A0A087Y4Y8_POEFO Loading...

[histone H4]-N-methyl-L-lysine20 N-methyltransferase KMT5B

AlphaFold DB , UniProt , Accession A0A087Y4Y8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 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
1M33.7Very low69.9Low226 Ų22690.1 Ų90.1100%1.11345%0.454SS*.  080.60-88.5-151.8-179.100106.2
2D37.7Very low72.1Confident138 Ų13882.8 Ų82.874%0.73842%0.417SS*.  trans-127.843.8-156.6-66.2-72.8000113.6
3G42.7Very low73.9Confident42 Ų4276.4 Ų76.443%0.43339%0.385SS..  trans-112.154.6-176.400000114.1T5 Q92G3-T5 VanDerWaalsContact C-N 3.27Å; G3-T5 PolarHBondContact O-N 3Å; G3-Q92 PolarHBondContact O-NE2 2.91Å; G3-Q92 VanDerWaalsContact O-NE2 3.15Å
4Y53.8Low75.4Confident124 Ų12471.9 Ų71.949%0.48636%0.362SS..  trans-72.988.6164.5-71.2-71.1000108.6K197 I199Y4-K197 HydrophobicContact CD2-CD 4.41Å; Y4-I199 HydrophobicContact CD1-CD1 3.62Å; Y4-I199 HydrophobicContact CE1-CD1 3.78Å; Y4-I199 HydrophobicContact CG-CD1 4.11Å
5T62.7Low76.7Confident71 Ų7167.3 Ų67.344%0.43634%0.339SS..PPolyproline II helixtrans-74.9128.1178.8-50.10000109.5G3 M7G3-T5 VanDerWaalsContact C-N 3.27Å; G3-T5 PolarHBondContact O-N 3Å; T5-M7 PolarHBondContact O-N 3.1Å
6R78.7Confident78Confident157 Ų15763.1 Ų63.159%0.59232%0.318SS*.PPolyproline II helixtrans-61.4117.2173.5177.4177.8-177167.94.3108.6E145R6-E145 IonicContact NH2-OE2 3.92Å; R6-E145 PolarHBondContact NH2-OE2 3.31Å
7M88.7Confident79.1Confident18 Ų1860.1 Ų60.19%0.08930%0.303CS..PPolyproline II helixtrans-80141.4173.5-61179.6-169.200110.2T5 E11 L12 T15 L89T5-M7 PolarHBondContact O-N 3.1Å; M7-E11 HydrophobicContact CB-CB 4.11Å; M7-L12 HydrophobicContact CB-CB 4.16Å; M7-L12 HydrophobicContact SD-CB 4.42Å; M7-L12 HydrophobicContact SD-CD1 3.93Å; M7-T15 HydrophobicContact CE-CG2 4.41Å; M7-L89 HydrophobicContact CE-CB 3.95Å; M7-L89 HydrophobicContact CE-CD2 3.86Å; M7-L89 HydrophobicContact CE-CG 4.36Å; M7-L89 HydrophobicContact CG-CD1 4.09Å; M7-L89 HydrophobicContact CG-CD2 3.97Å
8S91.8Very high80Confident56 Ų5657.1 Ų57.139%0.39229%0.288SS..PPolyproline II helixtrans-66166.5161.364.70000110.9K10 E11 L12S8-K10 VanDerWaalsContact C-N 3.31Å; S8-K10 PolarHBondContact O-N 3.26Å; S8-E11 VanDerWaalsContact CB-OE2 3.28Å; S8-E11 WeakPolarHBondContact CB-OE2 3.44Å; S8-E11 PolarHBondContact N-OE2 3.28Å; S8-E11 PolarHBondContact O-N 2.97Å; S8-E11 WeakPolarHBondContact OG-CB 3.42Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 VanDerWaalsContact OG-CG 3.23Å; S8-E11 WeakPolarHBondContact OG-CG 3.4Å; S8-E11 PolarHBondContact OG-N 3.32Å; S8-E11 PolarHBondContact OG-OE2 3.39Å; S8-L12 WeakPolarHBondContact O-CB 3.43Å; S8-L12 PolarHBondContact O-N 2.88Å
9V92.6Very high80.9Confident5 Ų554.1 Ų54.13%0.0327%0.272CS..Hα-helixtrans-57.8-45.6176.61770000110.7L12 C13 A144 L146 D150 V153 L174V9-L12 PolarHBondContact O-N 3.21Å; V9-C13 PolarHBondContact O-N 3.05Å; V9-C13 PolarHBondContact O-SG 2.91Å; V9-A144 HydrophobicContact CB-CB 4.4Å; V9-A144 HydrophobicContact CG2-CB 3.79Å; V9-L146 HydrophobicContact CG1-CD2 3.81Å; V9-L146 HydrophobicContact CG2-CD2 3.89Å; V9-D150 HydrophobicContact CB-CB 4.35Å; V9-D150 HydrophobicContact CG1-CB 4.34Å; V9-D150 HydrophobicContact CG2-CB 4.04Å; V9-V153 HydrophobicContact CG1-CG1 4.27Å; V9-L174 HydrophobicContact CG1-CD2 4.13Å
10K92.9Very high81.6Confident112 Ų11251.4 Ų51.449%0.48726%0.259SS..Hα-helixtrans-62.5-47.1179-174.7174.4-170.7-72.20112.1S8 L12 C13 E14 I37S8-K10 VanDerWaalsContact C-N 3.31Å; S8-K10 PolarHBondContact O-N 3.26Å; K10-L12 VanDerWaalsContact C-N 3.34Å; K10-L12 PolarHBondContact O-N 2.85Å; K10-C13 PolarHBondContact O-N 2.84Å; K10-E14 VanDerWaalsContact CE-OE1 3.28Å; K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 WeakPolarHBondContact CG-OE1 3.44Å; K10-E14 IonicContact NZ-OE1 3.53Å; K10-E14 PolarHBondContact NZ-OE1 2.96Å; K10-E14 IonicContact NZ-OE2 3.35Å; K10-E14 WeakPolarHBondContact O-CG 3.2Å; K10-E14 PolarHBondContact O-N 3.46Å; K10-I37 HydrophobicContact CB-CD1 4.26Å; K10-I37 HydrophobicContact CG-CD1 3.87Å
11E94.2Very high82.3Confident42 Ų4249.8 Ų49.820%0.19625%0.253CS..Hα-helixtrans-61.3-43.4177.4-73.8165.4133.300111.4M7 S8 T15 H85 L89M7-E11 HydrophobicContact CB-CB 4.11Å; S8-E11 VanDerWaalsContact CB-OE2 3.28Å; S8-E11 WeakPolarHBondContact CB-OE2 3.44Å; S8-E11 PolarHBondContact N-OE2 3.28Å; S8-E11 PolarHBondContact O-N 2.97Å; S8-E11 WeakPolarHBondContact OG-CB 3.42Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 VanDerWaalsContact OG-CG 3.23Å; S8-E11 WeakPolarHBondContact OG-CG 3.4Å; S8-E11 PolarHBondContact OG-N 3.32Å; S8-E11 PolarHBondContact OG-OE2 3.39Å; E11-T15 WeakPolarHBondContact O-CB 3.36Å; E11-T15 PolarHBondContact O-N 3.42Å; E11-T15 PolarHBondContact O-OG1 3.14Å; E11-H85 IonicContact OE1-CD2 2.61Å; E11-H85 IonicContact OE1-CE1 3.71Å; E11-H85 IonicContact OE1-NE2 3.09Å; E11-H85 PolarHBondContact OE1-NE2 2.92Å; E11-L89 HydrophobicContact CB-CD1 4.14Å; E11-L89 HydrophobicContact CG-CD1 4.19Å
12L95.3Very high85.2Confident2 Ų239.1 Ų39.11%0.0120%0.2CC..Hα-helixtrans-62.7-48179.4-178.357.4000111.4M7 S8 V9 K10 T15 D16 C142 A144 L176M7-L12 HydrophobicContact CB-CB 4.16Å; M7-L12 HydrophobicContact SD-CB 4.42Å; M7-L12 HydrophobicContact SD-CD1 3.93Å; S8-L12 WeakPolarHBondContact O-CB 3.43Å; S8-L12 PolarHBondContact O-N 2.88Å; V9-L12 PolarHBondContact O-N 3.21Å; K10-L12 VanDerWaalsContact C-N 3.34Å; K10-L12 PolarHBondContact O-N 2.85Å; L12-T15 PolarHBondContact O-N 3.38Å; L12-D16 VanDerWaalsContact O-CB 3.28Å; L12-D16 WeakPolarHBondContact O-CB 3.29Å; L12-D16 PolarHBondContact O-N 2.94Å; L12-C142 HydrophobicContact CD1-CB 3.59Å; L12-C142 HydrophobicContact CD2-CB 4.5Å; L12-A144 HydrophobicContact CB-CB 4.43Å; L12-A144 HydrophobicContact CD2-CB 3.63Å; L12-L176 HydrophobicContact CD1-CB 4.03Å; L12-L176 HydrophobicContact CD2-CB 4.38Å; L12-L176 HydrophobicContact CG-CB 4.09Å; L12-L176 HydrophobicContact CG-CD1 3.94Å; L12-L176 HydrophobicContact CG-CG 4.29Å
13C95.7Very high87.9Confident0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-57.7-52.5176.9-68.10000112.5V9 K10 T15 D16 D17 M35 I37 L174V9-C13 PolarHBondContact O-N 3.05Å; V9-C13 PolarHBondContact O-SG 2.91Å; K10-C13 PolarHBondContact O-N 2.84Å; C13-T15 VanDerWaalsContact C-N 3.33Å; C13-T15 PolarHBondContact O-N 3.48Å; C13-D16 PolarHBondContact O-N 3.47Å; C13-D17 WeakPolarHBondContact O-CB 3.21Å; C13-D17 VanDerWaalsContact O-CG 3.3Å; C13-D17 PolarHBondContact O-N 3.03Å; C13-M35 HydrophobicContact CB-CB 3.67Å; C13-M35 HydrophobicContact CB-CG 3.9Å; C13-I37 HydrophobicContact CB-CD1 3.42Å; C13-I37 VanDerWaalsContact CB-CD1 3.42Å; C13-I37 HydrophobicContact CB-CG1 3.84Å; C13-I37 HydrophobicContact CB-CG2 4.42Å; C13-L174 WeakPolarHBondContact SG-CD2 3.44Å
14E94.6Very high90.5Very high14 Ų1430.5 Ų30.57%0.06514%0.144CC..Hα-helixtrans-67.5-36.4-177-69174.4179.600111.7K10 L18 I37 S38 R86K10-E14 VanDerWaalsContact CE-OE1 3.28Å; K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 WeakPolarHBondContact CG-OE1 3.44Å; K10-E14 IonicContact NZ-OE1 3.53Å; K10-E14 PolarHBondContact NZ-OE1 2.96Å; K10-E14 IonicContact NZ-OE2 3.35Å; K10-E14 WeakPolarHBondContact O-CG 3.2Å; K10-E14 PolarHBondContact O-N 3.46Å; E14-L18 WeakPolarHBondContact O-CB 3.36Å; E14-L18 VanDerWaalsContact O-CG 3.25Å; E14-L18 WeakPolarHBondContact O-CG 3.34Å; E14-L18 PolarHBondContact O-N 3.07Å; E14-L18 VanDerWaalsContact O-N 3.16Å; E14-I37 HydrophobicContact CG-CD1 4.19Å; E14-I37 HydrophobicContact CG-CG1 4.13Å; E14-S38 WeakPolarHBondContact OE1-CB 3.47Å; E14-S38 PolarHBondContact OE1-OG 3.18Å; E14-R86 IonicContact OE2-CZ 2.64Å; E14-R86 VanDerWaalsContact OE2-CZ 3.24Å; E14-R86 IonicContact OE2-NH1 2.71Å; E14-R86 IonicContact OE2-NH2 3.14Å; E14-R86 PolarHBondContact OE2-NH2 2.88Å
15T95.9Very high92.5Very high3 Ų324.8 Ų24.82%0.01812%0.122CC..Hα-helixtrans-69.4-42.3179.6-58.80000111.5M7 E11 L12 C13 A19 L90 H93M7-T15 HydrophobicContact CE-CG2 4.41Å; E11-T15 WeakPolarHBondContact O-CB 3.36Å; E11-T15 PolarHBondContact O-N 3.42Å; E11-T15 PolarHBondContact O-OG1 3.14Å; L12-T15 PolarHBondContact O-N 3.38Å; C13-T15 VanDerWaalsContact C-N 3.33Å; C13-T15 PolarHBondContact O-N 3.48Å; T15-A19 VanDerWaalsContact O-CB 3.28Å; T15-A19 WeakPolarHBondContact O-CB 3.45Å; T15-A19 PolarHBondContact O-N 3.43Å; T15-L90 HydrophobicContact CG2-CB 4.35Å; T15-L90 HydrophobicContact CG2-CD1 4.14Å; T15-H93 HydrophobicContact CG2-CB 3.49Å; T15-H93 VanDerWaalsContact CG2-CB 3.49Å
16D97.5Very high94Very high0 Ų021.6 Ų21.60%010%0.102CC..Hα-helixtrans-68.3-42.1178-171.371.6000112L12 C13 L18 A19 T20 H93 Y97 L176 G177L12-D16 VanDerWaalsContact O-CB 3.28Å; L12-D16 WeakPolarHBondContact O-CB 3.29Å; L12-D16 PolarHBondContact O-N 2.94Å; C13-D16 PolarHBondContact O-N 3.47Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.13Å; D16-A19 PolarHBondContact O-N 3.41Å; D16-T20 WeakPolarHBondContact O-CB 3.41Å; D16-T20 WeakPolarHBondContact O-CG2 3.37Å; D16-T20 PolarHBondContact O-N 3.29Å; D16-T20 PolarHBondContact O-OG1 3.1Å; D16-H93 IonicContact OD1-CD2 2.95Å; D16-H93 IonicContact OD1-NE2 2.96Å; D16-H93 PolarHBondContact OD1-NE2 2.67Å; D16-Y97 PolarHBondContact OD1-OH 2.8Å; D16-L176 HydrophobicContact CB-CB 3.91Å; D16-L176 HydrophobicContact CB-CD1 3.53Å; D16-L176 HydrophobicContact CB-CG 4.24Å; D16-G177 PolarHBondContact OD1-N 2.92Å
17D96.2Very high94.6Very high12 Ų1216.4 Ų16.46%0.0649%0.086CC..Hα-helixtrans-57.8-45.4174.9-77.5-5.5000111.4C13 T20 S21 K34 M35 N36C13-D17 WeakPolarHBondContact O-CB 3.21Å; C13-D17 VanDerWaalsContact O-CG 3.3Å; C13-D17 PolarHBondContact O-N 3.03Å; D17-T20 PolarHBondContact O-OG1 2.71Å; D17-T20 VanDerWaalsContact O-OG1 3.13Å; D17-S21 VanDerWaalsContact O-CB 3.3Å; D17-S21 WeakPolarHBondContact O-CB 3.45Å; D17-S21 PolarHBondContact O-N 3.04Å; D17-S21 VanDerWaalsContact O-N 3.08Å; D17-S21 PolarHBondContact O-OG 3.48Å; D17-K34 HydrophobicContact CB-CD 3.98Å; D17-K34 VanDerWaalsContact OD1-CA 3.23Å; D17-K34 WeakPolarHBondContact OD1-CA 3.26Å; D17-K34 WeakPolarHBondContact OD1-CD 3.45Å; D17-M35 PolarHBondContact OD1-N 3.12Å; D17-M35 PolarHBondContact OD2-N 3.41Å; D17-N36 WeakPolarHBondContact OD2-CA 3.45Å; D17-N36 PolarHBondContact OD2-N 3.13Å
18L95.3Very high94.9Very high5 Ų517.3 Ų17.33%0.0269%0.091CC..Hα-helixtrans-66.7-45.4176.9-70.7171.3000111.7E14 D16 S21 L22 P41 Y78 F79 L82 L90E14-L18 WeakPolarHBondContact O-CB 3.36Å; E14-L18 VanDerWaalsContact O-CG 3.25Å; E14-L18 WeakPolarHBondContact O-CG 3.34Å; E14-L18 PolarHBondContact O-N 3.07Å; E14-L18 VanDerWaalsContact O-N 3.16Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.13Å; L18-S21 PolarHBondContact O-N 3.44Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 3.35Å; L18-P41 HydrophobicContact CD2-CG 4.12Å; L18-Y78 HydrophobicContact CD1-CE1 4.01Å; L18-Y78 HydrophobicContact CD2-CE1 3.93Å; L18-F79 HydrophobicContact CD1-CE1 4.35Å; L18-F79 HydrophobicContact CD2-CE1 4.1Å; L18-F79 HydrophobicContact CD2-CZ 4.35Å; L18-L82 HydrophobicContact CD1-CD1 4.34Å; L18-L90 HydrophobicContact CB-CD1 3.64Å; L18-L90 HydrophobicContact CB-CD2 4.47Å; L18-L90 HydrophobicContact CD1-CD1 4.45Å; L18-L90 HydrophobicContact CD1-CD2 4.33Å
19A96.4Very high94.9Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-64.8-43.3-177.800000112.1T15 D16 L22 V23 L90 H93 V94 Y97T15-A19 VanDerWaalsContact O-CB 3.28Å; T15-A19 WeakPolarHBondContact O-CB 3.45Å; T15-A19 PolarHBondContact O-N 3.43Å; D16-A19 PolarHBondContact O-N 3.41Å; A19-L22 PolarHBondContact O-N 2.97Å; A19-V23 WeakPolarHBondContact O-CB 3.47Å; A19-V23 WeakPolarHBondContact O-CG2 3.41Å; A19-V23 PolarHBondContact O-N 3.47Å; A19-L90 HydrophobicContact CB-CD1 4.22Å; A19-H93 HydrophobicContact CB-CB 4.45Å; A19-V94 HydrophobicContact CB-CG2 4.04Å; A19-Y97 HydrophobicContact CB-CD2 3.77Å; A19-Y97 HydrophobicContact CB-CE2 3.84Å
20T96.4Very high95Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-65.7-39175.656.40000111.5D16 D17 L22 V23 L24 D25 K34 Y97 F181D16-T20 WeakPolarHBondContact O-CB 3.41Å; D16-T20 WeakPolarHBondContact O-CG2 3.37Å; D16-T20 PolarHBondContact O-N 3.29Å; D16-T20 PolarHBondContact O-OG1 3.1Å; D17-T20 PolarHBondContact O-OG1 2.71Å; D17-T20 VanDerWaalsContact O-OG1 3.13Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 3.37Å; T20-V23 PolarHBondContact O-N 2.97Å; T20-L24 HydrophobicContact CG2-CD1 4.07Å; T20-L24 WeakPolarHBondContact O-CA 3.39Å; T20-L24 PolarHBondContact O-N 2.8Å; T20-D25 PolarHBondContact O-N 2.97Å; T20-K34 WeakPolarHBondContact OG1-CE 3.3Å; T20-K34 PolarHBondContact OG1-NZ 3.34Å; T20-K34 VanDerWaalsContact OG1-NZ 3.11Å; T20-Y97 HydrophobicContact CG2-CE1 4.11Å; T20-Y97 HydrophobicContact CG2-CE2 4.1Å; T20-Y97 WeakPolarHBondContact CG2-OH 3.46Å; T20-F181 HydrophobicContact CG2-CE2 4.35Å; T20-F181 HydrophobicContact CG2-CZ 4.3Å
