContact CZ-CG 3.92Å; F239-F243 HydrophobicContact CZ-CG 3.92Å; F239-F243 PolarHBondContact O-N 2.75Å; F239-I246 HydrophobicContact CE1-CB 4.41Å; F239-I246 HydrophobicContact CE1-CG2 4.03Å; F239-I246 HydrophobicContact CZ-CG2 4.11Å; F239-P248 HydrophobicContact CD1-CB 3.95Å; F239-P248 HydrophobicContact CD1-CG 3.49Å; F239-P248 VanDerWaalsContact CD1-CG 3.49Å; F239-P248 HydrophobicContact CD2-CB 4.3Å; F239-P248 HydrophobicContact CD2-CG 4.48Å; F239-P248 HydrophobicContact CE1-CB 3.68Å; F239-P248 VanDerWaalsContact CE1-CD 3.48Å; F239-P248 HydrophobicContact CE1-CG 3.64Å; F239-P248 HydrophobicContact CE2-CB 4.06Å; F239-P248 HydrophobicContact CG-CB 4.27Å; F239-P248 HydrophobicContact CG-CG 3.97Å; F239-P248 HydrophobicContact CZ-CB 3.74Å; F239-P248 HydrophobicContact CZ-CG 4.22Å; F239-F294 HydrophobicContact CE2-CD1 4.26Å; F239-F294 HydrophobicContact CE2-CE1 4.33Å; F239-F294 HydrophobicContact CZ-CB 4.47Å; F239-F294 HydrophobicContact CZ-CD1 4Å; F239-F294 HydrophobicContact CZ-CE1 4.44Å; F239-F294 HydrophobicContact CZ-CG 4.21Å
240S96Very high96.8Very high57 Ų5725.3 Ų25.340%0.39915%0.15SC..Hα-helixtrans-65.7-28.6-177.3-62.80000113.1E235 Q238E235-S240 PolarHBondContact OE1-OG 2.98Å; E235-S240 PolarHBondContact OE2-N 2.72Å; Q238-S240 VanDerWaalsContact C-N 3.26Å; Q238-S240 PolarHBondContact O-N 2.95Å
241E92.4Very high96.8Very high61 Ų6126 Ų2629%0.28515%0.154SC..Hα-helixtrans-74.7-41.3173.8-173.2176.7172.700110.9R189 Y197 Q238 F239R189-E241 IonicContact CZ-OE1 3.86Å; R189-E241 IonicContact NH1-OE1 3.34Å; R189-E241 PolarHBondContact NH1-OE1 3.14Å; R189-E241 IonicContact NH2-OE1 3.47Å; R189-E241 PolarHBondContact NH2-OE1 3.06Å; Y197-E241 HydrophobicContact CE2-CG 4.41Å; Y197-E241 WeakPolarHBondContact OH-CG 2.98Å; Y197-E241 PolarHBondContact OH-OE1 3.09Å; Q238-E241 HydrophobicContact CB-CB 3.99Å; Q238-E241 PolarHBondContact NE2-OE2 3.44Å; Q238-E241 PolarHBondContact O-N 2.97Å; F239-E241 VanDerWaalsContact C-N 3.27Å; F239-E241 PolarHBondContact O-N 2.93Å
242K92.7Very high96.6Very high60 Ų6027.4 Ų27.426%0.26116%0.163SC..Hα-helixtrans-69.5-40.8179.5-70.6176.4179.3176.40112.2L139 I204 N237 Q238 F239 P244L139-K242 HydrophobicContact CD2-CD 4.38Å; L139-K242 PolarHBondContact O-NZ 3.15Å; I204-K242 WeakPolarHBondContact CD1-O 3.47Å; I204-K242 VanDerWaalsContact CG2-O 3.31Å; I204-K242 WeakPolarHBondContact CG2-O 3.44Å; N237-K242 WeakPolarHBondContact O-CE 3.41Å; N237-K242 PolarHBondContact O-NZ 2.67Å; Q238-K242 PolarHBondContact O-N 3.11Å; F239-K242 PolarHBondContact O-N 3.16Å; F239-K242 VanDerWaalsContact O-N 3.16Å; K242-P244 VanDerWaalsContact O-CD 3.29Å; K242-P244 WeakPolarHBondContact O-CD 3.37Å
243F95.9Very high96.3Very high1 Ų130.4 Ų30.40%0.00418%0.178CC..SBendtrans-119.474.8-176.4-62.6-90.7000110.7L139 I141 I204 F208 F239 G245 I246 I391L139-F243 HydrophobicContact CD2-CE2 3.96Å; I141-F243 HydrophobicContact CD1-CE1 3.84Å; I141-F243 HydrophobicContact CD1-CE2 3.96Å; I141-F243 HydrophobicContact CD1-CZ 3.39Å; I141-F243 HydrophobicContact CG1-CE1 4.44Å; I141-F243 HydrophobicContact CG1-CE2 4.34Å; I141-F243 HydrophobicContact CG1-CZ 3.7Å; I204-F243 HydrophobicContact CG2-CD1 3.81Å; I204-F243 HydrophobicContact CG2-CE1 4.14Å; I204-F243 HydrophobicContact CG2-CG 4.47Å; F208-F243 HydrophobicContact CB-CD1 4.26Å; F208-F243 HydrophobicContact CD1-CE1 4.31Å; F208-F243 HydrophobicContact CD2-CD1 4.11Å; F208-F243 AromaticContact CD2-CE1 3.63Å; F208-F243 HydrophobicContact CD2-CE1 3.63Å; F208-F243 HydrophobicContact CE1-CE1 4.41Å; F208-F243 AromaticContact CE2-CE1 3.73Å; F208-F243 HydrophobicContact CE2-CE1 3.73Å; F208-F243 HydrophobicContact CG-CD1 4.09Å; F208-F243 AromaticContact CG-CE1 3.93Å; F208-F243 HydrophobicContact CG-CE1 3.93Å; F208-F243 HydrophobicContact CZ-CE1 4.15Å; F239-F243 HydrophobicContact CD1-CB 4.34Å; F239-F243 HydrophobicContact CD1-CD2 4.38Å; F239-F243 AromaticContact CD2-CD2 3.96Å; F239-F243 HydrophobicContact CD2-CD2 3.96Å; F239-F243 HydrophobicContact CD2-CE2 4.32Å; F239-F243 HydrophobicContact CE1-CB 3.77Å; F239-F243 HydrophobicContact CE1-CD2 4.1Å; F239-F243 HydrophobicContact CE1-CG 4.18Å; F239-F243 AromaticContact CE2-CD2 3.65Å; F239-F243 HydrophobicContact CE2-CD2 3.65Å; F239-F243 AromaticContact CE2-CE2 3.96Å; F239-F243 HydrophobicContact CE2-CE2 3.96Å; F239-F243 HydrophobicContact CE2-CG 4.3Å; F239-F243 HydrophobicContact CG-CD2 4.31Å; F239-F243 HydrophobicContact CZ-CB 4Å; F239-F243 AromaticContact CZ-CD2 3.72Å; F239-F243 HydrophobicContact CZ-CD2 3.72Å; F239-F243 HydrophobicContact CZ-CE2 4.38Å; F239-F243 AromaticContact CZ-CG 3.92Å; F239-F243 HydrophobicContact CZ-CG 3.92Å; F239-F243 PolarHBondContact O-N 2.75Å; F243-G245 PolarHBondContact O-N 3.26Å; F243-I246 HydrophobicContact CB-CB 3.8Å; F243-I246 HydrophobicContact CB-CG1 4.08Å; F243-I246 HydrophobicContact CB-CG2 4.33Å; F243-I246 WeakPolarHBondContact O-CB 3.24Å; F243-I246 PolarHBondContact O-N 3.38Å; F243-I246 VanDerWaalsContact O-N 3.12Å; F243-I391 HydrophobicContact CE2-CD1 3.86Å; F243-I391 HydrophobicContact CZ-CD1 3.51Å
244P94.5Very high96.1Very high39 Ų3934.2 Ų34.225%0.25320%0.196SC..THydrogen-bonded Turntrans-62.6128.4-175.928.6-38.3000111.4L201 K205 P210 K242 I246L201-P244 HydrophobicContact CD1-CG 3.71Å; K205-P244 HydrophobicContact CD-CG 4.47Å; K205-P244 HydrophobicContact CG-CG 3.97Å; P210-P244 WeakPolarHBondContact CG-O 3.47Å; K242-P244 VanDerWaalsContact O-CD 3.29Å; K242-P244 WeakPolarHBondContact O-CD 3.37Å; P244-I246 VanDerWaalsContact C-N 3.26Å; P244-I246 PolarHBondContact O-N 3.12Å
245G96Very high95.8Very high59 Ų5937.9 Ų37.961%0.60822%0.215SC*.THydrogen-bonded Turntrans80.70.1-179.600000114.7F243F243-G245 PolarHBondContact O-N 3.26Å
246I98Very high95.6Very high7 Ų738.6 Ų38.64%0.03622%0.22CC..  trans-99.6132.2176-59.4-62.3000109.9P210 Y214 F239 F243 P244 G292 F294P210-I246 HydrophobicContact CB-CD1 4.31Å; P210-I246 HydrophobicContact CG-CD1 4.37Å; Y214-I246 HydrophobicContact CD2-CD1 4.35Å; Y214-I246 HydrophobicContact CE2-CD1 3.72Å; F239-I246 HydrophobicContact CE1-CB 4.41Å; F239-I246 HydrophobicContact CE1-CG2 4.03Å; F239-I246 HydrophobicContact CZ-CG2 4.11Å; F243-I246 HydrophobicContact CB-CB 3.8Å; F243-I246 HydrophobicContact CB-CG1 4.08Å; F243-I246 HydrophobicContact CB-CG2 4.33Å; F243-I246 WeakPolarHBondContact O-CB 3.24Å; F243-I246 PolarHBondContact O-N 3.38Å; F243-I246 VanDerWaalsContact O-N 3.12Å; P244-I246 VanDerWaalsContact C-N 3.26Å; P244-I246 PolarHBondContact O-N 3.12Å; I246-G292 CarbonylContact C-O 3.55Å; I246-G292 VanDerWaalsContact CA-O 3.32Å; I246-G292 WeakPolarHBondContact CA-O 3.27Å; I246-G292 WeakPolarHBondContact CG2-O 3.37Å; I246-F294 HydrophobicContact CG2-CB 3.39Å; I246-F294 HydrophobicContact CG2-CD2 4.19Å; I246-F294 HydrophobicContact CG2-CG 4.07Å
247T97.9Very high95.5Very high52 Ų5237.8 Ų37.832%0.31921%0.213SC..EExtended strand (participates in β ladder)trans-103.1115176.5-57.60000109.9W249 N270 G292 F294T247-W249 HydrophobicContact CG2-CD2 4.45Å; T247-W249 HydrophobicContact CG2-CZ2 3.68Å; T247-N270 WeakPolarHBondContact CG2-ND2 3.35Å; T247-G292 PolarHBondContact N-O 3.18Å; T247-F294 PolarHBondContact O-N 3.16Å
248P98.3Very high95.4Very high1 Ų140.6 Ų40.61%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-76136176.431.7-33000110.5F232 F239 N270 F294F232-P248 HydrophobicContact CB-CB 4.14Å; F232-P248 HydrophobicContact CD1-CB 4.45Å; F232-P248 VanDerWaalsContact O-CB 3.29Å; F232-P248 WeakPolarHBondContact O-CB 3.44Å; F232-P248 WeakPolarHBondContact O-CG 3.34Å; F239-P248 HydrophobicContact CD1-CB 3.95Å; F239-P248 HydrophobicContact CD1-CG 3.49Å; F239-P248 VanDerWaalsContact CD1-CG 3.49Å; F239-P248 HydrophobicContact CD2-CB 4.3Å; F239-P248 HydrophobicContact CD2-CG 4.48Å; F239-P248 HydrophobicContact CE1-CB 3.68Å; F239-P248 VanDerWaalsContact CE1-CD 3.48Å; F239-P248 HydrophobicContact CE1-CG 3.64Å; F239-P248 HydrophobicContact CE2-CB 4.06Å; F239-P248 HydrophobicContact CG-CB 4.27Å; F239-P248 HydrophobicContact CG-CG 3.97Å; F239-P248 HydrophobicContact CZ-CB 3.74Å; F239-P248 HydrophobicContact CZ-CG 4.22Å; P248-N270 WeakPolarHBondContact O-CB 3.2Å; P248-N270 VanDerWaalsContact O-CG 3.3Å; P248-N270 PolarHBondContact O-ND2 3.49Å; P248-F294 WeakPolarHBondContact CA-O 3.41Å
249W98.5Very high95.3Very high19 Ų1935.8 Ų35.87%0.07220%0.202CC..EExtended strand (participates in β ladder)trans-125.6133.2172.9-58.494.1000108.9G115 T247 N270 V272 L282 N293 F294 V295 V296G115-W249 VanDerWaalsContact C-CZ3 3.49Å; G115-W249 WeakPolarHBondContact O-CH2 3.36Å; G115-W249 WeakPolarHBondContact O-CZ3 3.37Å; T247-W249 HydrophobicContact CG2-CD2 4.45Å; T247-W249 HydrophobicContact CG2-CZ2 3.68Å; W249-N270 CarbonylContact C-O 3.53Å; W249-N270 WeakPolarHBondContact CA-O 3.38Å; W249-N270 HydrophobicContact CD2-CB 4.28Å; W249-N270 HydrophobicContact CE3-CB 3.69Å; W249-N270 WeakPolarHBondContact CH2-ND2 3.49Å; W249-N270 HydrophobicContact CZ3-CB 3.98Å; W249-N270 WeakPolarHBondContact CZ3-ND2 3.29Å; W249-V272 HydrophobicContact CE3-CG1 3.94Å; W249-V272 HydrophobicContact CZ3-CG1 4.37Å; W249-L282 HydrophobicContact CB-CD1 3.88Å; W249-L282 HydrophobicContact CD2-CD1 3.74Å; W249-L282 HydrophobicContact CD2-CD2 4.01Å; W249-L282 HydrophobicContact CE3-CD1 4.18Å; W249-L282 HydrophobicContact CE3-CD2 4.48Å; W249-L282 HydrophobicContact CG-CD1 3.6Å; W249-L282 HydrophobicContact CG-CD2 4.45Å; W249-L282 HydrophobicContact CH2-CD2 4.46Å; W249-L282 HydrophobicContact CZ2-CD2 3.95Å; W249-N293 PolarHBondContact NE1-OD1 3.1Å; W249-F294 PolarHBondContact N-O 2.82Å; W249-V295 HydrophobicContact CB-CG2 4.3Å; W249-V295 HydrophobicContact CG-CG2 4.48Å; W249-V296 WeakPolarHBondContact O-CB 3.37Å; W249-V296 PolarHBondContact O-N 2.85Å
250L98.4Very high95.2Very high10 Ų1036.1 Ų36.15%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-108.9133.5173.5-168.763.1000109.5A228 L233 N270 L271 V272 V296 L298A228-L250 HydrophobicContact CB-CD1 4.01Å; A228-L250 HydrophobicContact CB-CD2 4.21Å; L233-L250 HydrophobicContact CD1-CB 3.89Å; L233-L250 HydrophobicContact CD1-CD2 3.56Å; L233-L250 HydrophobicContact CD1-CG 4.33Å; L233-L250 HydrophobicContact CD2-CB 3.56Å; L233-L250 HydrophobicContact CG-CB 3.74Å; L233-L250 HydrophobicContact CG-CD2 3.95Å; L250-N270 PolarHBondContact N-O 2.96Å; L250-L271 HydrophobicContact CB-CD2 4.01Å; L250-L271 HydrophobicContact CD2-CD2 4.29Å; L250-L271 HydrophobicContact CG-CD2 4.25Å; L250-L271 CarbonylContact O-C 3.53Å; L250-L271 VanDerWaalsContact O-CA 3.29Å; L250-L271 WeakPolarHBondContact O-CA 3.29Å; L250-V272 PolarHBondContact O-N 2.95Å; L250-V296 HydrophobicContact CD1-CB 3.73Å; L250-V296 HydrophobicContact CD1-CG1 3.69Å; L250-L298 HydrophobicContact CD1-CD1 3.51Å; L250-L298 HydrophobicContact CG-CD1 4.46Å
251T97.3Very high95.2Very high13 Ų1336.4 Ų36.48%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-89.8143.3176.264.40000111.5V272 L279 V295 V296 V297T251-V272 CarbonylContact C-O 3.49Å; T251-V272 VanDerWaalsContact CA-O 3.29Å; T251-V272 WeakPolarHBondContact CA-O 3.44Å; T251-V272 HydrophobicContact CG2-CG2 3.95Å; T251-L279 HydrophobicContact CG2-CD1 4.25Å; T251-L279 HydrophobicContact CG2-CG 4.21Å; T251-V295 HydrophobicContact CG2-CG1 3.93Å; T251-V296 WeakPolarHBondContact CG2-O 3.28Å; T251-V296 PolarHBondContact N-O 2.93Å; T251-V296 PolarHBondContact OG1-O 3.17Å; T251-V296 VanDerWaalsContact OG1-O 3.06Å; T251-V297 HydrophobicContact CG2-CG2 3.96Å; T251-V297 WeakPolarHBondContact OG1-CA 3.35Å
252T94.8Very high95.4Very high31 Ų3134 Ų3419%0.1919%0.186CC..EExtended strand (participates in β ladder)trans-140171.7171.5-165.10000110.8N256 F257 L271 V272 A273 A274T252-N256 HydrophobicContact CG2-CB 4.28Å; T252-N256 PolarHBondContact OG1-ND2 2.94Å; T252-F257 HydrophobicContact CG2-CD2 4.4Å; T252-F257 HydrophobicContact CG2-CE2 3.44Å; T252-F257 VanDerWaalsContact CG2-CE2 3.44Å; T252-F257 HydrophobicContact CG2-CZ 3.73Å; T252-L271 HydrophobicContact CG2-CD2 4.04Å; T252-V272 PolarHBondContact N-O 3.28Å; T252-A273 CarbonylContact O-C 2.99Å; T252-A273 WeakPolarHBondContact O-CA 3.43Å; T252-A274 WeakPolarHBondContact O-CB 3.47Å; T252-A274 PolarHBondContact O-N 2.98Å
253L92.5Very high95.5Very high62 Ų6231.2 Ų31.233%0.32517%0.174SC..  trans-63.2138.9-178.9-61.4174.8000111.3I255 N256 F370L253-I255 HydrophobicContact CB-CG2 3.91Å; L253-I255 HydrophobicContact CD1-CG2 4.49Å; L253-I255 PolarHBondContact O-N 3.47Å; L253-I255 VanDerWaalsContact O-N 3.15Å; L253-N256 WeakPolarHBondContact O-CB 3.24Å; L253-N256 PolarHBondContact O-N 2.85Å; L253-F370 HydrophobicContact CD1-CB 3.58Å
254E93.2Very high95.5Very high80 Ų8032.7 Ų32.737%0.37418%0.182SC..G310 helixtrans-57.4-32.1179.6-164.1-160150.400112.3N256 F257 K258 A273 T275E254-N256 PolarHBondContact O-N 3.17Å; E254-F257 PolarHBondContact O-N 3.2Å; E254-K258 WeakPolarHBondContact OE1-CE 3.47Å; E254-K258 IonicContact OE1-NZ 4Å; E254-K258 PolarHBondContact OE1-NZ 3.23Å; E254-A273 HydrophobicContact CB-CB 4.24Å; E254-A273 HydrophobicContact CG-CB 4.17Å; E254-T275 HydrophobicContact CB-CG2 4.24Å; E254-T275 HydrophobicContact CG-CG2 4.35Å
255I91.4Very high95.6Very high77 Ų7733.8 Ų33.840%0.39519%0.185SC..G310 helixtrans-59.5-29.9178.8-165.6166.6000112.9L253 F257 K258L253-I255 HydrophobicContact CB-CG2 3.91Å; L253-I255 HydrophobicContact CD1-CG2 4.49Å; L253-I255 PolarHBondContact O-N 3.47Å; L253-I255 VanDerWaalsContact O-N 3.15Å; I255-F257 PolarHBondContact O-N 2.89Å; I255-K258 WeakPolarHBondContact O-CB 3.42Å; I255-K258 PolarHBondContact O-N 3.04Å
256N92.6Very high95.7Very high37 Ų3731.4 Ų31.420%0.19816%0.159CC..G310 helixtrans-64.1-24.1178.6-69.4-21.6000112T252 L253 E254 K258 Y262 L266T252-N256 HydrophobicContact CG2-CB 4.28Å; T252-N256 PolarHBondContact OG1-ND2 2.94Å; L253-N256 WeakPolarHBondContact O-CB 3.24Å; L253-N256 PolarHBondContact O-N 2.85Å; E254-N256 PolarHBondContact O-N 3.17Å; N256-K258 VanDerWaalsContact C-N 3.33Å; N256-Y262 HydrophobicContact CB-CE1 4.45Å; N256-Y262 WeakPolarHBondContact O-CD1 3.46Å; N256-L266 HydrophobicContact CB-CD1 3.71Å; N256-L266 WeakPolarHBondContact O-CD1 3.3Å
257F95.5Very high95.7Very high1 Ų131.1 Ų31.10%0.00416%0.157CC..G310 helixtrans-87.25.5177.3-60.7-84.3000113.7E112 T252 E254 I255 R263 L266 L267 L271 A273E112-F257 HydrophobicContact CB-CB 4Å; E112-F257 HydrophobicContact CB-CD1 3.48Å; E112-F257 VanDerWaalsContact CB-CD1 3.48Å; E112-F257 HydrophobicContact CB-CD2 3.77Å; E112-F257 HydrophobicContact CB-CE1 3.77Å; E112-F257 HydrophobicContact CB-CE2 4.04Å; E112-F257 HydrophobicContact CB-CG 3.47Å; E112-F257 VanDerWaalsContact CB-CG 3.47Å; E112-F257 HydrophobicContact CB-CZ 4.03Å; E112-F257 HydrophobicContact CG-CB 4Å; E112-F257 HydrophobicContact CG-CD1 4.42Å; E112-F257 HydrophobicContact CG-CD2 4.17Å; E112-F257 HydrophobicContact CG-CG 3.95Å; T252-F257 HydrophobicContact CG2-CD2 4.4Å; T252-F257 HydrophobicContact CG2-CE2 3.44Å; T252-F257 VanDerWaalsContact CG2-CE2 3.44Å; T252-F257 HydrophobicContact CG2-CZ 3.73Å; E254-F257 PolarHBondContact O-N 3.2Å; I255-F257 PolarHBondContact O-N 2.89Å; F257-R263 HydrophobicContact CB-CG 4.22Å; F257-R263 HydrophobicContact CD1-CG 4.32Å; F257-R263 VanDerWaalsContact O-CD 3.29Å; F257-R263 WeakPolarHBondContact O-CD 3.36Å; F257-R263 WeakPolarHBondContact O-CG 3.32Å; F257-L266 HydrophobicContact CD1-CB 4.3Å; F257-L266 HydrophobicContact CD1-CD1 4.34Å; F257-L266 HydrophobicContact CE1-CB 3.89Å; F257-L266 HydrophobicContact CE1-CD1 4.35Å; F257-L267 HydrophobicContact CD1-CD2 3.98Å; F257-L267 HydrophobicContact CD1-CG 4.19Å; F257-L267 HydrophobicContact CE1-CD2 3.78Å; F257-L267 HydrophobicContact CE1-CG 4.23Å; F257-L271 HydrophobicContact CZ-CB 4.17Å; F257-A273 HydrophobicContact CD2-CB 4.25Å; F257-A273 HydrophobicContact CE2-CB 4.07Å
258K94.3Very high95.6Very high83 Ų8329.1 Ų29.136%0.36115%0.146SC..G310 helixtrans-90.5-21.8179.9-56.1-56.7179.6-162.30113.9W43 E254 I255 N256 P260W43-K258 HydrophobicContact CZ2-CB 4.37Å; W43-K258 WeakPolarHBondContact CZ2-O 3.38Å; E254-K258 WeakPolarHBondContact OE1-CE 3.47Å; E254-K258 IonicContact OE1-NZ 4Å; E254-K258 PolarHBondContact OE1-NZ 3.23Å; I255-K258 WeakPolarHBondContact O-CB 3.42Å; I255-K258 PolarHBondContact O-N 3.04Å; N256-K258 VanDerWaalsContact C-N 3.33Å; K258-P260 WeakPolarHBondContact O-CD 3.49Å
259A94.6Very high95.6Very high2 Ų229.2 Ų29.22%0.01715%0.146CC..SBendtrans-77.5122.7179.200000111.2A39 W43 Y262 R263A39-A259 HydrophobicContact CB-CB 3.9Å; W43-A259 HydrophobicContact CG-CB 4.37Å; A259-Y262 HydrophobicContact CB-CD1 4.35Å; A259-R263 VanDerWaalsContact O-CB 3.24Å; A259-R263 WeakPolarHBondContact O-CB 3.11Å; A259-R263 PolarHBondContact O-N 3.26Å
260P95.1Very high95.6Very high6 Ų628.4 Ų28.44%0.03914%0.143CC..THydrogen-bonded Turntrans-51.7148.6172.5-28.637.9000112C42 W43 W46 Y101 K258 Y262C42-P260 WeakPolarHBondContact CB-O 3.22Å; W43-P260 HydrophobicContact CZ3-CG 4.38Å; W46-P260 HydrophobicContact CB-CB 4.23Å; W46-P260 HydrophobicContact CB-CG 4.05Å; W46-P260 HydrophobicContact CD2-CB 4.01Å; W46-P260 HydrophobicContact CD2-CG 3.95Å; W46-P260 HydrophobicContact CE3-CB 4.15Å; W46-P260 HydrophobicContact CG-CB 4.05Å; W46-P260 HydrophobicContact CG-CG 3.67Å; Y101-P260 HydrophobicContact CE1-CB 3.83Å; Y101-P260 WeakPolarHBondContact OH-CA 3.29Å; K258-P260 WeakPolarHBondContact O-CD 3.49Å; P260-Y262 PolarHBondContact O-N 3.14Å
261F94.7Very high95.5Very high63 Ų6328.3 Ų28.328%0.27614%0.143SC..THydrogen-bonded Turntrans62.7-45.9-176.6-43.8-64.1000115.6C42 L45 W46 L49 Y101 D264 L265C42-F261 HydrophobicContact CB-CB 4.42Å; C42-F261 HydrophobicContact CB-CD2 4.44Å; L45-F261 HydrophobicContact CD2-CD2 4.15Å; L45-F261 HydrophobicContact CD2-CE2 4.02Å; L45-F261 HydrophobicContact CG-CE2 4.33Å; W46-F261 AromaticContact CE3-CE2 3.71Å; W46-F261 HydrophobicContact CE3-CE2 3.71Å; W46-F261 AromaticContact CE3-CZ 3.65Å; W46-F261 HydrophobicContact CE3-CZ 3.65Å; W46-F261 HydrophobicContact CZ3-CE2 4.36Å; W46-F261 AromaticContact CZ3-CZ 3.83Å; W46-F261 HydrophobicContact CZ3-CZ 3.83Å; L49-F261 HydrophobicContact CD1-CZ 4.42Å; Y101-F261 HydrophobicContact CD2-CD1 4.45Å; Y101-F261 HydrophobicContact CD2-CE1 4.02Å; Y101-F261 AromaticContact CE2-CD1 3.94Å; Y101-F261 HydrophobicContact CE2-CD1 3.94Å; Y101-F261 AromaticContact CE2-CE1 3.94Å; Y101-F261 HydrophobicContact CE2-CE1 3.94Å; Y101-F261 HydrophobicContact CG-CE1 4.48Å; Y101-F261 PolarHBondContact OH-N 2.64Å; F261-D264 WeakPolarHBondContact CA-OD2 3.42Å; F261-D264 PolarHBondContact N-OD2 3.29Å; F261-D264 PolarHBondContact O-N 3.5Å; F261-L265 PolarHBondContact O-N 2.95Å