21S94.8Very high95.1Very high19 Ų1916.3 Ų16.313%0.13310%0.1CC..Hα-helixtrans-65.7-31.9175.8-56.20000113.6D17 L18 P26 K34D17-S21 VanDerWaalsContact O-CB 3.3Å; D17-S21 WeakPolarHBondContact O-CB 3.45Å; D17-S21 PolarHBondContact O-N 3.04Å; D17-S21 VanDerWaalsContact O-N 3.08Å; D17-S21 PolarHBondContact O-OG 3.48Å; L18-S21 PolarHBondContact O-N 3.44Å; S21-P26 WeakPolarHBondContact O-CD 3.01Å; S21-K34 WeakPolarHBondContact OG-CE 3.4Å
22L94.8Very high95.1Very high1 Ų114.6 Ų14.61%0.0059%0.092CC..Hα-helixtrans-82.1-34.8178-72.3172.9000113L18 A19 T20 I43 L49 L69 T70 F79 L90 V94L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 3.35Å; A19-L22 PolarHBondContact O-N 2.97Å; T20-L22 VanDerWaalsContact C-N 3.32Å; T20-L22 PolarHBondContact O-N 3.37Å; L22-I43 HydrophobicContact CD2-CD1 3.94Å; L22-I43 HydrophobicContact CG-CD1 4.24Å; L22-L49 HydrophobicContact CD2-CD1 4.47Å; L22-L49 HydrophobicContact CD2-CD2 4.19Å; L22-L69 HydrophobicContact CD2-CB 4.41Å; L22-L69 WeakPolarHBondContact CD2-O 3.44Å; L22-T70 HydrophobicContact CD1-CG2 4.3Å; L22-F79 HydrophobicContact CD1-CE1 4.17Å; L22-F79 HydrophobicContact CD1-CZ 3.89Å; L22-F79 HydrophobicContact CD2-CE2 4.36Å; L22-F79 HydrophobicContact CD2-CZ 4.08Å; L22-F79 HydrophobicContact CG-CZ 4.3Å; L22-L90 HydrophobicContact CD1-CD2 4.46Å; L22-V94 HydrophobicContact CD1-CG2 4.44Å
23V96Very high95.1Very high0 Ų016.5 Ų16.50%010%0.101CC..THydrogen-bonded Turntrans-110.5-60.6-170.5-174.60000112.1A19 T20 L27 L53 L69 V94 L98 L102A19-V23 WeakPolarHBondContact O-CB 3.47Å; A19-V23 WeakPolarHBondContact O-CG2 3.41Å; A19-V23 PolarHBondContact O-N 3.47Å; T20-V23 PolarHBondContact O-N 2.97Å; V23-L27 HydrophobicContact CG1-CD1 4.06Å; V23-L27 WeakPolarHBondContact O-CD1 3.33Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L53 HydrophobicContact CG1-CD2 4.12Å; V23-L53 HydrophobicContact CG2-CD2 4.47Å; V23-L53 WeakPolarHBondContact O-CD1 3.5Å; V23-L69 HydrophobicContact CG2-CD1 4.28Å; V23-V94 HydrophobicContact CG2-CG1 3.95Å; V23-L98 HydrophobicContact CG1-CD2 4.12Å; V23-L98 HydrophobicContact CG2-CD2 4.38Å; V23-L102 HydrophobicContact CG1-CD2 4.07Å
24L96Very high95Very high0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-76.7-45.7-169.5-69.1-167.4000113.6T20 L27 L28 T32 Y97 F101 I109 F181T20-L24 HydrophobicContact CG2-CD1 4.07Å; T20-L24 WeakPolarHBondContact O-CA 3.39Å; T20-L24 PolarHBondContact O-N 2.8Å; L24-L27 WeakPolarHBondContact O-CB 3.36Å; L24-L27 PolarHBondContact O-N 3.47Å; L24-L28 PolarHBondContact O-N 2.85Å; L24-T32 HydrophobicContact CB-CG2 4.29Å; L24-Y97 HydrophobicContact CD1-CD1 3.75Å; L24-Y97 HydrophobicContact CD1-CE1 3.49Å; L24-Y97 VanDerWaalsContact CD1-CE1 3.49Å; L24-Y97 HydrophobicContact CD2-CD1 4Å; L24-Y97 HydrophobicContact CG-CD1 3.75Å; L24-Y97 HydrophobicContact CG-CE1 3.99Å; L24-F101 HydrophobicContact CD1-CE2 4.43Å; L24-F101 HydrophobicContact CD2-CD2 3.49Å; L24-F101 VanDerWaalsContact CD2-CD2 3.49Å; L24-F101 HydrophobicContact CD2-CE2 3.9Å; L24-F101 HydrophobicContact CD2-CG 4.19Å; L24-I109 HydrophobicContact CD1-CD1 3.85Å; L24-I109 HydrophobicContact CD2-CD1 4.23Å; L24-I109 HydrophobicContact CD2-CG2 4.24Å; L24-F181 HydrophobicContact CD1-CD2 4.09Å; L24-F181 HydrophobicContact CD1-CE1 4.25Å; L24-F181 HydrophobicContact CD1-CE2 3.35Å; L24-F181 HydrophobicContact CD1-CZ 3.43Å; L24-F181 VanDerWaalsContact CD1-CZ 3.43Å
25D95.3Very high95Very high3 Ų317.6 Ų17.62%0.01611%0.105CC..Hα-helixtrans-61-43.4-174.9-61.5-6000111.6T20 L27 L28 G29 F30 T32 K34 W46T20-D25 PolarHBondContact O-N 2.97Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 3.1Å; D25-L28 PolarHBondContact O-N 3.15Å; D25-G29 WeakPolarHBondContact O-CA 3.48Å; D25-G29 PolarHBondContact O-N 2.93Å; D25-F30 VanDerWaalsContact CA-O 3.29Å; D25-F30 WeakPolarHBondContact CA-O 3.49Å; D25-F30 WeakPolarHBondContact CB-O 3.44Å; D25-F30 PolarHBondContact O-N 3.5Å; D25-T32 WeakPolarHBondContact OD1-CB 3.06Å; D25-T32 WeakPolarHBondContact OD1-CG2 3.27Å; D25-T32 PolarHBondContact OD1-N 2.99Å; D25-T32 PolarHBondContact OD1-OG1 3.42Å; D25-K34 IonicContact OD1-NZ 3.31Å; D25-K34 PolarHBondContact OD1-NZ 2.9Å; D25-K34 VanDerWaalsContact OD1-NZ 3.14Å; D25-K34 WeakPolarHBondContact OD2-CE 3.42Å; D25-K34 IonicContact OD2-NZ 3.14Å; D25-K34 PolarHBondContact OD2-NZ 3.33Å; D25-W46 HydrophobicContact CB-CZ2 4Å
26P94.3Very high94.9Very high4 Ų421.8 Ų21.83%0.02613%0.128CC..Hα-helixtrans-65.8-28.1173.3-21.734.5000114.3S21 W46 L49 L53S21-P26 WeakPolarHBondContact O-CD 3.01Å; P26-W46 HydrophobicContact CB-CB 4.33Å; P26-W46 HydrophobicContact CB-CG 4.34Å; P26-W46 HydrophobicContact CG-CG 4.28Å; P26-L49 HydrophobicContact CB-CB 4.05Å; P26-L49 HydrophobicContact CG-CB 3.84Å; P26-L49 HydrophobicContact CG-CD1 3.76Å; P26-L49 HydrophobicContact CG-CG 4.48Å; P26-L53 HydrophobicContact CB-CD1 4.41Å
27L92.3Very high94.6Very high49 Ų4924 Ų2426%0.25714%0.139SC..Hα-helixtrans-75.3-43.7177.8-70.3168.5000111.8V23 L24 D25 L53 L102V23-L27 HydrophobicContact CG1-CD1 4.06Å; V23-L27 WeakPolarHBondContact O-CD1 3.33Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; L24-L27 WeakPolarHBondContact O-CB 3.36Å; L24-L27 PolarHBondContact O-N 3.47Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 3.1Å; L27-L53 HydrophobicContact CD1-CD1 4.15Å; L27-L53 HydrophobicContact CD2-CB 4.28Å; L27-L53 HydrophobicContact CD2-CD1 3.96Å; L27-L53 HydrophobicContact CG-CD1 3.75Å; L27-L102 HydrophobicContact CD1-CD1 4.01Å; L27-L102 HydrophobicContact CD1-CD2 3.43Å; L27-L102 VanDerWaalsContact CD1-CD2 3.43Å; L27-L102 HydrophobicContact CD1-CG 4.31Å; L27-L102 HydrophobicContact CD2-CD1 3.87Å
28L94Very high94.1Very high36 Ų3625 Ų2519%0.18815%0.147CC..Hα-helixtrans-83.1-21.9-178.1-69.5171.8000112.7L24 D25 F30 T32 I109 A122L24-L28 PolarHBondContact O-N 2.85Å; D25-L28 PolarHBondContact O-N 3.15Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 HydrophobicContact CB-CD1 4Å; L28-F30 HydrophobicContact CB-CE1 3.68Å; L28-F30 HydrophobicContact CB-CE2 4.29Å; L28-F30 HydrophobicContact CB-CG 4.44Å; L28-F30 HydrophobicContact CB-CZ 3.86Å; L28-F30 HydrophobicContact CD1-CE2 4.14Å; L28-F30 HydrophobicContact CD1-CZ 3.89Å; L28-F30 HydrophobicContact CD2-CE1 4.46Å; L28-F30 HydrophobicContact CD2-CZ 4.42Å; L28-F30 HydrophobicContact CG-CE1 4.44Å; L28-F30 HydrophobicContact CG-CZ 4.28Å; L28-F30 WeakPolarHBondContact O-CD1 3.27Å; L28-T32 HydrophobicContact CD1-CG2 3.44Å; L28-T32 VanDerWaalsContact CD1-CG2 3.44Å; L28-I109 HydrophobicContact CD1-CD1 4.04Å; L28-I109 HydrophobicContact CD1-CG1 4.23Å; L28-I109 HydrophobicContact CD2-CG1 4.47Å; L28-I109 HydrophobicContact CD2-CG2 4.31Å; L28-A122 HydrophobicContact CD1-CB 4.28Å
29G93.6Very high93.3Very high51 Ų5130.5 Ų30.553%0.52618%0.183SC..THydrogen-bonded Turntrans77.216.9-178.900000113.8D25 W46D25-G29 WeakPolarHBondContact O-CA 3.48Å; D25-G29 PolarHBondContact O-N 2.93Å; G29-W46 VanDerWaalsContact C-CZ3 3.43Å; G29-W46 WeakPolarHBondContact O-CZ3 3.18Å
30F94Very high92.2Very high35 Ų3533.4 Ų33.415%0.15421%0.207CC..SBendtrans-150.6160.8174.260.5-102.2000110.2D25 L28 T32 N120 G121D25-F30 VanDerWaalsContact CA-O 3.29Å; D25-F30 WeakPolarHBondContact CA-O 3.49Å; D25-F30 WeakPolarHBondContact CB-O 3.44Å; D25-F30 PolarHBondContact O-N 3.5Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 HydrophobicContact CB-CD1 4Å; L28-F30 HydrophobicContact CB-CE1 3.68Å; L28-F30 HydrophobicContact CB-CE2 4.29Å; L28-F30 HydrophobicContact CB-CG 4.44Å; L28-F30 HydrophobicContact CB-CZ 3.86Å; L28-F30 HydrophobicContact CD1-CE2 4.14Å; L28-F30 HydrophobicContact CD1-CZ 3.89Å; L28-F30 HydrophobicContact CD2-CE1 4.46Å; L28-F30 HydrophobicContact CD2-CZ 4.42Å; L28-F30 HydrophobicContact CG-CE1 4.44Å; L28-F30 HydrophobicContact CG-CZ 4.28Å; L28-F30 WeakPolarHBondContact O-CD1 3.27Å; F30-T32 HydrophobicContact CD2-CG2 4.41Å; F30-T32 HydrophobicContact CE2-CG2 3.93Å; F30-T32 PolarHBondContact O-N 2.81Å; F30-N120 HydrophobicContact CD2-CB 3.53Å; F30-N120 HydrophobicContact CE2-CB 3.89Å; F30-N120 VanDerWaalsContact CE2-O 3.25Å; F30-N120 WeakPolarHBondContact CE2-O 3.26Å; F30-N120 HydrophobicContact CG-CB 4.25Å; F30-G121 WeakPolarHBondContact CZ-O 3.17Å
31T94.1Very high91.3Very high67 Ų6734.6 Ų34.641%0.41122%0.215SC..  trans-75.5113.3175-57.90000110.5K34 N120T31-K34 HydrophobicContact CG2-CG 4.13Å; T31-N120 VanDerWaalsContact O-CB 3.32Å; T31-N120 WeakPolarHBondContact O-CB 3.23Å; T31-N120 PolarHBondContact O-ND2 3.29Å
32T95.4Very high90.2Very high5 Ų540.2 Ų40.23%0.03124%0.239CC..  trans-69175.6171.257.40000111.5L24 D25 L28 F30 K34 F181L24-T32 HydrophobicContact CB-CG2 4.29Å; D25-T32 WeakPolarHBondContact OD1-CB 3.06Å; D25-T32 WeakPolarHBondContact OD1-CG2 3.27Å; D25-T32 PolarHBondContact OD1-N 2.99Å; D25-T32 PolarHBondContact OD1-OG1 3.42Å; L28-T32 HydrophobicContact CD1-CG2 3.44Å; L28-T32 VanDerWaalsContact CD1-CG2 3.44Å; F30-T32 HydrophobicContact CD2-CG2 4.41Å; F30-T32 HydrophobicContact CE2-CG2 3.93Å; F30-T32 PolarHBondContact O-N 2.81Å; T32-K34 PolarHBondContact O-NZ 3.26Å; T32-K34 PolarHBondContact OG1-NZ 3.08Å; T32-F181 HydrophobicContact CG2-CE1 4.03Å; T32-F181 HydrophobicContact CG2-CZ 4.28Å
33H93.7Very high89.1Confident43 Ų4341.2 Ų41.220%0.19924%0.244CC..  trans-48.2144.717861.1-137000112.6F161 F181H33-F161 HydrophobicContact CB-CD1 4.06Å; H33-F161 HydrophobicContact CB-CD2 4.28Å; H33-F161 HydrophobicContact CB-CE1 3.75Å; H33-F161 HydrophobicContact CB-CE2 3.99Å; H33-F161 HydrophobicContact CB-CG 4.33Å; H33-F161 HydrophobicContact CB-CZ 3.72Å; H33-F161 AromaticContact CD2-CE2 3.38Å; H33-F161 WeakPolarHBondContact CD2-CE2 3.22Å; H33-F161 AromaticContact CD2-CZ 3.46Å; H33-F161 VanDerWaalsContact CD2-CZ 3.46Å; H33-F161 WeakPolarHBondContact CD2-CZ 3.41Å; H33-F161 AromaticContact CE1-CD2 3.92Å; H33-F161 AromaticContact CE1-CE2 3.59Å; H33-F161 AromaticContact CG-CD2 3.86Å; H33-F161 AromaticContact CG-CE2 3.4Å; H33-F161 VanDerWaalsContact CG-CE2 3.4Å; H33-F161 AromaticContact CG-CZ 3.54Å; H33-F161 AromaticContact ND1-CD2 3.62Å; H33-F161 AromaticContact ND1-CE2 3.52Å; H33-F161 AromaticContact NE2-CE2 3.51Å; H33-F181 AromaticContact CD2-CZ 3.9Å; H33-F181 AromaticContact CE1-CD1 3.77Å; H33-F181 AromaticContact CE1-CE1 3.47Å; H33-F181 VanDerWaalsContact CE1-CE1 3.47Å; H33-F181 WeakPolarHBondContact CE1-CE1 3.35Å; H33-F181 AromaticContact CE1-CE2 3.79Å; H33-F181 AromaticContact CE1-CZ 3.48Å; H33-F181 VanDerWaalsContact CE1-CZ 3.48Å; H33-F181 WeakPolarHBondContact CE1-CZ 3.29Å; H33-F181 AromaticContact ND1-CE1 3.76Å; H33-F181 AromaticContact NE2-CE1 3.83Å; H33-F181 AromaticContact NE2-CE2 3.59Å; H33-F181 AromaticContact NE2-CZ 3.34Å; H33-F181 VanDerWaalsContact NE2-CZ 3.34Å; H33-F181 WeakPolarHBondContact NE2-CZ 3.35Å
34K95.3Very high87.7Confident37 Ų3750.6 Ų50.616%0.16128%0.279CS..  trans-137142177.2-62.9-65.2177-74.10109.9D17 T20 S21 D25 T31 T32 N36D17-K34 HydrophobicContact CB-CD 3.98Å; D17-K34 VanDerWaalsContact OD1-CA 3.23Å; D17-K34 WeakPolarHBondContact OD1-CA 3.26Å; D17-K34 WeakPolarHBondContact OD1-CD 3.45Å; T20-K34 WeakPolarHBondContact OG1-CE 3.3Å; T20-K34 PolarHBondContact OG1-NZ 3.34Å; T20-K34 VanDerWaalsContact OG1-NZ 3.11Å; S21-K34 WeakPolarHBondContact OG-CE 3.4Å; D25-K34 IonicContact OD1-NZ 3.31Å; D25-K34 PolarHBondContact OD1-NZ 2.9Å; D25-K34 VanDerWaalsContact OD1-NZ 3.14Å; D25-K34 WeakPolarHBondContact OD2-CE 3.42Å; D25-K34 IonicContact OD2-NZ 3.14Å; D25-K34 PolarHBondContact OD2-NZ 3.33Å; T31-K34 HydrophobicContact CG2-CG 4.13Å; T32-K34 PolarHBondContact O-NZ 3.26Å; T32-K34 PolarHBondContact OG1-NZ 3.08Å; K34-N36 HydrophobicContact CB-CB 4.26Å
35M95Very high86.9Confident0 Ų053.8 Ų53.80%029%0.291CS..  trans-70.7-37.1170.3-64.5-56.7-63.300110.9C13 D17 I37 L154 R155 N159 F161 L174 L176C13-M35 HydrophobicContact CB-CB 3.67Å; C13-M35 HydrophobicContact CB-CG 3.9Å; D17-M35 PolarHBondContact OD1-N 3.12Å; D17-M35 PolarHBondContact OD2-N 3.41Å; M35-I37 HydrophobicContact CB-CG2 4.06Å; M35-I37 WeakPolarHBondContact O-CG2 3.47Å; M35-I37 PolarHBondContact O-N 3.47Å; M35-L154 HydrophobicContact CE-CD2 3.81Å; M35-R155 PolarHBondContact O-NH2 3.41Å; M35-N159 HydrophobicContact CE-CB 4.05Å; M35-N159 WeakPolarHBondContact CE-O 3.07Å; M35-N159 WeakPolarHBondContact O-CB 3.45Å; M35-N159 PolarHBondContact O-ND2 2.8Å; M35-N159 HydrophobicContact SD-CB 4.09Å; M35-F161 HydrophobicContact CG-CZ 4.45Å; M35-F161 HydrophobicContact SD-CE1 3.84Å; M35-F161 HydrophobicContact SD-CE2 4.48Å; M35-F161 HydrophobicContact SD-CZ 3.59Å; M35-F161 VanDerWaalsContact SD-CZ 3.59Å; M35-L174 HydrophobicContact CE-CD1 3.8Å; M35-L174 HydrophobicContact CE-CD2 3.96Å; M35-L174 HydrophobicContact SD-CD1 4.1Å; M35-L176 HydrophobicContact CG-CD1 3.72Å; M35-L176 HydrophobicContact CG-CD2 4.28Å; M35-L176 HydrophobicContact SD-CD1 4.4Å; M35-L176 HydrophobicContact SD-CD2 4.15Å
36N93Very high86.5Confident90 Ų9057.8 Ų57.848%0.48131%0.306SS..  trans47.455.9174-168.516000112.7D17 K34 R155D17-N36 WeakPolarHBondContact OD2-CA 3.45Å; D17-N36 PolarHBondContact OD2-N 3.13Å; K34-N36 HydrophobicContact CB-CB 4.26Å; N36-R155 PolarHBondContact O-NH2 2.93Å
37I90.9Very high86.2Confident47 Ų4760.4 Ų60.424%0.24133%0.334CS..  trans-98.6-15.7-176.867.9160.7000112.3K10 C13 E14 M35 V153K10-I37 HydrophobicContact CB-CD1 4.26Å; K10-I37 HydrophobicContact CG-CD1 3.87Å; C13-I37 HydrophobicContact CB-CD1 3.42Å; C13-I37 VanDerWaalsContact CB-CD1 3.42Å; C13-I37 HydrophobicContact CB-CG1 3.84Å; C13-I37 HydrophobicContact CB-CG2 4.42Å; E14-I37 HydrophobicContact CG-CD1 4.19Å; E14-I37 HydrophobicContact CG-CG1 4.13Å; M35-I37 HydrophobicContact CB-CG2 4.06Å; M35-I37 WeakPolarHBondContact O-CG2 3.47Å; M35-I37 PolarHBondContact O-N 3.47Å; I37-V153 HydrophobicContact CB-CG1 4.12Å; I37-V153 HydrophobicContact CD1-CG1 3.9Å; I37-V153 HydrophobicContact CG2-CG1 3.4Å
38S85.5Confident86.1Confident33 Ų3361.3 Ų61.323%0.23134%0.342CS..SBendtrans-142.7149.3179.8-65.30000108.6E14 A40E14-S38 WeakPolarHBondContact OE1-CB 3.47Å; E14-S38 PolarHBondContact OE1-OG 3.18Å; S38-A40 PolarHBondContact O-N 3.09Å
39P79.4Confident86Confident121 Ų12159.6 Ų59.679%0.78633%0.333SS*.PPolyproline II helixtrans-64121.6177.325.4-31.8000110.2
40A73.4Confident86Confident61 Ų6162 Ų6250%0.50433%0.329SS..PPolyproline II helixtrans-85.9151.4175.800000110.8S38S38-A40 PolarHBondContact O-N 3.09Å
41P76.6Confident85.9Confident25 Ų2566.9 Ų66.916%0.16235%0.352CS..PPolyproline II helixtrans-62.1148.1170.230.1-36.8000109.6L18 I43 Y78L18-P41 HydrophobicContact CD2-CG 4.12Å; P41-I43 HydrophobicContact CG-CG1 4.34Å; P41-I43 PolarHBondContact O-N 3.41Å; P41-I43 VanDerWaalsContact O-N 3.09Å; P41-Y78 HydrophobicContact CB-CD1 4.26Å; P41-Y78 HydrophobicContact CB-CD2 4.38Å; P41-Y78 HydrophobicContact CB-CG 4.02Å; P41-Y78 HydrophobicContact CG-CD1 3.62Å; P41-Y78 HydrophobicContact CG-CD2 4.37Å; P41-Y78 HydrophobicContact CG-CE1 3.88Å; P41-Y78 HydrophobicContact CG-CG 3.89Å
42E71.6Confident86Confident137 Ų13764.2 Ų64.264%0.6434%0.336SS*.  trans-78.4101179.4-151.1179.4-168.400110.9R44E42-R44 HydrophobicContact CG-CG 3.81Å; E42-R44 PolarHBondContact O-N 3.06Å; E42-R44 VanDerWaalsContact O-N 3.14Å; E42-R44 IonicContact OE1-CZ 2.66Å; E42-R44 IonicContact OE1-NE 2.67Å; E42-R44 PolarHBondContact OE1-NE 2.89Å; E42-R44 IonicContact OE1-NH2 3.14Å; E42-R44 PolarHBondContact OE1-NH2 3.02Å; E42-R44 IonicContact OE2-CZ 2.62Å; E42-R44 IonicContact OE2-NE 3.89Å; E42-R44 PolarHBondContact OE2-NE 3.32Å; E42-R44 VanDerWaalsContact OE2-NE 3.14Å; E42-R44 IonicContact OE2-NH2 2.82Å; E42-R44 PolarHBondContact OE2-NH2 2.91Å
43I71.3Confident86Confident21 Ų2164 Ų6411%0.10833%0.334CS..  trans-88.675.6-178-50.7-176.1000109.6L22 P41 R45 L49 F79L22-I43 HydrophobicContact CD2-CD1 3.94Å; L22-I43 HydrophobicContact CG-CD1 4.24Å; P41-I43 HydrophobicContact CG-CG1 4.34Å; P41-I43 PolarHBondContact O-N 3.41Å; P41-I43 VanDerWaalsContact O-N 3.09Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 HydrophobicContact CG2-CG 4.14Å; I43-R45 PolarHBondContact O-N 2.96Å; I43-L49 HydrophobicContact CG2-CD1 3.5Å; I43-L49 VanDerWaalsContact CG2-CD1 3.5Å; I43-F79 HydrophobicContact CD1-CZ 4.4Å
44R66.3Low86Confident197 Ų19765.4 Ų65.474%0.74334%0.343SS*.  trans-82.69.9-178.1-65.7-163.9170-178.88.7115.5E42E42-R44 HydrophobicContact CG-CG 3.81Å; E42-R44 PolarHBondContact O-N 3.06Å; E42-R44 VanDerWaalsContact O-N 3.14Å; E42-R44 IonicContact OE1-CZ 2.66Å; E42-R44 IonicContact OE1-NE 2.67Å; E42-R44 PolarHBondContact OE1-NE 2.89Å; E42-R44 IonicContact OE1-NH2 3.14Å; E42-R44 PolarHBondContact OE1-NH2 3.02Å; E42-R44 IonicContact OE2-CZ 2.62Å; E42-R44 IonicContact OE2-NE 3.89Å; E42-R44 PolarHBondContact OE2-NE 3.32Å; E42-R44 VanDerWaalsContact OE2-NE 3.14Å; E42-R44 IonicContact OE2-NH2 2.82Å; E42-R44 PolarHBondContact OE2-NH2 2.91Å
45R80.3Confident86Confident68 Ų6869.1 Ų69.126%0.25736%0.356SS..  trans-106.142.1-168.856.9176.4-85.4177.5-20.6114.5I43 G47 V48 L49 A68 V71I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 HydrophobicContact CG2-CG 4.14Å; I43-R45 PolarHBondContact O-N 2.96Å; R45-G47 PolarHBondContact O-N 3.15Å; R45-V48 HydrophobicContact CB-CB 4.5Å; R45-V48 PolarHBondContact O-N 3.01Å; R45-L49 HydrophobicContact CG-CD1 4.25Å; R45-L49 HydrophobicContact CG-CG 4.13Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.48Å; R45-L49 VanDerWaalsContact O-N 3.07Å; R45-A68 PolarHBondContact NH2-O 3.34Å; R45-V71 PolarHBondContact NH1-O 3.48Å; R45-V71 PolarHBondContact NH2-O 3.39Å
46W87.4Confident86.1Confident86 Ų8669.1 Ų69.133%0.32636%0.356SS..Hα-helixtrans-58.1-33.7-175.7-72.15000113.9D25 P26 G29 L49 K50D25-W46 HydrophobicContact CB-CZ2 4Å; P26-W46 HydrophobicContact CB-CB 4.33Å; P26-W46 HydrophobicContact CB-CG 4.34Å; P26-W46 HydrophobicContact CG-CG 4.28Å; G29-W46 VanDerWaalsContact C-CZ3 3.43Å; G29-W46 WeakPolarHBondContact O-CZ3 3.18Å; W46-L49 PolarHBondContact O-N 2.9Å; W46-K50 WeakPolarHBondContact O-CB 3.16Å; W46-K50 PolarHBondContact O-N 3.27Å
47G87.6Confident86.1Confident59 Ų5968.9 Ų68.961%0.60835%0.352SS*.Hα-helixtrans-58.5-50.3175.300000112.9R45 K50 E51R45-G47 PolarHBondContact O-N 3.15Å; G47-K50 PolarHBondContact O-N 3.37Å; G47-E51 PolarHBondContact O-N 3.35Å
48V89.1Confident86.3Confident69 Ų6975.3 Ų75.342%0.41837%0.373SS..Hα-helixtrans-66.9-39.6179.3-179.50000111.5R45 E51 T52R45-V48 HydrophobicContact CB-CB 4.5Å; R45-V48 PolarHBondContact O-N 3.01Å; V48-E51 PolarHBondContact O-N 3.27Å; V48-T52 WeakPolarHBondContact O-CB 3.06Å; V48-T52 PolarHBondContact O-N 3.04Å; V48-T52 PolarHBondContact O-OG1 3.17Å
49L92.1Very high86.8Confident0 Ų077.4 Ų77.40%039%0.385CS..Hα-helixtrans-64.7-46176.8-63.6175.3000110.8L22 P26 I43 R45 W46 E51 T52 L53 L69L22-L49 HydrophobicContact CD2-CD1 4.47Å; L22-L49 HydrophobicContact CD2-CD2 4.19Å; P26-L49 HydrophobicContact CB-CB 4.05Å; P26-L49 HydrophobicContact CG-CB 3.84Å; P26-L49 HydrophobicContact CG-CD1 3.76Å; P26-L49 HydrophobicContact CG-CG 4.48Å; I43-L49 HydrophobicContact CG2-CD1 3.5Å; I43-L49 VanDerWaalsContact CG2-CD1 3.5Å; R45-L49 HydrophobicContact CG-CD1 4.25Å; R45-L49 HydrophobicContact CG-CG 4.13Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.48Å; R45-L49 VanDerWaalsContact O-N 3.07Å; W46-L49 PolarHBondContact O-N 2.9Å; L49-E51 VanDerWaalsContact C-N 3.34Å; L49-E51 PolarHBondContact O-N 3.28Å; L49-T52 WeakPolarHBondContact O-CB 3.48Å; L49-T52 PolarHBondContact O-N 2.8Å; L49-T52 VanDerWaalsContact O-N 3.12Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 3.08Å; L49-L69 HydrophobicContact CB-CD2 4.41Å; L49-L69 HydrophobicContact CD2-CD2 3.61Å
50K93.2Very high87.6Confident101 Ų10176.7 Ų76.744%0.43937%0.371SS..Hα-helixtrans-59.7-43.4177.3-172.5170.5-175.9168.10111.7W46 G47 T52 L53 L54W46-K50 WeakPolarHBondContact O-CB 3.16Å; W46-K50 PolarHBondContact O-N 3.27Å; G47-K50 PolarHBondContact O-N 3.37Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.49Å; K50-L53 PolarHBondContact O-N 3.25Å; K50-L54 HydrophobicContact CG-CD1 4.38Å; K50-L54 WeakPolarHBondContact O-CB 3.3Å; K50-L54 VanDerWaalsContact O-CG 3.27Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.36Å
51E93.6Very high88.7Confident138 Ų13877.3 Ų77.365%0.64537%0.365SS*.Hα-helixtrans-60.8-43174.5-172.6-178.3176.900112.1G47 V48 L49 L53 L54 R55G47-E51 PolarHBondContact O-N 3.35Å; V48-E51 PolarHBondContact O-N 3.27Å; L49-E51 VanDerWaalsContact C-N 3.34Å; L49-E51 PolarHBondContact O-N 3.28Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.19Å; E51-L54 PolarHBondContact O-N 3.37Å; E51-R55 PolarHBondContact O-N 2.96Å
52T95.1Very high89.7Confident11 Ų1178.7 Ų78.77%0.06737%0.369CS..Hα-helixtrans-60.6-43.3176.3-60.90000111.6V48 L49 K50 R55 F56 T65 A68 L69V48-T52 WeakPolarHBondContact O-CB 3.06Å; V48-T52 PolarHBondContact O-N 3.04Å; V48-T52 PolarHBondContact O-OG1 3.17Å; L49-T52 WeakPolarHBondContact O-CB 3.48Å; L49-T52 PolarHBondContact O-N 2.8Å; L49-T52 VanDerWaalsContact O-N 3.12Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.49Å; T52-R55 WeakPolarHBondContact O-CB 3.33Å; T52-R55 PolarHBondContact O-N 3.38Å; T52-F56 PolarHBondContact O-N 3.08Å; T52-T65 HydrophobicContact CG2-CG2 4.22Å; T52-A68 HydrophobicContact CG2-CB 3.65Å; T52-L69 HydrophobicContact CG2-CD2 3.97Å; T52-L69 HydrophobicContact CG2-CG 4.09Å
53L95.4Very high90.8Very high0 Ų076.4 Ų76.40%036%0.361CS..Hα-helixtrans-67.7-40.4177.4-64.5170.6000111.9V23 P26 L27 L49 K50 E51 R55 F56 Q57 L69 L98 L102V23-L53 HydrophobicContact CG1-CD2 4.12Å; V23-L53 HydrophobicContact CG2-CD2 4.47Å; V23-L53 WeakPolarHBondContact O-CD1 3.5Å; P26-L53 HydrophobicContact CB-CD1 4.41Å; L27-L53 HydrophobicContact CD1-CD1 4.15Å; L27-L53 HydrophobicContact CD2-CB 4.28Å; L27-L53 HydrophobicContact CD2-CD1 3.96Å; L27-L53 HydrophobicContact CG-CD1 3.75Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 3.08Å; K50-L53 PolarHBondContact O-N 3.25Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.19Å; L53-R55 VanDerWaalsContact C-N 3.28Å; L53-R55 PolarHBondContact O-N 3.19Å; L53-F56 WeakPolarHBondContact O-CB 3.28Å; L53-F56 PolarHBondContact O-N 3.4Å; L53-Q57 PolarHBondContact O-N 3.38Å; L53-L69 HydrophobicContact CD2-CD1 4.2Å; L53-L69 HydrophobicContact CD2-CD2 4.16Å; L53-L69 HydrophobicContact CG-CD2 4.32Å; L53-L98 HydrophobicContact CD2-CD2 3.52Å; L53-L102 HydrophobicContact CB-CD1 4.21Å
54L94.1Very high92Very high73 Ų7377.6 Ų77.638%0.38237%0.374SS..Hα-helixtrans-63.5-34.7173.5-70.8173.9000111.9K50 E51 R58K50-L54 HydrophobicContact CG-CD1 4.38Å; K50-L54 WeakPolarHBondContact O-CB 3.3Å; K50-L54 VanDerWaalsContact O-CG 3.27Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.36Å; E51-L54 PolarHBondContact O-N 3.37Å; L54-R58 PolarHBondContact O-NH1 3.34Å
55R95.3Very high93.4Very high114 Ų11468.2 Ų68.243%0.4334%0.339SS..Hα-helixtrans-66-42.5172.6-178.8175.762.5-171.1-1.1111.2E51 T52 L53 Q57 R58 T59E51-R55 PolarHBondContact O-N 2.96Å; T52-R55 WeakPolarHBondContact O-CB 3.33Å; T52-R55 PolarHBondContact O-N 3.38Å; L53-R55 VanDerWaalsContact C-N 3.28Å; L53-R55 PolarHBondContact O-N 3.19Å; R55-Q57 VanDerWaalsContact C-N 3.27Å; R55-Q57 PolarHBondContact O-N 3.16Å; R55-R58 PolarHBondContact O-N 3.25Å; R55-T59 HydrophobicContact CG-CG2 4.02Å; R55-T59 PolarHBondContact O-N 3.17Å; R55-T59 PolarHBondContact O-OG1 2.87Å
56F96.8Very high94.1Very high0 Ų065.2 Ų65.20%033%0.327CS..Hα-helixtrans-55.9-39.9176.1172.4-100.6000112.5T52 L53 R58 T59 H60 F62 T65 L98 L102 L103T52-F56 PolarHBondContact O-N 3.08Å; L53-F56 WeakPolarHBondContact O-CB 3.28Å; L53-F56 PolarHBondContact O-N 3.4Å; F56-R58 PolarHBondContact O-N 3.04Å; F56-T59 PolarHBondContact O-N 3.13Å; F56-H60 WeakPolarHBondContact O-CA 3.33Å; F56-H60 PolarHBondContact O-CD2 3.2Å; F56-H60 PolarHBondContact O-N 3.27Å; F56-F62 AromaticContact CE2-CD1 3.98Å; F56-F62 HydrophobicContact CE2-CD1 3.98Å; F56-F62 HydrophobicContact CE2-CD2 4Å; F56-F62 HydrophobicContact CE2-CE1 4.11Å; F56-F62 HydrophobicContact CE2-CE2 4.13Å; F56-F62 AromaticContact CE2-CG 3.94Å; F56-F62 HydrophobicContact CE2-CG 3.94Å; F56-F62 HydrophobicContact CE2-CZ 4.2Å; F56-F62 HydrophobicContact CZ-CD1 4.09Å; F56-F62 HydrophobicContact CZ-CD2 4.36Å; F56-F62 AromaticContact CZ-CE1 3.75Å; F56-F62 HydrophobicContact CZ-CE1 3.75Å; F56-F62 HydrophobicContact CZ-CE2 4.03Å; F56-F62 HydrophobicContact CZ-CG 4.4Å; F56-F62 AromaticContact CZ-CZ 3.73Å; F56-F62 HydrophobicContact CZ-CZ 3.73Å; F56-T65 HydrophobicContact CB-CG2 3.81Å; F56-T65 WeakPolarHBondContact CB-OG1 3.46Å; F56-T65 HydrophobicContact CD2-CG2 4.1Å; F56-T65 VanDerWaalsContact CD2-OG1 3.31Å; F56-T65 WeakPolarHBondContact CD2-OG1 3.44Å; F56-T65 HydrophobicContact CG-CG2 4.11Å; F56-L98 HydrophobicContact CD1-CB 4.42Å; F56-L98 HydrophobicContact CD1-CD2 4.02Å; F56-L98 HydrophobicContact CD2-CD1 4.4Å; F56-L98 HydrophobicContact CE1-CB 3.78Å; F56-L98 HydrophobicContact CE1-CD2 4.24Å; F56-L98 HydrophobicContact CE1-CG 4.42Å; F56-L98 HydrophobicContact CE2-CD1 4.23Å; F56-L98 HydrophobicContact CG-CD2 4.38Å; F56-L98 HydrophobicContact CZ-CB 3.85Å; F56-L98 HydrophobicContact CZ-CD1 4.33Å; F56-L102 HydrophobicContact CD1-CB 3.63Å; F56-L102 HydrophobicContact CD1-CG 4.18Å; F56-L102 HydrophobicContact CE1-CB 3.69Å; F56-L103 HydrophobicContact CE1-CD2 3.71Å; F56-L103 HydrophobicContact CE1-CG 4.07Å; F56-L103 HydrophobicContact CZ-CD2 3.87Å; F56-L103 HydrophobicContact CZ-CG 4.23Å
57Q93.9Very high94.4Very high86 Ų8665.1 Ų65.140%0.40233%0.331SS..Hα-helixtrans-59.7-19.6177-60.1-169.8-68.900114.1L53 R55 H60 L102L53-Q57 PolarHBondContact O-N 3.38Å; R55-Q57 VanDerWaalsContact C-N 3.27Å; R55-Q57 PolarHBondContact O-N 3.16Å; Q57-H60 PolarHBondContact O-NE2 3.5Å; Q57-L102 HydrophobicContact CG-CB 4.17Å; Q57-L102 HydrophobicContact CG-CD1 3.83Å; Q57-L102 WeakPolarHBondContact CG-O 3.46Å; Q57-L102 PolarHBondContact NE2-O 2.93Å
58R94.4Very high94.6Very high182 Ų18263.4 Ų63.469%0.68731%0.311SS*.Hα-helixtrans-98.5-37.5176.4-63-173.5-66.4-83.24.1112.6L54 R55 F56L54-R58 PolarHBondContact O-NH1 3.34Å; R55-R58 PolarHBondContact O-N 3.25Å; F56-R58 PolarHBondContact O-N 3.04Å