262Y96.5Very high95.6Very high11 Ų1127.7 Ų27.74%0.04314%0.139CC..Hα-helixtrans-63.8-43174-173-110.5000110.5M34 A39 N256 A259 P260 D264 L265 L266M34-Y262 HydrophobicContact CG-CE2 4.46Å; A39-Y262 HydrophobicContact CB-CD1 3.71Å; A39-Y262 HydrophobicContact CB-CE1 3.93Å; A39-Y262 HydrophobicContact CB-CG 4.2Å; N256-Y262 HydrophobicContact CB-CE1 4.45Å; N256-Y262 WeakPolarHBondContact O-CD1 3.46Å; A259-Y262 HydrophobicContact CB-CD1 4.35Å; P260-Y262 PolarHBondContact O-N 3.14Å; Y262-D264 VanDerWaalsContact C-N 3.27Å; Y262-D264 PolarHBondContact O-N 2.94Å; Y262-L265 HydrophobicContact CD2-CD2 4.47Å; Y262-L265 WeakPolarHBondContact O-CB 3.26Å; Y262-L265 PolarHBondContact O-N 2.89Å; Y262-L266 HydrophobicContact CD1-CD1 3.9Å; Y262-L266 HydrophobicContact CD1-CG 4.22Å; Y262-L266 HydrophobicContact CE1-CD1 3.61Å; Y262-L266 HydrophobicContact CE1-CD2 4.08Å; Y262-L266 HydrophobicContact CE1-CG 4Å; Y262-L266 HydrophobicContact CE2-CD2 4.34Å; Y262-L266 WeakPolarHBondContact O-CG 3.47Å; Y262-L266 PolarHBondContact O-N 2.93Å
263R96.5Very high95.7Very high2 Ų226.2 Ų26.21%0.00813%0.13CC..Hα-helixtrans-49.3-50.6169.3176-168.6174.4-97.10.1111.1W105 D108 E112 F257 A259 L265 L266 L267W105-R263 HydrophobicContact CH2-CB 4.1Å; W105-R263 HydrophobicContact CH2-CG 4.25Å; W105-R263 HydrophobicContact CZ3-CB 3.95Å; W105-R263 HydrophobicContact CZ3-CG 4.19Å; D108-R263 PolarHBondContact O-NH2 3.49Å; D108-R263 IonicContact OD2-CZ 2.74Å; D108-R263 VanDerWaalsContact OD2-CZ 3.24Å; D108-R263 IonicContact OD2-NH1 3.94Å; D108-R263 PolarHBondContact OD2-NH1 3.35Å; D108-R263 IonicContact OD2-NH2 3.76Å; D108-R263 PolarHBondContact OD2-NH2 3.26Å; E112-R263 IonicContact OE2-NE 2.72Å; E112-R263 IonicContact OE2-NH2 3.28Å; F257-R263 HydrophobicContact CB-CG 4.22Å; F257-R263 HydrophobicContact CD1-CG 4.32Å; F257-R263 VanDerWaalsContact O-CD 3.29Å; F257-R263 WeakPolarHBondContact O-CD 3.36Å; F257-R263 WeakPolarHBondContact O-CG 3.32Å; A259-R263 VanDerWaalsContact O-CB 3.24Å; A259-R263 WeakPolarHBondContact O-CB 3.11Å; A259-R263 PolarHBondContact O-N 3.26Å; R263-L265 VanDerWaalsContact C-N 3.32Å; R263-L265 PolarHBondContact O-N 2.92Å; R263-L266 PolarHBondContact O-N 2.7Å; R263-L267 HydrophobicContact CG-CD1 3.77Å; R263-L267 HydrophobicContact CG-CG 4.25Å; R263-L267 WeakPolarHBondContact O-CB 3.26Å; R263-L267 VanDerWaalsContact O-CG 3.28Å; R263-L267 WeakPolarHBondContact O-CG 3.25Å; R263-L267 PolarHBondContact O-N 3.37Å
264D96.1Very high95.8Very high31 Ų3125.7 Ų25.717%0.16613%0.134CC..Hα-helixtrans-70.1-33.6-174.3-47.1-49.9000111.2Y101 Y104 F261 Y262 L267 S268Y101-D264 WeakPolarHBondContact CE2-OD2 3.48Å; Y101-D264 VanDerWaalsContact CZ-OD2 3.31Å; Y101-D264 PolarHBondContact OH-OD2 3.24Å; Y104-D264 WeakPolarHBondContact CE1-OD1 3.2Å; F261-D264 WeakPolarHBondContact CA-OD2 3.42Å; F261-D264 PolarHBondContact N-OD2 3.29Å; F261-D264 PolarHBondContact O-N 3.5Å; Y262-D264 VanDerWaalsContact C-N 3.27Å; Y262-D264 PolarHBondContact O-N 2.94Å; D264-L267 PolarHBondContact O-N 2.94Å; D264-S268 WeakPolarHBondContact O-CB 3.32Å; D264-S268 PolarHBondContact O-N 3.43Å
265L96.2Very high95.9Very high62 Ų6223.2 Ų23.233%0.32512%0.124SC..Hα-helixtrans-61.8-47.9169.317964.7000111.2M34 F261 Y262 R263 L267 S268 F269M34-L265 HydrophobicContact CG-CD2 4.29Å; M34-L265 HydrophobicContact SD-CD2 3.77Å; F261-L265 PolarHBondContact O-N 2.95Å; Y262-L265 HydrophobicContact CD2-CD2 4.47Å; Y262-L265 WeakPolarHBondContact O-CB 3.26Å; Y262-L265 PolarHBondContact O-N 2.89Å; R263-L265 VanDerWaalsContact C-N 3.32Å; R263-L265 PolarHBondContact O-N 2.92Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 3.49Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.43Å; L265-S268 VanDerWaalsContact O-N 3.16Å; L265-S268 PolarHBondContact O-OG 3.46Å; L265-F269 HydrophobicContact CD1-CE2 4.11Å; L265-F269 HydrophobicContact CG-CE2 4.33Å; L265-F269 WeakPolarHBondContact O-CD2 3.44Å; L265-F269 WeakPolarHBondContact O-CE2 3.33Å
266L97.1Very high96.1Very high10 Ų1026.6 Ų26.65%0.05213%0.133CC..Hα-helixtrans-61.8-44.4176.2-61177.8000111N256 F257 Y262 R263 S268 F269 L271N256-L266 HydrophobicContact CB-CD1 3.71Å; N256-L266 WeakPolarHBondContact O-CD1 3.3Å; F257-L266 HydrophobicContact CD1-CB 4.3Å; F257-L266 HydrophobicContact CD1-CD1 4.34Å; F257-L266 HydrophobicContact CE1-CB 3.89Å; F257-L266 HydrophobicContact CE1-CD1 4.35Å; Y262-L266 HydrophobicContact CD1-CD1 3.9Å; Y262-L266 HydrophobicContact CD1-CG 4.22Å; Y262-L266 HydrophobicContact CE1-CD1 3.61Å; Y262-L266 HydrophobicContact CE1-CD2 4.08Å; Y262-L266 HydrophobicContact CE1-CG 4Å; Y262-L266 HydrophobicContact CE2-CD2 4.34Å; Y262-L266 WeakPolarHBondContact O-CG 3.47Å; Y262-L266 PolarHBondContact O-N 2.93Å; R263-L266 PolarHBondContact O-N 2.7Å; L266-S268 PolarHBondContact O-N 2.87Å; L266-F269 WeakPolarHBondContact O-CB 3.49Å; L266-F269 PolarHBondContact O-N 3.04Å; L266-L271 HydrophobicContact CB-CB 4.48Å; L266-L271 HydrophobicContact CB-CD1 3.95Å; L266-L271 HydrophobicContact CD2-CD1 3.6Å; L266-L271 HydrophobicContact CG-CD1 4.31Å
267L97.5Very high96.3Very high1 Ų129.9 Ų29.91%0.00515%0.146CC..Hα-helixtrans-65.5-21.7178.3-68.1174.2000112.8E112 S116 H117 F257 R263 D264 L265 F269E112-L267 HydrophobicContact CB-CD2 4.14Å; S116-L267 VanDerWaalsContact OG-C 3.25Å; S116-L267 WeakPolarHBondContact OG-CA 3.47Å; S116-L267 PolarHBondContact OG-O 2.84Å; H117-L267 CarbonylContact C-O 3.56Å; H117-L267 VanDerWaalsContact CA-O 3.24Å; H117-L267 WeakPolarHBondContact CA-O 3.35Å; H117-L267 PolarHBondContact N-O 3.22Å; H117-L267 VanDerWaalsContact O-O 3.12Å; F257-L267 HydrophobicContact CD1-CD2 3.98Å; F257-L267 HydrophobicContact CD1-CG 4.19Å; F257-L267 HydrophobicContact CE1-CD2 3.78Å; F257-L267 HydrophobicContact CE1-CG 4.23Å; R263-L267 HydrophobicContact CG-CD1 3.77Å; R263-L267 HydrophobicContact CG-CG 4.25Å; R263-L267 WeakPolarHBondContact O-CB 3.26Å; R263-L267 VanDerWaalsContact O-CG 3.28Å; R263-L267 WeakPolarHBondContact O-CG 3.25Å; R263-L267 PolarHBondContact O-N 3.37Å; D264-L267 PolarHBondContact O-N 2.94Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-L267 PolarHBondContact O-N 3.49Å; L267-F269 CarbonylContact C-O 3.48Å; L267-F269 PolarHBondContact O-N 2.93Å; L267-F269 VanDerWaalsContact O-O 3.06Å
268S97.3Very high96.4Very high10 Ų1029.8 Ų29.87%0.0715%0.145CC..THydrogen-bonded Turntrans-72.6-9.8173.685.40000113.5P118 K119 I122 D264 L265 L266P118-S268 CarbonylContact C-O 3.59Å; P118-S268 WeakPolarHBondContact CA-O 3.49Å; K119-S268 PolarHBondContact N-O 2.9Å; I122-S268 WeakPolarHBondContact CD1-OG 3.29Å; D264-S268 WeakPolarHBondContact O-CB 3.32Å; D264-S268 PolarHBondContact O-N 3.43Å; L265-S268 WeakPolarHBondContact O-CB 3.32Å; L265-S268 PolarHBondContact O-N 3.43Å; L265-S268 VanDerWaalsContact O-N 3.16Å; L265-S268 PolarHBondContact O-OG 3.46Å; L266-S268 PolarHBondContact O-N 2.87Å
269F97.7Very high96.5Very high3 Ų326.6 Ų26.61%0.01313%0.132CC..THydrogen-bonded Turntrans-101.9172.9164.6-59.7-87.8000110.4S116 I122 R123 W128 F229 L233 L265 L266 L267 L271S116-F269 PolarHBondContact OG-O 2.88Å; I122-F269 HydrophobicContact CG2-CD1 4.21Å; I122-F269 HydrophobicContact CG2-CE1 3.56Å; I122-F269 HydrophobicContact CG2-CE2 3.96Å; I122-F269 HydrophobicContact CG2-CZ 3.4Å; I122-F269 VanDerWaalsContact CG2-CZ 3.4Å; R123-F269 HydrophobicContact CG-CD1 4.36Å; W128-F269 HydrophobicContact CH2-CE1 4.48Å; W128-F269 HydrophobicContact CH2-CZ 4.06Å; W128-F269 AromaticContact CZ2-CE1 3.81Å; W128-F269 HydrophobicContact CZ2-CE1 3.81Å; W128-F269 AromaticContact CZ2-CZ 3.61Å; W128-F269 HydrophobicContact CZ2-CZ 3.61Å; F229-F269 HydrophobicContact CE1-CE1 4.27Å; F229-F269 HydrophobicContact CZ-CD1 4.27Å; F229-F269 AromaticContact CZ-CE1 3.9Å; F229-F269 HydrophobicContact CZ-CE1 3.9Å; F229-F269 HydrophobicContact CZ-CE2 4.21Å; F229-F269 AromaticContact CZ-CZ 3.88Å; F229-F269 HydrophobicContact CZ-CZ 3.88Å; L233-F269 HydrophobicContact CB-CB 4.41Å; L233-F269 HydrophobicContact CB-CD1 4.13Å; L233-F269 HydrophobicContact CD1-CB 4.47Å; L233-F269 HydrophobicContact CD2-CB 4.27Å; L265-F269 HydrophobicContact CD1-CE2 4.11Å; L265-F269 HydrophobicContact CG-CE2 4.33Å; L265-F269 WeakPolarHBondContact O-CD2 3.44Å; L265-F269 WeakPolarHBondContact O-CE2 3.33Å; L266-F269 WeakPolarHBondContact O-CB 3.49Å; L266-F269 PolarHBondContact O-N 3.04Å; L267-F269 CarbonylContact C-O 3.48Å; L267-F269 PolarHBondContact O-N 2.93Å; L267-F269 VanDerWaalsContact O-O 3.06Å; F269-L271 HydrophobicContact CB-CD1 4.25Å; F269-L271 HydrophobicContact CB-CG 4.3Å; F269-L271 HydrophobicContact CD2-CD1 4.5Å; F269-L271 PolarHBondContact O-N 2.92Å
270N97.6Very high96.7Very high2 Ų226.8 Ų26.81%0.01113%0.134CC..THydrogen-bonded Turntrans-74.539.4168.5-6875.1000112.6P118 R123 L233 T247 P248 W249 L250P118-N270 WeakPolarHBondContact CB-OD1 3.45Å; R123-N270 WeakPolarHBondContact CD-OD1 3.32Å; R123-N270 PolarHBondContact NE-OD1 3.19Å; L233-N270 VanDerWaalsContact CD2-C 3.49Å; L233-N270 HydrophobicContact CD2-CB 3.88Å; L233-N270 WeakPolarHBondContact CD2-O 3.34Å; T247-N270 WeakPolarHBondContact CG2-ND2 3.35Å; P248-N270 WeakPolarHBondContact O-CB 3.2Å; P248-N270 VanDerWaalsContact O-CG 3.3Å; P248-N270 PolarHBondContact O-ND2 3.49Å; W249-N270 CarbonylContact C-O 3.53Å; W249-N270 WeakPolarHBondContact CA-O 3.38Å; W249-N270 HydrophobicContact CD2-CB 4.28Å; W249-N270 HydrophobicContact CE3-CB 3.69Å; W249-N270 WeakPolarHBondContact CH2-ND2 3.49Å; W249-N270 HydrophobicContact CZ3-CB 3.98Å; W249-N270 WeakPolarHBondContact CZ3-ND2 3.29Å; L250-N270 PolarHBondContact N-O 2.96Å
271L97.9Very high96.8Very high8 Ų829.2 Ų29.24%0.04214%0.142CC..EExtended strand (participates in β ladder)trans-86.2135.4174.8-81.8163000110.9S116 F229 L233 L250 T252 F257 L266 F269S116-L271 WeakPolarHBondContact CB-O 3.44Å; S116-L271 PolarHBondContact OG-O 2.92Å; F229-L271 HydrophobicContact CE2-CD1 4.48Å; L233-L271 HydrophobicContact CD1-CD1 3.87Å; L233-L271 HydrophobicContact CD1-CD2 3.64Å; L233-L271 HydrophobicContact CD1-CG 3.47Å; L233-L271 VanDerWaalsContact CD1-CG 3.47Å; L233-L271 HydrophobicContact CD2-CG 4.16Å; L233-L271 HydrophobicContact CG-CG 4.46Å; L250-L271 HydrophobicContact CB-CD2 4.01Å; L250-L271 HydrophobicContact CD2-CD2 4.29Å; L250-L271 HydrophobicContact CG-CD2 4.25Å; L250-L271 CarbonylContact O-C 3.53Å; L250-L271 VanDerWaalsContact O-CA 3.29Å; L250-L271 WeakPolarHBondContact O-CA 3.29Å; T252-L271 HydrophobicContact CG2-CD2 4.04Å; F257-L271 HydrophobicContact CZ-CB 4.17Å; L266-L271 HydrophobicContact CB-CB 4.48Å; L266-L271 HydrophobicContact CB-CD1 3.95Å; L266-L271 HydrophobicContact CD2-CD1 3.6Å; L266-L271 HydrophobicContact CG-CD1 4.31Å; F269-L271 HydrophobicContact CB-CD1 4.25Å; F269-L271 HydrophobicContact CB-CG 4.3Å; F269-L271 HydrophobicContact CD2-CD1 4.5Å; F269-L271 PolarHBondContact O-N 2.92Å
272V97.6Very high97Very high0 Ų026.2 Ų26.20%013%0.129CC..EExtended strand (participates in β ladder)trans-133.6159.4175.1-66.80000111.3E112 W249 L250 T251 T252 L282E112-V272 CarbonylContact O-C 3.55Å; E112-V272 WeakPolarHBondContact O-CA 3.09Å; E112-V272 WeakPolarHBondContact O-CB 3.25Å; W249-V272 HydrophobicContact CE3-CG1 3.94Å; W249-V272 HydrophobicContact CZ3-CG1 4.37Å; L250-V272 PolarHBondContact O-N 2.95Å; T251-V272 CarbonylContact C-O 3.49Å; T251-V272 VanDerWaalsContact CA-O 3.29Å; T251-V272 WeakPolarHBondContact CA-O 3.44Å; T251-V272 HydrophobicContact CG2-CG2 3.95Å; T252-V272 PolarHBondContact N-O 3.28Å; V272-L282 HydrophobicContact CB-CD1 4.42Å; V272-L282 HydrophobicContact CG1-CD1 3.97Å; V272-L282 HydrophobicContact CG2-CD1 3.86Å
273A97.1Very high97.1Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-69.7136.3176.700000110.7E112 E113 T252 E254 F257 T275E112-A273 HydrophobicContact CB-CB 4.26Å; E112-A273 HydrophobicContact CG-CB 4.1Å; E112-A273 PolarHBondContact O-N 3.25Å; E113-A273 HydrophobicContact CG-CB 4.32Å; T252-A273 CarbonylContact O-C 2.99Å; T252-A273 WeakPolarHBondContact O-CA 3.43Å; E254-A273 HydrophobicContact CB-CB 4.24Å; E254-A273 HydrophobicContact CG-CB 4.17Å; F257-A273 HydrophobicContact CD2-CB 4.25Å; F257-A273 HydrophobicContact CE2-CB 4.07Å; A273-T275 HydrophobicContact CB-CG2 4.05Å; A273-T275 PolarHBondContact O-N 3.43Å
274A94.8Very high97Very high51 Ų5126.5 Ų26.542%0.42113%0.132SC..SBendtrans-7547.2176.600000112.4T252T252-A274 WeakPolarHBondContact O-CB 3.47Å; T252-A274 PolarHBondContact O-N 2.98Å
275T95.3Very high97Very high27 Ų2727.4 Ų27.417%0.16614%0.139CC..SBendtrans-106.8152.5179.568.90000110.5E113 E254 A273 K277 G278 L279E113-T275 PolarHBondContact OE1-OG1 3.43Å; E254-T275 HydrophobicContact CB-CG2 4.24Å; E254-T275 HydrophobicContact CG-CG2 4.35Å; A273-T275 HydrophobicContact CB-CG2 4.05Å; A273-T275 PolarHBondContact O-N 3.43Å; T275-K277 PolarHBondContact O-N 2.94Å; T275-K277 VanDerWaalsContact O-N 3.15Å; T275-G278 PolarHBondContact O-N 2.87Å; T275-G278 VanDerWaalsContact O-N 3.11Å; T275-G278 PolarHBondContact OG1-N 3.43Å; T275-G278 VanDerWaalsContact OG1-N 3.11Å; T275-L279 WeakPolarHBondContact O-CD1 3.49Å; T275-L279 PolarHBondContact O-N 3Å
276Y96Very high96.9Very high148 Ų14832.4 Ų32.458%0.5816%0.161SC*.Hα-helixtrans-51.1-41.9175.6171.5-95.6000111.9S280 L326 M329Y276-S280 WeakPolarHBondContact O-CB 3.22Å; Y276-S280 PolarHBondContact O-N 3.48Å; Y276-S280 PolarHBondContact O-OG 3.47Å; Y276-L326 HydrophobicContact CD2-CD1 4.08Å; Y276-L326 HydrophobicContact CE2-CD1 3.78Å; Y276-M329 HydrophobicContact CE2-CE 4.43Å; Y276-M329 HydrophobicContact CE2-SD 4.5Å; Y276-M329 WeakPolarHBondContact OH-CE 3.33Å
277K96.8Very high96.8Very high106 Ų10636.5 Ų36.546%0.46118%0.18SC..Hα-helixtrans-65.1-45.8179.2-177171.1160.3-140.10112.4E113 T275 S280 Y281E113-K277 HydrophobicContact CB-CG 4.32Å; E113-K277 VanDerWaalsContact OE2-CD 3.25Å; E113-K277 WeakPolarHBondContact OE2-CD 3.39Å; E113-K277 VanDerWaalsContact OE2-CE 3.31Å; E113-K277 WeakPolarHBondContact OE2-CE 2.98Å; E113-K277 IonicContact OE2-NZ 2.72Å; E113-K277 PolarHBondContact OE2-NZ 3.32Å; T275-K277 PolarHBondContact O-N 2.94Å; T275-K277 VanDerWaalsContact O-N 3.15Å; K277-S280 PolarHBondContact O-OG 2.68Å; K277-Y281 VanDerWaalsContact O-CB 3.26Å; K277-Y281 WeakPolarHBondContact O-CB 3.48Å; K277-Y281 PolarHBondContact O-N 2.62Å
278G96.9Very high96.6Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-63.3-45.6177.100000113.3T275 L282T275-G278 PolarHBondContact O-N 2.87Å; T275-G278 VanDerWaalsContact O-N 3.11Å; T275-G278 PolarHBondContact OG1-N 3.43Å; T275-G278 VanDerWaalsContact OG1-N 3.11Å; G278-L282 PolarHBondContact O-N 3.24Å
279L98.1Very high96.5Very high15 Ų1539.7 Ų39.78%0.07921%0.211CC..Hα-helixtrans-70.2-46.6178.6-73.186.6000111.9L215 T251 T275 Y281 L282 L283 V295 V297 L326L215-L279 HydrophobicContact CD1-CD2 4.06Å; T251-L279 HydrophobicContact CG2-CD1 4.25Å; T251-L279 HydrophobicContact CG2-CG 4.21Å; T275-L279 WeakPolarHBondContact O-CD1 3.49Å; T275-L279 PolarHBondContact O-N 3Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 3.25Å; L279-L282 PolarHBondContact O-N 3.21Å; L279-L283 HydrophobicContact CB-CD1 4.35Å; L279-L283 VanDerWaalsContact O-CB 3.31Å; L279-L283 WeakPolarHBondContact O-CB 3.17Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.03Å; L279-V295 HydrophobicContact CG-CG1 4.41Å; L279-V297 HydrophobicContact CD2-CG2 3.65Å; L279-L326 HydrophobicContact CB-CD2 3.46Å; L279-L326 VanDerWaalsContact CB-CD2 3.46Å; L279-L326 HydrophobicContact CD2-CD2 3.81Å; L279-L326 HydrophobicContact CG-CD2 4.29Å
280S97.5Very high96.4Very high7 Ų744.5 Ų44.55%0.04924%0.237CC..Hα-helixtrans-63.2-36-179.559.20000112.5Y276 K277 L283 D284Y276-S280 WeakPolarHBondContact O-CB 3.22Å; Y276-S280 PolarHBondContact O-N 3.48Å; Y276-S280 PolarHBondContact O-OG 3.47Å; K277-S280 PolarHBondContact O-OG 2.68Å; S280-L283 PolarHBondContact O-N 2.76Å; S280-D284 WeakPolarHBondContact O-CB 3.44Å; S280-D284 PolarHBondContact O-N 2.99Å
281Y97.9Very high96.4Very high57 Ų5747.4 Ų47.422%0.22426%0.255CS..Hα-helixtrans-55.6-53.3173.5173.2-93.4000111.4K114 K277 L279 Q287 C288K114-Y281 VanDerWaalsContact CA-CE1 3.47Å; K114-Y281 HydrophobicContact CB-CE1 4.19Å; K114-Y281 HydrophobicContact CB-CE2 4.44Å; K114-Y281 HydrophobicContact CG-CE2 4.49Å; K114-Y281 WeakPolarHBondContact O-CE1 3.31Å; K114-Y281 PolarHBondContact O-OH 3.15Å; K277-Y281 VanDerWaalsContact O-CB 3.26Å; K277-Y281 WeakPolarHBondContact O-CB 3.48Å; K277-Y281 PolarHBondContact O-N 2.62Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 3.25Å; Y281-Q287 HydrophobicContact CD2-CB 3.96Å; Y281-Q287 WeakPolarHBondContact CE2-O 3.16Å; Y281-C288 HydrophobicContact CD1-CB 4.44Å; Y281-C288 HydrophobicContact CE1-CB 4.13Å; Y281-C288 VanDerWaalsContact O-CB 3.25Å; Y281-C288 WeakPolarHBondContact O-CB 3.36Å; Y281-C288 PolarHBondContact O-N 3.23Å
282L98.2Very high96.4Very high0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-68.3-35.5-179.1-71.8177.8000113.1W249 V272 G278 L279 N293 V295W249-L282 HydrophobicContact CB-CD1 3.88Å; W249-L282 HydrophobicContact CD2-CD1 3.74Å; W249-L282 HydrophobicContact CD2-CD2 4.01Å; W249-L282 HydrophobicContact CE3-CD1 4.18Å; W249-L282 HydrophobicContact CE3-CD2 4.48Å; W249-L282 HydrophobicContact CG-CD1 3.6Å; W249-L282 HydrophobicContact CG-CD2 4.45Å; W249-L282 HydrophobicContact CH2-CD2 4.46Å; W249-L282 HydrophobicContact CZ2-CD2 3.95Å; V272-L282 HydrophobicContact CB-CD1 4.42Å; V272-L282 HydrophobicContact CG1-CD1 3.97Å; V272-L282 HydrophobicContact CG2-CD1 3.86Å; G278-L282 PolarHBondContact O-N 3.24Å; L279-L282 PolarHBondContact O-N 3.21Å; L282-N293 PolarHBondContact O-ND2 3.25Å; L282-V295 HydrophobicContact CB-CG2 3.88Å; L282-V295 HydrophobicContact CD1-CG2 4.02Å
283L98.3Very high96.4Very high0 Ų047.2 Ų47.20%025%0.254CS..Hα-helixtrans-82.7-15.5-175.1-68.3175000113.3N213 L215 L279 S280 P285 V295 L326 T330 S332N213-L283 HydrophobicContact CB-CD2 4.24Å; N213-L283 PolarHBondContact ND2-O 3.13Å; L215-L283 HydrophobicContact CB-CD1 4.17Å; L215-L283 HydrophobicContact CB-CD2 4.21Å; L215-L283 HydrophobicContact CD1-CD1 4.08Å; L215-L283 HydrophobicContact CD2-CD1 4Å; L215-L283 HydrophobicContact CG-CD1 4.29Å; L279-L283 HydrophobicContact CB-CD1 4.35Å; L279-L283 VanDerWaalsContact O-CB 3.31Å; L279-L283 WeakPolarHBondContact O-CB 3.17Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.03Å; S280-L283 PolarHBondContact O-N 2.76Å; L283-P285 WeakPolarHBondContact O-CD 3.5Å; L283-V295 HydrophobicContact CD2-CB 4.03Å; L283-V295 HydrophobicContact CD2-CG2 3.64Å; L283-V295 HydrophobicContact CG-CG2 4.14Å; L283-L326 HydrophobicContact CD1-CD2 3.81Å; L283-L326 HydrophobicContact CD1-CG 3.96Å; L283-T330 HydrophobicContact CB-CG2 3.84Å; L283-S332 WeakPolarHBondContact CB-OG 3.44Å; L283-S332 PolarHBondContact O-OG 2.69Å