59T96.1Very high94.8Very high77 Ų7760.3 Ų60.347%0.47229%0.292SS..Hα-helixtrans-91.1-28.5-172.861.70000113.4R55 F56 D61R55-T59 HydrophobicContact CG-CG2 4.02Å; R55-T59 PolarHBondContact O-N 3.17Å; R55-T59 PolarHBondContact O-OG1 2.87Å; F56-T59 PolarHBondContact O-N 3.13Å; T59-D61 PolarHBondContact O-N 3.29Å; T59-D61 PolarHBondContact OG1-N 3.34Å
60H96.1Very high94.7Very high106 Ų10660.9 Ų60.949%0.49130%0.295SS..  trans51.522.2-168.9-56.5168.3000113.7F56 Q57 F62 L103F56-H60 WeakPolarHBondContact O-CA 3.33Å; F56-H60 PolarHBondContact O-CD2 3.2Å; F56-H60 PolarHBondContact O-N 3.27Å; Q57-H60 PolarHBondContact O-NE2 3.5Å; H60-F62 WeakPolarHBondContact O-CD2 3.42Å; H60-F62 PolarHBondContact O-N 3.02Å; H60-L103 WeakPolarHBondContact CD2-CD2 3.38Å
61D96.9Very high94.2Very high74 Ų7460.3 Ų60.340%0.39630%0.3SS..  trans-86.895.9179.5-171.5-23.2000109.7T59 N63 A64 T65T59-D61 PolarHBondContact O-N 3.29Å; T59-D61 PolarHBondContact OG1-N 3.34Å; D61-N63 PolarHBondContact OD1-N 3.14Å; D61-N63 VanDerWaalsContact OD1-N 3.11Å; D61-A64 HydrophobicContact CB-CB 4.13Å; D61-A64 PolarHBondContact OD1-N 2.88Å; D61-A64 VanDerWaalsContact OD2-CB 3.32Å; D61-A64 WeakPolarHBondContact OD2-CB 3.23Å; D61-T65 WeakPolarHBondContact O-CB 3.32Å; D61-T65 PolarHBondContact O-N 3.35Å; D61-T65 VanDerWaalsContact O-N 3.09Å; D61-T65 PolarHBondContact O-OG1 2.64Å
62F96.8Very high93.1Very high54 Ų5454.9 Ų54.924%0.23728%0.282CS..Hα-helixtrans-60.6-43.5179.8-77.6-90.2000112.8F56 H60 T65 F66 Y95 L98 S99 L103F56-F62 AromaticContact CE2-CD1 3.98Å; F56-F62 HydrophobicContact CE2-CD1 3.98Å; F56-F62 HydrophobicContact CE2-CD2 4Å; F56-F62 HydrophobicContact CE2-CE1 4.11Å; F56-F62 HydrophobicContact CE2-CE2 4.13Å; F56-F62 AromaticContact CE2-CG 3.94Å; F56-F62 HydrophobicContact CE2-CG 3.94Å; F56-F62 HydrophobicContact CE2-CZ 4.2Å; F56-F62 HydrophobicContact CZ-CD1 4.09Å; F56-F62 HydrophobicContact CZ-CD2 4.36Å; F56-F62 AromaticContact CZ-CE1 3.75Å; F56-F62 HydrophobicContact CZ-CE1 3.75Å; F56-F62 HydrophobicContact CZ-CE2 4.03Å; F56-F62 HydrophobicContact CZ-CG 4.4Å; F56-F62 AromaticContact CZ-CZ 3.73Å; F56-F62 HydrophobicContact CZ-CZ 3.73Å; H60-F62 WeakPolarHBondContact O-CD2 3.42Å; H60-F62 PolarHBondContact O-N 3.02Å; F62-T65 PolarHBondContact O-N 3.06Å; F62-F66 WeakPolarHBondContact O-CB 3.41Å; F62-F66 PolarHBondContact O-N 2.63Å; F62-Y95 HydrophobicContact CB-CD1 4.09Å; F62-Y95 HydrophobicContact CB-CD2 4.38Å; F62-Y95 HydrophobicContact CB-CE1 3.65Å; F62-Y95 HydrophobicContact CB-CE2 3.98Å; F62-Y95 HydrophobicContact CB-CG 4.44Å; F62-Y95 AromaticContact CD1-CD1 3.67Å; F62-Y95 HydrophobicContact CD1-CD1 3.67Å; F62-Y95 HydrophobicContact CD1-CD2 4.16Å; F62-Y95 HydrophobicContact CD1-CE1 4.14Å; F62-Y95 AromaticContact CD1-CG 3.69Å; F62-Y95 HydrophobicContact CD1-CG 3.69Å; F62-Y95 HydrophobicContact CE1-CG 4.4Å; F62-Y95 HydrophobicContact CG-CD1 4.36Å; F62-Y95 HydrophobicContact CG-CE1 4.4Å; F62-Y95 HydrophobicContact CG-CG 4.44Å; F62-Y95 WeakPolarHBondContact O-CE1 3.25Å; F62-L98 HydrophobicContact CD1-CB 4.4Å; F62-L98 HydrophobicContact CD1-CD1 4.17Å; F62-L98 HydrophobicContact CE1-CB 4.01Å; F62-S99 WeakPolarHBondContact CE1-OG 3.05Å; F62-S99 WeakPolarHBondContact CZ-OG 3.25Å; F62-L103 HydrophobicContact CE2-CD1 4.5Å; F62-L103 HydrophobicContact CZ-CD1 3.99Å
63N95.9Very high91.7Very high88 Ų8862.9 Ų62.947%0.47132%0.318SS..Hα-helixtrans-71.6-50.2-173.7-168.748000110.7D61 T65 F66 E67 Y95D61-N63 PolarHBondContact OD1-N 3.14Å; D61-N63 VanDerWaalsContact OD1-N 3.11Å; N63-T65 PolarHBondContact O-N 2.92Å; N63-F66 PolarHBondContact O-N 2.96Å; N63-E67 WeakPolarHBondContact O-CG 3.29Å; N63-E67 PolarHBondContact O-N 3.12Å; N63-Y95 WeakPolarHBondContact CA-OH 3.22Å; N63-Y95 PolarHBondContact N-OH 3.16Å
64A95.4Very high90.3Very high46 Ų4670.1 Ų70.138%0.3836%0.356SS..Hα-helixtrans-61.8-33.7177.400000112.1D61 A68D61-A64 HydrophobicContact CB-CB 4.13Å; D61-A64 PolarHBondContact OD1-N 2.88Å; D61-A64 VanDerWaalsContact OD2-CB 3.32Å; D61-A64 WeakPolarHBondContact OD2-CB 3.23Å; A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.37Å; A64-A68 PolarHBondContact O-N 3.46Å
65T96.3Very high89.2Confident1 Ų167.3 Ų67.31%0.00634%0.343CS..Hα-helixtrans-67.6-45.8175.6-61.10000111.3T52 F56 D61 F62 N63 A68 L69 L98T52-T65 HydrophobicContact CG2-CG2 4.22Å; F56-T65 HydrophobicContact CB-CG2 3.81Å; F56-T65 WeakPolarHBondContact CB-OG1 3.46Å; F56-T65 HydrophobicContact CD2-CG2 4.1Å; F56-T65 VanDerWaalsContact CD2-OG1 3.31Å; F56-T65 WeakPolarHBondContact CD2-OG1 3.44Å; F56-T65 HydrophobicContact CG-CG2 4.11Å; D61-T65 WeakPolarHBondContact O-CB 3.32Å; D61-T65 PolarHBondContact O-N 3.35Å; D61-T65 VanDerWaalsContact O-N 3.09Å; D61-T65 PolarHBondContact O-OG1 2.64Å; F62-T65 PolarHBondContact O-N 3.06Å; N63-T65 PolarHBondContact O-N 2.92Å; T65-A68 PolarHBondContact O-N 3.25Å; T65-L69 HydrophobicContact CG2-CD1 3.97Å; T65-L69 HydrophobicContact CG2-CG 4.3Å; T65-L69 VanDerWaalsContact O-CG 3.24Å; T65-L69 WeakPolarHBondContact O-CG 3.47Å; T65-L69 PolarHBondContact O-N 3.46Å; T65-L98 HydrophobicContact CG2-CD1 3.9Å; T65-L98 HydrophobicContact CG2-CD2 4.33Å
66F95.5Very high88.4Confident4 Ų462.1 Ų62.12%0.01833%0.325CS..Hα-helixtrans-59-50.4177.3178.6-100.7000111.8F62 N63 A68 L69 T70 L90 R91 V94 Y95F62-F66 WeakPolarHBondContact O-CB 3.41Å; F62-F66 PolarHBondContact O-N 2.63Å; N63-F66 PolarHBondContact O-N 2.96Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-A68 PolarHBondContact O-N 2.78Å; F66-L69 PolarHBondContact O-N 3.1Å; F66-L69 VanDerWaalsContact O-N 3.08Å; F66-T70 HydrophobicContact CD2-CG2 4.38Å; F66-T70 HydrophobicContact CE1-CG2 4.27Å; F66-T70 HydrophobicContact CE2-CG2 3.91Å; F66-T70 HydrophobicContact CZ-CG2 3.86Å; F66-T70 PolarHBondContact O-N 2.99Å; F66-T70 PolarHBondContact O-OG1 3.45Å; F66-L90 HydrophobicContact CE2-CB 4.48Å; F66-L90 HydrophobicContact CE2-CD2 4.33Å; F66-L90 HydrophobicContact CE2-CG 4.03Å; F66-L90 HydrophobicContact CZ-CD2 4.44Å; F66-L90 HydrophobicContact CZ-CG 4.41Å; F66-R91 HydrophobicContact CD1-CB 4.21Å; F66-R91 HydrophobicContact CD1-CG 3.95Å; F66-R91 HydrophobicContact CD2-CB 4.09Å; F66-R91 HydrophobicContact CD2-CG 4.15Å; F66-R91 HydrophobicContact CE1-CB 3.92Å; F66-R91 HydrophobicContact CE1-CG 4.16Å; F66-R91 HydrophobicContact CE2-CB 3.81Å; F66-R91 HydrophobicContact CE2-CG 4.35Å; F66-R91 HydrophobicContact CG-CB 4.28Å; F66-R91 HydrophobicContact CG-CG 3.93Å; F66-R91 HydrophobicContact CZ-CB 3.7Å; F66-R91 HydrophobicContact CZ-CG 4.34Å; F66-V94 HydrophobicContact CD2-CB 4.1Å; F66-V94 HydrophobicContact CD2-CG1 4.15Å; F66-V94 HydrophobicContact CD2-CG2 4.23Å; F66-V94 HydrophobicContact CE2-CB 4.46Å; F66-V94 HydrophobicContact CE2-CG2 4.21Å; F66-Y95 HydrophobicContact CB-CE1 3.96Å
67E92.9Very high87.7Confident85 Ų8567.4 Ų67.440%0.39735%0.353SS..Hα-helixtrans-56.2-44.7177.1-65.9-58.8148.600111.3N63 L69 T70 V71N63-E67 WeakPolarHBondContact O-CG 3.29Å; N63-E67 PolarHBondContact O-N 3.12Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.31Å; E67-T70 PolarHBondContact O-N 3.2Å; E67-T70 PolarHBondContact O-OG1 3.47Å; E67-V71 WeakPolarHBondContact O-CB 3.2Å; E67-V71 WeakPolarHBondContact O-CG2 3.28Å; E67-V71 PolarHBondContact O-N 3.13Å
68A92.3Very high87.3Confident23 Ų2366.3 Ų66.319%0.1935%0.346CS..Hα-helixtrans-66.5-32178.100000114R45 T52 A64 T65 F66 T70R45-A68 PolarHBondContact NH2-O 3.34Å; T52-A68 HydrophobicContact CG2-CB 3.65Å; A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.37Å; A64-A68 PolarHBondContact O-N 3.46Å; T65-A68 PolarHBondContact O-N 3.25Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-A68 PolarHBondContact O-N 2.78Å; A68-T70 VanDerWaalsContact C-N 3.35Å
69L91.9Very high86.9Confident3 Ų357.8 Ų57.82%0.01631%0.314CS..Hα-helixtrans-70.9-31.6175.4-70.8172.6000111.6L22 V23 L49 T52 L53 T65 F66 E67 V94L22-L69 HydrophobicContact CD2-CB 4.41Å; L22-L69 WeakPolarHBondContact CD2-O 3.44Å; V23-L69 HydrophobicContact CG2-CD1 4.28Å; L49-L69 HydrophobicContact CB-CD2 4.41Å; L49-L69 HydrophobicContact CD2-CD2 3.61Å; T52-L69 HydrophobicContact CG2-CD2 3.97Å; T52-L69 HydrophobicContact CG2-CG 4.09Å; L53-L69 HydrophobicContact CD2-CD1 4.2Å; L53-L69 HydrophobicContact CD2-CD2 4.16Å; L53-L69 HydrophobicContact CG-CD2 4.32Å; T65-L69 HydrophobicContact CG2-CD1 3.97Å; T65-L69 HydrophobicContact CG2-CG 4.3Å; T65-L69 VanDerWaalsContact O-CG 3.24Å; T65-L69 WeakPolarHBondContact O-CG 3.47Å; T65-L69 PolarHBondContact O-N 3.46Å; F66-L69 PolarHBondContact O-N 3.1Å; F66-L69 VanDerWaalsContact O-N 3.08Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.31Å; L69-V94 HydrophobicContact CD1-CG1 3.99Å
70T89.9Confident86.4Confident13 Ų1359.7 Ų59.78%0.0832%0.321CS..Hα-helixtrans-98-5.9-175.955.10000114.7L22 F66 E67 A68 G76 F79L22-T70 HydrophobicContact CD1-CG2 4.3Å; F66-T70 HydrophobicContact CD2-CG2 4.38Å; F66-T70 HydrophobicContact CE1-CG2 4.27Å; F66-T70 HydrophobicContact CE2-CG2 3.91Å; F66-T70 HydrophobicContact CZ-CG2 3.86Å; F66-T70 PolarHBondContact O-N 2.99Å; F66-T70 PolarHBondContact O-OG1 3.45Å; E67-T70 PolarHBondContact O-N 3.2Å; E67-T70 PolarHBondContact O-OG1 3.47Å; A68-T70 VanDerWaalsContact C-N 3.35Å; T70-G76 WeakPolarHBondContact O-CA 3.33Å; T70-F79 HydrophobicContact CG2-CD1 4.08Å; T70-F79 HydrophobicContact CG2-CD2 4.18Å; T70-F79 HydrophobicContact CG2-CE1 4.37Å; T70-F79 HydrophobicContact CG2-CE2 4.47Å; T70-F79 HydrophobicContact CG2-CG 4.02Å; T70-F79 WeakPolarHBondContact O-CD2 3.33Å
71V83.2Confident86Confident88 Ų8858.7 Ų58.753%0.53333%0.331SS..  trans-89.8136.9176.5167.30000111.8R45 E67R45-V71 PolarHBondContact NH1-O 3.48Å; R45-V71 PolarHBondContact NH2-O 3.39Å; E67-V71 WeakPolarHBondContact O-CB 3.2Å; E67-V71 WeakPolarHBondContact O-CG2 3.28Å; E67-V71 PolarHBondContact O-N 3.13Å
72G70.3Confident85.5Confident25 Ų2556 Ų5626%0.25832%0.317SS..SBendtrans161.9161.9173.500000110.8G76G72-G76 WeakPolarHBondContact O-CA 3.17Å; G72-G76 PolarHBondContact O-N 3.39Å
73E65.8Low85.2Confident178 Ų17855.1 Ų55.183%0.83232%0.323SS*.Hα-helixtrans-55.6-72.5-172-66.5-178.6-179.700113.1D77E73-D77 PolarHBondContact O-N 2.87Å
74L65.8Low84.9Confident153 Ų15355.7 Ų55.780%0.80133%0.334SS*.Hα-helixtrans-75-33.6-177.4-65.2174.1000114
75A71.7Confident84.8Confident14 Ų1457.8 Ų57.812%0.11634%0.335CS..Hα-helixtrans-76.8-36.9-178.900000111.9Y78 F79A75-Y78 WeakPolarHBondContact O-CB 3.46Å; A75-Y78 PolarHBondContact O-N 3.46Å; A75-F79 HydrophobicContact CB-CD2 4.38Å; A75-F79 HydrophobicContact CB-CE2 4.08Å; A75-F79 WeakPolarHBondContact O-CD2 3.34Å; A75-F79 PolarHBondContact O-N 3.23Å
76G77.9Confident84.6Confident4 Ų460.5 Ų60.54%0.04135%0.345CS..Hα-helixtrans-66.8-39.6-179.400000112.2T70 G72 Y78 F79 N80T70-G76 WeakPolarHBondContact O-CA 3.33Å; G72-G76 WeakPolarHBondContact O-CA 3.17Å; G72-G76 PolarHBondContact O-N 3.39Å; G76-Y78 VanDerWaalsContact C-N 3.3Å; G76-Y78 PolarHBondContact O-N 2.89Å; G76-F79 PolarHBondContact O-N 3.33Å; G76-N80 VanDerWaalsContact O-CB 3.29Å; G76-N80 WeakPolarHBondContact O-CB 3.37Å; G76-N80 PolarHBondContact O-N 3.32Å; G76-N80 PolarHBondContact O-ND2 3.29Å; G76-N80 VanDerWaalsContact O-ND2 3.15Å
77D82.5Confident84.5Confident111 Ų11162.6 Ų62.659%0.59436%0.355SS*.Hα-helixtrans-59-42.7174-71.4-15.7000111.8E73 N80 A81E73-D77 PolarHBondContact O-N 2.87Å; D77-N80 PolarHBondContact O-N 3.36Å; D77-A81 WeakPolarHBondContact O-CB 3.26Å; D77-A81 PolarHBondContact O-N 2.83Å
78Y85.6Confident84.5Confident63 Ų6362 Ų6225%0.24735%0.353CS..Hα-helixtrans-61-49.6174176.6-90.2000111.7L18 P41 A75 G76 N80 A81 L82L18-Y78 HydrophobicContact CD1-CE1 4.01Å; L18-Y78 HydrophobicContact CD2-CE1 3.93Å; P41-Y78 HydrophobicContact CB-CD1 4.26Å; P41-Y78 HydrophobicContact CB-CD2 4.38Å; P41-Y78 HydrophobicContact CB-CG 4.02Å; P41-Y78 HydrophobicContact CG-CD1 3.62Å; P41-Y78 HydrophobicContact CG-CD2 4.37Å; P41-Y78 HydrophobicContact CG-CE1 3.88Å; P41-Y78 HydrophobicContact CG-CG 3.89Å; A75-Y78 WeakPolarHBondContact O-CB 3.46Å; A75-Y78 PolarHBondContact O-N 3.46Å; G76-Y78 VanDerWaalsContact C-N 3.3Å; G76-Y78 PolarHBondContact O-N 2.89Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.42Å; Y78-A81 PolarHBondContact O-N 3.33Å; Y78-L82 HydrophobicContact CD1-CG 4.43Å; Y78-L82 HydrophobicContact CE1-CD1 4.16Å; Y78-L82 HydrophobicContact CE1-CD2 3.81Å; Y78-L82 HydrophobicContact CE1-CG 4.1Å; Y78-L82 PolarHBondContact O-N 3.45Å