284D95.9Very high96.5Very high19 Ų1947.2 Ų47.210%0.10225%0.254CS..  trans-102.1108.5177.2-170.8-2.6000111.2S280 Q286 Q287 C288 K399S280-D284 WeakPolarHBondContact O-CB 3.44Å; S280-D284 PolarHBondContact O-N 2.99Å; D284-Q286 PolarHBondContact O-N 3.12Å; D284-Q286 VanDerWaalsContact O-N 3.09Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.19Å; D284-Q286 PolarHBondContact OD1-N 3.07Å; D284-Q286 VanDerWaalsContact OD1-N 3.16Å; D284-Q287 HydrophobicContact CB-CB 4.23Å; D284-Q287 HydrophobicContact CB-CG 4.1Å; D284-Q287 PolarHBondContact O-N 3.4Å; D284-Q287 PolarHBondContact OD2-NE2 3.14Å; D284-C288 PolarHBondContact O-N 2.74Å; D284-K399 IonicContact OD1-NZ 2.67Å
285P94.5Very high96.6Very high50 Ų5044.8 Ų44.833%0.32523%0.234SC..Hα-helixtrans-57.8-26.1179.3-24.334.6000113.6L283 Q287 G289 T291L283-P285 WeakPolarHBondContact O-CD 3.5Å; P285-Q287 VanDerWaalsContact C-N 3.28Å; P285-Q287 PolarHBondContact O-N 3.2Å; P285-G289 VanDerWaalsContact O-CA 3.23Å; P285-G289 WeakPolarHBondContact O-CA 3.32Å; P285-G289 PolarHBondContact O-N 2.85Å; P285-T291 HydrophobicContact CB-CG2 3.94Å; P285-T291 HydrophobicContact CG-CG2 3.84Å
286Q94.3Very high96.8Very high167 Ų16743.5 Ų43.578%0.7823%0.226SC*.Hα-helixtrans-71.6-24.5177.7-62.4-178.8-6.500112.6D284D284-Q286 PolarHBondContact O-N 3.12Å; D284-Q286 VanDerWaalsContact O-N 3.09Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.19Å; D284-Q286 PolarHBondContact OD1-N 3.07Å; D284-Q286 VanDerWaalsContact OD1-N 3.16Å
287Q95Very high96.9Very high95 Ų9537.3 Ų37.344%0.44420%0.204SC..Hα-helixtrans-94.2-51.3179.1-65.4-178.351.400111.7Y281 D284 P285 G289Y281-Q287 HydrophobicContact CD2-CB 3.96Å; Y281-Q287 WeakPolarHBondContact CE2-O 3.16Å; D284-Q287 HydrophobicContact CB-CB 4.23Å; D284-Q287 HydrophobicContact CB-CG 4.1Å; D284-Q287 PolarHBondContact O-N 3.4Å; D284-Q287 PolarHBondContact OD2-NE2 3.14Å; P285-Q287 VanDerWaalsContact C-N 3.28Å; P285-Q287 PolarHBondContact O-N 3.2Å; Q287-G289 VanDerWaalsContact C-N 3.32Å
288C94.8Very high96.8Very high20 Ų2033.3 Ų33.314%0.13519%0.187CC..Hα-helixtrans-73.5-24.1-179.7-173.80000113Y281 D284 N290Y281-C288 HydrophobicContact CD1-CB 4.44Å; Y281-C288 HydrophobicContact CE1-CB 4.13Å; Y281-C288 VanDerWaalsContact O-CB 3.25Å; Y281-C288 WeakPolarHBondContact O-CB 3.36Å; Y281-C288 PolarHBondContact O-N 3.23Å; D284-C288 PolarHBondContact O-N 2.74Å; C288-N290 PolarHBondContact O-N 3.31Å
289G94.8Very high96.6Very high58 Ų5833.6 Ų33.660%0.59819%0.188SC*.SBendtrans74.83.3-17300000114.7P285 Q287P285-G289 VanDerWaalsContact O-CA 3.23Å; P285-G289 WeakPolarHBondContact O-CA 3.32Å; P285-G289 PolarHBondContact O-N 2.85Å; Q287-G289 VanDerWaalsContact C-N 3.32Å
290N94.7Very high96Very high104 Ų10432.9 Ų32.956%0.55619%0.185SC*.  trans-136.5156.1-177.8-67.2-42.5000111.6C288C288-N290 PolarHBondContact O-N 3.31Å
291T97.2Very high95.5Very high64 Ų6433.2 Ų33.239%0.39319%0.19SC..  trans-111178.6168.459.40000110.3P210 S211 N213 P285 N293P210-T291 CarbonylContact O-C 3.57Å; P210-T291 VanDerWaalsContact O-CB 3.24Å; P210-T291 WeakPolarHBondContact O-CB 3.3Å; P210-T291 PolarHBondContact O-OG1 3.32Å; S211-T291 WeakPolarHBondContact O-CB 3.47Å; S211-T291 WeakPolarHBondContact O-CG2 3.49Å; N213-T291 WeakPolarHBondContact OD1-CA 3.45Å; P285-T291 HydrophobicContact CB-CG2 3.94Å; P285-T291 HydrophobicContact CG-CG2 3.84Å; T291-N293 VanDerWaalsContact C-N 3.34Å
292G97.8Very high95Very high0 Ų031.4 Ų31.40%019%0.187CC..  trans79.818.5179.300000112.9P210 N212 N213 I246 T247 F294P210-G292 VanDerWaalsContact O-CA 3.32Å; P210-G292 WeakPolarHBondContact O-CA 3.42Å; P210-G292 PolarHBondContact O-N 3.19Å; N212-G292 VanDerWaalsContact O-CA 3.25Å; N212-G292 WeakPolarHBondContact O-CA 3.43Å; N212-G292 PolarHBondContact O-N 3.34Å; N212-G292 VanDerWaalsContact O-N 3.12Å; N213-G292 PolarHBondContact OD1-N 2.83Å; I246-G292 CarbonylContact C-O 3.55Å; I246-G292 VanDerWaalsContact CA-O 3.32Å; I246-G292 WeakPolarHBondContact CA-O 3.27Å; I246-G292 WeakPolarHBondContact CG2-O 3.37Å; T247-G292 PolarHBondContact N-O 3.18Å; G292-F294 PolarHBondContact O-N 3.43Å
293N98.5Very high94.5Very high3 Ų333.8 Ų33.82%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-78.3121.3176.8-69-46.5000110.2N213 Y214 W249 L282 T291 V295N213-N293 PolarHBondContact OD1-N 3.16Å; Y214-N293 PolarHBondContact N-O 2.73Å; W249-N293 PolarHBondContact NE1-OD1 3.1Å; L282-N293 PolarHBondContact O-ND2 3.25Å; T291-N293 VanDerWaalsContact C-N 3.34Å; N293-V295 HydrophobicContact CB-CG2 4.23Å
294F98.6Very high94.2Very high0 Ų033.9 Ų33.90%020%0.202CC..EExtended strand (participates in β ladder)trans-107.387.3178.3-169.1-89.6000109.6F208 Y214 V216 F232 F239 I246 T247 P248 W249 G292 V296 V335 I391F208-F294 HydrophobicContact CD1-CE2 4.12Å; F208-F294 AromaticContact CE1-CE2 3.79Å; F208-F294 HydrophobicContact CE1-CE2 3.79Å; Y214-F294 HydrophobicContact CD2-CD2 4.03Å; Y214-F294 AromaticContact CG-CD2 3.89Å; Y214-F294 HydrophobicContact CG-CD2 3.89Å; Y214-F294 HydrophobicContact CG-CE2 4.44Å; V216-F294 HydrophobicContact CB-CE1 4.12Å; V216-F294 HydrophobicContact CB-CZ 4.25Å; V216-F294 HydrophobicContact CG1-CE1 3.96Å; V216-F294 HydrophobicContact CG1-CZ 3.96Å; V216-F294 HydrophobicContact CG2-CD1 3.63Å; V216-F294 HydrophobicContact CG2-CD2 3.79Å; V216-F294 HydrophobicContact CG2-CE1 3.37Å; V216-F294 HydrophobicContact CG2-CE2 3.54Å; V216-F294 HydrophobicContact CG2-CG 3.82Å; V216-F294 HydrophobicContact CG2-CZ 3.32Å; F232-F294 HydrophobicContact CD1-CD1 4.48Å; F232-F294 HydrophobicContact CD1-CE1 4.21Å; F232-F294 HydrophobicContact CE1-CD1 4.44Å; F232-F294 AromaticContact CE1-CE1 3.74Å; F232-F294 HydrophobicContact CE1-CE1 3.74Å; F232-F294 HydrophobicContact CZ-CE1 4.48Å; F239-F294 HydrophobicContact CE2-CD1 4.26Å; F239-F294 HydrophobicContact CE2-CE1 4.33Å; F239-F294 HydrophobicContact CZ-CB 4.47Å; F239-F294 HydrophobicContact CZ-CD1 4Å; F239-F294 HydrophobicContact CZ-CE1 4.44Å; F239-F294 HydrophobicContact CZ-CG 4.21Å; I246-F294 HydrophobicContact CG2-CB 3.39Å; I246-F294 HydrophobicContact CG2-CD2 4.19Å; I246-F294 HydrophobicContact CG2-CG 4.07Å; T247-F294 PolarHBondContact O-N 3.16Å; P248-F294 WeakPolarHBondContact CA-O 3.41Å; W249-F294 PolarHBondContact N-O 2.82Å; G292-F294 PolarHBondContact O-N 3.43Å; F294-V296 HydrophobicContact CD1-CG2 3.72Å; F294-V296 HydrophobicContact CE1-CG2 3.79Å; F294-V335 HydrophobicContact CE2-CG1 4.49Å; F294-V335 HydrophobicContact CE2-CG2 4.39Å; F294-V335 HydrophobicContact CZ-CG1 4.41Å; F294-I391 HydrophobicContact CZ-CD1 4.08Å; F294-I391 HydrophobicContact CZ-CG2 4.2Å
295V98.6Very high94Very high0 Ų033.2 Ų33.20%020%0.199CC..EExtended strand (participates in β ladder)trans-92107.6-168.8-173.60000110.5Y214 L215 V216 W249 T251 L279 L282 L283 N293Y214-V295 PolarHBondContact O-N 3.22Å; L215-V295 HydrophobicContact CD1-CB 4.44Å; L215-V295 HydrophobicContact CD1-CG1 4.48Å; V216-V295 PolarHBondContact N-O 3.31Å; W249-V295 HydrophobicContact CB-CG2 4.3Å; W249-V295 HydrophobicContact CG-CG2 4.48Å; T251-V295 HydrophobicContact CG2-CG1 3.93Å; L279-V295 HydrophobicContact CG-CG1 4.41Å; L282-V295 HydrophobicContact CB-CG2 3.88Å; L282-V295 HydrophobicContact CD1-CG2 4.02Å; L283-V295 HydrophobicContact CD2-CB 4.03Å; L283-V295 HydrophobicContact CD2-CG2 3.64Å; L283-V295 HydrophobicContact CG-CG2 4.14Å; N293-V295 HydrophobicContact CB-CG2 4.23Å
296V98.7Very high93.9Very high0 Ų030.9 Ų30.90%018%0.184CC..EExtended strand (participates in β ladder)trans-92.3121.5-176.2-1720000111.4V216 Y218 F232 W249 L250 T251 F294 L298V216-V296 HydrophobicContact CB-CB 4.46Å; V216-V296 HydrophobicContact CB-CG2 4.07Å; V216-V296 HydrophobicContact CG1-CG1 4.47Å; V216-V296 HydrophobicContact CG1-CG2 4.26Å; V216-V296 HydrophobicContact CG2-CG2 4.39Å; Y218-V296 HydrophobicContact CD2-CG1 4.32Å; Y218-V296 HydrophobicContact CG-CG1 4.36Å; F232-V296 HydrophobicContact CB-CG2 4.45Å; F232-V296 HydrophobicContact CD1-CG2 3.95Å; F232-V296 HydrophobicContact CD2-CB 4.33Å; F232-V296 HydrophobicContact CD2-CG1 3.97Å; F232-V296 HydrophobicContact CD2-CG2 3.95Å; F232-V296 HydrophobicContact CE1-CG2 4.17Å; F232-V296 HydrophobicContact CE2-CG1 3.95Å; F232-V296 HydrophobicContact CE2-CG2 4.19Å; F232-V296 HydrophobicContact CG-CG2 3.85Å; F232-V296 HydrophobicContact CZ-CG2 4.3Å; W249-V296 WeakPolarHBondContact O-CB 3.37Å; W249-V296 PolarHBondContact O-N 2.85Å; L250-V296 HydrophobicContact CD1-CB 3.73Å; L250-V296 HydrophobicContact CD1-CG1 3.69Å; T251-V296 WeakPolarHBondContact CG2-O 3.28Å; T251-V296 PolarHBondContact N-O 2.93Å; T251-V296 PolarHBondContact OG1-O 3.17Å; T251-V296 VanDerWaalsContact OG1-O 3.06Å; F294-V296 HydrophobicContact CD1-CG2 3.72Å; F294-V296 HydrophobicContact CE1-CG2 3.79Å; V296-L298 HydrophobicContact CG1-CD1 4.44Å
297V97.7Very high93.9Very high19 Ų1924.2 Ų24.212%0.11515%0.154CC..EExtended strand (participates in β ladder)trans-116.5120.1177.4-173.10000109L215 V216 Y218 T251 L279 L299 F323L215-V297 HydrophobicContact CD1-CG2 3.75Å; V216-V297 PolarHBondContact O-N 2.95Å; Y218-V297 PolarHBondContact N-O 3.21Å; T251-V297 HydrophobicContact CG2-CG2 3.96Å; T251-V297 WeakPolarHBondContact OG1-CA 3.35Å; L279-V297 HydrophobicContact CD2-CG2 3.65Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-L299 HydrophobicContact CG1-CD1 4.22Å; V297-L299 PolarHBondContact O-N 2.83Å; V297-F323 HydrophobicContact CB-CD2 4.3Å; V297-F323 HydrophobicContact CB-CE2 3.91Å; V297-F323 HydrophobicContact CG1-CD2 4.48Å; V297-F323 HydrophobicContact CG2-CD2 4.29Å; V297-F323 HydrophobicContact CG2-CE2 3.95Å
298L95.3Very high93.8Very high22 Ų2220 Ų2012%0.11514%0.135CC..EExtended strand (participates in β ladder)trans-74.591.9171.1-79.461.2000107.1Y218 H221 A228 L250 V296 G300 G301Y218-L298 HydrophobicContact CD1-CD1 4.15Å; Y218-L298 HydrophobicContact CD1-CG 3.78Å; Y218-L298 HydrophobicContact CE1-CG 4.46Å; Y218-L298 HydrophobicContact CG-CD1 4.25Å; Y218-L298 HydrophobicContact CG-CG 4.33Å; H221-L298 HydrophobicContact CB-CB 4.16Å; H221-L298 HydrophobicContact CB-CD2 4.09Å; H221-L298 HydrophobicContact CB-CG 4.41Å; H221-L298 VanDerWaalsContact CD2-CB 3.43Å; H221-L298 WeakPolarHBondContact CD2-CB 3.45Å; H221-L298 WeakPolarHBondContact CD2-CD2 3.4Å; A228-L298 HydrophobicContact CB-CD1 3.88Å; A228-L298 HydrophobicContact CB-CD2 4.47Å; L250-L298 HydrophobicContact CD1-CD1 3.51Å; L250-L298 HydrophobicContact CG-CD1 4.46Å; V296-L298 HydrophobicContact CG1-CD1 4.44Å; L298-G300 VanDerWaalsContact C-N 3.28Å; L298-G300 PolarHBondContact O-N 3.41Å; L298-G301 PolarHBondContact O-N 2.92Å
299L92.2Very high93.8Very high5 Ų521.7 Ų21.73%0.02614%0.138CC..SBendtrans-67.1-33.5-158.7-161.365.8000111.6Y218 V297 T317 R320 F323Y218-L299 PolarHBondContact O-N 3.18Å; V297-L299 VanDerWaalsContact C-N 3.3Å; V297-L299 HydrophobicContact CG1-CD1 4.22Å; V297-L299 PolarHBondContact O-N 2.83Å; L299-T317 HydrophobicContact CD2-CG2 4.37Å; L299-R320 HydrophobicContact CD1-CB 4.13Å; L299-R320 HydrophobicContact CD1-CG 4.24Å; L299-R320 HydrophobicContact CD2-CB 4.18Å; L299-R320 HydrophobicContact CD2-CG 4.35Å; L299-R320 HydrophobicContact CG-CB 4.1Å; L299-R320 HydrophobicContact CG-CG 3.9Å; L299-R320 WeakPolarHBondContact O-CD 3.49Å; L299-R320 PolarHBondContact O-NE 3.09Å; L299-R320 PolarHBondContact O-NH2 3.06Å; L299-R320 VanDerWaalsContact O-NH2 3.09Å; L299-F323 HydrophobicContact CD1-CB 3.78Å; L299-F323 HydrophobicContact CD1-CD1 3.97Å; L299-F323 HydrophobicContact CD1-CD2 3.48Å; L299-F323 VanDerWaalsContact CD1-CD2 3.48Å; L299-F323 HydrophobicContact CD1-CE1 4.41Å; L299-F323 HydrophobicContact CD1-CE2 3.96Å; L299-F323 HydrophobicContact CD1-CG 3.48Å; L299-F323 VanDerWaalsContact CD1-CG 3.48Å; L299-F323 HydrophobicContact CD1-CZ 4.42Å; L299-F323 HydrophobicContact CD2-CD1 4.24Å; L299-F323 HydrophobicContact CD2-CE1 4.43Å
300G85.9Confident93.8Very high0 Ų021.7 Ų21.70%013%0.128CC..SBendtrans-71.3-33.5177.700000115.1L298 P303 E304 R320L298-G300 VanDerWaalsContact C-N 3.28Å; L298-G300 PolarHBondContact O-N 3.41Å; G300-P303 WeakPolarHBondContact O-CD 3.32Å; G300-E304 WeakPolarHBondContact CA-OE2 3.41Å; G300-R320 PolarHBondContact O-NH2 3.24Å
301G86.3Confident93.8Very high15 Ų1517.7 Ų17.716%0.15511%0.111CC..Hα-helixtrans54.7-140.1177.400000114L298 E304 A305L298-G301 PolarHBondContact O-N 2.92Å; G301-E304 PolarHBondContact O-N 3.4Å; G301-A305 PolarHBondContact O-N 3.38Å; G301-A305 VanDerWaalsContact O-N 3.14Å
302A87.5Confident93.7Very high19 Ų1919.1 Ų19.116%0.15711%0.112CC..Hα-helixtrans-58.1-43.9-174.100000115.3E304 A305 L306 T365 S371A302-E304 VanDerWaalsContact C-N 3.32Å; A302-E304 PolarHBondContact O-N 3.45Å; A302-A305 PolarHBondContact O-N 3.25Å; A302-L306 PolarHBondContact O-N 2.8Å; A302-T365 HydrophobicContact CB-CG2 3.73Å; A302-S371 WeakPolarHBondContact CA-OG 3.43Å; A302-S371 WeakPolarHBondContact O-CB 3.18Å; A302-S371 PolarHBondContact O-OG 3.37Å
303P88.8Confident93.6Very high50 Ų5019.1 Ų19.133%0.32511%0.112SC..Hα-helixtrans-57.4-42.6174-27.734.7000113.5G300 A305 L306 D307G300-P303 WeakPolarHBondContact O-CD 3.32Å; P303-A305 PolarHBondContact O-N 3.18Å; P303-L306 WeakPolarHBondContact O-CB 3.38Å; P303-L306 PolarHBondContact O-N 3.48Å; P303-L306 VanDerWaalsContact O-N 3.12Å; P303-D307 PolarHBondContact O-N 2.91Å
304E91Very high93.4Very high2 Ų219.7 Ų19.71%0.00912%0.116CC..Hα-helixtrans-69.2-34.8-178.1-164.8164.793.300112.4P220 H221 G300 G301 A302 L306 D307 S308 V314 F315 H316P220-E304 VanDerWaalsContact C-OE1 3.24Å; P220-E304 WeakPolarHBondContact CA-OE1 3.22Å; P220-E304 HydrophobicContact CB-CG 4.09Å; P220-E304 WeakPolarHBondContact CB-OE1 3.35Å; H221-E304 PolarHBondContact N-OE1 3.49Å; G300-E304 WeakPolarHBondContact CA-OE2 3.41Å; G301-E304 PolarHBondContact O-N 3.4Å; A302-E304 VanDerWaalsContact C-N 3.32Å; A302-E304 PolarHBondContact O-N 3.45Å; E304-L306 VanDerWaalsContact C-N 3.27Å; E304-L306 PolarHBondContact O-N 2.86Å; E304-D307 PolarHBondContact O-N 2.95Å; E304-D307 VanDerWaalsContact O-N 3.17Å; E304-S308 PolarHBondContact O-N 3.16Å; E304-V314 WeakPolarHBondContact CG-O 3.43Å; E304-F315 WeakPolarHBondContact OE2-CA 3.5Å; E304-H316 IonicContact OE2-CD2 3.57Å; E304-H316 PolarHBondContact OE2-N 3.02Å
305A92Very high93.2Very high4 Ų419.7 Ų19.73%0.03312%0.116CC..Hα-helixtrans-62-33.4171.300000112.5G222 I223 G301 A302 P303 D307 Q348G222-A305 WeakPolarHBondContact O-CA 3.36Å; G222-A305 WeakPolarHBondContact O-CB 3.15Å; I223-A305 WeakPolarHBondContact CD1-O 3.4Å; G301-A305 PolarHBondContact O-N 3.38Å; G301-A305 VanDerWaalsContact O-N 3.14Å; A302-A305 PolarHBondContact O-N 3.25Å; P303-A305 PolarHBondContact O-N 3.18Å; A305-D307 VanDerWaalsContact C-N 3.34Å; A305-Q348 PolarHBondContact O-NE2 3.2Å
306L92.9Very high92.9Very high2 Ų221 Ų211%0.0112%0.121CC..Hα-helixtrans-73.8-24.7175.9-66.2-179.5000113.3A302 P303 E304 Q348 N351 R358 Q361 P373A302-L306 PolarHBondContact O-N 2.8Å; P303-L306 WeakPolarHBondContact O-CB 3.38Å; P303-L306 PolarHBondContact O-N 3.48Å; P303-L306 VanDerWaalsContact O-N 3.12Å; E304-L306 VanDerWaalsContact C-N 3.27Å; E304-L306 PolarHBondContact O-N 2.86Å; L306-Q348 PolarHBondContact O-NE2 2.76Å; L306-Q348 PolarHBondContact O-OE1 3.47Å; L306-Q348 VanDerWaalsContact O-OE1 3.11Å; L306-N351 PolarHBondContact O-ND2 3.46Å; L306-R358 PolarHBondContact O-NH2 3.22Å; L306-Q361 HydrophobicContact CD1-CB 3.88Å; L306-Q361 HydrophobicContact CD2-CB 4.06Å; L306-Q361 VanDerWaalsContact CD2-CD 3.5Å; L306-Q361 HydrophobicContact CD2-CG 4.08Å; L306-P373 HydrophobicContact CD2-CB 4.27Å
307D92.8Very high92.4Very high26 Ų2621 Ų2114%0.13912%0.122CC..Hα-helixtrans-96-11.7179.8-64.9-24.3000113.5P303 E304 A305 R309 V314 H316 R358P303-D307 PolarHBondContact O-N 2.91Å; E304-D307 PolarHBondContact O-N 2.95Å; E304-D307 VanDerWaalsContact O-N 3.17Å; A305-D307 VanDerWaalsContact C-N 3.34Å; D307-R309 PolarHBondContact O-N 3.07Å; D307-V314 HydrophobicContact CB-CB 4.2Å; D307-V314 HydrophobicContact CB-CG1 4.27Å; D307-V314 HydrophobicContact CB-CG2 4.15Å; D307-H316 IonicContact OD2-CE1 3.92Å; D307-H316 PolarHBondContact OD2-CE1 2.9Å; D307-H316 VanDerWaalsContact OD2-CE1 3.26Å; D307-H316 IonicContact OD2-NE2 3.57Å; D307-H316 PolarHBondContact OD2-NE2 3.35Å; D307-R358 IonicContact OD1-CZ 3.87Å; D307-R358 VanDerWaalsContact OD1-CZ 3.28Å; D307-R358 IonicContact OD1-NH1 2.75Å; D307-R358 PolarHBondContact OD1-NH1 3.38Å; D307-R358 IonicContact OD1-NH2 3.45Å; D307-R358 PolarHBondContact OD1-NH2 3.36Å
308S93.6Very high91.8Very high7 Ų724.5 Ų24.55%0.04914%0.139CC..  trans-55.8117.7178.1-178.30000111.8E304 Q348E304-S308 PolarHBondContact O-N 3.16Å; S308-Q348 PolarHBondContact O-NE2 3.43Å
309R94.2Very high91.2Very high55 Ų5534.8 Ų34.821%0.20818%0.177CC..BIsolated β-bridgetrans-145.5151173.8-61-174.7-170.4102.90.8109.8D307 G311 K312 P343 N351D307-R309 PolarHBondContact O-N 3.07Å; R309-G311 PolarHBondContact O-N 3.17Å; R309-K312 HydrophobicContact CB-CB 4.45Å; R309-K312 HydrophobicContact CB-CD 4.48Å; R309-K312 PolarHBondContact O-N 2.72Å; R309-P343 CarbonylContact C-O 3.56Å; R309-P343 WeakPolarHBondContact O-CB 3.38Å; R309-N351 PolarHBondContact NH2-OD1 3.08Å
310P95.5Very high91.2Very high59 Ų5938.6 Ų38.638%0.38319%0.191SC..THydrogen-bonded Turntrans-54.2136.2177.5-26.735.7000112.3K312 N344 F346 K347P310-K312 PolarHBondContact O-N 2.93Å; P310-N344 WeakPolarHBondContact CA-OD1 3.24Å; P310-F346 WeakPolarHBondContact CD-O 3.43Å; P310-F346 WeakPolarHBondContact CG-O 3.45Å; P310-K347 HydrophobicContact CG-CG 4.13Å
311G94.2Very high91.5Very high19 Ų1943.1 Ų43.120%0.19621%0.209CC..THydrogen-bonded Turntrans71.73.7-178.100000115.1R309 N344 G434 D435R309-G311 PolarHBondContact O-N 3.17Å; G311-N344 PolarHBondContact N-OD1 3.43Å; G311-G434 WeakPolarHBondContact O-CA 3.37Å; G311-D435 PolarHBondContact O-N 3.03Å
312K95Very high92Very high94 Ų9444.8 Ų44.841%0.40923%0.226SC..EExtended strand (participates in β ladder)trans-116.3124.6179.8-64.4-163.8174.9-161.80112.1R309 P310R309-K312 HydrophobicContact CB-CB 4.45Å; R309-K312 HydrophobicContact CB-CD 4.48Å; R309-K312 PolarHBondContact O-N 2.72Å; P310-K312 PolarHBondContact O-N 2.93Å
313Y96.3Very high92.4Very high0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-111.589.8178.9-65.7-93.2000108.5P220 F315 F340 G341 P343 Y423 D431 D435 L436 M437P220-Y313 HydrophobicContact CG-CD1 4.02Å; P220-Y313 HydrophobicContact CG-CE1 4.48Å; Y313-F315 HydrophobicContact CD1-CE1 4.25Å; Y313-F340 HydrophobicContact CE1-CD1 4.18Å; Y313-F340 WeakPolarHBondContact OH-CA 3.44Å; Y313-G341 PolarHBondContact OH-N 3.5Å; Y313-P343 HydrophobicContact CD1-CG 4.47Å; Y313-P343 HydrophobicContact CE1-CG 4.11Å; Y313-Y423 AromaticContact CD1-CE2 3.88Å; Y313-Y423 HydrophobicContact CD1-CE2 3.88Å; Y313-Y423 AromaticContact CD2-CE2 3.75Å; Y313-Y423 HydrophobicContact CD2-CE2 3.75Å; Y313-Y423 AromaticContact CD2-CZ 3.97Å; Y313-Y423 VanDerWaalsContact CD2-OH 3.27Å; Y313-Y423 WeakPolarHBondContact CD2-OH 3.41Å; Y313-Y423 HydrophobicContact CE1-CE2 4.39Å; Y313-Y423 HydrophobicContact CE2-CE2 4.27Å; Y313-Y423 AromaticContact CG-CE2 3.54Å; Y313-Y423 HydrophobicContact CG-CE2 3.54Å; Y313-D431 HydrophobicContact CE2-CB 4.34Å; Y313-D431 VanDerWaalsContact CE2-OD2 3.31Å; Y313-D431 WeakPolarHBondContact CE2-OD2 3.44Å; Y313-D431 WeakPolarHBondContact OH-CB 3.34Å; Y313-D431 PolarHBondContact OH-OD2 3.49Å; Y313-D435 PolarHBondContact N-O 3.4Å; Y313-L436 WeakPolarHBondContact O-CA 3.44Å; Y313-L436 WeakPolarHBondContact O-CD1 3.24Å; Y313-M437 PolarHBondContact O-N 3.12Å
314V94.6Very high92.9Very high16 Ų1642.3 Ų42.310%0.09721%0.206CC..EExtended strand (participates in β ladder)trans-96.2114.1177.4-1740000107.9E304 D307 M437 V439E304-V314 WeakPolarHBondContact CG-O 3.43Å; D307-V314 HydrophobicContact CB-CB 4.2Å; D307-V314 HydrophobicContact CB-CG1 4.27Å; D307-V314 HydrophobicContact CB-CG2 4.15Å; V314-M437 CarbonylContact C-O 3.37Å; V314-M437 WeakPolarHBondContact CA-O 3.36Å; V314-V439 HydrophobicContact CG1-CB 4.2Å; V314-V439 HydrophobicContact CG1-CG2 3.54Å
315F95.2Very high93.2Very high0 Ų046.2 Ų46.20%022%0.223CC..EExtended strand (participates in β ladder)trans-103.6102.7-178-65.4-5.4000110.2H219 P220 E304 Y313 T317 V338 L419 Y423 L436 M437 F438 V439H219-F315 HydrophobicContact CB-CD1 3.7Å; H219-F315 HydrophobicContact CB-CD2 4.17Å; H219-F315 HydrophobicContact CB-CE1 3.62Å; H219-F315 HydrophobicContact CB-CE2 4.08Å; H219-F315 HydrophobicContact CB-CG 4.01Å; H219-F315 HydrophobicContact CB-CZ 3.82Å; P220-F315 HydrophobicContact CB-CD1 4.37Å; P220-F315 HydrophobicContact CB-CE1 4.23Å; P220-F315 HydrophobicContact CG-CE1 4.39Å; E304-F315 WeakPolarHBondContact OE2-CA 3.5Å; Y313-F315 HydrophobicContact CD1-CE1 4.25Å; F315-T317 HydrophobicContact CB-CG2 4.31Å; F315-T317 PolarHBondContact O-N 2.96Å; F315-V338 HydrophobicContact CE2-CG2 4.27Å; F315-V338 HydrophobicContact CZ-CG1 4.2Å; F315-V338 HydrophobicContact CZ-CG2 4.23Å; F315-L419 HydrophobicContact CD2-CD2 3.74Å; F315-L419 HydrophobicContact CD2-CG 4.02Å; F315-L419 HydrophobicContact CE2-CD1 4.15Å; F315-L419 HydrophobicContact CE2-CD2 4.18Å; F315-L419 HydrophobicContact CE2-CG 4.01Å; F315-Y423 HydrophobicContact CZ-CD2 4.14Å; F315-L436 HydrophobicContact CD1-CD1 4.15Å; F315-L436 HydrophobicContact CD2-CD1 3.43Å; F315-L436 VanDerWaalsContact CD2-CD1 3.43Å; F315-L436 HydrophobicContact CE1-CD1 4.12Å; F315-L436 HydrophobicContact CE2-CD1 3.41Å; F315-L436 VanDerWaalsContact CE2-CD1 3.41Å; F315-L436 HydrophobicContact CG-CD1 3.81Å; F315-L436 HydrophobicContact CZ-CD1 3.76Å; F315-M437 PolarHBondContact N-O 2.9Å; F315-F438 HydrophobicContact CB-CD1 4.12Å; F315-F438 HydrophobicContact CB-CE1 4.34Å; F315-F438 AromaticContact CD2-CE1 3.98Å; F315-F438 HydrophobicContact CD2-CE1 3.98Å; F315-F438 HydrophobicContact CD2-CZ 4.16Å; F315-V439 PolarHBondContact O-N 3.26Å
316H91.7Very high93.5Very high27 Ų2746.3 Ų46.313%0.12522%0.223CC..  trans-81.394.3-179.2-80-100000111E304 D307 V439E304-H316 IonicContact OE2-CD2 3.57Å; E304-H316 PolarHBondContact OE2-N 3.02Å; D307-H316 IonicContact OD2-CE1 3.92Å; D307-H316 PolarHBondContact OD2-CE1 2.9Å; D307-H316 VanDerWaalsContact OD2-CE1 3.26Å; D307-H316 IonicContact OD2-NE2 3.57Å; D307-H316 PolarHBondContact OD2-NE2 3.35Å; H316-V439 CarbonylContact C-O 3.59Å; H316-V439 WeakPolarHBondContact CA-O 3.48Å
317T88.8Confident93.7Very high1 Ų146.2 Ų46.21%0.00622%0.223CC..  trans-120.3-18.5-171.959.60000113.3L299 F315 R319 R320 L416 V439L299-T317 HydrophobicContact CD2-CG2 4.37Å; F315-T317 HydrophobicContact CB-CG2 4.31Å; F315-T317 PolarHBondContact O-N 2.96Å; T317-R319 PolarHBondContact O-N 3.16Å; T317-R320 WeakPolarHBondContact O-CB 3.1Å; T317-R320 PolarHBondContact O-N 2.96Å; T317-L416 HydrophobicContact CG2-CD2 3.7Å; T317-L416 WeakPolarHBondContact OG1-CD2 3.18Å; T317-V439 PolarHBondContact N-O 3Å
318N83.6Confident94Very high91 Ų9146 Ų4649%0.48722%0.221SC..THydrogen-bonded Turntrans-64-40.4-171.3-82.5-27.1000114.1R320 K412 V439N318-R320 VanDerWaalsContact C-N 3.29Å; N318-R320 PolarHBondContact O-N 2.97Å; N318-K412 PolarHBondContact O-NZ 2.93Å; N318-V439 VanDerWaalsContact CB-OXT 3.29Å; N318-V439 WeakPolarHBondContact CB-OXT 3.46Å; N318-V439 VanDerWaalsContact CG-OXT 3.28Å; N318-V439 PolarHBondContact N-O 3.31Å; N318-V439 PolarHBondContact ND2-OXT 2.85Å
319R84.1Confident94.2Very high239 Ų23947.5 Ų47.590%0.90223%0.228SC*.THydrogen-bonded Turntrans-88.614.1-177.8-60.8-174.5-178.1-179.31.8113.9T317T317-R319 PolarHBondContact O-N 3.16Å
320R90.3Very high94.4Very high85 Ų8545.7 Ų45.732%0.32122%0.223SC..  trans-104.230.9-169.7-56.4-65.4-175-176.77.2114L299 G300 T317 N318 G322 F323 F324L299-R320 HydrophobicContact CD1-CB 4.13Å; L299-R320 HydrophobicContact CD1-CG 4.24Å; L299-R320 HydrophobicContact CD2-CB 4.18Å; L299-R320 HydrophobicContact CD2-CG 4.35Å; L299-R320 HydrophobicContact CG-CB 4.1Å; L299-R320 HydrophobicContact CG-CG 3.9Å; L299-R320 WeakPolarHBondContact O-CD 3.49Å; L299-R320 PolarHBondContact O-NE 3.09Å; L299-R320 PolarHBondContact O-NH2 3.06Å; L299-R320 VanDerWaalsContact O-NH2 3.09Å; G300-R320 PolarHBondContact O-NH2 3.24Å; T317-R320 WeakPolarHBondContact O-CB 3.1Å; T317-R320 PolarHBondContact O-N 2.96Å; N318-R320 VanDerWaalsContact C-N 3.29Å; N318-R320 PolarHBondContact O-N 2.97Å; R320-G322 PolarHBondContact O-N 3.47Å; R320-G322 VanDerWaalsContact O-N 3.17Å; R320-F323 WeakPolarHBondContact O-CB 3.38Å; R320-F323 PolarHBondContact O-N 2.91Å; R320-F323 VanDerWaalsContact O-N 3.08Å; R320-F324 HydrophobicContact CB-CE2 4.43Å; R320-F324 VanDerWaalsContact O-CD2 3.28Å; R320-F324 WeakPolarHBondContact O-CD2 3.26Å
321Y93.7Very high94.5Very high95 Ų9543.8 Ų43.837%0.37321%0.214SC..Hα-helixtrans-50.3-40.9178.3178.5-93.1000113.8F323 F324 K325 R405 I408Y321-F323 PolarHBondContact O-N 2.97Å; Y321-F324 PolarHBondContact O-N 2.95Å; Y321-K325 HydrophobicContact CD1-CB 4.48Å; Y321-K325 HydrophobicContact CE1-CB 4.27Å; Y321-K325 HydrophobicContact CE1-CD 4.02Å; Y321-K325 WeakPolarHBondContact O-CB 3.46Å; Y321-K325 PolarHBondContact O-N 3.33Å; Y321-R405 WeakPolarHBondContact OH-CG 3.19Å; Y321-I408 HydrophobicContact CD2-CG2 3.58Å; Y321-I408 HydrophobicContact CE1-CD1 4.01Å; Y321-I408 HydrophobicContact CE2-CB 3.87Å; Y321-I408 HydrophobicContact CE2-CD1 3.83Å; Y321-I408 HydrophobicContact CE2-CG1 4.46Å; Y321-I408 HydrophobicContact CE2-CG2 3.41Å; Y321-I408 VanDerWaalsContact CE2-CG2 3.41Å; Y321-I408 HydrophobicContact CG-CG2 4.35Å; Y321-I408 WeakPolarHBondContact OH-CD1 3.36Å
322G95.6Very high94.7Very high50 Ų5042.9 Ų42.952%0.51521%0.205SC..Hα-helixtrans-61.5-29-178.900000114.3R320 L326R320-G322 PolarHBondContact O-N 3.47Å; R320-G322 VanDerWaalsContact O-N 3.17Å; G322-L326 VanDerWaalsContact O-CB 3.28Å; G322-L326 WeakPolarHBondContact O-CB 3.43Å; G322-L326 PolarHBondContact O-N 3.46Å
323F97.1Very high94.8Very high16 Ų1640 Ų407%0.0719%0.193CC..Hα-helixtrans-66.8-49.9178.4177-97.7000111.4L215 V297 L299 R320 Y321 L326 A327 L334 Y415L215-F323 HydrophobicContact CD1-CD2 4.07Å; L215-F323 HydrophobicContact CD1-CE2 3.48Å; L215-F323 VanDerWaalsContact CD1-CE2 3.48Å; L215-F323 HydrophobicContact CD1-CZ 4.21Å; L215-F323 HydrophobicContact CD2-CD2 3.87Å; L215-F323 HydrophobicContact CD2-CE2 3.82Å; L215-F323 HydrophobicContact CD2-CG 4.36Å; L215-F323 HydrophobicContact CD2-CZ 4.24Å; L215-F323 WeakPolarHBondContact CD2-O 3.35Å; L215-F323 HydrophobicContact CG-CD2 3.97Å; L215-F323 HydrophobicContact CG-CE2 3.38Å; L215-F323 HydrophobicContact CG-CZ 3.68Å; V297-F323 HydrophobicContact CB-CD2 4.3Å; V297-F323 HydrophobicContact CB-CE2 3.91Å; V297-F323 HydrophobicContact CG1-CD2 4.48Å; V297-F323 HydrophobicContact CG2-CD2 4.29Å; V297-F323 HydrophobicContact CG2-CE2 3.95Å; L299-F323 HydrophobicContact CD1-CB 3.78Å; L299-F323 HydrophobicContact CD1-CD1 3.97Å; L299-F323 HydrophobicContact CD1-CD2 3.48Å; L299-F323 VanDerWaalsContact CD1-CD2 3.48Å; L299-F323 HydrophobicContact CD1-CE1 4.41Å; L299-F323 HydrophobicContact CD1-CE2 3.96Å; L299-F323 HydrophobicContact CD1-CG 3.48Å; L299-F323 VanDerWaalsContact CD1-CG 3.48Å; L299-F323 HydrophobicContact CD1-CZ 4.42Å; L299-F323 HydrophobicContact CD2-CD1 4.24Å; L299-F323 HydrophobicContact CD2-CE1 4.43Å; R320-F323 WeakPolarHBondContact O-CB 3.38Å; R320-F323 PolarHBondContact O-N 2.91Å; R320-F323 VanDerWaalsContact O-N 3.08Å; Y321-F323 PolarHBondContact O-N 2.97Å; F323-L326 PolarHBondContact O-N 3.24Å; F323-A327 PolarHBondContact O-N 2.89Å; F323-L334 HydrophobicContact CD1-CD2 4.14Å; F323-L334 HydrophobicContact CE1-CD2 3.45Å; F323-L334 VanDerWaalsContact CE1-CD2 3.45Å; F323-L334 HydrophobicContact CZ-CD2 3.86Å; F323-Y415 HydrophobicContact CE1-CE2 4.47Å
324F98Very high95Very high0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-67.6-39.3177.3-54.5-74.1000112.1R320 Y321 L326 A327 L328 L334 I408 K412 Y415R320-F324 HydrophobicContact CB-CE2 4.43Å; R320-F324 VanDerWaalsContact O-CD2 3.28Å; R320-F324 WeakPolarHBondContact O-CD2 3.26Å; Y321-F324 PolarHBondContact O-N 2.95Å; F324-L326 VanDerWaalsContact C-N 3.3Å; F324-L326 PolarHBondContact O-N 3.04Å; F324-A327 PolarHBondContact O-N 3.43Å; F324-L328 PolarHBondContact O-N 3.48Å; F324-L334 HydrophobicContact CD1-CD1 3.73Å; F324-L334 HydrophobicContact CE1-CD1 4.24Å; F324-I408 HydrophobicContact CB-CG2 3.82Å; F324-K412 HydrophobicContact CD1-CB 4.08Å; F324-K412 HydrophobicContact CD2-CB 3.92Å; F324-K412 HydrophobicContact CD2-CD 4.11Å; F324-K412 HydrophobicContact CD2-CG 3.95Å; F324-K412 HydrophobicContact CE1-CB 4.2Å; F324-K412 HydrophobicContact CE1-CG 4.22Å; F324-K412 HydrophobicContact CE2-CB 4.05Å; F324-K412 HydrophobicContact CE2-CD 3.83Å; F324-K412 HydrophobicContact CE2-CG 3.59Å; F324-K412 HydrophobicContact CG-CB 3.94Å; F324-K412 HydrophobicContact CG-CG 4.41Å; F324-K412 HydrophobicContact CZ-CB 4.19Å; F324-K412 HydrophobicContact CZ-CD 4.45Å; F324-K412 HydrophobicContact CZ-CG 3.75Å; F324-Y415 AromaticContact CE1-CD1 3.61Å; F324-Y415 HydrophobicContact CE1-CD1 3.61Å; F324-Y415 HydrophobicContact CE1-CD2 4.38Å; F324-Y415 HydrophobicContact CE1-CE1 4.32Å; F324-Y415 AromaticContact CE1-CG 3.66Å; F324-Y415 HydrophobicContact CE1-CG 3.66Å; F324-Y415 AromaticContact CZ-CD1 3.9Å; F324-Y415 HydrophobicContact CZ-CD1 3.9Å; F324-Y415 HydrophobicContact CZ-CE1 4.41Å; F324-Y415 HydrophobicContact CZ-CG 4.41Å
325K98.2Very high95.1Very high84 Ų8439.2 Ų39.237%0.36519%0.188SC..Hα-helixtrans-57.3-45.5172.7-176.4-179.4-179.1-172.60111.1Y321 L328 M329 P403 I408Y321-K325 HydrophobicContact CD1-CB 4.48Å; Y321-K325 HydrophobicContact CE1-CB 4.27Å; Y321-K325 HydrophobicContact CE1-CD 4.02Å; Y321-K325 WeakPolarHBondContact O-CB 3.46Å; Y321-K325 PolarHBondContact O-N 3.33Å; K325-L328 PolarHBondContact O-N 3.33Å; K325-M329 HydrophobicContact CD-SD 4.18Å; K325-M329 VanDerWaalsContact CE-SD 3.6Å; K325-M329 HydrophobicContact CG-CG 4.3Å; K325-M329 HydrophobicContact CG-SD 3.88Å; K325-M329 VanDerWaalsContact O-CG 3.29Å; K325-M329 WeakPolarHBondContact O-CG 3.31Å; K325-M329 PolarHBondContact O-N 2.9Å; K325-P403 HydrophobicContact CG-CG 4.12Å; K325-I408 HydrophobicContact CB-CD1 3.85Å; K325-I408 HydrophobicContact CB-CG1 4.4Å; K325-I408 HydrophobicContact CD-CD1 4.47Å; K325-I408 HydrophobicContact CG-CD1 3.89Å
326L98.1Very high95.3Very high7 Ų739.3 Ų39.34%0.03719%0.189CC..Hα-helixtrans-63.5-43.9-178.2-178.561.7000111.8L215 Y276 L279 L283 G322 F323 F324 L328 M329 T330L215-L326 HydrophobicContact CD2-CB 4.34Å; L215-L326 HydrophobicContact CD2-CD2 4.3Å; L215-L326 HydrophobicContact CD2-CG 4.36Å; Y276-L326 HydrophobicContact CD2-CD1 4.08Å; Y276-L326 HydrophobicContact CE2-CD1 3.78Å; L279-L326 HydrophobicContact CB-CD2 3.46Å; L279-L326 VanDerWaalsContact CB-CD2 3.46Å; L279-L326 HydrophobicContact CD2-CD2 3.81Å; L279-L326 HydrophobicContact CG-CD2 4.29Å; L283-L326 HydrophobicContact CD1-CD2 3.81Å; L283-L326 HydrophobicContact CD1-CG 3.96Å; G322-L326 VanDerWaalsContact O-CB 3.28Å; G322-L326 WeakPolarHBondContact O-CB 3.43Å; G322-L326 PolarHBondContact O-N 3.46Å; F323-L326 PolarHBondContact O-N 3.24Å; F324-L326 VanDerWaalsContact C-N 3.3Å; F324-L326 PolarHBondContact O-N 3.04Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 2.76Å; L326-M329 PolarHBondContact O-N 2.84Å; L326-M329 VanDerWaalsContact O-N 3.13Å; L326-T330 HydrophobicContact CD1-CG2 3.9Å; L326-T330 PolarHBondContact O-N 3.18Å; L326-T330 PolarHBondContact O-OG1 2.85Å
327A98.3Very high95.6Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-54.5-45.9176.500000112.5L215 F323 F324 G331 S332 L334 L411L215-A327 HydrophobicContact CD2-CB 4.17Å; F323-A327 PolarHBondContact O-N 2.89Å; F324-A327 PolarHBondContact O-N 3.43Å; A327-G331 CarbonylContact O-C 3.56Å; A327-G331 WeakPolarHBondContact O-CA 3.4Å; A327-G331 PolarHBondContact O-N 3.37Å; A327-S332 PolarHBondContact O-N 2.8Å; A327-L334 HydrophobicContact CB-CD1 4.26Å; A327-L334 HydrophobicContact CB-CD2 3.52Å; A327-L334 HydrophobicContact CB-CG 3.7Å; A327-L411 HydrophobicContact CB-CD2 4.48Å
328L98.3Very high96Very high20 Ų2038 Ų3811%0.10518%0.183CC..Hα-helixtrans-67.2-42.2175.8-69.9173.8000112.1F324 K325 L326 T330 G331 C397 K399 N400 P403 Q407 I408 L411F324-L328 PolarHBondContact O-N 3.48Å; K325-L328 PolarHBondContact O-N 3.33Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 2.76Å; L328-T330 VanDerWaalsContact C-N 3.28Å; L328-T330 PolarHBondContact O-N 2.9Å; L328-G331 PolarHBondContact O-N 3.31Å; L328-C397 HydrophobicContact CD2-CB 4.39Å; L328-K399 CarbonylContact O-C 3.43Å; L328-K399 WeakPolarHBondContact O-CA 3.36Å; L328-N400 CarbonylContact C-O 3.58Å; L328-N400 PolarHBondContact O-N 3.19Å; L328-P403 HydrophobicContact CB-CB 3.84Å; L328-P403 HydrophobicContact CB-CG 3.92Å; L328-P403 HydrophobicContact CD1-CB 3.67Å; L328-P403 HydrophobicContact CD1-CG 4.39Å; L328-P403 HydrophobicContact CG-CB 4.4Å; L328-Q407 HydrophobicContact CD1-CB 4.27Å; L328-I408 HydrophobicContact CD1-CG1 3.79Å; L328-L411 HydrophobicContact CD1-CD2 4.02Å; L328-L411 HydrophobicContact CD2-CD2 3.81Å; L328-L411 HydrophobicContact CG-CD2 3.6Å
329M98Very high96.7Very high40 Ų4033.7 Ų33.720%0.19716%0.16CC..Hα-helixtrans-61.1-35.8179.4-7418071.100113.1Y276 K325 L326 K399 N400 P403Y276-M329 HydrophobicContact CE2-CE 4.43Å; Y276-M329 HydrophobicContact CE2-SD 4.5Å; Y276-M329 WeakPolarHBondContact OH-CE 3.33Å; K325-M329 HydrophobicContact CD-SD 4.18Å; K325-M329 VanDerWaalsContact CE-SD 3.6Å; K325-M329 HydrophobicContact CG-CG 4.3Å; K325-M329 HydrophobicContact CG-SD 3.88Å; K325-M329 VanDerWaalsContact O-CG 3.29Å; K325-M329 WeakPolarHBondContact O-CG 3.31Å; K325-M329 PolarHBondContact O-N 2.9Å; L326-M329 PolarHBondContact O-N 2.84Å; L326-M329 VanDerWaalsContact O-N 3.13Å; M329-K399 WeakPolarHBondContact O-CE 3.37Å; M329-K399 WeakPolarHBondContact O-CG 3.16Å; M329-N400 WeakPolarHBondContact CA-O 3.39Å; M329-P403 HydrophobicContact CG-CG 4.07Å
330T97.6Very high97.3Very high16 Ų1622.3 Ų22.310%0.09812%0.117CC..Hα-helixtrans-96.8-13.9-178.458.40000113.4L283 L326 L328 S332L283-T330 HydrophobicContact CB-CG2 3.84Å; L326-T330 HydrophobicContact CD1-CG2 3.9Å; L326-T330 PolarHBondContact O-N 3.18Å; L326-T330 PolarHBondContact O-OG1 2.85Å; L328-T330 VanDerWaalsContact C-N 3.28Å; L328-T330 PolarHBondContact O-N 2.9Å; T330-S332 VanDerWaalsContact C-N 3.26Å; T330-S332 WeakPolarHBondContact CB-OG 3.19Å; T330-S332 WeakPolarHBondContact OG1-CB 3.35Å; T330-S332 PolarHBondContact OG1-OG 2.95Å
331G97.6Very high97.6Very high19 Ų1918.4 Ų18.420%0.19610%0.103CC..THydrogen-bonded Turntrans71.421.1-171.500000113.1A327 L328 C397A327-G331 CarbonylContact O-C 3.56Å; A327-G331 WeakPolarHBondContact O-CA 3.4Å; A327-G331 PolarHBondContact O-N 3.37Å; L328-G331 PolarHBondContact O-N 3.31Å; G331-C397 CarbonylContact C-O 3.57Å
332S98.3Very high97.7Very high1 Ų114 Ų141%0.0079%0.085CC..PPolyproline II helixtrans-83.3133-177.9-53.90000110.6N213 L283 A327 T330 C397N213-S332 CarbonylContact O-C 3.51Å; N213-S332 VanDerWaalsContact O-CA 3.26Å; N213-S332 WeakPolarHBondContact O-CA 3.1Å; N213-S332 WeakPolarHBondContact O-CB 3.49Å; L283-S332 WeakPolarHBondContact CB-OG 3.44Å; L283-S332 PolarHBondContact O-OG 2.69Å; A327-S332 PolarHBondContact O-N 2.8Å; T330-S332 VanDerWaalsContact C-N 3.26Å; T330-S332 WeakPolarHBondContact CB-OG 3.19Å; T330-S332 WeakPolarHBondContact OG1-CB 3.35Å; T330-S332 PolarHBondContact OG1-OG 2.95Å; S332-C397 VanDerWaalsContact O-CB 3.3Å; S332-C397 WeakPolarHBondContact O-CB 3.45Å; S332-C397 PolarHBondContact O-SG 2.93Å
333H98.6Very high97.7Very high33 Ų3311.7 Ų11.715%0.1536%0.061CC..EExtended strand (participates in β ladder)trans-70.2134.4-178.2-63.11.1000110.4N212 N213 Y214 L215 P394 I395 C397N212-H333 PolarHBondContact ND2-NE2 2.94Å; N212-H333 VanDerWaalsContact ND2-NE2 3.12Å; N213-H333 PolarHBondContact O-N 3.38Å; Y214-H333 CarbonylContact C-O 3.55Å; Y214-H333 WeakPolarHBondContact CA-O 3.21Å; Y214-H333 HydrophobicContact CD1-CB 4.02Å; Y214-H333 HydrophobicContact CE1-CB 4.29Å; L215-H333 PolarHBondContact N-O 3.37Å; H333-P394 HydrophobicContact CB-CB 4.09Å; H333-I395 WeakPolarHBondContact CA-O 3.31Å; H333-C397 PolarHBondContact ND1-N 3.45Å