79F86.1Confident84.6Confident4 Ų461 Ų612%0.01834%0.344CS..Hα-helixtrans-65.3-36.1-178.9-69.6-63000112.2L18 L22 I43 T70 A75 G76 A81 L82 Q87 L90L18-F79 HydrophobicContact CD1-CE1 4.35Å; L18-F79 HydrophobicContact CD2-CE1 4.1Å; L18-F79 HydrophobicContact CD2-CZ 4.35Å; L22-F79 HydrophobicContact CD1-CE1 4.17Å; L22-F79 HydrophobicContact CD1-CZ 3.89Å; L22-F79 HydrophobicContact CD2-CE2 4.36Å; L22-F79 HydrophobicContact CD2-CZ 4.08Å; L22-F79 HydrophobicContact CG-CZ 4.3Å; I43-F79 HydrophobicContact CD1-CZ 4.4Å; T70-F79 HydrophobicContact CG2-CD1 4.08Å; T70-F79 HydrophobicContact CG2-CD2 4.18Å; T70-F79 HydrophobicContact CG2-CE1 4.37Å; T70-F79 HydrophobicContact CG2-CE2 4.47Å; T70-F79 HydrophobicContact CG2-CG 4.02Å; T70-F79 WeakPolarHBondContact O-CD2 3.33Å; A75-F79 HydrophobicContact CB-CD2 4.38Å; A75-F79 HydrophobicContact CB-CE2 4.08Å; A75-F79 WeakPolarHBondContact O-CD2 3.34Å; A75-F79 PolarHBondContact O-N 3.23Å; G76-F79 PolarHBondContact O-N 3.33Å; F79-A81 VanDerWaalsContact C-N 3.32Å; F79-L82 HydrophobicContact CD1-CD1 3.69Å; F79-L82 HydrophobicContact CE1-CD1 4.42Å; F79-L82 WeakPolarHBondContact O-CB 3.41Å; F79-L82 PolarHBondContact O-N 3.3Å; F79-Q87 PolarHBondContact O-NE2 3.34Å; F79-L90 HydrophobicContact CD1-CD2 3.76Å; F79-L90 HydrophobicContact CE1-CD2 3.61Å
80N85.4Confident84.8Confident116 Ų11661 Ų6162%0.6234%0.344SS*.Hα-helixtrans-65.2-36.4174.5-70.9-26000111.7G76 D77 Y78 L82G76-N80 VanDerWaalsContact O-CB 3.29Å; G76-N80 WeakPolarHBondContact O-CB 3.37Å; G76-N80 PolarHBondContact O-N 3.32Å; G76-N80 PolarHBondContact O-ND2 3.29Å; G76-N80 VanDerWaalsContact O-ND2 3.15Å; D77-N80 PolarHBondContact O-N 3.36Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.42Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3.07Å
81A88.1Confident85.1Confident85 Ų8562.2 Ų62.270%0.70235%0.347SS*.Hα-helixtrans-76.1-12.6178.500000114.6D77 Y78 F79 G83D77-A81 WeakPolarHBondContact O-CB 3.26Å; D77-A81 PolarHBondContact O-N 2.83Å; Y78-A81 PolarHBondContact O-N 3.33Å; F79-A81 VanDerWaalsContact C-N 3.32Å; A81-G83 PolarHBondContact O-N 3.42Å; A81-G83 VanDerWaalsContact O-N 3.16Å
82L85.9Confident85.7Confident18 Ų1859.5 Ų59.59%0.09433%0.329CS..THydrogen-bonded Turntrans-61.9-22.8-179.5-75.1177000113.7L18 Y78 F79 N80 R86 Q87 L90L18-L82 HydrophobicContact CD1-CD1 4.34Å; Y78-L82 HydrophobicContact CD1-CG 4.43Å; Y78-L82 HydrophobicContact CE1-CD1 4.16Å; Y78-L82 HydrophobicContact CE1-CD2 3.81Å; Y78-L82 HydrophobicContact CE1-CG 4.1Å; Y78-L82 PolarHBondContact O-N 3.45Å; F79-L82 HydrophobicContact CD1-CD1 3.69Å; F79-L82 HydrophobicContact CE1-CD1 4.42Å; F79-L82 WeakPolarHBondContact O-CB 3.41Å; F79-L82 PolarHBondContact O-N 3.3Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3.07Å; L82-R86 HydrophobicContact CB-CB 4.05Å; L82-R86 WeakPolarHBondContact O-CB 3.24Å; L82-R86 WeakPolarHBondContact O-CD 3.33Å; L82-Q87 HydrophobicContact CB-CG 4.17Å; L82-L90 HydrophobicContact CD1-CD2 4.26Å
83G90.3Very high86.9Confident35 Ų3558.3 Ų58.336%0.36132%0.316SS..Hα-helixtrans77.8159-172.200000113A81 H85 R86 Q87A81-G83 PolarHBondContact O-N 3.42Å; A81-G83 VanDerWaalsContact O-N 3.16Å; G83-H85 PolarHBondContact O-N 3.29Å; G83-R86 PolarHBondContact O-N 2.96Å; G83-Q87 WeakPolarHBondContact O-CG 3.26Å; G83-Q87 PolarHBondContact O-N 3.35Å
84S90.9Very high88.4Confident101 Ų10149.9 Ų49.971%0.70628%0.277SS*.Hα-helixtrans-59.2-41.4-170.155.90000114E88S84-E88 PolarHBondContact O-N 2.93Å
85H92.3Very high89.9Confident89 Ų8945.4 Ų45.441%0.41225%0.25SC..Hα-helixtrans-61.7-51.5179171.966.5000112.1E11 G83 Q87 E88 L89E11-H85 IonicContact OE1-CD2 2.61Å; E11-H85 IonicContact OE1-CE1 3.71Å; E11-H85 IonicContact OE1-NE2 3.09Å; E11-H85 PolarHBondContact OE1-NE2 2.92Å; G83-H85 PolarHBondContact O-N 3.29Å; H85-Q87 VanDerWaalsContact C-N 3.35Å; H85-Q87 PolarHBondContact O-N 2.84Å; H85-E88 PolarHBondContact O-N 2.7Å; H85-L89 WeakPolarHBondContact O-CG 3.36Å; H85-L89 PolarHBondContact O-N 2.87Å
86R92.1Very high91.1Very high58 Ų5845.7 Ų45.722%0.21925%0.248CC..Hα-helixtrans-68.4-34.7-179.4-65.6-170.365.4-164.40.1112.4E14 L82 G83 E88 L89 L90E14-R86 IonicContact OE2-CZ 2.64Å; E14-R86 VanDerWaalsContact OE2-CZ 3.24Å; E14-R86 IonicContact OE2-NH1 2.71Å; E14-R86 IonicContact OE2-NH2 3.14Å; E14-R86 PolarHBondContact OE2-NH2 2.88Å; L82-R86 HydrophobicContact CB-CB 4.05Å; L82-R86 WeakPolarHBondContact O-CB 3.24Å; L82-R86 WeakPolarHBondContact O-CD 3.33Å; G83-R86 PolarHBondContact O-N 2.96Å; R86-E88 VanDerWaalsContact C-N 3.33Å; R86-L89 PolarHBondContact O-N 3.14Å; R86-L90 WeakPolarHBondContact O-CB 2.96Å; R86-L90 PolarHBondContact O-N 2.73Å
87Q93.3Very high92.1Very high48 Ų4845.5 Ų45.522%0.22425%0.246CC..Hα-helixtrans-61.2-41.8172.5-76.7-175.6-9.800111.7F79 L82 G83 H85 L90 R91F79-Q87 PolarHBondContact O-NE2 3.34Å; L82-Q87 HydrophobicContact CB-CG 4.17Å; G83-Q87 WeakPolarHBondContact O-CG 3.26Å; G83-Q87 PolarHBondContact O-N 3.35Å; H85-Q87 VanDerWaalsContact C-N 3.35Å; H85-Q87 PolarHBondContact O-N 2.84Å; Q87-L90 PolarHBondContact O-N 2.64Å; Q87-R91 WeakPolarHBondContact O-CB 3.39Å; Q87-R91 PolarHBondContact O-N 3.41Å
88E93.8Very high92.8Very high74 Ų7440.2 Ų40.235%0.34622%0.218SC..Hα-helixtrans-65.9-41.9176179.757.7-15300112.3S84 H85 R86 L90 R91 Q92S84-E88 PolarHBondContact O-N 2.93Å; H85-E88 PolarHBondContact O-N 2.7Å; R86-E88 VanDerWaalsContact C-N 3.33Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 3.31Å; E88-R91 VanDerWaalsContact CA-NH1 3.35Å; E88-R91 PolarHBondContact O-N 3.39Å; E88-R91 IonicContact OE2-CZ 3.65Å; E88-R91 IonicContact OE2-NH1 2.68Å; E88-R91 PolarHBondContact OE2-NH1 3.38Å; E88-Q92 WeakPolarHBondContact O-CG 3.33Å; E88-Q92 PolarHBondContact O-N 3.38Å; E88-Q92 WeakPolarHBondContact OE1-CG 3.29Å; E88-Q92 PolarHBondContact OE1-NE2 3.32Å
89L94.6Very high93.3Very high2 Ų238.9 Ų38.91%0.0122%0.217CC..Hα-helixtrans-57.8-46.4173.1-66.5-175.3000111.5M7 E11 H85 R86 H93M7-L89 HydrophobicContact CE-CB 3.95Å; M7-L89 HydrophobicContact CE-CD2 3.86Å; M7-L89 HydrophobicContact CE-CG 4.36Å; M7-L89 HydrophobicContact CG-CD1 4.09Å; M7-L89 HydrophobicContact CG-CD2 3.97Å; E11-L89 HydrophobicContact CB-CD1 4.14Å; E11-L89 HydrophobicContact CG-CD1 4.19Å; H85-L89 WeakPolarHBondContact O-CG 3.36Å; H85-L89 PolarHBondContact O-N 2.87Å; R86-L89 PolarHBondContact O-N 3.14Å; L89-H93 WeakPolarHBondContact O-CB 3.15Å; L89-H93 PolarHBondContact O-N 3.32Å
90L95.6Very high93.8Very high2 Ų238.7 Ų38.71%0.0122%0.217CC..Hα-helixtrans-63.4-45.4177.2-176.363.5000112.3T15 L18 A19 L22 F66 F79 L82 R86 Q87 E88 Q92 H93 V94T15-L90 HydrophobicContact CG2-CB 4.35Å; T15-L90 HydrophobicContact CG2-CD1 4.14Å; L18-L90 HydrophobicContact CB-CD1 3.64Å; L18-L90 HydrophobicContact CB-CD2 4.47Å; L18-L90 HydrophobicContact CD1-CD1 4.45Å; L18-L90 HydrophobicContact CD1-CD2 4.33Å; A19-L90 HydrophobicContact CB-CD1 4.22Å; L22-L90 HydrophobicContact CD1-CD2 4.46Å; F66-L90 HydrophobicContact CE2-CB 4.48Å; F66-L90 HydrophobicContact CE2-CD2 4.33Å; F66-L90 HydrophobicContact CE2-CG 4.03Å; F66-L90 HydrophobicContact CZ-CD2 4.44Å; F66-L90 HydrophobicContact CZ-CG 4.41Å; F79-L90 HydrophobicContact CD1-CD2 3.76Å; F79-L90 HydrophobicContact CE1-CD2 3.61Å; L82-L90 HydrophobicContact CD1-CD2 4.26Å; R86-L90 WeakPolarHBondContact O-CB 2.96Å; R86-L90 PolarHBondContact O-N 2.73Å; Q87-L90 PolarHBondContact O-N 2.64Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 3.31Å; L90-Q92 PolarHBondContact O-N 3.31Å; L90-H93 PolarHBondContact O-N 3.2Å; L90-H93 VanDerWaalsContact O-N 3.1Å; L90-V94 HydrophobicContact CD1-CG2 4.12Å; L90-V94 HydrophobicContact CG-CG2 4.27Å; L90-V94 WeakPolarHBondContact O-CB 3.45Å; L90-V94 WeakPolarHBondContact O-CG2 3.32Å; L90-V94 PolarHBondContact O-N 3.32Å
91R96.2Very high94.4Very high39 Ų3934.2 Ų34.215%0.14719%0.192CC..Hα-helixtrans-55.4-52.2177-173.9-177.4-62.5101.95111.5F66 Q87 E88 H93 V94 Y95F66-R91 HydrophobicContact CD1-CB 4.21Å; F66-R91 HydrophobicContact CD1-CG 3.95Å; F66-R91 HydrophobicContact CD2-CB 4.09Å; F66-R91 HydrophobicContact CD2-CG 4.15Å; F66-R91 HydrophobicContact CE1-CB 3.92Å; F66-R91 HydrophobicContact CE1-CG 4.16Å; F66-R91 HydrophobicContact CE2-CB 3.81Å; F66-R91 HydrophobicContact CE2-CG 4.35Å; F66-R91 HydrophobicContact CG-CB 4.28Å; F66-R91 HydrophobicContact CG-CG 3.93Å; F66-R91 HydrophobicContact CZ-CB 3.7Å; F66-R91 HydrophobicContact CZ-CG 4.34Å; Q87-R91 WeakPolarHBondContact O-CB 3.39Å; Q87-R91 PolarHBondContact O-N 3.41Å; E88-R91 VanDerWaalsContact CA-NH1 3.35Å; E88-R91 PolarHBondContact O-N 3.39Å; E88-R91 IonicContact OE2-CZ 3.65Å; E88-R91 IonicContact OE2-NH1 2.68Å; E88-R91 PolarHBondContact OE2-NH1 3.38Å; R91-H93 VanDerWaalsContact C-N 3.26Å; R91-H93 PolarHBondContact O-N 3.17Å; R91-V94 PolarHBondContact O-N 3.45Å; R91-Y95 HydrophobicContact CG-CD1 4.46Å; R91-Y95 HydrophobicContact CG-CE1 3.81Å; R91-Y95 HydrophobicContact CG-CE2 4.07Å; R91-Y95 WeakPolarHBondContact O-CD1 3.32Å; R91-Y95 VanDerWaalsContact O-CG 3.28Å; R91-Y95 PolarHBondContact O-N 3.07Å
92Q95.3Very high94.6Very high31 Ų3130.6 Ų30.615%0.14516%0.16CC..Hα-helixtrans-60.7-37.4177.2-67.6-179.910.500112.2G3 E88 L90 R96G3-Q92 PolarHBondContact O-NE2 2.91Å; G3-Q92 VanDerWaalsContact O-NE2 3.15Å; E88-Q92 WeakPolarHBondContact O-CG 3.33Å; E88-Q92 PolarHBondContact O-N 3.38Å; E88-Q92 WeakPolarHBondContact OE1-CG 3.29Å; E88-Q92 PolarHBondContact OE1-NE2 3.32Å; L90-Q92 PolarHBondContact O-N 3.31Å; Q92-R96 WeakPolarHBondContact O-CG 3.47Å; Q92-R96 PolarHBondContact O-N 2.75Å; Q92-R96 PolarHBondContact O-NH1 2.96Å
93H96.5Very high95Very high0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-73.5-41.1-178.9-146.374.4000112.5T15 D16 A19 L89 L90 R91 Y95 R96 Y97T15-H93 HydrophobicContact CG2-CB 3.49Å; T15-H93 VanDerWaalsContact CG2-CB 3.49Å; D16-H93 IonicContact OD1-CD2 2.95Å; D16-H93 IonicContact OD1-NE2 2.96Å; D16-H93 PolarHBondContact OD1-NE2 2.67Å; A19-H93 HydrophobicContact CB-CB 4.45Å; L89-H93 WeakPolarHBondContact O-CB 3.15Å; L89-H93 PolarHBondContact O-N 3.32Å; L90-H93 PolarHBondContact O-N 3.2Å; L90-H93 VanDerWaalsContact O-N 3.1Å; R91-H93 VanDerWaalsContact C-N 3.26Å; R91-H93 PolarHBondContact O-N 3.17Å; H93-Y95 VanDerWaalsContact C-N 3.3Å; H93-Y95 PolarHBondContact O-N 2.59Å; H93-R96 PolarHBondContact ND1-NH1 3.32Å; H93-R96 WeakPolarHBondContact O-CB 2.83Å; H93-R96 PolarHBondContact O-N 3.08Å; H93-R96 VanDerWaalsContact O-N 3.16Å; H93-Y97 AromaticContact CD2-CE2 3.59Å; H93-Y97 AromaticContact NE2-CE2 3.69Å; H93-Y97 WeakPolarHBondContact O-CD2 3.23Å; H93-Y97 PolarHBondContact O-N 3.12Å
94V97.4Very high95.1Very high0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-57.8-43.2170.4167.90000110.6A19 L22 V23 F66 L69 L90 R91 R96 Y97 L98A19-V94 HydrophobicContact CB-CG2 4.04Å; L22-V94 HydrophobicContact CD1-CG2 4.44Å; V23-V94 HydrophobicContact CG2-CG1 3.95Å; F66-V94 HydrophobicContact CD2-CB 4.1Å; F66-V94 HydrophobicContact CD2-CG1 4.15Å; F66-V94 HydrophobicContact CD2-CG2 4.23Å; F66-V94 HydrophobicContact CE2-CB 4.46Å; F66-V94 HydrophobicContact CE2-CG2 4.21Å; L69-V94 HydrophobicContact CD1-CG1 3.99Å; L90-V94 HydrophobicContact CD1-CG2 4.12Å; L90-V94 HydrophobicContact CG-CG2 4.27Å; L90-V94 WeakPolarHBondContact O-CB 3.45Å; L90-V94 WeakPolarHBondContact O-CG2 3.32Å; L90-V94 PolarHBondContact O-N 3.32Å; R91-V94 PolarHBondContact O-N 3.45Å; V94-R96 PolarHBondContact O-N 3.25Å; V94-Y97 PolarHBondContact O-N 3.17Å; V94-Y97 VanDerWaalsContact O-N 3.09Å; V94-L98 HydrophobicContact CG1-CD1 3.85Å; V94-L98 HydrophobicContact CG1-CG 4.05Å; V94-L98 WeakPolarHBondContact O-CG 3.35Å; V94-L98 PolarHBondContact O-N 3.29Å
95Y97.4Very high95.3Very high59 Ų5933.7 Ų33.723%0.23116%0.162CC..Hα-helixtrans-60.8-33.1178.5-71.35.7000113F62 N63 F66 R91 H93 L98 S99F62-Y95 HydrophobicContact CB-CD1 4.09Å; F62-Y95 HydrophobicContact CB-CD2 4.38Å; F62-Y95 HydrophobicContact CB-CE1 3.65Å; F62-Y95 HydrophobicContact CB-CE2 3.98Å; F62-Y95 HydrophobicContact CB-CG 4.44Å; F62-Y95 AromaticContact CD1-CD1 3.67Å; F62-Y95 HydrophobicContact CD1-CD1 3.67Å; F62-Y95 HydrophobicContact CD1-CD2 4.16Å; F62-Y95 HydrophobicContact CD1-CE1 4.14Å; F62-Y95 AromaticContact CD1-CG 3.69Å; F62-Y95 HydrophobicContact CD1-CG 3.69Å; F62-Y95 HydrophobicContact CE1-CG 4.4Å; F62-Y95 HydrophobicContact CG-CD1 4.36Å; F62-Y95 HydrophobicContact CG-CE1 4.4Å; F62-Y95 HydrophobicContact CG-CG 4.44Å; F62-Y95 WeakPolarHBondContact O-CE1 3.25Å; N63-Y95 WeakPolarHBondContact CA-OH 3.22Å; N63-Y95 PolarHBondContact N-OH 3.16Å; F66-Y95 HydrophobicContact CB-CE1 3.96Å; R91-Y95 HydrophobicContact CG-CD1 4.46Å; R91-Y95 HydrophobicContact CG-CE1 3.81Å; R91-Y95 HydrophobicContact CG-CE2 4.07Å; R91-Y95 WeakPolarHBondContact O-CD1 3.32Å; R91-Y95 VanDerWaalsContact O-CG 3.28Å; R91-Y95 PolarHBondContact O-N 3.07Å; H93-Y95 VanDerWaalsContact C-N 3.3Å; H93-Y95 PolarHBondContact O-N 2.59Å; Y95-L98 HydrophobicContact CD1-CD1 4.41Å; Y95-S99 VanDerWaalsContact O-CB 3.24Å; Y95-S99 WeakPolarHBondContact O-CB 3.13Å; Y95-S99 PolarHBondContact O-N 2.89Å; Y95-S99 PolarHBondContact O-OG 2.7Å