334L98.6Very high97.7Very high0 Ų012.5 Ų12.50%07%0.066CC..EExtended strand (participates in β ladder)trans-79.8138.7177.4-74.9-179.9000110.4L215 F323 F324 A327 P394 I395 L411 Y415L215-L334 HydrophobicContact CB-CD2 4.15Å; L215-L334 HydrophobicContact CD2-CD2 4.28Å; L215-L334 HydrophobicContact CG-CD2 4.17Å; L215-L334 WeakPolarHBondContact O-CA 3.15Å; F323-L334 HydrophobicContact CD1-CD2 4.14Å; F323-L334 HydrophobicContact CE1-CD2 3.45Å; F323-L334 VanDerWaalsContact CE1-CD2 3.45Å; F323-L334 HydrophobicContact CZ-CD2 3.86Å; F324-L334 HydrophobicContact CD1-CD1 3.73Å; F324-L334 HydrophobicContact CE1-CD1 4.24Å; A327-L334 HydrophobicContact CB-CD1 4.26Å; A327-L334 HydrophobicContact CB-CD2 3.52Å; A327-L334 HydrophobicContact CB-CG 3.7Å; L334-P394 CarbonylContact O-C 3.54Å; L334-P394 WeakPolarHBondContact O-CA 3.28Å; L334-I395 HydrophobicContact CB-CB 4.22Å; L334-I395 PolarHBondContact N-O 2.71Å; L334-I395 PolarHBondContact O-N 2.83Å; L334-L411 HydrophobicContact CD1-CD1 3.93Å; L334-L411 HydrophobicContact CD1-CD2 3.69Å; L334-L411 HydrophobicContact CD1-CG 3.68Å; L334-Y415 HydrophobicContact CB-CD2 4.05Å; L334-Y415 HydrophobicContact CD1-CD2 4.14Å
335V98.6Very high97.6Very high0 Ų012.5 Ų12.50%07%0.067CC..EExtended strand (participates in β ladder)trans-128.1114.6177.8-175.10000109.4F208 Y214 L215 V216 G217 F294 I391 G392 P394F208-V335 HydrophobicContact CE1-CG1 4.3Å; F208-V335 HydrophobicContact CE1-CG2 4.14Å; Y214-V335 HydrophobicContact CD1-CG2 3.84Å; Y214-V335 HydrophobicContact CG-CG2 4.34Å; L215-V335 PolarHBondContact O-N 2.84Å; V216-V335 CarbonylContact C-O 3.56Å; V216-V335 WeakPolarHBondContact CA-O 3.3Å; V216-V335 HydrophobicContact CB-CB 4.23Å; V216-V335 HydrophobicContact CG1-CB 4.12Å; V216-V335 HydrophobicContact CG1-CG1 4.27Å; V216-V335 HydrophobicContact CG2-CB 3.88Å; V216-V335 HydrophobicContact CG2-CG2 4.17Å; G217-V335 PolarHBondContact N-O 2.94Å; F294-V335 HydrophobicContact CE2-CG1 4.49Å; F294-V335 HydrophobicContact CE2-CG2 4.39Å; F294-V335 HydrophobicContact CZ-CG1 4.41Å; V335-I391 HydrophobicContact CG1-CG2 3.58Å; V335-G392 WeakPolarHBondContact CG1-O 3.22Å; V335-P394 HydrophobicContact CG2-CB 4.19Å; V335-P394 HydrophobicContact CG2-CG 4.15Å
336P98.2Very high97.4Very high2 Ų28.7 Ų8.71%0.0135%0.05CC..EExtended strand (participates in β ladder)trans-74136.6171.129.3-30.8000110G392 Y415 E418 L419 L422P336-G392 WeakPolarHBondContact O-CA 3.36Å; P336-G392 PolarHBondContact O-N 3.46Å; P336-Y415 HydrophobicContact CB-CD2 4.47Å; P336-Y415 HydrophobicContact CB-CE2 3.88Å; P336-E418 HydrophobicContact CG-CB 4.26Å; P336-L419 HydrophobicContact CB-CB 4.09Å; P336-L419 HydrophobicContact CB-CD1 3.9Å; P336-L422 HydrophobicContact CB-CD2 4.37Å; P336-L422 HydrophobicContact CG-CD2 4.49Å
337C98.1Very high97.3Very high0 Ų012.6 Ų12.60%07%0.067CC..EExtended strand (participates in β ladder)trans-136.7126-180-179.40000109.7V216 G217 H219 T389 V390V216-C337 HydrophobicContact CG1-CB 3.89Å; G217-C337 WeakPolarHBondContact O-CB 3.46Å; G217-C337 PolarHBondContact O-N 3.13Å; H219-C337 PolarHBondContact N-O 2.7Å; C337-T389 WeakPolarHBondContact SG-CG2 3.36Å; C337-V390 WeakPolarHBondContact CA-O 3.46Å
338V98.1Very high97.1Very high0 Ų013.2 Ų13.20%07%0.069CC..EExtended strand (participates in β ladder)trans-116.6124.7179.61780000110H219 F315 F340 T389 V390 L419 L422 Y423H219-V338 CarbonylContact O-C 3.57Å; H219-V338 WeakPolarHBondContact O-CA 3.37Å; F315-V338 HydrophobicContact CE2-CG2 4.27Å; F315-V338 HydrophobicContact CZ-CG1 4.2Å; F315-V338 HydrophobicContact CZ-CG2 4.23Å; V338-F340 HydrophobicContact CB-CE2 4.08Å; V338-F340 HydrophobicContact CG1-CD2 3.9Å; V338-F340 HydrophobicContact CG1-CE1 4.16Å; V338-F340 HydrophobicContact CG1-CE2 3.48Å; V338-F340 VanDerWaalsContact CG1-CE2 3.48Å; V338-F340 HydrophobicContact CG1-CG 4.4Å; V338-F340 HydrophobicContact CG1-CZ 3.64Å; V338-T389 CarbonylContact O-C 3.55Å; V338-T389 WeakPolarHBondContact O-CA 3.01Å; V338-V390 PolarHBondContact N-O 3.28Å; V338-V390 PolarHBondContact O-N 2.9Å; V338-L419 HydrophobicContact CG2-CD1 3.47Å; V338-L419 VanDerWaalsContact CG2-CD1 3.47Å; V338-L422 HydrophobicContact CB-CD2 4.48Å; V338-L422 HydrophobicContact CG2-CD2 4.05Å; V338-L422 HydrophobicContact CG2-CG 4.38Å; V338-Y423 HydrophobicContact CG1-CD2 4.02Å
339S97.6Very high96.9Very high0 Ų015.1 Ų15.10%08%0.082CC..EExtended strand (participates in β ladder)trans-105.1100.2174-1610000111.1Y218 H219 P220 E342 V387 T389Y218-S339 WeakPolarHBondContact OH-CB 3.25Å; Y218-S339 PolarHBondContact OH-OG 3.4Å; H219-S339 PolarHBondContact O-N 3.42Å; P220-S339 WeakPolarHBondContact CD-O 3.19Å; S339-E342 PolarHBondContact OG-OE2 3.21Å; S339-E342 VanDerWaalsContact OG-OE2 3.07Å; S339-V387 WeakPolarHBondContact OG-CG1 3.24Å; S339-T389 PolarHBondContact OG-OG1 3.37Å
340F97.7Very high96.6Very high1 Ų121.5 Ų21.50%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-71.5140173.8-64.8-87.2000110.2Y313 V338 E342 V387 N388 V390 Y423 Y426 K427 Y430 D431Y313-F340 HydrophobicContact CE1-CD1 4.18Å; Y313-F340 WeakPolarHBondContact OH-CA 3.44Å; V338-F340 HydrophobicContact CB-CE2 4.08Å; V338-F340 HydrophobicContact CG1-CD2 3.9Å; V338-F340 HydrophobicContact CG1-CE1 4.16Å; V338-F340 HydrophobicContact CG1-CE2 3.48Å; V338-F340 VanDerWaalsContact CG1-CE2 3.48Å; V338-F340 HydrophobicContact CG1-CG 4.4Å; V338-F340 HydrophobicContact CG1-CZ 3.64Å; F340-E342 VanDerWaalsContact C-N 3.28Å; F340-E342 PolarHBondContact O-N 3.34Å; F340-V387 CarbonylContact O-C 3.05Å; F340-V387 VanDerWaalsContact O-CA 3.26Å; F340-V387 WeakPolarHBondContact O-CA 3.33Å; F340-N388 HydrophobicContact CB-CB 4.48Å; F340-N388 PolarHBondContact N-O 2.91Å; F340-N388 PolarHBondContact O-N 3.28Å; F340-V390 HydrophobicContact CD2-CG2 4.07Å; F340-V390 HydrophobicContact CE2-CG2 3.97Å; F340-Y423 HydrophobicContact CD1-CE2 4.38Å; F340-Y423 AromaticContact CE1-CD2 3.67Å; F340-Y423 HydrophobicContact CE1-CD2 3.67Å; F340-Y423 AromaticContact CE1-CE2 3.63Å; F340-Y423 HydrophobicContact CE1-CE2 3.63Å; F340-Y423 HydrophobicContact CE1-CG 4.46Å; F340-Y423 AromaticContact CZ-CD2 3.9Å; F340-Y423 HydrophobicContact CZ-CD2 3.9Å; F340-Y423 HydrophobicContact CZ-CE2 4.34Å; F340-Y423 HydrophobicContact CZ-CG 4.46Å; F340-Y426 VanDerWaalsContact CE2-CB 3.49Å; F340-K427 HydrophobicContact CE1-CB 4.12Å; F340-Y430 HydrophobicContact CB-CG 4.45Å; F340-Y430 AromaticContact CD2-CD2 3.83Å; F340-Y430 HydrophobicContact CD2-CD2 3.83Å; F340-Y430 HydrophobicContact CD2-CG 4.42Å; F340-Y430 HydrophobicContact CE2-CD2 4.27Å; F340-Y430 HydrophobicContact CG-CD2 4.32Å; F340-Y430 HydrophobicContact CG-CG 4.49Å; F340-D431 HydrophobicContact CD1-CB 4.12Å
341G96.6Very high96.3Very high2 Ų220.8 Ų20.82%0.02110%0.1CC..THydrogen-bonded Turntrans84.9-15.9179.300000115.8Y313 P343 N344 T385 D386Y313-G341 PolarHBondContact OH-N 3.5Å; G341-P343 VanDerWaalsContact C-CD 3.46Å; G341-N344 WeakPolarHBondContact O-CB 3.5Å; G341-N344 PolarHBondContact O-N 3Å; G341-T385 WeakPolarHBondContact O-CG2 3.47Å; G341-D386 WeakPolarHBondContact CA-O 3.21Å
342E95.4Very high96Very high3 Ų321.9 Ų21.91%0.01410%0.104CC..G310 helixtrans-49.2-48.2174.6-15673.3-150.400113.5Y218 G225 I226 G227 S339 F340 N344 V387Y218-E342 PolarHBondContact OH-OE2 2.87Å; Y218-E342 VanDerWaalsContact OH-OE2 3.08Å; G225-E342 VanDerWaalsContact C-OE1 3.23Å; G225-E342 WeakPolarHBondContact CA-OE1 3.39Å; I226-E342 PolarHBondContact N-OE1 3.36Å; G227-E342 VanDerWaalsContact CA-OE2 3.3Å; G227-E342 WeakPolarHBondContact CA-OE2 3.12Å; G227-E342 PolarHBondContact N-OE1 3.06Å; G227-E342 PolarHBondContact N-OE2 3.02Å; S339-E342 PolarHBondContact OG-OE2 3.21Å; S339-E342 VanDerWaalsContact OG-OE2 3.07Å; F340-E342 VanDerWaalsContact C-N 3.28Å; F340-E342 PolarHBondContact O-N 3.34Å; E342-N344 PolarHBondContact O-N 3.42Å; E342-V387 VanDerWaalsContact OE2-CG1 3.28Å; E342-V387 WeakPolarHBondContact OE2-CG1 3.38Å
343P95.5Very high95.6Very high1 Ų128 Ų281%0.00613%0.133CC..G310 helixtrans-76.5-8.4-179.933.4-36.9000113.6P220 R309 Y313 G341P220-P343 HydrophobicContact CG-CG 4.35Å; R309-P343 CarbonylContact C-O 3.56Å; R309-P343 WeakPolarHBondContact O-CB 3.38Å; Y313-P343 HydrophobicContact CD1-CG 4.47Å; Y313-P343 HydrophobicContact CE1-CG 4.11Å; G341-P343 VanDerWaalsContact C-CD 3.46Å
344N96Very high95.2Very high33 Ų3330.3 Ų30.318%0.17617%0.165CC..G310 helixtrans-83.3-14.9-176.3-62.1-16.5000112.8P310 G311 G341 E342 F346 T385 D431P310-N344 WeakPolarHBondContact CA-OD1 3.24Å; G311-N344 PolarHBondContact N-OD1 3.43Å; G341-N344 WeakPolarHBondContact O-CB 3.5Å; G341-N344 PolarHBondContact O-N 3Å; E342-N344 PolarHBondContact O-N 3.42Å; N344-F346 VanDerWaalsContact C-N 3.29Å; N344-F346 PolarHBondContact O-N 3.34Å; N344-T385 HydrophobicContact CB-CG2 4.13Å; N344-T385 WeakPolarHBondContact CB-OG1 3.48Å; N344-D431 PolarHBondContact ND2-OD2 3.43Å
345M96Very high95Very high1 Ų131.7 Ų31.71%0.00518%0.175CC..G310 helixtrans-66.8-27-178.4-63.7174.7-168.800113.7F135 I226 P382 Y383 T385 V387F135-M345 HydrophobicContact CD1-CE 4.18Å; F135-M345 HydrophobicContact CD1-CG 4.02Å; F135-M345 HydrophobicContact CD1-SD 4.3Å; F135-M345 HydrophobicContact CE1-CB 4.43Å; F135-M345 HydrophobicContact CE1-CG 3.85Å; F135-M345 HydrophobicContact CE1-SD 4.12Å; F135-M345 HydrophobicContact CG-CE 4.29Å; F135-M345 HydrophobicContact CZ-SD 4.44Å; I226-M345 HydrophobicContact CB-CE 4.03Å; I226-M345 HydrophobicContact CB-SD 4.09Å; I226-M345 HydrophobicContact CD1-SD 3.64Å; I226-M345 HydrophobicContact CG1-CE 4.5Å; I226-M345 HydrophobicContact CG1-SD 3.9Å; M345-P382 HydrophobicContact CB-CB 4.17Å; M345-Y383 WeakPolarHBondContact O-CD2 3.46Å; M345-Y383 PolarHBondContact O-N 2.95Å; M345-T385 HydrophobicContact CB-CG2 4.43Å; M345-T385 HydrophobicContact CG-CG2 3.52Å; M345-V387 HydrophobicContact CE-CB 4.36Å; M345-V387 HydrophobicContact CE-CG1 4.32Å; M345-V387 HydrophobicContact CE-CG2 3.18Å
346F95.2Very high94.8Very high3 Ų337.1 Ų37.11%0.01321%0.211CC..  trans-138.7147-174-58.3-84.7000111.4I32 I223 F224 I226 P310 N344 F375 A377 P382I32-F346 HydrophobicContact CD1-CZ 3.95Å; I223-F346 HydrophobicContact CB-CD2 3.91Å; I223-F346 HydrophobicContact CB-CE2 4.33Å; I223-F346 HydrophobicContact CB-CG 4.48Å; I223-F346 HydrophobicContact CG1-CB 3.93Å; I223-F346 HydrophobicContact CG1-CD2 3.88Å; I223-F346 HydrophobicContact CG1-CG 4.12Å; F224-F346 HydrophobicContact CD2-CD2 4.49Å; F224-F346 HydrophobicContact CD2-CE1 4.4Å; F224-F346 AromaticContact CD2-CE2 3.53Å; F224-F346 HydrophobicContact CD2-CE2 3.53Å; F224-F346 AromaticContact CD2-CZ 3.44Å; F224-F346 HydrophobicContact CD2-CZ 3.44Å; F224-F346 VanDerWaalsContact CD2-CZ 3.44Å; F224-F346 AromaticContact CE2-CE1 3.94Å; F224-F346 HydrophobicContact CE2-CE1 3.94Å; F224-F346 AromaticContact CE2-CE2 3.9Å; F224-F346 HydrophobicContact CE2-CE2 3.9Å; F224-F346 AromaticContact CE2-CZ 3.41Å; F224-F346 HydrophobicContact CE2-CZ 3.41Å; F224-F346 VanDerWaalsContact CE2-CZ 3.41Å; I226-F346 HydrophobicContact CD1-CE2 4.4Å; P310-F346 WeakPolarHBondContact CD-O 3.43Å; P310-F346 WeakPolarHBondContact CG-O 3.45Å; N344-F346 VanDerWaalsContact C-N 3.29Å; N344-F346 PolarHBondContact O-N 3.34Å; F346-F375 HydrophobicContact CB-CB 4.29Å; F346-F375 AromaticContact CD1-CD2 3.58Å; F346-F375 HydrophobicContact CD1-CD2 3.58Å; F346-F375 HydrophobicContact CD1-CE2 4.1Å; F346-F375 HydrophobicContact CD1-CG 4.46Å; F346-F375 AromaticContact CE1-CD2 3.99Å; F346-F375 HydrophobicContact CE1-CD2 3.99Å; F346-F375 HydrophobicContact CE1-CE2 4.03Å; F346-F375 HydrophobicContact CG-CD2 4.22Å; F346-A377 HydrophobicContact CD1-CB 4.08Å; F346-P382 HydrophobicContact CD1-CB 4.22Å; F346-P382 HydrophobicContact CE1-CB 3.56Å; F346-P382 HydrophobicContact CE1-CG 3.51Å; F346-P382 HydrophobicContact CE2-CB 4Å; F346-P382 HydrophobicContact CE2-CG 4.19Å; F346-P382 HydrophobicContact CZ-CB 3.44Å; F346-P382 VanDerWaalsContact CZ-CB 3.44Å; F346-P382 HydrophobicContact CZ-CG 3.26Å
347K95.3Very high94.6Very high90 Ų9039.6 Ų39.639%0.39122%0.224SC..EExtended strand (participates in β ladder)trans-93.6154.7163.4-68.2176.2-178.4-176.10108.8P310 F375 Y376 Y383P310-K347 HydrophobicContact CG-CG 4.13Å; K347-F375 CarbonylContact O-C 3.54Å; K347-F375 WeakPolarHBondContact O-CA 3.31Å; K347-F375 WeakPolarHBondContact O-CB 3.32Å; K347-Y376 HydrophobicContact CB-CD1 4.17Å; K347-Y376 HydrophobicContact CB-CD2 4.14Å; K347-Y376 HydrophobicContact CB-CE1 3.7Å; K347-Y376 HydrophobicContact CB-CE2 3.7Å; K347-Y376 HydrophobicContact CB-CG 4.36Å; K347-Y376 VanDerWaalsContact CB-CZ 3.45Å; K347-Y376 HydrophobicContact CD-CE2 3.79Å; K347-Y376 HydrophobicContact CG-CE2 4.36Å; K347-Y376 PolarHBondContact N-O 3.46Å; K347-Y376 PolarHBondContact O-N 2.88Å; K347-Y383 HydrophobicContact CD-CE2 4.17Å; K347-Y383 HydrophobicContact CG-CE2 4.03Å
348Q94.2Very high94.4Very high12 Ų1239.9 Ų39.96%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-124.5139.5176.6-163.4171.6162.500109.9A305 L306 S308 Y350 N351 P373 F374A305-Q348 PolarHBondContact O-NE2 3.2Å; L306-Q348 PolarHBondContact O-NE2 2.76Å; L306-Q348 PolarHBondContact O-OE1 3.47Å; L306-Q348 VanDerWaalsContact O-OE1 3.11Å; S308-Q348 PolarHBondContact O-NE2 3.43Å; Q348-Y350 PolarHBondContact O-N 3.34Å; Q348-N351 PolarHBondContact OE1-ND2 3.02Å; Q348-N351 VanDerWaalsContact OE1-ND2 3.14Å; Q348-P373 HydrophobicContact CG-CB 4.46Å; Q348-F374 WeakPolarHBondContact CG-O 3.48Å
349V93.1Very high94.2Very high61 Ų6146.7 Ų46.737%0.3725%0.252SS..  trans-55.5135.3171.9175.40000108.7N351 I357 F374 Y376V349-N351 PolarHBondContact O-N 3.35Å; V349-N351 VanDerWaalsContact O-N 3.16Å; V349-N351 PolarHBondContact O-OD1 2.87Å; V349-I357 HydrophobicContact CG1-CD1 4.04Å; V349-F374 HydrophobicContact CB-CB 4.06Å; V349-F374 HydrophobicContact CG2-CB 3.98Å; V349-F374 WeakPolarHBondContact CG2-O 3.49Å; V349-F374 PolarHBondContact N-O 3.27Å; V349-Y376 HydrophobicContact CG2-CD1 4.39Å; V349-Y376 HydrophobicContact CG2-CE1 4.45Å
350Y91.6Very high94Very high174 Ų17451.5 Ų51.568%0.68227%0.273SS*.  trans-58.9119.3-177.5-174.2-112000111.3Q348 P352Q348-Y350 PolarHBondContact O-N 3.34Å; Y350-P352 HydrophobicContact CD1-CG 4.12Å; Y350-P352 HydrophobicContact CE1-CB 4.27Å; Y350-P352 VanDerWaalsContact CE1-CD 3.47Å; Y350-P352 HydrophobicContact CE1-CG 3.49Å; Y350-P352 VanDerWaalsContact CE1-CG 3.49Å
351N91.6Very high93.8Very high0 Ų051.5 Ų51.50%027%0.273CS..  trans-140.960.1-169.362.7-26.6000111.8L306 R309 Q348 V349 I357 R358 Q361L306-N351 PolarHBondContact O-ND2 3.46Å; R309-N351 PolarHBondContact NH2-OD1 3.08Å; Q348-N351 PolarHBondContact OE1-ND2 3.02Å; Q348-N351 VanDerWaalsContact OE1-ND2 3.14Å; V349-N351 PolarHBondContact O-N 3.35Å; V349-N351 VanDerWaalsContact O-N 3.16Å; V349-N351 PolarHBondContact O-OD1 2.87Å; N351-I357 HydrophobicContact CB-CB 4.46Å; N351-I357 HydrophobicContact CB-CG2 3.92Å; N351-R358 PolarHBondContact ND2-NH2 2.88Å; N351-R358 PolarHBondContact O-NE 3.43Å; N351-R358 VanDerWaalsContact O-NE 3.1Å; N351-R358 PolarHBondContact O-NH2 3.09Å; N351-Q361 PolarHBondContact ND2-OE1 2.77Å
352P92Very high93.5Very high43 Ų4353.8 Ų53.828%0.27929%0.285SS..  trans-65.9157.7-179.431.8-37000111.4Y350 G354 S355 R358Y350-P352 HydrophobicContact CD1-CG 4.12Å; Y350-P352 HydrophobicContact CE1-CB 4.27Å; Y350-P352 VanDerWaalsContact CE1-CD 3.47Å; Y350-P352 HydrophobicContact CE1-CG 3.49Å; Y350-P352 VanDerWaalsContact CE1-CG 3.49Å; P352-G354 PolarHBondContact O-N 2.79Å; P352-S355 VanDerWaalsContact O-CB 3.26Å; P352-S355 WeakPolarHBondContact O-CB 3.36Å; P352-S355 PolarHBondContact O-N 3.03Å; P352-S355 PolarHBondContact O-OG 3.36Å; P352-R358 WeakPolarHBondContact O-CB 3.46Å
353E89.7Confident93.2Very high130 Ų13059.6 Ų59.661%0.60731%0.306SS*.THydrogen-bonded Turntrans-54.6138.2170-72.4-60.1154.100110.9S355 R358E353-S355 VanDerWaalsContact C-N 3.3Å; E353-S355 PolarHBondContact O-N 2.79Å; E353-R358 WeakPolarHBondContact OE1-CD 3.46Å; E353-R358 IonicContact OE1-NE 3.95Å; E353-R358 IonicContact OE1-NH1 3.26Å
354G90Very high92.8Very high80 Ų8062.5 Ų62.583%0.82532%0.319SS*.THydrogen-bonded Turntrans83.1-11.6-172.700000115.7P352P352-G354 PolarHBondContact O-N 2.79Å
355S94.4Very high92.4Very high29 Ų2962.1 Ų62.120%0.20332%0.318CS..SBendtrans-71153.9172.368.10000112.2P352 E353 I357 R358 Y359P352-S355 VanDerWaalsContact O-CB 3.26Å; P352-S355 WeakPolarHBondContact O-CB 3.36Å; P352-S355 PolarHBondContact O-N 3.03Å; P352-S355 PolarHBondContact O-OG 3.36Å; E353-S355 VanDerWaalsContact C-N 3.3Å; E353-S355 PolarHBondContact O-N 2.79Å; S355-I357 VanDerWaalsContact C-N 3.25Å; S355-I357 PolarHBondContact O-N 2.94Å; S355-R358 PolarHBondContact O-N 3.31Å; S355-R358 WeakPolarHBondContact OG-CB 3.27Å; S355-R358 PolarHBondContact OG-N 2.84Å; S355-R358 VanDerWaalsContact OG-N 3.16Å; S355-Y359 WeakPolarHBondContact O-CB 3.31Å; S355-Y359 PolarHBondContact O-N 3.39Å
356C94.7Very high91.8Very high114 Ų11468.5 Ų68.577%0.7735%0.348SS*.Hα-helixtrans-59.2-37.5175.3-690000112.3Y359 F360C356-Y359 PolarHBondContact O-N 3.48Å; C356-F360 PolarHBondContact O-N 2.86Å
357I93.8Very high91Very high55 Ų5576.3 Ų76.328%0.28239%0.386SS..Hα-helixtrans-64-50.7177.8-64.2175.2000110.1V349 N351 S355 Y359 F360 Q361 F374V349-I357 HydrophobicContact CG1-CD1 4.04Å; N351-I357 HydrophobicContact CB-CB 4.46Å; N351-I357 HydrophobicContact CB-CG2 3.92Å; S355-I357 VanDerWaalsContact C-N 3.25Å; S355-I357 PolarHBondContact O-N 2.94Å; I357-Y359 VanDerWaalsContact C-N 3.31Å; I357-Y359 PolarHBondContact O-N 3.35Å; I357-F360 PolarHBondContact O-N 2.86Å; I357-Q361 HydrophobicContact CG2-CG 4.36Å; I357-Q361 WeakPolarHBondContact O-CG 3.19Å; I357-Q361 PolarHBondContact O-N 2.91Å; I357-F374 HydrophobicContact CG2-CD2 3.89Å; I357-F374 HydrophobicContact CG2-CE2 4.03Å
358R94.3Very high90.1Very high5 Ų573 Ų732%0.01938%0.375CS..Hα-helixtrans-63.4-38.4178.5-178.756.266.1132.12.2111.7L306 D307 N351 P352 E353 S355 F360 Q361 N362L306-R358 PolarHBondContact O-NH2 3.22Å; D307-R358 IonicContact OD1-CZ 3.87Å; D307-R358 VanDerWaalsContact OD1-CZ 3.28Å; D307-R358 IonicContact OD1-NH1 2.75Å; D307-R358 PolarHBondContact OD1-NH1 3.38Å; D307-R358 IonicContact OD1-NH2 3.45Å; D307-R358 PolarHBondContact OD1-NH2 3.36Å; N351-R358 PolarHBondContact ND2-NH2 2.88Å; N351-R358 PolarHBondContact O-NE 3.43Å; N351-R358 VanDerWaalsContact O-NE 3.1Å; N351-R358 PolarHBondContact O-NH2 3.09Å; P352-R358 WeakPolarHBondContact O-CB 3.46Å; E353-R358 WeakPolarHBondContact OE1-CD 3.46Å; E353-R358 IonicContact OE1-NE 3.95Å; E353-R358 IonicContact OE1-NH1 3.26Å; S355-R358 PolarHBondContact O-N 3.31Å; S355-R358 WeakPolarHBondContact OG-CB 3.27Å; S355-R358 PolarHBondContact OG-N 2.84Å; S355-R358 VanDerWaalsContact OG-N 3.16Å; R358-F360 PolarHBondContact O-N 3.17Å; R358-Q361 PolarHBondContact O-N 2.59Å; R358-N362 WeakPolarHBondContact CD-OD1 3.29Å; R358-N362 WeakPolarHBondContact O-CB 3.14Å; R358-N362 PolarHBondContact O-N 2.96Å
359Y92.9Very high89.4Confident143 Ų14376.2 Ų76.256%0.56140%0.396SS*.Hα-helixtrans-57.9-48173.6-179.8-97.8000111.8S355 C356 I357 N362 R363S355-Y359 WeakPolarHBondContact O-CB 3.31Å; S355-Y359 PolarHBondContact O-N 3.39Å; C356-Y359 PolarHBondContact O-N 3.48Å; I357-Y359 VanDerWaalsContact C-N 3.31Å; I357-Y359 PolarHBondContact O-N 3.35Å; Y359-N362 PolarHBondContact O-N 2.97Å; Y359-R363 HydrophobicContact CD1-CG 4.38Å; Y359-R363 HydrophobicContact CE1-CG 3.99Å; Y359-R363 HydrophobicContact CE2-CG 4.29Å; Y359-R363 WeakPolarHBondContact O-CB 3.35Å; Y359-R363 VanDerWaalsContact O-CG 3.31Å; Y359-R363 WeakPolarHBondContact O-CG 3.33Å; Y359-R363 PolarHBondContact O-N 2.83Å; Y359-R363 PolarHBondContact OH-NE 3.48Å; Y359-R363 VanDerWaalsContact OH-NE 3.12Å; Y359-R363 PolarHBondContact OH-NH2 2.64Å
360F93.1Very high88.9Confident102 Ų10277.2 Ų77.245%0.44740%0.396SS..Hα-helixtrans-60.3-48.3174.5168.5-97.2000112.1C356 I357 R358 N362 R363 F364 P372 F374C356-F360 PolarHBondContact O-N 2.86Å; I357-F360 PolarHBondContact O-N 2.86Å; R358-F360 PolarHBondContact O-N 3.17Å; F360-N362 VanDerWaalsContact C-N 3.34Å; F360-N362 PolarHBondContact O-N 3.43Å; F360-R363 PolarHBondContact O-N 3.22Å; F360-F364 WeakPolarHBondContact O-CB 3.24Å; F360-F364 PolarHBondContact O-N 2.91Å; F360-P372 HydrophobicContact CE1-CG 4.27Å; F360-F374 HydrophobicContact CD1-CZ 4.32Å; F360-F374 HydrophobicContact CE1-CZ 4.07Å
361Q94.1Very high88.5Confident1 Ų169.7 Ų69.71%0.00537%0.368CS..Hα-helixtrans-60.4-43-179.7-71.7175.7-41.500111.9L306 N351 I357 R358 F364 T365 P372L306-Q361 HydrophobicContact CD1-CB 3.88Å; L306-Q361 HydrophobicContact CD2-CB 4.06Å; L306-Q361 VanDerWaalsContact CD2-CD 3.5Å; L306-Q361 HydrophobicContact CD2-CG 4.08Å; N351-Q361 PolarHBondContact ND2-OE1 2.77Å; I357-Q361 HydrophobicContact CG2-CG 4.36Å; I357-Q361 WeakPolarHBondContact O-CG 3.19Å; I357-Q361 PolarHBondContact O-N 2.91Å; R358-Q361 PolarHBondContact O-N 2.59Å; Q361-F364 PolarHBondContact O-N 2.99Å; Q361-T365 WeakPolarHBondContact O-CB 3.4Å; Q361-T365 PolarHBondContact O-N 3.38Å; Q361-T365 PolarHBondContact O-OG1 2.91Å; Q361-P372 HydrophobicContact CG-CG 4.3Å; Q361-P372 PolarHBondContact NE2-O 3.25Å
362N91.2Very high88.3Confident49 Ų4970.9 Ų70.926%0.26238%0.376SS..Hα-helixtrans-65-47.4177.8-71.4-11.3000111R358 Y359 F360 F364 T365 E366R358-N362 WeakPolarHBondContact CD-OD1 3.29Å; R358-N362 WeakPolarHBondContact O-CB 3.14Å; R358-N362 PolarHBondContact O-N 2.96Å; Y359-N362 PolarHBondContact O-N 2.97Å; F360-N362 VanDerWaalsContact C-N 3.34Å; F360-N362 PolarHBondContact O-N 3.43Å; N362-F364 VanDerWaalsContact C-N 3.34Å; N362-F364 PolarHBondContact O-N 2.96Å; N362-T365 PolarHBondContact O-N 3.38Å; N362-E366 WeakPolarHBondContact O-CG 3.33Å; N362-E366 PolarHBondContact O-N 2.89Å
363R88.6Confident88.2Confident125 Ų12569.8 Ų69.847%0.47237%0.369SS..Hα-helixtrans-58.9-43.4175.5-73.9-61-166.7-178.64.3112.6Y359 F360 E366 M367Y359-R363 HydrophobicContact CD1-CG 4.38Å; Y359-R363 HydrophobicContact CE1-CG 3.99Å; Y359-R363 HydrophobicContact CE2-CG 4.29Å; Y359-R363 WeakPolarHBondContact O-CB 3.35Å; Y359-R363 VanDerWaalsContact O-CG 3.31Å; Y359-R363 WeakPolarHBondContact O-CG 3.33Å; Y359-R363 PolarHBondContact O-N 2.83Å; Y359-R363 PolarHBondContact OH-NE 3.48Å; Y359-R363 VanDerWaalsContact OH-NE 3.12Å; Y359-R363 PolarHBondContact OH-NH2 2.64Å; F360-R363 PolarHBondContact O-N 3.22Å; R363-E366 IonicContact NH1-OE2 2.75Å; R363-E366 PolarHBondContact NH1-OE2 3.44Å; R363-M367 WeakPolarHBondContact O-CG 3.45Å; R363-M367 PolarHBondContact O-N 2.86Å
364F87.6Confident88.2Confident62 Ų6268.1 Ų68.127%0.27236%0.36SS..Hα-helixtrans-63.7-44.5176.1-177.4-83.1000111.3F360 Q361 N362 E366 M367 A368 F370 P372F360-F364 WeakPolarHBondContact O-CB 3.24Å; F360-F364 PolarHBondContact O-N 2.91Å; Q361-F364 PolarHBondContact O-N 2.99Å; N362-F364 VanDerWaalsContact C-N 3.34Å; N362-F364 PolarHBondContact O-N 2.96Å; F364-E366 VanDerWaalsContact C-N 3.33Å; F364-E366 PolarHBondContact O-N 3.27Å; F364-M367 PolarHBondContact O-N 2.84Å; F364-M367 VanDerWaalsContact O-N 3.1Å; F364-A368 HydrophobicContact CD1-CB 3.96Å; F364-A368 HydrophobicContact CE1-CB 3.5Å; F364-A368 VanDerWaalsContact CE1-CB 3.5Å; F364-A368 HydrophobicContact CE2-CB 4.35Å; F364-A368 HydrophobicContact CZ-CB 3.72Å; F364-A368 WeakPolarHBondContact O-CB 3.46Å; F364-A368 PolarHBondContact O-N 3.15Å; F364-F370 WeakPolarHBondContact CD1-O 3.37Å; F364-F370 AromaticContact CE1-CD2 3.76Å; F364-F370 HydrophobicContact CE1-CD2 3.76Å; F364-F370 HydrophobicContact CE1-CE1 4.18Å; F364-F370 AromaticContact CE1-CE2 3.37Å; F364-F370 HydrophobicContact CE1-CE2 3.37Å; F364-F370 HydrophobicContact CE1-CG 4.33Å; F364-F370 AromaticContact CE1-CZ 3.6Å; F364-F370 HydrophobicContact CE1-CZ 3.6Å; F364-F370 WeakPolarHBondContact CE1-O 3.49Å; F364-F370 HydrophobicContact CZ-CD2 4.45Å; F364-F370 HydrophobicContact CZ-CE1 4.27Å; F364-F370 AromaticContact CZ-CE2 3.62Å; F364-F370 HydrophobicContact CZ-CE2 3.62Å; F364-F370 AromaticContact CZ-CZ 3.5Å; F364-F370 HydrophobicContact CZ-CZ 3.5Å; F364-P372 HydrophobicContact CB-CG 4.23Å; F364-P372 HydrophobicContact CD1-CB 4.44Å; F364-P372 HydrophobicContact CD1-CG 3.67Å; F364-P372 HydrophobicContact CE1-CG 4.2Å; F364-P372 HydrophobicContact CG-CG 3.96Å
365T87Confident88.4Confident25 Ų2566.4 Ų66.415%0.15333%0.33CS..Hα-helixtrans-63.9-38.2-179.3-53.90000111.7A302 Q361 N362 M367 T369 F370 S371A302-T365 HydrophobicContact CB-CG2 3.73Å; Q361-T365 WeakPolarHBondContact O-CB 3.4Å; Q361-T365 PolarHBondContact O-N 3.38Å; Q361-T365 PolarHBondContact O-OG1 2.91Å; N362-T365 PolarHBondContact O-N 3.38Å; T365-M367 VanDerWaalsContact C-N 3.28Å; T365-M367 PolarHBondContact O-N 2.88Å; T365-T369 VanDerWaalsContact O-CA 3.25Å; T365-T369 WeakPolarHBondContact O-CA 3.4Å; T365-T369 PolarHBondContact O-N 2.89Å; T365-F370 WeakPolarHBondContact CA-O 3.42Å; T365-S371 WeakPolarHBondContact OG1-CA 3.27Å; T365-S371 WeakPolarHBondContact OG1-CB 3.21Å
366E83.5Confident88.3Confident136 Ų13670.5 Ų70.564%0.63634%0.342SS*.Hα-helixtrans-60.2-37.7173.1-74.3171.8-177.700112.2N362 R363 F364N362-E366 WeakPolarHBondContact O-CG 3.33Å; N362-E366 PolarHBondContact O-N 2.89Å; R363-E366 IonicContact NH1-OE2 2.75Å; R363-E366 PolarHBondContact NH1-OE2 3.44Å; F364-E366 VanDerWaalsContact C-N 3.33Å; F364-E366 PolarHBondContact O-N 3.27Å
367M78.6Confident88.2Confident166 Ų16665.7 Ų65.782%0.81831%0.31SS*.Hα-helixtrans-81.9-43.6-179.1-67.81766300113.4R363 F364 T365R363-M367 WeakPolarHBondContact O-CG 3.45Å; R363-M367 PolarHBondContact O-N 2.86Å; F364-M367 PolarHBondContact O-N 2.84Å; F364-M367 VanDerWaalsContact O-N 3.1Å; T365-M367 VanDerWaalsContact C-N 3.28Å; T365-M367 PolarHBondContact O-N 2.88Å
368A77Confident88Confident20 Ų2071.5 Ų71.517%0.16533%0.329CS..Hα-helixtrans-105.2-6.8-16700000113.8F364 F370F364-A368 HydrophobicContact CD1-CB 3.96Å; F364-A368 HydrophobicContact CE1-CB 3.5Å; F364-A368 VanDerWaalsContact CE1-CB 3.5Å; F364-A368 HydrophobicContact CE2-CB 4.35Å; F364-A368 HydrophobicContact CZ-CB 3.72Å; F364-A368 WeakPolarHBondContact O-CB 3.46Å; F364-A368 PolarHBondContact O-N 3.15Å; A368-F370 HydrophobicContact CB-CD1 3.96Å; A368-F370 HydrophobicContact CB-CE1 3.71Å; A368-F370 HydrophobicContact CB-CZ 4.27Å; A368-F370 WeakPolarHBondContact O-CD1 3.47Å; A368-F370 PolarHBondContact O-N 3.08Å; A368-F370 VanDerWaalsContact O-N 3.08Å
369T77.6Confident87.6Confident81 Ų8179.9 Ų79.950%0.49737%0.366SS..SBendtrans66.4-10-176.968.50000116.8T365T365-T369 VanDerWaalsContact O-CA 3.25Å; T365-T369 WeakPolarHBondContact O-CA 3.4Å; T365-T369 PolarHBondContact O-N 2.89Å
370F83Confident87.3Confident82 Ų8275 Ų7536%0.3635%0.349SS..SBendtrans-114.8151.8170.765.9-88.2000111.3L253 F364 T365 A368L253-F370 HydrophobicContact CD1-CB 3.58Å; F364-F370 WeakPolarHBondContact CD1-O 3.37Å; F364-F370 AromaticContact CE1-CD2 3.76Å; F364-F370 HydrophobicContact CE1-CD2 3.76Å; F364-F370 HydrophobicContact CE1-CE1 4.18Å; F364-F370 AromaticContact CE1-CE2 3.37Å; F364-F370 HydrophobicContact CE1-CE2 3.37Å; F364-F370 HydrophobicContact CE1-CG 4.33Å; F364-F370 AromaticContact CE1-CZ 3.6Å; F364-F370 HydrophobicContact CE1-CZ 3.6Å; F364-F370 WeakPolarHBondContact CE1-O 3.49Å; F364-F370 HydrophobicContact CZ-CD2 4.45Å; F364-F370 HydrophobicContact CZ-CE1 4.27Å; F364-F370 AromaticContact CZ-CE2 3.62Å; F364-F370 HydrophobicContact CZ-CE2 3.62Å; F364-F370 AromaticContact CZ-CZ 3.5Å; F364-F370 HydrophobicContact CZ-CZ 3.5Å; T365-F370 WeakPolarHBondContact CA-O 3.42Å; A368-F370 HydrophobicContact CB-CD1 3.96Å; A368-F370 HydrophobicContact CB-CE1 3.71Å; A368-F370 HydrophobicContact CB-CZ 4.27Å; A368-F370 WeakPolarHBondContact O-CD1 3.47Å; A368-F370 PolarHBondContact O-N 3.08Å; A368-F370 VanDerWaalsContact O-N 3.08Å
371S83.4Confident87.3Confident15 Ų1571.6 Ų71.611%0.10534%0.335CS..  trans-93.1145.1176.955.50000111.8A302 T365 P373A302-S371 WeakPolarHBondContact CA-OG 3.43Å; A302-S371 WeakPolarHBondContact O-CB 3.18Å; A302-S371 PolarHBondContact O-OG 3.37Å; T365-S371 WeakPolarHBondContact OG1-CA 3.27Å; T365-S371 WeakPolarHBondContact OG1-CB 3.21Å; S371-P373 WeakPolarHBondContact O-CD 3.48Å
372P87.5Confident87.3Confident26 Ų2671.6 Ų71.617%0.16934%0.335CS..  trans-102.381.4172.735.2-26.3000110F360 Q361 F364 F374F360-P372 HydrophobicContact CE1-CG 4.27Å; Q361-P372 HydrophobicContact CG-CG 4.3Å; Q361-P372 PolarHBondContact NE2-O 3.25Å; F364-P372 HydrophobicContact CB-CG 4.23Å; F364-P372 HydrophobicContact CD1-CB 4.44Å; F364-P372 HydrophobicContact CD1-CG 3.67Å; F364-P372 HydrophobicContact CE1-CG 4.2Å; F364-P372 HydrophobicContact CG-CG 3.96Å; P372-F374 PolarHBondContact O-N 3.5Å
373P89.3Confident87.6Confident20 Ų2072.1 Ų72.113%0.1333%0.334CS..  trans-62.2131.9172.424.6-30.6000109.6I223 L306 Q348 S371 F375I223-P373 HydrophobicContact CD1-CB 3.91Å; I223-P373 HydrophobicContact CD1-CG 4.1Å; I223-P373 HydrophobicContact CG2-CG 4.09Å; L306-P373 HydrophobicContact CD2-CB 4.27Å; Q348-P373 HydrophobicContact CG-CB 4.46Å; S371-P373 WeakPolarHBondContact O-CD 3.48Å; P373-F375 VanDerWaalsContact C-N 3.32Å; P373-F375 HydrophobicContact CB-CD1 4.25Å; P373-F375 HydrophobicContact CG-CD1 3.98Å; P373-F375 VanDerWaalsContact O-CD1 3.25Å; P373-F375 WeakPolarHBondContact O-CD1 3.42Å; P373-F375 PolarHBondContact O-N 2.94Å; P373-F375 VanDerWaalsContact O-N 3.15Å
374F91.5Very high87.9Confident94 Ų9471.6 Ų71.641%0.41233%0.332SS..  trans-85.482.3168.7-64.5-28.5000108.4Q348 V349 I357 F360 P372Q348-F374 WeakPolarHBondContact CG-O 3.48Å; V349-F374 HydrophobicContact CB-CB 4.06Å; V349-F374 HydrophobicContact CG2-CB 3.98Å; V349-F374 WeakPolarHBondContact CG2-O 3.49Å; V349-F374 PolarHBondContact N-O 3.27Å; I357-F374 HydrophobicContact CG2-CD2 3.89Å; I357-F374 HydrophobicContact CG2-CE2 4.03Å; F360-F374 HydrophobicContact CD1-CZ 4.32Å; F360-F374 HydrophobicContact CE1-CZ 4.07Å; P372-F374 PolarHBondContact O-N 3.5Å
375F92.5Very high88.2Confident45 Ų4569.9 Ų69.920%0.19733%0.327CS..EExtended strand (participates in β ladder)trans-99.5158.9-177.767.2-89.9000112.2L36 I223 F224 F346 K347 P373L36-F375 HydrophobicContact CD1-CZ 4.2Å; L36-F375 HydrophobicContact CD2-CE1 4.44Å; L36-F375 HydrophobicContact CD2-CZ 4.13Å; I223-F375 HydrophobicContact CD1-CB 4.37Å; I223-F375 HydrophobicContact CG1-CB 4.44Å; I223-F375 HydrophobicContact CG2-CD1 3.77Å; I223-F375 HydrophobicContact CG2-CE1 4.08Å; I223-F375 HydrophobicContact CG2-CG 4.1Å; F224-F375 HydrophobicContact CE2-CE2 4.05Å; F224-F375 AromaticContact CE2-CZ 3.96Å; F224-F375 HydrophobicContact CE2-CZ 3.96Å; F224-F375 AromaticContact CZ-CE1 3.94Å; F224-F375 HydrophobicContact CZ-CE1 3.94Å; F224-F375 HydrophobicContact CZ-CE2 4.05Å; F224-F375 AromaticContact CZ-CZ 3.48Å; F224-F375 HydrophobicContact CZ-CZ 3.48Å; F224-F375 VanDerWaalsContact CZ-CZ 3.48Å; F346-F375 HydrophobicContact CB-CB 4.29Å; F346-F375 AromaticContact CD1-CD2 3.58Å; F346-F375 HydrophobicContact CD1-CD2 3.58Å; F346-F375 HydrophobicContact CD1-CE2 4.1Å; F346-F375 HydrophobicContact CD1-CG 4.46Å; F346-F375 AromaticContact CE1-CD2 3.99Å; F346-F375 HydrophobicContact CE1-CD2 3.99Å; F346-F375 HydrophobicContact CE1-CE2 4.03Å; F346-F375 HydrophobicContact CG-CD2 4.22Å; K347-F375 CarbonylContact O-C 3.54Å; K347-F375 WeakPolarHBondContact O-CA 3.31Å; K347-F375 WeakPolarHBondContact O-CB 3.32Å; P373-F375 VanDerWaalsContact C-N 3.32Å; P373-F375 HydrophobicContact CB-CD1 4.25Å; P373-F375 HydrophobicContact CG-CD1 3.98Å; P373-F375 VanDerWaalsContact O-CD1 3.25Å; P373-F375 WeakPolarHBondContact O-CD1 3.42Å; P373-F375 PolarHBondContact O-N 2.94Å; P373-F375 VanDerWaalsContact O-N 3.15Å
376Y92.4Very high88.7Confident115 Ų11573.2 Ų73.245%0.45134%0.344SS..EExtended strand (participates in β ladder)trans-150.215117563.5-81.9000110.9K347 V349K347-Y376 HydrophobicContact CB-CD1 4.17Å; K347-Y376 HydrophobicContact CB-CD2 4.14Å; K347-Y376 HydrophobicContact CB-CE1 3.7Å; K347-Y376 HydrophobicContact CB-CE2 3.7Å; K347-Y376 HydrophobicContact CB-CG 4.36Å; K347-Y376 VanDerWaalsContact CB-CZ 3.45Å; K347-Y376 HydrophobicContact CD-CE2 3.79Å; K347-Y376 HydrophobicContact CG-CE2 4.36Å; K347-Y376 PolarHBondContact N-O 3.46Å; K347-Y376 PolarHBondContact O-N 2.88Å; V349-Y376 HydrophobicContact CG2-CD1 4.39Å; V349-Y376 HydrophobicContact CG2-CE1 4.45Å
377A93.1Very high89.4Confident13 Ų1366.8 Ų66.811%0.10731%0.313CS..SBendtrans-139.1-126.3170.800000109.2F346 F379 L381 Y383F346-A377 HydrophobicContact CD1-CB 4.08Å; A377-F379 VanDerWaalsContact C-N 3.33Å; A377-F379 PolarHBondContact N-O 3.28Å; A377-F379 PolarHBondContact O-N 3.2Å; A377-L381 WeakPolarHBondContact CB-O 3.34Å; A377-Y383 HydrophobicContact CB-CD2 3.99Å; A377-Y383 HydrophobicContact CB-CE2 3.83Å; A377-Y383 HydrophobicContact CB-CG 4.47Å
378R89.9Confident90.2Very high176 Ų17659.2 Ų59.266%0.66428%0.276SS*.BIsolated β-bridgetrans-88.177.1166.6-64.3-178.8-176.6177.81.9108.1L380 L381 Y383R378-L380 PolarHBondContact O-N 3.39Å; R378-L381 HydrophobicContact CB-CB 4.44Å; R378-L381 PolarHBondContact N-O 3.49Å; R378-L381 WeakPolarHBondContact O-CB 3.36Å; R378-L381 PolarHBondContact O-N 2.99Å; R378-Y383 HydrophobicContact CG-CD1 4.35Å; R378-Y383 HydrophobicContact CG-CE1 3.94Å
379F86.4Confident91.2Very high181 Ų18158.2 Ų58.279%0.79427%0.268SS*.THydrogen-bonded Turntrans60.8-125.4-162.4-174.3-120.8000109.9A377 L381A377-F379 VanDerWaalsContact C-N 3.33Å; A377-F379 PolarHBondContact N-O 3.28Å; A377-F379 PolarHBondContact O-N 3.2Å; F379-L381 VanDerWaalsContact C-N 3.35Å
380L85.2Confident92.2Very high41 Ų4154.4 Ų54.422%0.21525%0.245CC..THydrogen-bonded Turntrans-82.3-10.1175.7-65.1176.9000113.6L36 R378 P382L36-L380 HydrophobicContact CD1-CD2 4.04Å; R378-L380 PolarHBondContact O-N 3.39Å; L380-P382 VanDerWaalsContact O-CD 3.31Å; L380-P382 WeakPolarHBondContact O-CD 3.26Å
381L93.3Very high92.9Very high31 Ų3150.5 Ų50.516%0.16223%0.228CC..BIsolated β-bridgetrans-81.5114.8-179.3-174.865.8000109.7I25 V28 Y134 A377 R378 F379I25-L381 HydrophobicContact CG1-CD2 4.31Å; I25-L381 HydrophobicContact CG2-CD1 4.18Å; I25-L381 HydrophobicContact CG2-CD2 4.17Å; V28-L381 HydrophobicContact CB-CD1 4.41Å; V28-L381 HydrophobicContact CG1-CD1 4.1Å; Y134-L381 HydrophobicContact CE2-CD1 4.13Å; Y134-L381 WeakPolarHBondContact OH-CG 3.46Å; A377-L381 WeakPolarHBondContact CB-O 3.34Å; R378-L381 HydrophobicContact CB-CB 4.44Å; R378-L381 PolarHBondContact N-O 3.49Å; R378-L381 WeakPolarHBondContact O-CB 3.36Å; R378-L381 PolarHBondContact O-N 2.99Å; F379-L381 VanDerWaalsContact C-N 3.35Å
382P95.1Very high93.6Very high0 Ų049.9 Ų49.90%022%0.224CC..PPolyproline II helixtrans-66.5158-178-14.730.9000111.4V28 I32 Y134 F135 M345 F346 L380 R384V28-P382 VanDerWaalsContact CG1-CD 3.5Å; V28-P382 HydrophobicContact CG1-CG 3.92Å; I32-P382 HydrophobicContact CD1-CG 4.02Å; I32-P382 HydrophobicContact CG1-CG 3.95Å; Y134-P382 PolarHBondContact OH-O 3.45Å; F135-P382 HydrophobicContact CE1-CB 3.88Å; F135-P382 HydrophobicContact CZ-CB 3.72Å; F135-P382 HydrophobicContact CZ-CG 3.88Å; M345-P382 HydrophobicContact CB-CB 4.17Å; F346-P382 HydrophobicContact CD1-CB 4.22Å; F346-P382 HydrophobicContact CE1-CB 3.56Å; F346-P382 HydrophobicContact CE1-CG 3.51Å; F346-P382 HydrophobicContact CE2-CB 4Å; F346-P382 HydrophobicContact CE2-CG 4.19Å; F346-P382 HydrophobicContact CZ-CB 3.44Å; F346-P382 VanDerWaalsContact CZ-CB 3.44Å; F346-P382 HydrophobicContact CZ-CG 3.26Å; L380-P382 VanDerWaalsContact O-CD 3.31Å; L380-P382 WeakPolarHBondContact O-CD 3.26Å; P382-R384 PolarHBondContact O-N 2.89Å
383Y96.4Very high93.9Very high60 Ų6054.6 Ų54.624%0.23524%0.238CC..PPolyproline II helixtrans-69.1132.3174.8-61.7-67.5000110.4F135 M345 K347 A377 R378 T385F135-Y383 WeakPolarHBondContact CE1-O 3.41Å; M345-Y383 WeakPolarHBondContact O-CD2 3.46Å; M345-Y383 PolarHBondContact O-N 2.95Å; K347-Y383 HydrophobicContact CD-CE2 4.17Å; K347-Y383 HydrophobicContact CG-CE2 4.03Å; A377-Y383 HydrophobicContact CB-CD2 3.99Å; A377-Y383 HydrophobicContact CB-CE2 3.83Å; A377-Y383 HydrophobicContact CB-CG 4.47Å; R378-Y383 HydrophobicContact CG-CD1 4.35Å; R378-Y383 HydrophobicContact CG-CE1 3.94Å; Y383-T385 PolarHBondContact O-N 3.27Å
384R95.3Very high94.4Very high115 Ų11554.1 Ų54.143%0.43424%0.235SC..PPolyproline II helixtrans-58.3123.1168.9-69.5-178.7176.1-110.6-0.2108.7Q24 Y134 P382Q24-R384 VanDerWaalsContact OE1-CZ 3.27Å; Y134-R384 HydrophobicContact CD1-CG 3.9Å; Y134-R384 HydrophobicContact CD2-CG 4.21Å; Y134-R384 HydrophobicContact CE1-CB 4.3Å; Y134-R384 HydrophobicContact CE1-CG 3.43Å; Y134-R384 VanDerWaalsContact CE1-CG 3.43Å; Y134-R384 HydrophobicContact CE2-CG 3.8Å; Y134-R384 HydrophobicContact CG-CG 4.27Å; P382-R384 PolarHBondContact O-N 2.89Å
385T94.7Very high94.7Very high26 Ų2650.1 Ų50.116%0.1622%0.218CC..  trans-150.1145.7178.4-166.10000107.8F135 G341 N344 M345 Y383 V387F135-T385 VanDerWaalsContact CA-O 3.31Å; F135-T385 WeakPolarHBondContact CA-O 3.21Å; F135-T385 WeakPolarHBondContact CB-O 3.26Å; F135-T385 HydrophobicContact CD1-CG2 4.31Å; G341-T385 WeakPolarHBondContact O-CG2 3.47Å; N344-T385 HydrophobicContact CB-CG2 4.13Å; N344-T385 WeakPolarHBondContact CB-OG1 3.48Å; M345-T385 HydrophobicContact CB-CG2 4.43Å; M345-T385 HydrophobicContact CG-CG2 3.52Å; Y383-T385 PolarHBondContact O-N 3.27Å; T385-V387 HydrophobicContact CG2-CG2 4.19Å