96R96.4Very high95.5Very high21 Ų2129.5 Ų29.58%0.07914%0.143CC..Hα-helixtrans-64.4-45.4174.7-65.8174-175.8101.8-0.6110.8Q92 H93 V94 A100 L140 P178Q92-R96 WeakPolarHBondContact O-CG 3.47Å; Q92-R96 PolarHBondContact O-N 2.75Å; Q92-R96 PolarHBondContact O-NH1 2.96Å; H93-R96 PolarHBondContact ND1-NH1 3.32Å; H93-R96 WeakPolarHBondContact O-CB 2.83Å; H93-R96 PolarHBondContact O-N 3.08Å; H93-R96 VanDerWaalsContact O-N 3.16Å; V94-R96 PolarHBondContact O-N 3.25Å; R96-A100 VanDerWaalsContact O-CB 3.26Å; R96-A100 WeakPolarHBondContact O-CB 3.16Å; R96-A100 PolarHBondContact O-N 3.47Å; R96-L140 HydrophobicContact CG-CD1 4.26Å; R96-P178 HydrophobicContact CB-CG 4.2Å
97Y98.1Very high95.8Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-66.3-43.5177.3-77-71.6000112.8D16 A19 T20 L24 H93 V94 A100 F101 G177 P178 F181D16-Y97 PolarHBondContact OD1-OH 2.8Å; A19-Y97 HydrophobicContact CB-CD2 3.77Å; A19-Y97 HydrophobicContact CB-CE2 3.84Å; T20-Y97 HydrophobicContact CG2-CE1 4.11Å; T20-Y97 HydrophobicContact CG2-CE2 4.1Å; T20-Y97 WeakPolarHBondContact CG2-OH 3.46Å; L24-Y97 HydrophobicContact CD1-CD1 3.75Å; L24-Y97 HydrophobicContact CD1-CE1 3.49Å; L24-Y97 VanDerWaalsContact CD1-CE1 3.49Å; L24-Y97 HydrophobicContact CD2-CD1 4Å; L24-Y97 HydrophobicContact CG-CD1 3.75Å; L24-Y97 HydrophobicContact CG-CE1 3.99Å; H93-Y97 AromaticContact CD2-CE2 3.59Å; H93-Y97 AromaticContact NE2-CE2 3.69Å; H93-Y97 WeakPolarHBondContact O-CD2 3.23Å; H93-Y97 PolarHBondContact O-N 3.12Å; V94-Y97 PolarHBondContact O-N 3.17Å; V94-Y97 VanDerWaalsContact O-N 3.09Å; Y97-A100 PolarHBondContact O-N 3.3Å; Y97-F101 AromaticContact CD1-CD2 3.99Å; Y97-F101 HydrophobicContact CD1-CD2 3.99Å; Y97-F101 AromaticContact CD1-CE2 3.74Å; Y97-F101 HydrophobicContact CD1-CE2 3.74Å; Y97-F101 HydrophobicContact CE1-CE2 4.18Å; Y97-F101 WeakPolarHBondContact O-CD2 3.18Å; Y97-F101 PolarHBondContact O-N 3.49Å; Y97-G177 VanDerWaalsContact OH-C 3.29Å; Y97-G177 WeakPolarHBondContact OH-CA 3.31Å; Y97-G177 PolarHBondContact OH-N 2.65Å; Y97-P178 HydrophobicContact CD1-CG 3.99Å; Y97-P178 HydrophobicContact CE1-CG 4.07Å; Y97-P178 HydrophobicContact CG-CG 4.39Å; Y97-F181 AromaticContact CE1-CE2 4Å; Y97-F181 HydrophobicContact CE1-CE2 4Å
98L97.7Very high96Very high0 Ų028.7 Ų28.70%014%0.14CC..Hα-helixtrans-59.9-48.6175.1-68.7179000111.5V23 L53 F56 F62 T65 V94 Y95 A100 L102V23-L98 HydrophobicContact CG1-CD2 4.12Å; V23-L98 HydrophobicContact CG2-CD2 4.38Å; L53-L98 HydrophobicContact CD2-CD2 3.52Å; F56-L98 HydrophobicContact CD1-CB 4.42Å; F56-L98 HydrophobicContact CD1-CD2 4.02Å; F56-L98 HydrophobicContact CD2-CD1 4.4Å; F56-L98 HydrophobicContact CE1-CB 3.78Å; F56-L98 HydrophobicContact CE1-CD2 4.24Å; F56-L98 HydrophobicContact CE1-CG 4.42Å; F56-L98 HydrophobicContact CE2-CD1 4.23Å; F56-L98 HydrophobicContact CG-CD2 4.38Å; F56-L98 HydrophobicContact CZ-CB 3.85Å; F56-L98 HydrophobicContact CZ-CD1 4.33Å; F62-L98 HydrophobicContact CD1-CB 4.4Å; F62-L98 HydrophobicContact CD1-CD1 4.17Å; F62-L98 HydrophobicContact CE1-CB 4.01Å; T65-L98 HydrophobicContact CG2-CD1 3.9Å; T65-L98 HydrophobicContact CG2-CD2 4.33Å; V94-L98 HydrophobicContact CG1-CD1 3.85Å; V94-L98 HydrophobicContact CG1-CG 4.05Å; V94-L98 WeakPolarHBondContact O-CG 3.35Å; V94-L98 PolarHBondContact O-N 3.29Å; Y95-L98 HydrophobicContact CD1-CD1 4.41Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 2.92Å; L98-L102 HydrophobicContact CD2-CD2 4.33Å; L98-L102 HydrophobicContact CD2-CG 4.22Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.44Å
99S96.9Very high96.2Very high34 Ų3426.2 Ų26.224%0.23813%0.129CC..Hα-helixtrans-61.3-38.2178.2-58.40000112.5F62 Y95 S105F62-S99 WeakPolarHBondContact CE1-OG 3.05Å; F62-S99 WeakPolarHBondContact CZ-OG 3.25Å; Y95-S99 VanDerWaalsContact O-CB 3.24Å; Y95-S99 WeakPolarHBondContact O-CB 3.13Å; Y95-S99 PolarHBondContact O-N 2.89Å; Y95-S99 PolarHBondContact O-OG 2.7Å; S99-S105 WeakPolarHBondContact O-CB 3.34Å
100A96.6Very high96.3Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-73.1-42.2-177.900000113.1R96 Y97 L98 S105 I107 V138 P178R96-A100 VanDerWaalsContact O-CB 3.26Å; R96-A100 WeakPolarHBondContact O-CB 3.16Å; R96-A100 PolarHBondContact O-N 3.47Å; Y97-A100 PolarHBondContact O-N 3.3Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 2.92Å; A100-S105 WeakPolarHBondContact O-CB 3.46Å; A100-S105 PolarHBondContact O-OG 3.34Å; A100-I107 HydrophobicContact CB-CD1 4.36Å; A100-I107 WeakPolarHBondContact O-CG1 3.41Å; A100-V138 HydrophobicContact CB-CB 4.29Å; A100-P178 HydrophobicContact CB-CB 3.92Å; A100-P178 HydrophobicContact CB-CG 3.91Å
101F96.6Very high96.4Very high23 Ų2332.8 Ų32.810%0.10117%0.169CC..Hα-helixtrans-119.1-11.4-162.8-59.2-56.8000115.8L24 Y97 I107 I109 I124 P178L24-F101 HydrophobicContact CD1-CE2 4.43Å; L24-F101 HydrophobicContact CD2-CD2 3.49Å; L24-F101 VanDerWaalsContact CD2-CD2 3.49Å; L24-F101 HydrophobicContact CD2-CE2 3.9Å; L24-F101 HydrophobicContact CD2-CG 4.19Å; Y97-F101 AromaticContact CD1-CD2 3.99Å; Y97-F101 HydrophobicContact CD1-CD2 3.99Å; Y97-F101 AromaticContact CD1-CE2 3.74Å; Y97-F101 HydrophobicContact CD1-CE2 3.74Å; Y97-F101 HydrophobicContact CE1-CE2 4.18Å; Y97-F101 WeakPolarHBondContact O-CD2 3.18Å; Y97-F101 PolarHBondContact O-N 3.49Å; F101-I107 HydrophobicContact CD1-CD1 4.28Å; F101-I107 HydrophobicContact CE1-CD1 3.82Å; F101-I109 HydrophobicContact CB-CG2 4.27Å; F101-I109 HydrophobicContact CD1-CB 3.69Å; F101-I109 HydrophobicContact CD1-CG2 3.71Å; F101-I109 HydrophobicContact CD2-CG2 4.45Å; F101-I109 HydrophobicContact CE1-CB 3.62Å; F101-I109 HydrophobicContact CE1-CG2 4.12Å; F101-I109 HydrophobicContact CE2-CD1 4.47Å; F101-I109 HydrophobicContact CG-CB 4.31Å; F101-I109 HydrophobicContact CG-CG2 3.88Å; F101-I109 HydrophobicContact CZ-CB 4.15Å; F101-I109 HydrophobicContact CZ-CD1 4.21Å; F101-I124 HydrophobicContact CE1-CD1 3.45Å; F101-I124 VanDerWaalsContact CE1-CD1 3.45Å; F101-I124 HydrophobicContact CZ-CD1 3.56Å; F101-P178 HydrophobicContact CE2-CB 3.91Å; F101-P178 HydrophobicContact CE2-CG 4.26Å; F101-P178 HydrophobicContact CZ-CB 3.98Å
102L93.8Very high96.4Very high8 Ų831.4 Ų31.44%0.04217%0.165CC..THydrogen-bonded Turntrans-113.4-19.2-176.3-73.4-66.7000112.7V23 L27 L53 F56 Q57 L98V23-L102 HydrophobicContact CG1-CD2 4.07Å; L27-L102 HydrophobicContact CD1-CD1 4.01Å; L27-L102 HydrophobicContact CD1-CD2 3.43Å; L27-L102 VanDerWaalsContact CD1-CD2 3.43Å; L27-L102 HydrophobicContact CD1-CG 4.31Å; L27-L102 HydrophobicContact CD2-CD1 3.87Å; L53-L102 HydrophobicContact CB-CD1 4.21Å; F56-L102 HydrophobicContact CD1-CB 3.63Å; F56-L102 HydrophobicContact CD1-CG 4.18Å; F56-L102 HydrophobicContact CE1-CB 3.69Å; Q57-L102 HydrophobicContact CG-CB 4.17Å; Q57-L102 HydrophobicContact CG-CD1 3.83Å; Q57-L102 WeakPolarHBondContact CG-O 3.46Å; Q57-L102 PolarHBondContact NE2-O 2.93Å; L98-L102 HydrophobicContact CD2-CD2 4.33Å; L98-L102 HydrophobicContact CD2-CG 4.22Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 PolarHBondContact O-N 3.44Å
103L93.6Very high96.4Very high47 Ų4737.5 Ų37.525%0.24620%0.199CC..SBendtrans-93.5165.8173.1-58.3-175.2000110.9F56 H60 F62 S105F56-L103 HydrophobicContact CE1-CD2 3.71Å; F56-L103 HydrophobicContact CE1-CG 4.07Å; F56-L103 HydrophobicContact CZ-CD2 3.87Å; F56-L103 HydrophobicContact CZ-CG 4.23Å; H60-L103 WeakPolarHBondContact CD2-CD2 3.38Å; F62-L103 HydrophobicContact CE2-CD1 4.5Å; F62-L103 HydrophobicContact CZ-CD1 3.99Å; L103-S105 PolarHBondContact O-N 3.21Å
104D92.8Very high96.4Very high156 Ų15641 Ų4183%0.83421%0.212SC*.  trans-72.276.8169.6-173.216000110.6
105S94.8Very high96.3Very high16 Ų1642 Ų4211%0.11222%0.216CC..  trans-95.5-2-170.970.10000113.4S99 A100 L103 I107S99-S105 WeakPolarHBondContact O-CB 3.34Å; A100-S105 WeakPolarHBondContact O-CB 3.46Å; A100-S105 PolarHBondContact O-OG 3.34Å; L103-S105 PolarHBondContact O-N 3.21Å; S105-I107 VanDerWaalsContact C-N 3.28Å; S105-I107 WeakPolarHBondContact OG-CG1 3.48Å; S105-I107 PolarHBondContact OG-N 2.81Å; S105-I107 PolarHBondContact OG-O 2.84Å
106G97Very high96Very high1 Ų143 Ų431%0.0123%0.231CC..SBendtrans78.86.4-173.300000114.8T127 W130G106-T127 WeakPolarHBondContact CA-OG1 3Å; G106-T127 PolarHBondContact O-N 2.9Å; G106-T127 PolarHBondContact O-OG1 2.81Å; G106-W130 PolarHBondContact O-NE1 2.96Å
107I97.8Very high95.5Very high7 Ų744.4 Ų44.44%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-137.9165.1176.462.9155.2000111.6A100 F101 S105 I124 T125 T127 W130 V136 V138 L139 I214A100-I107 HydrophobicContact CB-CD1 4.36Å; A100-I107 WeakPolarHBondContact O-CG1 3.41Å; F101-I107 HydrophobicContact CD1-CD1 4.28Å; F101-I107 HydrophobicContact CE1-CD1 3.82Å; S105-I107 VanDerWaalsContact C-N 3.28Å; S105-I107 WeakPolarHBondContact OG-CG1 3.48Å; S105-I107 PolarHBondContact OG-N 2.81Å; S105-I107 PolarHBondContact OG-O 2.84Å; I107-I124 HydrophobicContact CB-CG2 4.08Å; I107-I124 HydrophobicContact CD1-CG2 4.11Å; I107-I124 HydrophobicContact CG2-CG2 4.33Å; I107-T125 CarbonylContact C-O 3.27Å; I107-T125 VanDerWaalsContact CA-O 3.31Å; I107-T125 WeakPolarHBondContact CA-O 3.5Å; I107-T127 PolarHBondContact N-OG1 2.91Å; I107-W130 HydrophobicContact CG2-CZ2 4.23Å; I107-V136 HydrophobicContact CG2-CG1 3.9Å; I107-V138 HydrophobicContact CD1-CG2 3.92Å; I107-V138 HydrophobicContact CG1-CG2 4.02Å; I107-L139 HydrophobicContact CD1-CD1 4.3Å; I107-L139 HydrophobicContact CD1-CD2 3.43Å; I107-L139 VanDerWaalsContact CD1-CD2 3.43Å; I107-L139 HydrophobicContact CD1-CG 3.7Å; I107-L139 HydrophobicContact CG2-CD1 4.44Å; I107-I214 HydrophobicContact CG2-CD1 3.44Å; I107-I214 VanDerWaalsContact CG2-CD1 3.44Å
108K97.2Very high95Very high83 Ų8347.7 Ų47.736%0.36126%0.26SS..EExtended strand (participates in β ladder)trans-144.4160166.161.5175.2171.6161.70110.5E110 I124 T125 T127K108-E110 HydrophobicContact CD-CG 4.14Å; K108-E110 VanDerWaalsContact CE-CD 3.49Å; K108-E110 WeakPolarHBondContact CE-OE1 3.45Å; K108-E110 HydrophobicContact CG-CG 4.27Å; K108-E110 IonicContact NZ-OE1 3.06Å; K108-E110 PolarHBondContact NZ-OE1 2.94Å; K108-E110 IonicContact NZ-OE2 3.44Å; K108-I124 WeakPolarHBondContact O-CA 3.42Å; K108-T125 WeakPolarHBondContact CE-OG1 3.47Å; K108-T125 WeakPolarHBondContact CG-OG1 3.39Å; K108-T125 PolarHBondContact N-O 3.2Å; K108-T125 PolarHBondContact O-N 3.5Å; K108-T127 HydrophobicContact CB-CG2 3.94Å; K108-T127 HydrophobicContact CD-CG2 4.04Å; K108-T127 HydrophobicContact CG-CG2 3.79Å
109I97.6Very high94.5Very high22 Ų2253.9 Ų53.911%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-102.4138.9171.3-170166.4000109.8L24 L28 F101 A122 K123 I124 F181L24-I109 HydrophobicContact CD1-CD1 3.85Å; L24-I109 HydrophobicContact CD2-CD1 4.23Å; L24-I109 HydrophobicContact CD2-CG2 4.24Å; L28-I109 HydrophobicContact CD1-CD1 4.04Å; L28-I109 HydrophobicContact CD1-CG1 4.23Å; L28-I109 HydrophobicContact CD2-CG1 4.47Å; L28-I109 HydrophobicContact CD2-CG2 4.31Å; F101-I109 HydrophobicContact CB-CG2 4.27Å; F101-I109 HydrophobicContact CD1-CB 3.69Å; F101-I109 HydrophobicContact CD1-CG2 3.71Å; F101-I109 HydrophobicContact CD2-CG2 4.45Å; F101-I109 HydrophobicContact CE1-CB 3.62Å; F101-I109 HydrophobicContact CE1-CG2 4.12Å; F101-I109 HydrophobicContact CE2-CD1 4.47Å; F101-I109 HydrophobicContact CG-CB 4.31Å; F101-I109 HydrophobicContact CG-CG2 3.88Å; F101-I109 HydrophobicContact CZ-CB 4.15Å; F101-I109 HydrophobicContact CZ-CD1 4.21Å; I109-A122 HydrophobicContact CD1-CB 4.09Å; I109-A122 HydrophobicContact CG1-CB 4.04Å; I109-K123 WeakPolarHBondContact CA-O 3.28Å; I109-I124 HydrophobicContact CB-CD1 4.13Å; I109-I124 HydrophobicContact CD1-CD1 4.37Å; I109-I124 HydrophobicContact CG1-CD1 4.13Å; I109-F181 HydrophobicContact CD1-CB 4.31Å; I109-F181 HydrophobicContact CD1-CD1 3.9Å; I109-F181 HydrophobicContact CD1-CD2 4.3Å; I109-F181 HydrophobicContact CD1-CE1 4.26Å; I109-F181 HydrophobicContact CD1-CG 3.9Å
110E96.9Very high94.2Very high61 Ų6156.5 Ų56.529%0.28531%0.309SS..EExtended strand (participates in β ladder)trans-138.5157.2-178.4-63.7179.9123.300110.4K108 A122 K123 T125K108-E110 HydrophobicContact CD-CG 4.14Å; K108-E110 VanDerWaalsContact CE-CD 3.49Å; K108-E110 WeakPolarHBondContact CE-OE1 3.45Å; K108-E110 HydrophobicContact CG-CG 4.27Å; K108-E110 IonicContact NZ-OE1 3.06Å; K108-E110 PolarHBondContact NZ-OE1 2.94Å; K108-E110 IonicContact NZ-OE2 3.44Å; E110-A122 CarbonylContact O-C 3.49Å; E110-A122 WeakPolarHBondContact O-CA 3.44Å; E110-A122 WeakPolarHBondContact O-CB 3.43Å; E110-K123 HydrophobicContact CB-CG 4.3Å; E110-K123 PolarHBondContact N-O 3.47Å; E110-K123 PolarHBondContact O-N 3.28Å; E110-T125 WeakPolarHBondContact OE2-CB 3.38Å; E110-T125 WeakPolarHBondContact OE2-CG2 3.4Å; E110-T125 PolarHBondContact OE2-OG1 2.83Å
111S97.2Very high94.1Very high81 Ų8156.7 Ų56.757%0.56631%0.311SS*.EExtended strand (participates in β ladder)trans-59.9143.5171.457.40000111.4
112C96.7Very high94.1Very high10 Ų1055.9 Ų55.97%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-135.2126176.4-172.30000109.7G121 K123C112-G121 PolarHBondContact N-O 3.34Å; C112-G121 CarbonylContact O-C 3.53Å; C112-G121 VanDerWaalsContact O-C 3.27Å; C112-G121 WeakPolarHBondContact O-CA 3.23Å; C112-G121 PolarHBondContact O-N 3.39Å; C112-K123 HydrophobicContact CB-CB 3.99Å; C112-K123 HydrophobicContact CB-CD 4.4Å; C112-K123 HydrophobicContact CB-CG 4.16Å