386D96.7Very high94.9Very high95 Ų9552.7 Ų52.751%0.50824%0.239SC..  trans-70.6136.5174.7-69-6.8000109P136 G341P136-D386 WeakPolarHBondContact CB-OD1 3.43Å; P136-D386 WeakPolarHBondContact CD-OD1 3.38Å; P136-D386 WeakPolarHBondContact CG-OD1 3.31Å; G341-D386 WeakPolarHBondContact CA-O 3.21Å
387V97.8Very high95.2Very high0 Ų047.6 Ų47.60%022%0.22CC..EExtended strand (participates in β ladder)trans-123.9106.8-177.5-178.10000108.9F135 P136 I137 K138 S339 F340 E342 M345 T385F135-V387 HydrophobicContact CB-CG2 3.84Å; P136-V387 PolarHBondContact O-N 3.36Å; I137-V387 CarbonylContact C-O 3.55Å; I137-V387 WeakPolarHBondContact CA-O 3.46Å; I137-V387 HydrophobicContact CB-CB 4.43Å; I137-V387 HydrophobicContact CG1-CB 4.02Å; I137-V387 HydrophobicContact CG1-CG2 4.42Å; I137-V387 HydrophobicContact CG2-CB 4.39Å; I137-V387 HydrophobicContact CG2-CG1 4.35Å; K138-V387 PolarHBondContact N-O 3.04Å; S339-V387 WeakPolarHBondContact OG-CG1 3.24Å; F340-V387 CarbonylContact O-C 3.05Å; F340-V387 VanDerWaalsContact O-CA 3.26Å; F340-V387 WeakPolarHBondContact O-CA 3.33Å; E342-V387 VanDerWaalsContact OE2-CG1 3.28Å; E342-V387 WeakPolarHBondContact OE2-CG1 3.38Å; M345-V387 HydrophobicContact CE-CB 4.36Å; M345-V387 HydrophobicContact CE-CG1 4.32Å; M345-V387 HydrophobicContact CE-CG2 3.18Å; T385-V387 HydrophobicContact CG2-CG2 4.19Å
388N97.3Very high95.3Very high7 Ų755.1 Ų55.14%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-115102.5-173.8-61.8-82.3000108.6F340 Y430F340-N388 HydrophobicContact CB-CB 4.48Å; F340-N388 PolarHBondContact N-O 2.91Å; F340-N388 PolarHBondContact O-N 3.28Å; N388-Y430 HydrophobicContact CB-CD1 3.66Å; N388-Y430 HydrophobicContact CB-CD2 3.82Å; N388-Y430 HydrophobicContact CB-CE1 3.83Å; N388-Y430 HydrophobicContact CB-CE2 3.99Å; N388-Y430 HydrophobicContact CB-CG 3.67Å; N388-Y430 WeakPolarHBondContact ND2-CD1 3.34Å
389T98.1Very high95.6Very high0 Ų051.3 Ų51.30%024%0.242CC..EExtended strand (participates in β ladder)trans-87.9111.2175.8-59.90000109.2K138 L139 V140 Y218 N231 F232 C337 V338 S339K138-T389 PolarHBondContact O-N 3.13Å; L139-T389 HydrophobicContact CD1-CG2 3.96Å; V140-T389 PolarHBondContact N-O 2.95Å; Y218-T389 HydrophobicContact CD2-CG2 4.28Å; Y218-T389 HydrophobicContact CE2-CG2 3.68Å; N231-T389 WeakPolarHBondContact ND2-CB 3.36Å; N231-T389 PolarHBondContact ND2-OG1 2.93Å; F232-T389 HydrophobicContact CE2-CG2 4.43Å; F232-T389 HydrophobicContact CZ-CG2 4.14Å; C337-T389 WeakPolarHBondContact SG-CG2 3.36Å; V338-T389 CarbonylContact O-C 3.55Å; V338-T389 WeakPolarHBondContact O-CA 3.01Å; S339-T389 PolarHBondContact OG-OG1 3.37Å
390V97.8Very high96.2Very high0 Ų044.9 Ų44.90%022%0.215CC..EExtended strand (participates in β ladder)trans-99.3118177.5-168.90000109.4V140 C337 V338 F340 L422 Y426 Y430V140-V390 HydrophobicContact CB-CG2 4.35Å; V140-V390 HydrophobicContact CG1-CG1 4.49Å; V140-V390 CarbonylContact O-C 3.49Å; V140-V390 WeakPolarHBondContact O-CA 3.39Å; C337-V390 WeakPolarHBondContact CA-O 3.46Å; V338-V390 PolarHBondContact N-O 3.28Å; V338-V390 PolarHBondContact O-N 2.9Å; F340-V390 HydrophobicContact CD2-CG2 4.07Å; F340-V390 HydrophobicContact CE2-CG2 3.97Å; V390-L422 HydrophobicContact CG1-CD1 3.81Å; V390-L422 HydrophobicContact CG1-CG 4.42Å; V390-Y426 HydrophobicContact CB-CD2 4.49Å; V390-Y426 HydrophobicContact CG1-CD1 4.42Å; V390-Y426 HydrophobicContact CG1-CD2 3.76Å; V390-Y426 HydrophobicContact CG1-CE1 4.33Å; V390-Y426 HydrophobicContact CG1-CE2 3.66Å; V390-Y426 HydrophobicContact CG1-CG 4.16Å; V390-Y426 HydrophobicContact CG2-CD1 4.15Å; V390-Y426 HydrophobicContact CG2-CD2 4.39Å; V390-Y426 HydrophobicContact CG2-CG 4Å; V390-Y430 HydrophobicContact CG2-CD2 4.11Å; V390-Y430 HydrophobicContact CG2-CE2 3.73Å
391I97.9Very high96.7Very high0 Ų046.5 Ų46.50%023%0.229CC..EExtended strand (participates in β ladder)trans-88.5121.9172.7-60.5175000108L139 V140 S142 F208 F232 F243 F294 V335L139-I391 HydrophobicContact CD1-CD1 3.58Å; L139-I391 HydrophobicContact CD1-CG1 3.95Å; L139-I391 HydrophobicContact CD2-CD1 4.3Å; L139-I391 HydrophobicContact CG-CD1 4.07Å; V140-I391 PolarHBondContact O-N 3.38Å; S142-I391 WeakPolarHBondContact CB-O 3.36Å; S142-I391 PolarHBondContact N-O 2.79Å; S142-I391 PolarHBondContact OG-O 3.31Å; F208-I391 HydrophobicContact CE1-CG2 4.32Å; F208-I391 HydrophobicContact CZ-CG2 3.71Å; F232-I391 HydrophobicContact CE1-CD1 4.19Å; F243-I391 HydrophobicContact CE2-CD1 3.86Å; F243-I391 HydrophobicContact CZ-CD1 3.51Å; F294-I391 HydrophobicContact CZ-CD1 4.08Å; F294-I391 HydrophobicContact CZ-CG2 4.2Å; V335-I391 HydrophobicContact CG1-CG2 3.58Å
392G97.1Very high96.9Very high2 Ų251.7 Ų51.72%0.02126%0.256CS..  trans-79.617517400000113.3V335 P336V335-G392 WeakPolarHBondContact CG1-O 3.22Å; P336-G392 WeakPolarHBondContact O-CA 3.36Å; P336-G392 PolarHBondContact O-N 3.46Å
393R95.2Very high97Very high125 Ų12552.3 Ų52.347%0.47226%0.26SS..  trans-63.6140.3174.4173.7177.866166.8-0.6111.4L207 E418L207-R393 HydrophobicContact CD1-CB 4.48Å; L207-R393 HydrophobicContact CD1-CG 3.92Å; R393-E418 IonicContact CZ-OE2 3.75Å; R393-E418 IonicContact NE-OE2 3.76Å; R393-E418 IonicContact NH2-OE2 2.86Å; R393-E418 PolarHBondContact NH2-OE2 2.85Å
394P97.9Very high97.1Very high11 Ų1152.5 Ų52.57%0.07127%0.268CS..  trans-62.5136.3170.3-25.737.8000112.8L207 F208 Y214 H333 L334 V335 P396L207-P394 HydrophobicContact CG-CG 4.47Å; L207-P394 WeakPolarHBondContact O-CG 3.48Å; F208-P394 HydrophobicContact CD1-CG 3.71Å; F208-P394 HydrophobicContact CE1-CG 3.32Å; F208-P394 HydrophobicContact CE2-CG 4.42Å; F208-P394 HydrophobicContact CG-CG 4.4Å; F208-P394 HydrophobicContact CZ-CG 3.72Å; Y214-P394 HydrophobicContact CD1-CB 4.28Å; Y214-P394 HydrophobicContact CD1-CG 4.2Å; Y214-P394 HydrophobicContact CE1-CB 4.16Å; Y214-P394 HydrophobicContact CE1-CG 3.96Å; H333-P394 HydrophobicContact CB-CB 4.09Å; L334-P394 CarbonylContact O-C 3.54Å; L334-P394 WeakPolarHBondContact O-CA 3.28Å; V335-P394 HydrophobicContact CG2-CB 4.19Å; V335-P394 HydrophobicContact CG2-CG 4.15Å; P394-P396 WeakPolarHBondContact O-CD 3.47Å
395I98.3Very high97.2Very high9 Ų956.1 Ų56.15%0.04628%0.282CS..BIsolated β-bridgetrans-96.4109.5171.7-57.4170000107H333 L334 C397 L411 L414 Y415 E418H333-I395 WeakPolarHBondContact CA-O 3.31Å; L334-I395 HydrophobicContact CB-CB 4.22Å; L334-I395 PolarHBondContact N-O 2.71Å; L334-I395 PolarHBondContact O-N 2.83Å; I395-C397 PolarHBondContact O-N 2.84Å; I395-C397 PolarHBondContact O-SG 3.39Å; I395-L411 HydrophobicContact CG2-CD1 3.99Å; I395-L414 HydrophobicContact CD1-CG 4.49Å; I395-L414 HydrophobicContact CG2-CD2 3.68Å; I395-L414 HydrophobicContact CG2-CG 4.28Å; I395-Y415 HydrophobicContact CD1-CD2 4.11Å; I395-E418 HydrophobicContact CD1-CB 4.18Å; I395-E418 HydrophobicContact CD1-CG 4.03Å; I395-E418 HydrophobicContact CG1-CG 4.38Å
396P98Very high97.3Very high99 Ų9960.9 Ų60.964%0.64330%0.302SS*.  trans-59.4135.7-179.7-24.635.5000111.5P394P394-P396 WeakPolarHBondContact O-CD 3.47Å
397C97.6Very high97.4Very high9 Ų960.6 Ų60.66%0.06130%0.298CS..  trans-124.1122.6177.6-66.80000108.8L328 G331 S332 H333 I395L328-C397 HydrophobicContact CD2-CB 4.39Å; G331-C397 CarbonylContact C-O 3.57Å; S332-C397 VanDerWaalsContact O-CB 3.3Å; S332-C397 WeakPolarHBondContact O-CB 3.45Å; S332-C397 PolarHBondContact O-SG 2.93Å; H333-C397 PolarHBondContact ND1-N 3.45Å; I395-C397 PolarHBondContact O-N 2.84Å; I395-C397 PolarHBondContact O-SG 3.39Å
398E95.7Very high97.4Very high171 Ų17160.6 Ų60.680%0.79930%0.298SS*.  trans-78.9134.7173-170.5177.7176.900110N400E398-N400 PolarHBondContact O-N 2.94Å; E398-N400 VanDerWaalsContact O-N 3.13Å
399K97.1Very high97.4Very high96 Ų9663.2 Ų63.242%0.41732%0.316SS..  trans-66.3113.2-178.6-171.9172.1-178.5170.90110.2D284 L328 M329D284-K399 IonicContact OD1-NZ 2.67Å; L328-K399 CarbonylContact O-C 3.43Å; L328-K399 WeakPolarHBondContact O-CA 3.36Å; M329-K399 WeakPolarHBondContact O-CE 3.37Å; M329-K399 WeakPolarHBondContact O-CG 3.16Å
400N97.8Very high97.4Very high45 Ų4568.1 Ų68.124%0.24135%0.346CS..  trans-127.2108.2170.5-178.9-3.8000109.1L328 M329 E398 N402 P403 Q407L328-N400 CarbonylContact C-O 3.58Å; L328-N400 PolarHBondContact O-N 3.19Å; M329-N400 WeakPolarHBondContact CA-O 3.39Å; E398-N400 PolarHBondContact O-N 2.94Å; E398-N400 VanDerWaalsContact O-N 3.13Å; N400-N402 PolarHBondContact O-N 2.95Å; N400-N402 VanDerWaalsContact OD1-C 3.28Å; N400-N402 PolarHBondContact OD1-N 3.3Å; N400-N402 PolarHBondContact OD1-O 3.47Å; N400-P403 HydrophobicContact CB-CB 4.44Å; N400-P403 WeakPolarHBondContact ND2-CA 3.46Å; N400-P403 VanDerWaalsContact O-CD 3.24Å; N400-P403 WeakPolarHBondContact O-CD 2.97Å; N400-Q407 PolarHBondContact ND2-OE1 3.44Å
401P95.8Very high97.4Very high76 Ų7668.8 Ų68.849%0.49435%0.35SS..SBendtrans-60.1-25.1179.1-24.634.3000114.4
402N97.5Very high97.3Very high139 Ų13970.2 Ų70.274%0.74336%0.356SS*.SBendtrans-128.865.5-178.1-62.6-57.6000110.8N400N400-N402 PolarHBondContact O-N 2.95Å; N400-N402 VanDerWaalsContact OD1-C 3.28Å; N400-N402 PolarHBondContact OD1-N 3.3Å; N400-N402 PolarHBondContact OD1-O 3.47Å
403P97.6Very high97.3Very high13 Ų1375.3 Ų75.38%0.08438%0.379CS..  trans-70137.1-17728-26.6000111.1K325 L328 M329 N400 I408K325-P403 HydrophobicContact CG-CG 4.12Å; L328-P403 HydrophobicContact CB-CB 3.84Å; L328-P403 HydrophobicContact CB-CG 3.92Å; L328-P403 HydrophobicContact CD1-CB 3.67Å; L328-P403 HydrophobicContact CD1-CG 4.39Å; L328-P403 HydrophobicContact CG-CB 4.4Å; M329-P403 HydrophobicContact CG-CG 4.07Å; N400-P403 HydrophobicContact CB-CB 4.44Å; N400-P403 WeakPolarHBondContact ND2-CA 3.46Å; N400-P403 VanDerWaalsContact O-CD 3.24Å; N400-P403 WeakPolarHBondContact O-CD 2.97Å; P403-I408 HydrophobicContact CB-CD1 4.18Å; P403-I408 HydrophobicContact CB-CG1 4.08Å; P403-I408 HydrophobicContact CG-CD1 4.05Å; P403-I408 HydrophobicContact CG-CG1 4.31Å
404T97.9Very high97.5Very high65 Ų6572.9 Ų72.940%0.39938%0.375SS..  trans-73.8162.417982.30000111E406 Q407 I408T404-E406 WeakPolarHBondContact CB-OE2 3.26Å; T404-E406 PolarHBondContact O-N 3.41Å; T404-E406 PolarHBondContact OG1-N 2.91Å; T404-E406 PolarHBondContact OG1-OE2 3.19Å; T404-Q407 PolarHBondContact O-N 2.81Å; T404-Q407 PolarHBondContact OG1-N 3.32Å; T404-I408 WeakPolarHBondContact O-CD1 3.46Å; T404-I408 WeakPolarHBondContact O-CG1 3.37Å; T404-I408 PolarHBondContact O-N 3.19Å; T404-I408 VanDerWaalsContact O-N 3.1Å
405R97.2Very high97.5Very high190 Ų19072.3 Ų72.372%0.71737%0.372SS*.Hα-helixtrans-60.3-35.5177-77.3-175.3174.4-175.20.5111.6Y321 I408 S409Y321-R405 WeakPolarHBondContact OH-CG 3.19Å; R405-I408 PolarHBondContact O-N 3.03Å; R405-S409 WeakPolarHBondContact O-CB 3.39Å; R405-S409 PolarHBondContact O-N 3.01Å
406E97.6Very high97.4Very high127 Ų12772.6 Ų72.659%0.59337%0.373SS*.Hα-helixtrans-66.5-48.6179-58.469.5-148.400110.5T404 I408 S409 V410T404-E406 WeakPolarHBondContact CB-OE2 3.26Å; T404-E406 PolarHBondContact O-N 3.41Å; T404-E406 PolarHBondContact OG1-N 2.91Å; T404-E406 PolarHBondContact OG1-OE2 3.19Å; E406-I408 VanDerWaalsContact C-N 3.29Å; E406-I408 PolarHBondContact O-N 3.4Å; E406-S409 PolarHBondContact O-N 2.88Å; E406-S409 VanDerWaalsContact O-N 3.15Å; E406-V410 WeakPolarHBondContact O-CG2 3.27Å; E406-V410 PolarHBondContact O-N 2.86Å
407Q97.8Very high97.4Very high88 Ų8873.1 Ų73.141%0.41137%0.367SS..Hα-helixtrans-58-42.7176.2-70.8176.6-42.300111.8L328 N400 T404 V410 L411L328-Q407 HydrophobicContact CD1-CB 4.27Å; N400-Q407 PolarHBondContact ND2-OE1 3.44Å; T404-Q407 PolarHBondContact O-N 2.81Å; T404-Q407 PolarHBondContact OG1-N 3.32Å; Q407-V410 PolarHBondContact O-N 3.39Å; Q407-L411 WeakPolarHBondContact O-CB 3.43Å; Q407-L411 PolarHBondContact O-N 2.94Å
408I98Very high97.4Very high1 Ų174.6 Ų74.61%0.00537%0.373CS..Hα-helixtrans-67-40.5178-66.6160.7000111.2Y321 F324 K325 L328 P403 T404 R405 E406 L411 K412Y321-I408 HydrophobicContact CD2-CG2 3.58Å; Y321-I408 HydrophobicContact CE1-CD1 4.01Å; Y321-I408 HydrophobicContact CE2-CB 3.87Å; Y321-I408 HydrophobicContact CE2-CD1 3.83Å; Y321-I408 HydrophobicContact CE2-CG1 4.46Å; Y321-I408 HydrophobicContact CE2-CG2 3.41Å; Y321-I408 VanDerWaalsContact CE2-CG2 3.41Å; Y321-I408 HydrophobicContact CG-CG2 4.35Å; Y321-I408 WeakPolarHBondContact OH-CD1 3.36Å; F324-I408 HydrophobicContact CB-CG2 3.82Å; K325-I408 HydrophobicContact CB-CD1 3.85Å; K325-I408 HydrophobicContact CB-CG1 4.4Å; K325-I408 HydrophobicContact CD-CD1 4.47Å; K325-I408 HydrophobicContact CG-CD1 3.89Å; L328-I408 HydrophobicContact CD1-CG1 3.79Å; P403-I408 HydrophobicContact CB-CD1 4.18Å; P403-I408 HydrophobicContact CB-CG1 4.08Å; P403-I408 HydrophobicContact CG-CD1 4.05Å; P403-I408 HydrophobicContact CG-CG1 4.31Å; T404-I408 WeakPolarHBondContact O-CD1 3.46Å; T404-I408 WeakPolarHBondContact O-CG1 3.37Å; T404-I408 PolarHBondContact O-N 3.19Å; T404-I408 VanDerWaalsContact O-N 3.1Å; R405-I408 PolarHBondContact O-N 3.03Å; E406-I408 VanDerWaalsContact C-N 3.29Å; E406-I408 PolarHBondContact O-N 3.4Å; I408-L411 PolarHBondContact O-N 3.34Å; I408-K412 VanDerWaalsContact O-CB 3.29Å; I408-K412 WeakPolarHBondContact O-CB 3.3Å; I408-K412 PolarHBondContact O-N 2.96Å
409S97.1Very high97.5Very high61 Ų6166.5 Ų66.543%0.42734%0.335SS..Hα-helixtrans-64.1-45.2177.2-1640000111.4R405 E406 L411 K412 E413R405-S409 WeakPolarHBondContact O-CB 3.39Å; R405-S409 PolarHBondContact O-N 3.01Å; E406-S409 PolarHBondContact O-N 2.88Å; E406-S409 VanDerWaalsContact O-N 3.15Å; S409-L411 PolarHBondContact O-N 3.34Å; S409-K412 PolarHBondContact O-N 3.34Å; S409-E413 WeakPolarHBondContact O-CG 3.49Å; S409-E413 PolarHBondContact O-N 3.36Å
410V97.7Very high97.5Very high103 Ų10367.7 Ų67.762%0.62434%0.337SS*.Hα-helixtrans-60.4-46.7177.21710000110.8E406 Q407 K412 E413 L414E406-V410 WeakPolarHBondContact O-CG2 3.27Å; E406-V410 PolarHBondContact O-N 2.86Å; Q407-V410 PolarHBondContact O-N 3.39Å; V410-K412 VanDerWaalsContact C-N 3.34Å; V410-K412 PolarHBondContact O-N 3.47Å; V410-E413 PolarHBondContact O-N 3.36Å; V410-L414 PolarHBondContact O-N 3.5Å
411L98Very high97.5Very high14 Ų1469.3 Ų69.37%0.07335%0.345CS..Hα-helixtrans-63.1-40.8177.1-178.863.5000112.1A327 L328 L334 I395 Q407 I408 S409 L414 Y415A327-L411 HydrophobicContact CB-CD2 4.48Å; L328-L411 HydrophobicContact CD1-CD2 4.02Å; L328-L411 HydrophobicContact CD2-CD2 3.81Å; L328-L411 HydrophobicContact CG-CD2 3.6Å; L334-L411 HydrophobicContact CD1-CD1 3.93Å; L334-L411 HydrophobicContact CD1-CD2 3.69Å; L334-L411 HydrophobicContact CD1-CG 3.68Å; I395-L411 HydrophobicContact CG2-CD1 3.99Å; Q407-L411 WeakPolarHBondContact O-CB 3.43Å; Q407-L411 PolarHBondContact O-N 2.94Å; I408-L411 PolarHBondContact O-N 3.34Å; S409-L411 PolarHBondContact O-N 3.34Å; L411-L414 PolarHBondContact O-N 3.15Å; L411-Y415 WeakPolarHBondContact O-CB 3.31Å; L411-Y415 PolarHBondContact O-N 3.1Å
412K97.2Very high97.6Very high31 Ų3166.3 Ų66.314%0.13533%0.325CS..Hα-helixtrans-60.6-48.4176.1175.6179.5174.3-160.20111N318 F324 I408 S409 V410 Y415 L416N318-K412 PolarHBondContact O-NZ 2.93Å; F324-K412 HydrophobicContact CD1-CB 4.08Å; F324-K412 HydrophobicContact CD2-CB 3.92Å; F324-K412 HydrophobicContact CD2-CD 4.11Å; F324-K412 HydrophobicContact CD2-CG 3.95Å; F324-K412 HydrophobicContact CE1-CB 4.2Å; F324-K412 HydrophobicContact CE1-CG 4.22Å; F324-K412 HydrophobicContact CE2-CB 4.05Å; F324-K412 HydrophobicContact CE2-CD 3.83Å; F324-K412 HydrophobicContact CE2-CG 3.59Å; F324-K412 HydrophobicContact CG-CB 3.94Å; F324-K412 HydrophobicContact CG-CG 4.41Å; F324-K412 HydrophobicContact CZ-CB 4.19Å; F324-K412 HydrophobicContact CZ-CD 4.45Å; F324-K412 HydrophobicContact CZ-CG 3.75Å; I408-K412 VanDerWaalsContact O-CB 3.29Å; I408-K412 WeakPolarHBondContact O-CB 3.3Å; I408-K412 PolarHBondContact O-N 2.96Å; S409-K412 PolarHBondContact O-N 3.34Å; V410-K412 VanDerWaalsContact C-N 3.34Å; V410-K412 PolarHBondContact O-N 3.47Å; K412-Y415 WeakPolarHBondContact O-CB 3.48Å; K412-Y415 PolarHBondContact O-N 3.15Å; K412-L416 HydrophobicContact CG-CD1 4.13Å; K412-L416 HydrophobicContact CG-CG 4.39Å; K412-L416 VanDerWaalsContact O-CG 3.31Å; K412-L416 WeakPolarHBondContact O-CG 3.18Å; K412-L416 PolarHBondContact O-N 3.15Å
413E97.1Very high97.6Very high109 Ų10959.8 Ų59.851%0.50929%0.29SS..Hα-helixtrans-62.1-44.2179.7-68.3-52.5150.900111.8S409 V410 Y415 L416 E417S409-E413 WeakPolarHBondContact O-CG 3.49Å; S409-E413 PolarHBondContact O-N 3.36Å; V410-E413 PolarHBondContact O-N 3.36Å; E413-Y415 VanDerWaalsContact C-N 3.32Å; E413-Y415 PolarHBondContact O-N 2.84Å; E413-L416 PolarHBondContact O-N 3.11Å; E413-L416 VanDerWaalsContact O-N 3.16Å; E413-E417 PolarHBondContact O-N 2.84Å
414L97.9Very high97.6Very high73 Ų7363.2 Ų63.238%0.38231%0.308SS..Hα-helixtrans-58.2-43.9174.5178.460.6000111.9I395 V410 L411 L416 E417 E418I395-L414 HydrophobicContact CD1-CG 4.49Å; I395-L414 HydrophobicContact CG2-CD2 3.68Å; I395-L414 HydrophobicContact CG2-CG 4.28Å; V410-L414 PolarHBondContact O-N 3.5Å; L411-L414 PolarHBondContact O-N 3.15Å; L414-L416 PolarHBondContact O-N 3.04Å; L414-E417 PolarHBondContact O-N 3.49Å; L414-E418 HydrophobicContact CD1-CG 4.42Å; L414-E418 WeakPolarHBondContact O-CG 3.3Å; L414-E418 PolarHBondContact O-N 3.26Å
415Y98.1Very high97.5Very high0 Ų064.1 Ų64.10%031%0.306CS..Hα-helixtrans-62.2-42.2176.1176.1-87.7000112.5G217 H219 F323 F324 L334 P336 I395 L411 K412 E413 E418 L419G217-Y415 VanDerWaalsContact CA-OH 3.27Å; G217-Y415 WeakPolarHBondContact CA-OH 3.25Å; G217-Y415 PolarHBondContact O-OH 3.25Å; H219-Y415 PolarHBondContact CD2-OH 2.89Å; H219-Y415 AromaticContact NE2-CE1 3.89Å; H219-Y415 AromaticContact NE2-CZ 3.84Å; H219-Y415 PolarHBondContact NE2-OH 2.8Å; F323-Y415 HydrophobicContact CE1-CE2 4.47Å; F324-Y415 AromaticContact CE1-CD1 3.61Å; F324-Y415 HydrophobicContact CE1-CD1 3.61Å; F324-Y415 HydrophobicContact CE1-CD2 4.38Å; F324-Y415 HydrophobicContact CE1-CE1 4.32Å; F324-Y415 AromaticContact CE1-CG 3.66Å; F324-Y415 HydrophobicContact CE1-CG 3.66Å; F324-Y415 AromaticContact CZ-CD1 3.9Å; F324-Y415 HydrophobicContact CZ-CD1 3.9Å; F324-Y415 HydrophobicContact CZ-CE1 4.41Å; F324-Y415 HydrophobicContact CZ-CG 4.41Å; L334-Y415 HydrophobicContact CB-CD2 4.05Å; L334-Y415 HydrophobicContact CD1-CD2 4.14Å; P336-Y415 HydrophobicContact CB-CD2 4.47Å; P336-Y415 HydrophobicContact CB-CE2 3.88Å; I395-Y415 HydrophobicContact CD1-CD2 4.11Å; L411-Y415 WeakPolarHBondContact O-CB 3.31Å; L411-Y415 PolarHBondContact O-N 3.1Å; K412-Y415 WeakPolarHBondContact O-CB 3.48Å; K412-Y415 PolarHBondContact O-N 3.15Å; E413-Y415 VanDerWaalsContact C-N 3.32Å; E413-Y415 PolarHBondContact O-N 2.84Å; Y415-E418 PolarHBondContact O-N 3.5Å; Y415-L419 HydrophobicContact CE1-CB 4.48Å; Y415-L419 HydrophobicContact CE1-CD2 3.89Å; Y415-L419 VanDerWaalsContact O-CB 3.22Å; Y415-L419 WeakPolarHBondContact O-CB 3.09Å; Y415-L419 PolarHBondContact O-N 2.99Å
416L97.3Very high97.4Very high14 Ų1455.1 Ų55.17%0.07327%0.272CS..Hα-helixtrans-68.2-35.9179.2-67.9179.4000112.2T317 K412 E413 L414 R420 F438T317-L416 HydrophobicContact CG2-CD2 3.7Å; T317-L416 WeakPolarHBondContact OG1-CD2 3.18Å; K412-L416 HydrophobicContact CG-CD1 4.13Å; K412-L416 HydrophobicContact CG-CG 4.39Å; K412-L416 VanDerWaalsContact O-CG 3.31Å; K412-L416 WeakPolarHBondContact O-CG 3.18Å; K412-L416 PolarHBondContact O-N 3.15Å; E413-L416 PolarHBondContact O-N 3.11Å; E413-L416 VanDerWaalsContact O-N 3.16Å; L414-L416 PolarHBondContact O-N 3.04Å; L416-R420 WeakPolarHBondContact O-CB 3.39Å; L416-R420 PolarHBondContact O-N 3.41Å; L416-F438 HydrophobicContact CD2-CD1 3.98Å; L416-F438 HydrophobicContact CD2-CE1 3.86Å
417E97.7Very high97.4Very high111 Ų11152 Ų5252%0.51926%0.257SS..Hα-helixtrans-62.2-53.1172.7-176.2175.3-173.900111E413 L414 L419 R420 N421E413-E417 PolarHBondContact O-N 2.84Å; L414-E417 PolarHBondContact O-N 3.49Å; E417-L419 VanDerWaalsContact C-N 3.3Å; E417-L419 PolarHBondContact O-N 3.3Å; E417-R420 PolarHBondContact O-N 2.96Å; E417-R420 VanDerWaalsContact O-N 3.17Å; E417-N421 WeakPolarHBondContact O-CB 3.25Å; E417-N421 VanDerWaalsContact O-CG 3.23Å; E417-N421 PolarHBondContact O-N 3.15Å; E417-N421 PolarHBondContact O-ND2 3.37Å
418E97.5Very high97.3Very high40 Ų4052 Ų5219%0.18726%0.264CS..Hα-helixtrans-61.8-37.9178.2-69.2-65.989.700111.8P336 R393 I395 L414 Y415 N421 L422P336-E418 HydrophobicContact CG-CB 4.26Å; R393-E418 IonicContact CZ-OE2 3.75Å; R393-E418 IonicContact NE-OE2 3.76Å; R393-E418 IonicContact NH2-OE2 2.86Å; R393-E418 PolarHBondContact NH2-OE2 2.85Å; I395-E418 HydrophobicContact CD1-CB 4.18Å; I395-E418 HydrophobicContact CD1-CG 4.03Å; I395-E418 HydrophobicContact CG1-CG 4.38Å; L414-E418 HydrophobicContact CD1-CG 4.42Å; L414-E418 WeakPolarHBondContact O-CG 3.3Å; L414-E418 PolarHBondContact O-N 3.26Å; Y415-E418 PolarHBondContact O-N 3.5Å; E418-N421 PolarHBondContact O-N 2.94Å; E418-L422 VanDerWaalsContact O-CB 3.26Å; E418-L422 WeakPolarHBondContact O-CB 3.48Å; E418-L422 PolarHBondContact O-N 2.89Å
419L97.7Very high97.2Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-64.7-41.9175.9-178.261.2000112.1F315 P336 V338 Y415 E417 L422 Y423 F438F315-L419 HydrophobicContact CD2-CD2 3.74Å; F315-L419 HydrophobicContact CD2-CG 4.02Å; F315-L419 HydrophobicContact CE2-CD1 4.15Å; F315-L419 HydrophobicContact CE2-CD2 4.18Å; F315-L419 HydrophobicContact CE2-CG 4.01Å; P336-L419 HydrophobicContact CB-CB 4.09Å; P336-L419 HydrophobicContact CB-CD1 3.9Å; V338-L419 HydrophobicContact CG2-CD1 3.47Å; V338-L419 VanDerWaalsContact CG2-CD1 3.47Å; Y415-L419 HydrophobicContact CE1-CB 4.48Å; Y415-L419 HydrophobicContact CE1-CD2 3.89Å; Y415-L419 VanDerWaalsContact O-CB 3.22Å; Y415-L419 WeakPolarHBondContact O-CB 3.09Å; Y415-L419 PolarHBondContact O-N 2.99Å; E417-L419 VanDerWaalsContact C-N 3.3Å; E417-L419 PolarHBondContact O-N 3.3Å; L419-L422 PolarHBondContact O-N 3.03Å; L419-Y423 PolarHBondContact O-N 2.76Å; L419-F438 HydrophobicContact CD2-CE1 4.06Å; L419-F438 HydrophobicContact CG-CE1 4.47Å
420R97.6Very high97.1Very high121 Ų12154.9 Ų54.946%0.45727%0.271SS..Hα-helixtrans-66.1-43.1175.9-175.5-179.7-64.9148.23.5111.3L416 E417 L422 Y423 N424 F438L416-R420 WeakPolarHBondContact O-CB 3.39Å; L416-R420 PolarHBondContact O-N 3.41Å; E417-R420 PolarHBondContact O-N 2.96Å; E417-R420 VanDerWaalsContact O-N 3.17Å; R420-L422 VanDerWaalsContact C-N 3.34Å; R420-Y423 PolarHBondContact O-N 3.04Å; R420-N424 WeakPolarHBondContact O-CB 3.17Å; R420-N424 VanDerWaalsContact O-CG 3.3Å; R420-N424 PolarHBondContact O-N 3.5Å; R420-N424 PolarHBondContact O-ND2 3.24Å; R420-F438 HydrophobicContact CB-CE2 4.13Å; R420-F438 HydrophobicContact CB-CZ 3.93Å; R420-F438 HydrophobicContact CG-CE2 4.25Å
421N97.3Very high97Very high79 Ų7950.9 Ų50.942%0.42225%0.246SC..Hα-helixtrans-61.8-44.2176.6-69.8-20.5000111E417 E418 N424 K425E417-N421 WeakPolarHBondContact O-CB 3.25Å; E417-N421 VanDerWaalsContact O-CG 3.23Å; E417-N421 PolarHBondContact O-N 3.15Å; E417-N421 PolarHBondContact O-ND2 3.37Å; E418-N421 PolarHBondContact O-N 2.94Å; N421-N424 PolarHBondContact O-N 3.06Å; N421-K425 VanDerWaalsContact O-CB 3.3Å; N421-K425 WeakPolarHBondContact O-CB 3.42Å; N421-K425 PolarHBondContact O-N 3.46Å
422L97.3Very high96.9Very high13 Ų1354 Ų547%0.06827%0.267CS..Hα-helixtrans-59.9-48.3175.5-171.367.2000111.3P336 V338 V390 E418 L419 R420 K425 Y426P336-L422 HydrophobicContact CB-CD2 4.37Å; P336-L422 HydrophobicContact CG-CD2 4.49Å; V338-L422 HydrophobicContact CB-CD2 4.48Å; V338-L422 HydrophobicContact CG2-CD2 4.05Å; V338-L422 HydrophobicContact CG2-CG 4.38Å; V390-L422 HydrophobicContact CG1-CD1 3.81Å; V390-L422 HydrophobicContact CG1-CG 4.42Å; E418-L422 VanDerWaalsContact O-CB 3.26Å; E418-L422 WeakPolarHBondContact O-CB 3.48Å; E418-L422 PolarHBondContact O-N 2.89Å; L419-L422 PolarHBondContact O-N 3.03Å; R420-L422 VanDerWaalsContact C-N 3.34Å; L422-K425 PolarHBondContact O-N 2.85Å; L422-Y426 HydrophobicContact CD1-CD2 4Å; L422-Y426 HydrophobicContact CD1-CE2 3.89Å; L422-Y426 WeakPolarHBondContact O-CD2 3.32Å; L422-Y426 PolarHBondContact O-N 3.19Å
423Y97.7Very high96.8Very high2 Ų259.6 Ų59.61%0.00830%0.298CS..Hα-helixtrans-59.6-51.9176.9178.2-90.9000111.8Y313 F315 V338 F340 L419 R420 K425 Y426 K427 G434 L436Y313-Y423 AromaticContact CD1-CE2 3.88Å; Y313-Y423 HydrophobicContact CD1-CE2 3.88Å; Y313-Y423 AromaticContact CD2-CE2 3.75Å; Y313-Y423 HydrophobicContact CD2-CE2 3.75Å; Y313-Y423 AromaticContact CD2-CZ 3.97Å; Y313-Y423 VanDerWaalsContact CD2-OH 3.27Å; Y313-Y423 WeakPolarHBondContact CD2-OH 3.41Å; Y313-Y423 HydrophobicContact CE1-CE2 4.39Å; Y313-Y423 HydrophobicContact CE2-CE2 4.27Å; Y313-Y423 AromaticContact CG-CE2 3.54Å; Y313-Y423 HydrophobicContact CG-CE2 3.54Å; F315-Y423 HydrophobicContact CZ-CD2 4.14Å; V338-Y423 HydrophobicContact CG1-CD2 4.02Å; F340-Y423 HydrophobicContact CD1-CE2 4.38Å; F340-Y423 AromaticContact CE1-CD2 3.67Å; F340-Y423 HydrophobicContact CE1-CD2 3.67Å; F340-Y423 AromaticContact CE1-CE2 3.63Å; F340-Y423 HydrophobicContact CE1-CE2 3.63Å; F340-Y423 HydrophobicContact CE1-CG 4.46Å; F340-Y423 AromaticContact CZ-CD2 3.9Å; F340-Y423 HydrophobicContact CZ-CD2 3.9Å; F340-Y423 HydrophobicContact CZ-CE2 4.34Å; F340-Y423 HydrophobicContact CZ-CG 4.46Å; L419-Y423 PolarHBondContact O-N 2.76Å; R420-Y423 PolarHBondContact O-N 3.04Å; Y423-K425 VanDerWaalsContact C-N 3.28Å; Y423-K425 PolarHBondContact O-N 3.43Å; Y423-Y426 PolarHBondContact O-N 2.94Å; Y423-K427 HydrophobicContact CD1-CB 4.27Å; Y423-K427 HydrophobicContact CE1-CB 3.94Å; Y423-K427 HydrophobicContact CE1-CD 3.64Å; Y423-K427 HydrophobicContact CE1-CG 4.09Å; Y423-K427 VanDerWaalsContact O-CB 3.27Å; Y423-K427 WeakPolarHBondContact O-CB 3.34Å; Y423-K427 PolarHBondContact O-N 3.34Å; Y423-G434 PolarHBondContact OH-O 3.35Å; Y423-L436 HydrophobicContact CD1-CB 3.81Å; Y423-L436 HydrophobicContact CD1-CD2 3.44Å; Y423-L436 VanDerWaalsContact CD1-CD2 3.44Å; Y423-L436 HydrophobicContact CD1-CG 4.18Å; Y423-L436 HydrophobicContact CD2-CD2 4.41Å; Y423-L436 HydrophobicContact CE1-CB 3.39Å; Y423-L436 HydrophobicContact CE1-CD2 3.98Å; Y423-L436 HydrophobicContact CE1-CG 4.25Å; Y423-L436 HydrophobicContact CE2-CB 4.29Å; Y423-L436 HydrophobicContact CG-CB 4.39Å; Y423-L436 HydrophobicContact CG-CD2 3.68Å; Y423-L436 HydrophobicContact CG-CG 4.44Å
424N97.4Very high96.7Very high86 Ų8654.4 Ų54.446%0.4627%0.274SS..Hα-helixtrans-62.8-34-176.5-73.7-21.7000112.8R420 N421 P428R420-N424 WeakPolarHBondContact O-CB 3.17Å; R420-N424 VanDerWaalsContact O-CG 3.3Å; R420-N424 PolarHBondContact O-N 3.5Å; R420-N424 PolarHBondContact O-ND2 3.24Å; N421-N424 PolarHBondContact O-N 3.06Å; N424-P428 VanDerWaalsContact O-CD 3.26Å; N424-P428 WeakPolarHBondContact O-CD 3.42Å
425K96Very high96.6Very high84 Ų8455.2 Ų55.237%0.36528%0.279SS..Hα-helixtrans-66-39177.1-176.6176.8178.5-173.70112.3N421 L422 Y423N421-K425 VanDerWaalsContact O-CB 3.3Å; N421-K425 WeakPolarHBondContact O-CB 3.42Å; N421-K425 PolarHBondContact O-N 3.46Å; L422-K425 PolarHBondContact O-N 2.85Å; Y423-K425 VanDerWaalsContact C-N 3.28Å; Y423-K425 PolarHBondContact O-N 3.43Å
426Y96.4Very high96.5Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-103.6-16.5-171.9-73.3-81.3000115S142 Y145 F340 V390 L422 Y423 I429 Y430S142-Y426 VanDerWaalsContact CA-OH 3.25Å; S142-Y426 WeakPolarHBondContact CA-OH 3.45Å; S142-Y426 PolarHBondContact O-OH 3.39Å; Y145-Y426 WeakPolarHBondContact CB-OH 2.91Å; Y145-Y426 AromaticContact CD1-CE1 3.88Å; Y145-Y426 HydrophobicContact CD1-CE1 3.88Å; Y145-Y426 AromaticContact CD2-CE1 3.83Å; Y145-Y426 HydrophobicContact CD2-CE1 3.83Å; Y145-Y426 HydrophobicContact CE1-CE1 4.29Å; Y145-Y426 HydrophobicContact CE2-CE1 4.26Å; Y145-Y426 AromaticContact CG-CE1 3.63Å; Y145-Y426 HydrophobicContact CG-CE1 3.63Å; F340-Y426 VanDerWaalsContact CE2-CB 3.49Å; V390-Y426 HydrophobicContact CB-CD2 4.49Å; V390-Y426 HydrophobicContact CG1-CD1 4.42Å; V390-Y426 HydrophobicContact CG1-CD2 3.76Å; V390-Y426 HydrophobicContact CG1-CE1 4.33Å; V390-Y426 HydrophobicContact CG1-CE2 3.66Å; V390-Y426 HydrophobicContact CG1-CG 4.16Å; V390-Y426 HydrophobicContact CG2-CD1 4.15Å; V390-Y426 HydrophobicContact CG2-CD2 4.39Å; V390-Y426 HydrophobicContact CG2-CG 4Å; L422-Y426 HydrophobicContact CD1-CD2 4Å; L422-Y426 HydrophobicContact CD1-CE2 3.89Å; L422-Y426 WeakPolarHBondContact O-CD2 3.32Å; L422-Y426 PolarHBondContact O-N 3.19Å; Y423-Y426 PolarHBondContact O-N 2.94Å; Y426-I429 HydrophobicContact CD1-CD1 3.93Å; Y426-I429 HydrophobicContact CE1-CD1 4.37Å; Y426-I429 WeakPolarHBondContact O-CB 3.44Å; Y426-I429 PolarHBondContact O-N 3.19Å; Y426-Y430 HydrophobicContact CD1-CD2 4.16Å; Y426-Y430 AromaticContact CD1-CE2 3.58Å; Y426-Y430 HydrophobicContact CD1-CE2 3.58Å; Y426-Y430 HydrophobicContact CE1-CE2 4.39Å; Y426-Y430 HydrophobicContact CG-CE2 4.29Å; Y426-Y430 PolarHBondContact O-N 3.09Å
427K96.3Very high96.3Very high61 Ų6161.4 Ų61.427%0.26531%0.31SS..Hα-helixtrans-49.3-50.4173.1173.2-169164.3167.40112.1F340 Y423 I429 Y430 D431 P432 G434F340-K427 HydrophobicContact CE1-CB 4.12Å; Y423-K427 HydrophobicContact CD1-CB 4.27Å; Y423-K427 HydrophobicContact CE1-CB 3.94Å; Y423-K427 HydrophobicContact CE1-CD 3.64Å; Y423-K427 HydrophobicContact CE1-CG 4.09Å; Y423-K427 VanDerWaalsContact O-CB 3.27Å; Y423-K427 WeakPolarHBondContact O-CB 3.34Å; Y423-K427 PolarHBondContact O-N 3.34Å; K427-I429 PolarHBondContact O-N 3.32Å; K427-Y430 PolarHBondContact O-N 3.23Å; K427-D431 WeakPolarHBondContact CG-O 3.43Å; K427-D431 CarbonylContact O-C 3Å; K427-D431 PolarHBondContact O-N 3.03Å; K427-P432 WeakPolarHBondContact CE-O 3.44Å; K427-P432 VanDerWaalsContact O-N 3.15Å; K427-G434 WeakPolarHBondContact CD-O 3.43Å; K427-G434 WeakPolarHBondContact CE-O 3.43Å; K427-G434 PolarHBondContact NZ-O 2.65Å
428P96.3Very high96.1Very high88 Ų8858.5 Ų58.557%0.57130%0.295SS*.Hα-helixtrans-62.8-16.7-179.1-22.334.4000114.7N424N424-P428 VanDerWaalsContact O-CD 3.26Å; N424-P428 WeakPolarHBondContact O-CD 3.42Å
429I94.8Very high95.7Very high68 Ų6859.7 Ų59.735%0.34931%0.305SS..Hα-helixtrans-94.6-46-177.8-61.4157.7000110.6Y145 Y426 K427Y145-I429 HydrophobicContact CE1-CD1 3.61Å; Y145-I429 HydrophobicContact CE2-CD1 4.5Å; Y145-I429 WeakPolarHBondContact OH-CD1 3.38Å; Y426-I429 HydrophobicContact CD1-CD1 3.93Å; Y426-I429 HydrophobicContact CE1-CD1 4.37Å; Y426-I429 WeakPolarHBondContact O-CB 3.44Å; Y426-I429 PolarHBondContact O-N 3.19Å; K427-I429 PolarHBondContact O-N 3.32Å
430Y95.8Very high95.6Very high56 Ų5662.7 Ų62.722%0.2232%0.321CS..Hα-helixtrans-106.1-26.4-169.3-62.2-52000114.6F340 N388 V390 Y426 K427F340-Y430 HydrophobicContact CB-CG 4.45Å; F340-Y430 AromaticContact CD2-CD2 3.83Å; F340-Y430 HydrophobicContact CD2-CD2 3.83Å; F340-Y430 HydrophobicContact CD2-CG 4.42Å; F340-Y430 HydrophobicContact CE2-CD2 4.27Å; F340-Y430 HydrophobicContact CG-CD2 4.32Å; F340-Y430 HydrophobicContact CG-CG 4.49Å; N388-Y430 HydrophobicContact CB-CD1 3.66Å; N388-Y430 HydrophobicContact CB-CD2 3.82Å; N388-Y430 HydrophobicContact CB-CE1 3.83Å; N388-Y430 HydrophobicContact CB-CE2 3.99Å; N388-Y430 HydrophobicContact CB-CG 3.67Å; N388-Y430 WeakPolarHBondContact ND2-CD1 3.34Å; V390-Y430 HydrophobicContact CG2-CD2 4.11Å; V390-Y430 HydrophobicContact CG2-CE2 3.73Å; Y426-Y430 HydrophobicContact CD1-CD2 4.16Å; Y426-Y430 AromaticContact CD1-CE2 3.58Å; Y426-Y430 HydrophobicContact CD1-CE2 3.58Å; Y426-Y430 HydrophobicContact CE1-CE2 4.39Å; Y426-Y430 HydrophobicContact CG-CE2 4.29Å; Y426-Y430 PolarHBondContact O-N 3.09Å; K427-Y430 PolarHBondContact O-N 3.23Å
431D95.2Very high95.4Very high18 Ų1859.6 Ų59.610%0.09631%0.313CS..  trans-156.875.2177.6-161.6-14000111Y313 F340 N344 K427 D433 G434Y313-D431 HydrophobicContact CE2-CB 4.34Å; Y313-D431 VanDerWaalsContact CE2-OD2 3.31Å; Y313-D431 WeakPolarHBondContact CE2-OD2 3.44Å; Y313-D431 WeakPolarHBondContact OH-CB 3.34Å; Y313-D431 PolarHBondContact OH-OD2 3.49Å; F340-D431 HydrophobicContact CD1-CB 4.12Å; N344-D431 PolarHBondContact ND2-OD2 3.43Å; K427-D431 WeakPolarHBondContact CG-O 3.43Å; K427-D431 CarbonylContact O-C 3Å; K427-D431 PolarHBondContact O-N 3.03Å; D431-D433 PolarHBondContact O-N 3.03Å; D431-D433 VanDerWaalsContact O-N 3.11Å; D431-G434 PolarHBondContact O-N 3.2Å; D431-G434 PolarHBondContact OD1-N 3.22Å
432P95.9Very high95.3Very high80 Ų8058.6 Ų58.652%0.51931%0.307SS..THydrogen-bonded Turntrans-56.8-29.5-173.1-26.334.5000114.4K427K427-P432 WeakPolarHBondContact CE-O 3.44Å; K427-P432 VanDerWaalsContact O-N 3.15Å
433D95Very high95.2Very high148 Ų14861.2 Ų61.279%0.79132%0.321SS*.THydrogen-bonded Turntrans-90.3-1.2-179.7-61.6-42.5000112.9D431 D435D431-D433 PolarHBondContact O-N 3.03Å; D431-D433 VanDerWaalsContact O-N 3.11Å; D433-D435 PolarHBondContact O-N 3.2Å
434G95.3Very high95.1Very high0 Ų064.9 Ų64.90%034%0.341CS..PPolyproline II helixtrans-63.1129.2-177.800000113.7G311 Y423 K427 D431G311-G434 WeakPolarHBondContact O-CA 3.37Å; Y423-G434 PolarHBondContact OH-O 3.35Å; K427-G434 WeakPolarHBondContact CD-O 3.43Å; K427-G434 WeakPolarHBondContact CE-O 3.43Å; K427-G434 PolarHBondContact NZ-O 2.65Å; D431-G434 PolarHBondContact O-N 3.2Å; D431-G434 PolarHBondContact OD1-N 3.22Å
435D95.7Very high94.9Very high90 Ų9063.5 Ų63.548%0.48133%0.333SS..EExtended strand (participates in β ladder)trans-103.9122.3178.4-175.628000111.3G311 Y313 D433G311-D435 PolarHBondContact O-N 3.03Å; Y313-D435 PolarHBondContact N-O 3.4Å; D433-D435 PolarHBondContact O-N 3.2Å
436L96Very high94.8Very high37 Ų3762.1 Ų62.119%0.19433%0.331CS..EExtended strand (participates in β ladder)trans-100.7129.9-177.7172.264.9000111.4Y313 F315 Y423 F438Y313-L436 WeakPolarHBondContact O-CA 3.44Å; Y313-L436 WeakPolarHBondContact O-CD1 3.24Å; F315-L436 HydrophobicContact CD1-CD1 4.15Å; F315-L436 HydrophobicContact CD2-CD1 3.43Å; F315-L436 VanDerWaalsContact CD2-CD1 3.43Å; F315-L436 HydrophobicContact CE1-CD1 4.12Å; F315-L436 HydrophobicContact CE2-CD1 3.41Å; F315-L436 VanDerWaalsContact CE2-CD1 3.41Å; F315-L436 HydrophobicContact CG-CD1 3.81Å; F315-L436 HydrophobicContact CZ-CD1 3.76Å; Y423-L436 HydrophobicContact CD1-CB 3.81Å; Y423-L436 HydrophobicContact CD1-CD2 3.44Å; Y423-L436 VanDerWaalsContact CD1-CD2 3.44Å; Y423-L436 HydrophobicContact CD1-CG 4.18Å; Y423-L436 HydrophobicContact CD2-CD2 4.41Å; Y423-L436 HydrophobicContact CE1-CB 3.39Å; Y423-L436 HydrophobicContact CE1-CD2 3.98Å; Y423-L436 HydrophobicContact CE1-CG 4.25Å; Y423-L436 HydrophobicContact CE2-CB 4.29Å; Y423-L436 HydrophobicContact CG-CB 4.39Å; Y423-L436 HydrophobicContact CG-CD2 3.68Å; Y423-L436 HydrophobicContact CG-CG 4.44Å; L436-F438 HydrophobicContact CD1-CE2 4.2Å; L436-F438 HydrophobicContact CD2-CD2 4.42Å; L436-F438 HydrophobicContact CD2-CE2 3.57Å; L436-F438 HydrophobicContact CD2-CZ 4.09Å; L436-F438 HydrophobicContact CG-CD2 4.32Å; L436-F438 HydrophobicContact CG-CE2 3.93Å
437M94.2Very high94.7Very high107 Ų10766.8 Ų66.853%0.52736%0.356SS..EExtended strand (participates in β ladder)trans-131.9131.7173-177-176.8-73.900110.1Y313 V314 F315 V439Y313-M437 PolarHBondContact O-N 3.12Å; V314-M437 CarbonylContact C-O 3.37Å; V314-M437 WeakPolarHBondContact CA-O 3.36Å; F315-M437 PolarHBondContact N-O 2.9Å; M437-V439 HydrophobicContact CG-CG2 3.89Å; M437-V439 HydrophobicContact SD-CG2 3.86Å
438F92.1Very high94.6Very high51 Ų5167.3 Ų67.322%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-94.3132168.9-70.6-94.3000109.6F315 L416 L419 R420 L436F315-F438 HydrophobicContact CB-CD1 4.12Å; F315-F438 HydrophobicContact CB-CE1 4.34Å; F315-F438 AromaticContact CD2-CE1 3.98Å; F315-F438 HydrophobicContact CD2-CE1 3.98Å; F315-F438 HydrophobicContact CD2-CZ 4.16Å; L416-F438 HydrophobicContact CD2-CD1 3.98Å; L416-F438 HydrophobicContact CD2-CE1 3.86Å; L419-F438 HydrophobicContact CD2-CE1 4.06Å; L419-F438 HydrophobicContact CG-CE1 4.47Å; R420-F438 HydrophobicContact CB-CE2 4.13Å; R420-F438 HydrophobicContact CB-CZ 3.93Å; R420-F438 HydrophobicContact CG-CE2 4.25Å; L436-F438 HydrophobicContact CD1-CE2 4.2Å; L436-F438 HydrophobicContact CD2-CD2 4.42Å; L436-F438 HydrophobicContact CD2-CE2 3.57Å; L436-F438 HydrophobicContact CD2-CZ 4.09Å; L436-F438 HydrophobicContact CG-CD2 4.32Å; L436-F438 HydrophobicContact CG-CE2 3.93Å
439V88.9Confident94.4Very high65 Ų6565.5 Ų65.539%0.39435%0.345SS..  trans-126.70-178.7-1780000112.8V314 F315 H316 T317 N318 M437V314-V439 HydrophobicContact CG1-CB 4.2Å; V314-V439 HydrophobicContact CG1-CG2 3.54Å; F315-V439 PolarHBondContact O-N 3.26Å; H316-V439 CarbonylContact C-O 3.59Å; H316-V439 WeakPolarHBondContact CA-O 3.48Å; T317-V439 PolarHBondContact N-O 3Å; N318-V439 VanDerWaalsContact CB-OXT 3.29Å; N318-V439 WeakPolarHBondContact CB-OXT 3.46Å; N318-V439 VanDerWaalsContact CG-OXT 3.28Å; N318-V439 PolarHBondContact N-O 3.31Å; N318-V439 PolarHBondContact ND2-OXT 2.85Å; M437-V439 HydrophobicContact CG-CG2 3.89Å; M437-V439 HydrophobicContact SD-CG2 3.86Å

Retrieved 439 of 439 residues in 125.3 ms (Link to these results)

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