113D96.1Very high94.3Very high159 Ų15958.3 Ų58.385%0.8532%0.319SS*.  trans-117.510.1179.560.3-12.7000112
114R96Very high94.6Very high74 Ų7456.1 Ų56.128%0.27931%0.307SS..  trans-69.5-40.3-173.9179.8175.5177.584.46.3113.1E231 C232 E236R114-E231 VanDerWaalsContact CZ-O 3.28Å; R114-E231 PolarHBondContact NE-O 3.43Å; R114-E231 PolarHBondContact NH2-O 2.95Å; R114-C232 VanDerWaalsContact NH2-C 3.34Å; R114-C232 PolarHBondContact NH2-O 3.35Å; R114-E236 IonicContact CZ-OE2 3.25Å; R114-E236 VanDerWaalsContact CZ-OE2 3.25Å; R114-E236 IonicContact NH1-OE2 2.87Å; R114-E236 PolarHBondContact NH1-OE2 2.82Å; R114-E236 IonicContact NH2-OE2 2.7Å; R114-E236 PolarHBondContact NH2-OE2 3.37Å
115Y95Very high94.8Very high20 Ų2048.8 Ų48.88%0.07827%0.268CS..  trans-96.2122.1-167-53.3-74000110.4S117 E118 N183 E231Y115-S117 VanDerWaalsContact C-N 3.26Å; Y115-S117 PolarHBondContact O-N 2.52Å; Y115-E118 WeakPolarHBondContact CD2-OE1 3.46Å; Y115-E118 WeakPolarHBondContact O-CG 3.28Å; Y115-E118 PolarHBondContact O-N 3.03Å; Y115-N183 HydrophobicContact CE2-CB 3.88Å; Y115-N183 VanDerWaalsContact CE2-CG 3.4Å; Y115-N183 WeakPolarHBondContact OH-CB 3.19Å; Y115-E231 WeakPolarHBondContact CA-OE2 2.92Å; Y115-E231 HydrophobicContact CD1-CB 3.98Å; Y115-E231 HydrophobicContact CE1-CB 4.49Å
116S91.8Very high95Very high79 Ų7948 Ų4855%0.55226%0.263SS*.THydrogen-bonded Turntrans-77.9-8.6-171.959.70000114.6E118 E231 K262S116-E118 VanDerWaalsContact C-N 3.33Å; S116-E231 PolarHBondContact N-OE2 3Å; S116-E231 VanDerWaalsContact OG-CD 3.25Å; S116-E231 PolarHBondContact OG-OE1 2.68Å; S116-E231 PolarHBondContact OG-OE2 3.1Å; S116-K262 PolarHBondContact OG-NZ 3.05Å
117S85.6Confident95.1Very high52 Ų5250.8 Ų50.836%0.36428%0.28SS..THydrogen-bonded Turntrans-85.3-5.6173.954.90000113.6Y115Y115-S117 VanDerWaalsContact C-N 3.26Å; Y115-S117 PolarHBondContact O-N 2.52Å
118E86.6Confident95.1Very high68 Ų6854.8 Ų54.832%0.31829%0.294SS..  trans-124.6149.7179.563.4-178.5-164.100111.4Y115 S116 G121Y115-E118 WeakPolarHBondContact CD2-OE1 3.46Å; Y115-E118 WeakPolarHBondContact O-CG 3.28Å; Y115-E118 PolarHBondContact O-N 3.03Å; S116-E118 VanDerWaalsContact C-N 3.33Å; E118-G121 WeakPolarHBondContact OE1-CA 3.46Å
119T87.7Confident95.1Very high130 Ų13055.8 Ų55.880%0.79830%0.3SS*.SBendtrans-116.1143.8164.854.20000106.7G121T119-G121 VanDerWaalsContact C-N 3.32Å
120N92Very high95.2Very high89 Ų8955.1 Ų55.148%0.47630%0.296SS..SBendtrans59.343.2-175.3-60.3-13000112.6F30 T31F30-N120 HydrophobicContact CD2-CB 3.53Å; F30-N120 HydrophobicContact CE2-CB 3.89Å; F30-N120 VanDerWaalsContact CE2-O 3.25Å; F30-N120 WeakPolarHBondContact CE2-O 3.26Å; F30-N120 HydrophobicContact CG-CB 4.25Å; T31-N120 VanDerWaalsContact O-CB 3.32Å; T31-N120 WeakPolarHBondContact O-CB 3.23Å; T31-N120 PolarHBondContact O-ND2 3.29Å
121G93.9Very high95.3Very high5 Ų558.6 Ų58.65%0.05231%0.311CS..EExtended strand (participates in β ladder)trans-66.5160.4176.100000112.3F30 C112 E118 T119F30-G121 WeakPolarHBondContact CZ-O 3.17Å; C112-G121 PolarHBondContact N-O 3.34Å; C112-G121 CarbonylContact O-C 3.53Å; C112-G121 VanDerWaalsContact O-C 3.27Å; C112-G121 WeakPolarHBondContact O-CA 3.23Å; C112-G121 PolarHBondContact O-N 3.39Å; E118-G121 WeakPolarHBondContact OE1-CA 3.46Å; T119-G121 VanDerWaalsContact C-N 3.32Å
122A97.3Very high95.3Very high5 Ų559.2 Ų59.24%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-140.7159.7173.500000110.8L28 I109 E110 F181 N183L28-A122 HydrophobicContact CD1-CB 4.28Å; I109-A122 HydrophobicContact CD1-CB 4.09Å; I109-A122 HydrophobicContact CG1-CB 4.04Å; E110-A122 CarbonylContact O-C 3.49Å; E110-A122 WeakPolarHBondContact O-CA 3.44Å; E110-A122 WeakPolarHBondContact O-CB 3.43Å; A122-F181 HydrophobicContact CB-CD1 3.85Å; A122-F181 HydrophobicContact CB-CE1 4.24Å; A122-N183 PolarHBondContact O-ND2 2.97Å
123K97.7Very high95.4Very high60 Ų6060.8 Ų60.826%0.26133%0.329SS..EExtended strand (participates in β ladder)trans-138.3160.9177.867.9179.5-179.1-176.70111I109 E110 C112 T125 N183 E213I109-K123 WeakPolarHBondContact CA-O 3.28Å; E110-K123 HydrophobicContact CB-CG 4.3Å; E110-K123 PolarHBondContact N-O 3.47Å; E110-K123 PolarHBondContact O-N 3.28Å; C112-K123 HydrophobicContact CB-CB 3.99Å; C112-K123 HydrophobicContact CB-CD 4.4Å; C112-K123 HydrophobicContact CB-CG 4.16Å; K123-T125 HydrophobicContact CD-CG2 4.25Å; K123-T125 HydrophobicContact CG-CG2 4.33Å; K123-N183 VanDerWaalsContact CB-ND2 3.25Å; K123-N183 WeakPolarHBondContact CB-ND2 3.36Å; K123-E213 HydrophobicContact CB-CG 4.28Å; K123-E213 WeakPolarHBondContact CB-OE1 3.39Å; K123-E213 HydrophobicContact CD-CG 4.33Å
124I98.3Very high95.5Very high0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-106.8126.5176.7-52.3-66.7000109F101 I107 K108 I109 L139 F181 I182 E213 I214F101-I124 HydrophobicContact CE1-CD1 3.45Å; F101-I124 VanDerWaalsContact CE1-CD1 3.45Å; F101-I124 HydrophobicContact CZ-CD1 3.56Å; I107-I124 HydrophobicContact CB-CG2 4.08Å; I107-I124 HydrophobicContact CD1-CG2 4.11Å; I107-I124 HydrophobicContact CG2-CG2 4.33Å; K108-I124 WeakPolarHBondContact O-CA 3.42Å; I109-I124 HydrophobicContact CB-CD1 4.13Å; I109-I124 HydrophobicContact CD1-CD1 4.37Å; I109-I124 HydrophobicContact CG1-CD1 4.13Å; I124-L139 HydrophobicContact CD1-CD2 4.45Å; I124-L139 HydrophobicContact CG1-CD2 4.45Å; I124-L139 HydrophobicContact CG2-CD1 4.17Å; I124-L139 HydrophobicContact CG2-CD2 4.21Å; I124-F181 HydrophobicContact CD1-CB 3.83Å; I124-F181 HydrophobicContact CG1-CB 4.02Å; I124-I182 HydrophobicContact CG1-CG1 4.17Å; I124-E213 CarbonylContact O-C 3.58Å; I124-E213 WeakPolarHBondContact O-CA 3.33Å; I124-E213 WeakPolarHBondContact O-CG 3.48Å; I124-I214 HydrophobicContact CB-CB 4.37Å; I124-I214 HydrophobicContact CG2-CB 4.21Å; I124-I214 HydrophobicContact CG2-CD1 4.07Å; I124-I214 HydrophobicContact CG2-CG1 4.45Å; I124-I214 PolarHBondContact O-N 2.7Å
125T98.3Very high95.5Very high2 Ų259 Ų591%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-121.4148.5176.155.60000111.2I107 K108 E110 K123 E212 E213I107-T125 CarbonylContact C-O 3.27Å; I107-T125 VanDerWaalsContact CA-O 3.31Å; I107-T125 WeakPolarHBondContact CA-O 3.5Å; K108-T125 WeakPolarHBondContact CE-OG1 3.47Å; K108-T125 WeakPolarHBondContact CG-OG1 3.39Å; K108-T125 PolarHBondContact N-O 3.2Å; K108-T125 PolarHBondContact O-N 3.5Å; E110-T125 WeakPolarHBondContact OE2-CB 3.38Å; E110-T125 WeakPolarHBondContact OE2-CG2 3.4Å; E110-T125 PolarHBondContact OE2-OG1 2.83Å; K123-T125 HydrophobicContact CD-CG2 4.25Å; K123-T125 HydrophobicContact CG-CG2 4.33Å; T125-E212 WeakPolarHBondContact CA-O 3.14Å; T125-E213 HydrophobicContact CG2-CB 4.39Å
126A98.5Very high95.5Very high1 Ų158.1 Ų58.11%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-75.1139.6178.100000111.2I208 G211 E212A126-I208 HydrophobicContact CB-CG2 3.73Å; A126-G211 PolarHBondContact O-N 2.78Å; A126-E212 PolarHBondContact N-O 2.94Å
127T98.3Very high95.6Very high59 Ų5961.2 Ų61.236%0.36232%0.315SS..SBendtrans-102.5-10171.6590000112.5G106 I107 K108G106-T127 WeakPolarHBondContact CA-OG1 3Å; G106-T127 PolarHBondContact O-N 2.9Å; G106-T127 PolarHBondContact O-OG1 2.81Å; I107-T127 PolarHBondContact N-OG1 2.91Å; K108-T127 HydrophobicContact CB-CG2 3.94Å; K108-T127 HydrophobicContact CD-CG2 4.04Å; K108-T127 HydrophobicContact CG-CG2 3.79Å
128R98.1Very high96Very high90 Ų9060.4 Ų60.434%0.3431%0.308SS..SBendtrans-134.8171175.869.8174.2-175.892.8-19111.4W130 E134R128-W130 HydrophobicContact CG-CZ2 4.49Å; R128-W130 VanDerWaalsContact NH2-CE3 3.29Å; R128-E134 IonicContact CZ-OE1 3.63Å; R128-E134 IonicContact NH1-OE1 2.67Å; R128-E134 PolarHBondContact NH1-OE1 2.82Å; R128-E134 VanDerWaalsContact NH1-OE1 3.09Å; R128-E134 IonicContact NH1-OE2 3.62Å; R128-E134 IonicContact NH2-OE1 3.24Å; R128-E134 PolarHBondContact NH2-OE1 3.2Å
129H98.5Very high96.5Very high104 Ų10457.2 Ų57.248%0.48129%0.293SS..  trans-67.8136.9167-72.4-77.1000110.6F131 I208 P210H129-F131 HydrophobicContact CB-CZ 4.37Å; H129-I208 WeakPolarHBondContact CA-O 3.45Å; H129-P210 WeakPolarHBondContact CE1-CD 3.28Å; H129-P210 WeakPolarHBondContact ND1-CD 3.41Å
130W98.6Very high96.8Very high8 Ų852.7 Ų52.73%0.0326%0.264CS..BIsolated β-bridgetrans-120.4140.7168.7-62.685.7000110.8G106 I107 R128 E134 V136 V204 P207 I208G106-W130 PolarHBondContact O-NE1 2.96Å; I107-W130 HydrophobicContact CG2-CZ2 4.23Å; R128-W130 HydrophobicContact CG-CZ2 4.49Å; R128-W130 VanDerWaalsContact NH2-CE3 3.29Å; W130-E134 WeakPolarHBondContact CA-OE2 3.38Å; W130-E134 HydrophobicContact CE3-CB 3.93Å; W130-E134 HydrophobicContact CZ3-CB 4.38Å; W130-V136 HydrophobicContact CD2-CG2 4.2Å; W130-V136 HydrophobicContact CE3-CG2 3.96Å; W130-V136 HydrophobicContact CH2-CB 4.09Å; W130-V136 HydrophobicContact CH2-CG1 3.79Å; W130-V136 HydrophobicContact CH2-CG2 3.94Å; W130-V136 HydrophobicContact CZ2-CG1 3.91Å; W130-V136 HydrophobicContact CZ2-CG2 4.18Å; W130-V136 HydrophobicContact CZ3-CB 4.27Å; W130-V136 HydrophobicContact CZ3-CG1 4.45Å; W130-V136 HydrophobicContact CZ3-CG2 3.8Å; W130-V204 HydrophobicContact CB-CG1 4.26Å; W130-V204 HydrophobicContact CB-CG2 3.95Å; W130-V204 HydrophobicContact CE3-CG2 4.25Å; W130-V204 HydrophobicContact CG-CG2 4.43Å; W130-P207 WeakPolarHBondContact O-CA 3.28Å; W130-I208 HydrophobicContact CB-CB 4.06Å; W130-I208 HydrophobicContact CB-CD1 4.49Å; W130-I208 HydrophobicContact CB-CG1 4.36Å; W130-I208 PolarHBondContact N-O 3.22Å; W130-I208 PolarHBondContact O-N 2.79Å
131F98.4Very high96.9Very high135 Ų13548.5 Ų48.559%0.59224%0.241SC*.  trans-108.2154.3-177.6-57.8-76.5000111.4H129 G133 E134 V204H129-F131 HydrophobicContact CB-CZ 4.37Å; F131-G133 PolarHBondContact O-N 2.62Å; F131-E134 HydrophobicContact CB-CG 4.39Å; F131-E134 VanDerWaalsContact CD2-OE2 3.28Å; F131-E134 WeakPolarHBondContact CD2-OE2 3.34Å; F131-E134 PolarHBondContact N-OE2 3.36Å; F131-E134 WeakPolarHBondContact O-CB 3.32Å; F131-E134 PolarHBondContact O-N 3.31Å; F131-E134 VanDerWaalsContact O-N 3.08Å; F131-V204 WeakPolarHBondContact O-CB 3.45Å; F131-V204 VanDerWaalsContact O-CG1 3.32Å; F131-V204 WeakPolarHBondContact O-CG1 3.38Å
132V98.5Very high96.9Very high93 Ų9348.7 Ų48.756%0.56424%0.241SC*.THydrogen-bonded Turntrans-59130.7-179.4-178.10000110.5E134 P207V132-E134 VanDerWaalsContact C-N 3.35Å; V132-P207 HydrophobicContact CG2-CG 4.08Å
133G97.7Very high96.7Very high43 Ų4349.2 Ų49.244%0.44324%0.244SC..THydrogen-bonded Turntrans90.8-11.9-178.200000114.3F131 V204F131-G133 PolarHBondContact O-N 2.62Å; G133-V204 PolarHBondContact N-O 3.04Å
134E98Very high96.4Very high55 Ų5546.6 Ų46.626%0.25723%0.233SC..  trans-64.6145.5170.9-75.5-170.686.400110.9R128 W130 F131 V132 E203 V204R128-E134 IonicContact CZ-OE1 3.63Å; R128-E134 IonicContact NH1-OE1 2.67Å; R128-E134 PolarHBondContact NH1-OE1 2.82Å; R128-E134 VanDerWaalsContact NH1-OE1 3.09Å; R128-E134 IonicContact NH1-OE2 3.62Å; R128-E134 IonicContact NH2-OE1 3.24Å; R128-E134 PolarHBondContact NH2-OE1 3.2Å; W130-E134 WeakPolarHBondContact CA-OE2 3.38Å; W130-E134 HydrophobicContact CE3-CB 3.93Å; W130-E134 HydrophobicContact CZ3-CB 4.38Å; F131-E134 HydrophobicContact CB-CG 4.39Å; F131-E134 VanDerWaalsContact CD2-OE2 3.28Å; F131-E134 WeakPolarHBondContact CD2-OE2 3.34Å; F131-E134 PolarHBondContact N-OE2 3.36Å; F131-E134 WeakPolarHBondContact O-CB 3.32Å; F131-E134 PolarHBondContact O-N 3.31Å; F131-E134 VanDerWaalsContact O-N 3.08Å; V132-E134 VanDerWaalsContact C-N 3.35Å; E134-E203 WeakPolarHBondContact O-CA 3.49Å; E134-V204 HydrophobicContact CB-CG2 4.38Å; E134-V204 WeakPolarHBondContact O-CG2 3.17Å; E134-V204 PolarHBondContact O-N 3.05Å
135R96.4Very high96Very high142 Ų14248.8 Ų48.854%0.53624%0.243SC..EExtended strand (participates in β ladder)trans-100.9130.3172.6-66.6-179177.8178.5-0109.4E137 L193 V202R135-E137 VanDerWaalsContact C-N 3.3Å; R135-E137 HydrophobicContact CB-CG 4.09Å; R135-E137 PolarHBondContact O-N 2.83Å; R135-E137 VanDerWaalsContact O-N 3.13Å; R135-L193 HydrophobicContact CG-CD1 4.46Å; R135-V202 CarbonylContact C-O 3.34Å; R135-V202 WeakPolarHBondContact CA-O 3.4Å
136V95.9Very high95.5Very high0 Ų049.4 Ų49.40%025%0.246CC..EExtended strand (participates in β ladder)trans-85.880.9170.2-167.30000107.3I107 W130 V138 L139 V202 V204I107-V136 HydrophobicContact CG2-CG1 3.9Å; W130-V136 HydrophobicContact CD2-CG2 4.2Å; W130-V136 HydrophobicContact CE3-CG2 3.96Å; W130-V136 HydrophobicContact CH2-CB 4.09Å; W130-V136 HydrophobicContact CH2-CG1 3.79Å; W130-V136 HydrophobicContact CH2-CG2 3.94Å; W130-V136 HydrophobicContact CZ2-CG1 3.91Å; W130-V136 HydrophobicContact CZ2-CG2 4.18Å; W130-V136 HydrophobicContact CZ3-CB 4.27Å; W130-V136 HydrophobicContact CZ3-CG1 4.45Å; W130-V136 HydrophobicContact CZ3-CG2 3.8Å; V136-V138 HydrophobicContact CG1-CG2 4.05Å; V136-V138 PolarHBondContact O-N 3.03Å; V136-L139 HydrophobicContact CB-CB 4.3Å; V136-L139 HydrophobicContact CB-CD1 4.06Å; V136-L139 HydrophobicContact CB-CG 4.36Å; V136-L139 HydrophobicContact CG1-CB 4.04Å; V136-L139 HydrophobicContact CG1-CD1 3.59Å; V136-L139 HydrophobicContact CG1-CG 3.68Å; V136-L139 PolarHBondContact O-N 3.28Å; V136-V202 HydrophobicContact CB-CB 4.34Å; V136-V202 PolarHBondContact N-O 2.86Å; V136-V204 HydrophobicContact CG2-CG2 4.03Å
137E93.4Very high94.9Very high144 Ų14454.1 Ų54.167%0.67327%0.271SS*.EExtended strand (participates in β ladder)trans-62.6-25.3-169-62-170158.400113.7R135 L140R135-E137 VanDerWaalsContact C-N 3.3Å; R135-E137 HydrophobicContact CB-CG 4.09Å; R135-E137 PolarHBondContact O-N 2.83Å; R135-E137 VanDerWaalsContact O-N 3.13Å; E137-L140 WeakPolarHBondContact O-CD2 3.27Å; E137-L140 VanDerWaalsContact O-CG 3.31Å; E137-L140 WeakPolarHBondContact O-CG 3.29Å
138V94.6Very high94.1Very high36 Ų3655.5 Ų55.522%0.21828%0.281CS..EExtended strand (participates in β ladder)trans-77.6-20.8176.9-62.80000113.9A100 I107 V136 L140A100-V138 HydrophobicContact CB-CB 4.29Å; I107-V138 HydrophobicContact CD1-CG2 3.92Å; I107-V138 HydrophobicContact CG1-CG2 4.02Å; V136-V138 HydrophobicContact CG1-CG2 4.05Å; V136-V138 PolarHBondContact O-N 3.03Å; V138-L140 PolarHBondContact O-N 2.6Å
139L95.7Very high93.4Very high0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-82.470.7177-76177.3000110I107 I124 V136 P178 I182 V202 I214I107-L139 HydrophobicContact CD1-CD1 4.3Å; I107-L139 HydrophobicContact CD1-CD2 3.43Å; I107-L139 VanDerWaalsContact CD1-CD2 3.43Å; I107-L139 HydrophobicContact CD1-CG 3.7Å; I107-L139 HydrophobicContact CG2-CD1 4.44Å; I124-L139 HydrophobicContact CD1-CD2 4.45Å; I124-L139 HydrophobicContact CG1-CD2 4.45Å; I124-L139 HydrophobicContact CG2-CD1 4.17Å; I124-L139 HydrophobicContact CG2-CD2 4.21Å; V136-L139 HydrophobicContact CB-CB 4.3Å; V136-L139 HydrophobicContact CB-CD1 4.06Å; V136-L139 HydrophobicContact CB-CG 4.36Å; V136-L139 HydrophobicContact CG1-CB 4.04Å; V136-L139 HydrophobicContact CG1-CD1 3.59Å; V136-L139 HydrophobicContact CG1-CG 3.68Å; V136-L139 PolarHBondContact O-N 3.28Å; L139-P178 HydrophobicContact CD2-CB 4.24Å; L139-I182 HydrophobicContact CB-CD1 4.4Å; L139-I182 HydrophobicContact CD1-CD1 3.91Å; L139-I182 HydrophobicContact CD1-CG1 4.33Å; L139-I182 HydrophobicContact CD2-CD1 4.5Å; L139-V202 HydrophobicContact CB-CB 4.33Å; L139-V202 HydrophobicContact CB-CG2 3.79Å; L139-V202 HydrophobicContact CD1-CG2 4.43Å; L139-I214 HydrophobicContact CD1-CD1 4.02Å; L139-I214 HydrophobicContact CD1-CG2 4.12Å
140L94.3Very high92.6Very high36 Ų3652.2 Ų52.219%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-86.4135.1178.3-60.4179.9000110.8R96 E137 V138 P178 A179 I199 A200 C201R96-L140 HydrophobicContact CG-CD1 4.26Å; E137-L140 WeakPolarHBondContact O-CD2 3.27Å; E137-L140 VanDerWaalsContact O-CG 3.31Å; E137-L140 WeakPolarHBondContact O-CG 3.29Å; V138-L140 PolarHBondContact O-N 2.6Å; L140-P178 WeakPolarHBondContact O-CD 3.39Å; L140-A179 WeakPolarHBondContact O-CB 3.48Å; L140-A179 PolarHBondContact O-N 2.67Å; L140-I199 HydrophobicContact CB-CG2 4.3Å; L140-I199 HydrophobicContact CD2-CG2 3.87Å; L140-A200 WeakPolarHBondContact CA-O 3.47Å; L140-C201 HydrophobicContact CD2-CB 4.3Å
141G93.8Very high91.4Very high0 Ų053.3 Ų53.30%030%0.295CS..EExtended strand (participates in β ladder)trans-109121.8166.600000110L176 I199 A200G141-L176 CarbonylContact C-O 3.48Å; G141-L176 WeakPolarHBondContact CA-O 3.3Å; G141-I199 CarbonylContact O-C 3.56Å; G141-I199 VanDerWaalsContact O-CA 3.29Å; G141-I199 WeakPolarHBondContact O-CA 3.26Å; G141-A200 PolarHBondContact N-O 3.37Å; G141-A200 PolarHBondContact O-N 2.75Å
142C94.8Very high90.6Very high9 Ų951 Ų516%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-84.3131.3168.8-70.70000109.2L12 W175 L176L12-C142 HydrophobicContact CD1-CB 3.59Å; L12-C142 HydrophobicContact CD2-CB 4.5Å; C142-W175 WeakPolarHBondContact O-CA 3.21Å; C142-L176 PolarHBondContact N-O 2.89Å; C142-L176 PolarHBondContact O-N 2.6Å
143I92.9Very high89.9Confident17 Ų1748.1 Ų48.19%0.08728%0.283CS..EExtended strand (participates in β ladder)trans-116127.5-171.1-51.9170000110.1Q173 L174 W175 N198 A200I143-Q173 HydrophobicContact CG2-CB 3.77Å; I143-Q173 HydrophobicContact CG2-CG 4.17Å; I143-L174 WeakPolarHBondContact CA-O 3.4Å; I143-W175 HydrophobicContact CD1-CD2 4.04Å; I143-W175 HydrophobicContact CD1-CE3 4.23Å; I143-W175 HydrophobicContact CD1-CH2 3.67Å; I143-W175 HydrophobicContact CD1-CZ2 3.41Å; I143-W175 VanDerWaalsContact CD1-CZ2 3.41Å; I143-W175 HydrophobicContact CD1-CZ3 4.1Å; I143-W175 HydrophobicContact CG1-CD2 3.72Å; I143-W175 HydrophobicContact CG1-CE3 4.09Å; I143-W175 HydrophobicContact CG1-CG 4.2Å; I143-W175 HydrophobicContact CG1-CH2 4.4Å; I143-W175 HydrophobicContact CG1-CZ2 4.04Å; I143-W175 HydrophobicContact CG1-CZ3 4.44Å; I143-N198 HydrophobicContact CB-CB 4.18Å; I143-N198 VanDerWaalsContact CB-O 3.29Å; I143-N198 WeakPolarHBondContact CB-O 3.33Å; I143-N198 WeakPolarHBondContact CG1-O 3.35Å; I143-N198 PolarHBondContact N-O 3.39Å; I143-N198 VanDerWaalsContact O-CB 3.27Å; I143-N198 WeakPolarHBondContact O-CB 3.09Å; I143-A200 HydrophobicContact CD1-CB 3.84Å
144A92.1Very high89.4Confident4 Ų447 Ų473%0.03327%0.267CS..EExtended strand (participates in β ladder)trans-112.6130.8164.700000109.8V9 L12 Q173 L174V9-A144 HydrophobicContact CB-CB 4.4Å; V9-A144 HydrophobicContact CG2-CB 3.79Å; L12-A144 HydrophobicContact CB-CB 4.43Å; L12-A144 HydrophobicContact CD2-CB 3.63Å; A144-Q173 CarbonylContact O-C 3.48Å; A144-Q173 WeakPolarHBondContact O-CA 3.47Å; A144-L174 PolarHBondContact N-O 2.73Å; A144-L174 PolarHBondContact O-N 3.11Å
145E89.9Confident88.9Confident46 Ų4649.8 Ų49.822%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-75.6130.9172.4-68.5168.7178.200109.1R6 K169 Q173R6-E145 IonicContact NH2-OE2 3.92Å; R6-E145 PolarHBondContact NH2-OE2 3.31Å; E145-K169 WeakPolarHBondContact OE1-CD 3.41Å; E145-K169 WeakPolarHBondContact OE1-CE 3.29Å; E145-K169 IonicContact OE1-NZ 3.52Å; E145-K169 PolarHBondContact OE1-NZ 3.38Å; E145-Q173 HydrophobicContact CG-CG 4.43Å
146L88Confident88.2Confident16 Ų1646.8 Ų46.88%0.08428%0.281CS..  trans-90.6115.9-179.5-66.8164.1000109.7V9 D150 L154 V163 A172 L174V9-L146 HydrophobicContact CG1-CD2 3.81Å; V9-L146 HydrophobicContact CG2-CD2 3.89Å; L146-D150 HydrophobicContact CD2-CB 4.04Å; L146-L154 HydrophobicContact CD1-CD1 3.59Å; L146-L154 HydrophobicContact CD2-CD1 3.86Å; L146-L154 HydrophobicContact CG-CD1 4.35Å; L146-V163 HydrophobicContact CD1-CG1 3.8Å; L146-V163 HydrophobicContact CD1-CG2 4.27Å; L146-A172 HydrophobicContact CB-CB 4.2Å; L146-A172 HydrophobicContact CD1-CB 3.84Å; L146-A172 PolarHBondContact N-O 2.82Å; L146-L174 HydrophobicContact CD1-CB 4.36Å; L146-L174 HydrophobicContact CD2-CB 4.26Å; L146-L174 HydrophobicContact CG-CB 4.3Å
147N86.1Confident87.5Confident100 Ų10049 Ų4954%0.53530%0.304SS..  trans-87.4165.9169.5-63.3-31.4000110.3A149 D150 S151N147-A149 PolarHBondContact O-N 2.77Å; N147-A149 VanDerWaalsContact O-N 3.17Å; N147-D150 VanDerWaalsContact CB-OD2 3.32Å; N147-D150 WeakPolarHBondContact CB-OD2 3.38Å; N147-D150 PolarHBondContact N-OD2 2.99Å; N147-D150 WeakPolarHBondContact O-CB 3.47Å; N147-D150 PolarHBondContact O-N 3.17Å; N147-S151 PolarHBondContact O-N 3.44Å
148P81Confident87.1Confident88 Ų8846.5 Ų46.557%0.57130%0.298SS*.G310 helixtrans-54.7-34.8177.1-28.136.4000113.9D150 S151P148-D150 VanDerWaalsContact C-N 3.32Å; P148-D150 PolarHBondContact O-N 3.36Å; P148-S151 WeakPolarHBondContact O-CB 3.17Å; P148-S151 PolarHBondContact O-N 2.81Å; P148-S151 PolarHBondContact O-OG 3.29Å
149A81.9Confident86.8Confident87 Ų8744.8 Ų44.872%0.71929%0.288SS*.G310 helixtrans-65.5-3317600000112.9N147 S151N147-A149 PolarHBondContact O-N 2.77Å; N147-A149 VanDerWaalsContact O-N 3.17Å; A149-S151 PolarHBondContact O-N 2.91Å
150D81.8Confident86.3Confident38 Ų3845.1 Ų45.120%0.20329%0.289CS..G310 helixtrans-76.2-10.3-179.8-55.4-53.2000112.5V9 L146 N147 P148 A152 V153V9-D150 HydrophobicContact CB-CB 4.35Å; V9-D150 HydrophobicContact CG1-CB 4.34Å; V9-D150 HydrophobicContact CG2-CB 4.04Å; L146-D150 HydrophobicContact CD2-CB 4.04Å; N147-D150 VanDerWaalsContact CB-OD2 3.32Å; N147-D150 WeakPolarHBondContact CB-OD2 3.38Å; N147-D150 PolarHBondContact N-OD2 2.99Å; N147-D150 WeakPolarHBondContact O-CB 3.47Å; N147-D150 PolarHBondContact O-N 3.17Å; P148-D150 VanDerWaalsContact C-N 3.32Å; P148-D150 PolarHBondContact O-N 3.36Å; D150-A152 PolarHBondContact O-N 2.9Å; D150-A152 VanDerWaalsContact O-N 3.12Å; D150-V153 VanDerWaalsContact O-CB 3.24Å; D150-V153 WeakPolarHBondContact O-CB 3.21Å; D150-V153 WeakPolarHBondContact O-CG2 3.33Å; D150-V153 PolarHBondContact O-N 2.91Å
151S73.8Confident86Confident31 Ų3145.3 Ų45.322%0.21729%0.289CS..G310 helixtrans-60.4-23.4178.467.50000113.2N147 P148 A149 V153 L154N147-S151 PolarHBondContact O-N 3.44Å; P148-S151 WeakPolarHBondContact O-CB 3.17Å; P148-S151 PolarHBondContact O-N 2.81Å; P148-S151 PolarHBondContact O-OG 3.29Å; A149-S151 PolarHBondContact O-N 2.91Å; S151-V153 VanDerWaalsContact C-N 3.27Å; S151-V153 PolarHBondContact O-N 2.93Å; S151-L154 PolarHBondContact O-N 2.98Å
152A81.5Confident85.8Confident85 Ų8545.8 Ų45.870%0.70229%0.292SS*.G310 helixtrans-69.1-24.1175.700000113.4D150 L154D150-A152 PolarHBondContact O-N 2.9Å; D150-A152 VanDerWaalsContact O-N 3.12Å; A152-L154 PolarHBondContact O-N 3.25Å
153V85.1Confident85.5Confident33 Ų3346.5 Ų46.520%0.230%0.296CS..G310 helixtrans-68.5-21.9177.5-176.70000111.1V9 I37 D150 S151 N159V9-V153 HydrophobicContact CG1-CG1 4.27Å; I37-V153 HydrophobicContact CB-CG1 4.12Å; I37-V153 HydrophobicContact CD1-CG1 3.9Å; I37-V153 HydrophobicContact CG2-CG1 3.4Å; D150-V153 VanDerWaalsContact O-CB 3.24Å; D150-V153 WeakPolarHBondContact O-CB 3.21Å; D150-V153 WeakPolarHBondContact O-CG2 3.33Å; D150-V153 PolarHBondContact O-N 2.91Å; S151-V153 VanDerWaalsContact C-N 3.27Å; S151-V153 PolarHBondContact O-N 2.93Å; V153-N159 PolarHBondContact O-ND2 3.04Å
154L87Confident85.2Confident19 Ų1946.8 Ų46.810%0.09930%0.297CS..  trans-104.2122.4-168.6-73.1174000112.1M35 L146 S151 A152 N159 V163 R266M35-L154 HydrophobicContact CE-CD2 3.81Å; L146-L154 HydrophobicContact CD1-CD1 3.59Å; L146-L154 HydrophobicContact CD2-CD1 3.86Å; L146-L154 HydrophobicContact CG-CD1 4.35Å; S151-L154 PolarHBondContact O-N 2.98Å; A152-L154 PolarHBondContact O-N 3.25Å; L154-N159 WeakPolarHBondContact CA-OD1 3.49Å; L154-V163 HydrophobicContact CD1-CG2 4.25Å; L154-V163 HydrophobicContact CD2-CG2 4.05Å; L154-R266 VanDerWaalsContact CB-NH2 3.25Å
155R86.3Confident84.8Confident114 Ų11452.6 Ų52.643%0.4332%0.319SS..  trans-103.9130.6172.1-65.8-177.7-65.4-129.8-6.7109.1M35 N36 V158 N159 R266M35-R155 PolarHBondContact O-NH2 3.41Å; N36-R155 PolarHBondContact O-NH2 2.93Å; R155-V158 HydrophobicContact CB-CB 3.9Å; R155-V158 HydrophobicContact CB-CG1 4.49Å; R155-V158 HydrophobicContact CB-CG2 4.23Å; R155-V158 PolarHBondContact O-N 2.81Å; R155-N159 PolarHBondContact N-OD1 3.24Å; R155-N159 PolarHBondContact O-N 2.95Å; R155-N159 PolarHBondContact O-OD1 3.46Å; R155-R266 PolarHBondContact O-NH1 3.32Å
156A82Confident84.4Confident80 Ų8051.3 Ų51.366%0.66132%0.316SS*.THydrogen-bonded Turntrans-68.2130.6-177.700000111.8V158 R266A156-V158 PolarHBondContact O-N 2.82Å; A156-R266 VanDerWaalsContact CA-NH1 3.29Å
157G80.6Confident84Confident47 Ų4756.1 Ų56.149%0.48535%0.346SS..THydrogen-bonded Turntrans68.714.8-179.200000114.5D160G157-D160 VanDerWaalsContact CA-OD1 3.28Å; G157-D160 WeakPolarHBondContact CA-OD1 3.35Å; G157-D160 PolarHBondContact N-OD1 3.36Å; G157-D160 PolarHBondContact N-OD2 2.92Å; G157-D160 VanDerWaalsContact N-OD2 3.07Å
158V86.3Confident83.8Confident91 Ų9161.8 Ų61.855%0.55236%0.359SS*.THydrogen-bonded Turntrans-124-62.1-177.5179.30000110.6R155 A156 D160R155-V158 HydrophobicContact CB-CB 3.9Å; R155-V158 HydrophobicContact CB-CG1 4.49Å; R155-V158 HydrophobicContact CB-CG2 4.23Å; R155-V158 PolarHBondContact O-N 2.81Å; A156-V158 PolarHBondContact O-N 2.82Å; V158-D160 PolarHBondContact N-OD1 2.79Å
159N87.3Confident83.7Confident0 Ų062.1 Ų62.10%035%0.352CS..SBendtrans-124.833.5-175.567.7-1.4000112.5M35 V153 L154 R155 F161M35-N159 HydrophobicContact CE-CB 4.05Å; M35-N159 WeakPolarHBondContact CE-O 3.07Å; M35-N159 WeakPolarHBondContact O-CB 3.45Å; M35-N159 PolarHBondContact O-ND2 2.8Å; M35-N159 HydrophobicContact SD-CB 4.09Å; V153-N159 PolarHBondContact O-ND2 3.04Å; L154-N159 WeakPolarHBondContact CA-OD1 3.49Å; R155-N159 PolarHBondContact N-OD1 3.24Å; R155-N159 PolarHBondContact O-N 2.95Å; R155-N159 PolarHBondContact O-OD1 3.46Å; N159-F161 HydrophobicContact CB-CE1 4.43Å
160D86.4Confident83.7Confident6 Ų667.4 Ų67.43%0.03235%0.353CS..  trans-115.613.8-177.261.5-23.3000115G157 V158 S162 V163 R266G157-D160 VanDerWaalsContact CA-OD1 3.28Å; G157-D160 WeakPolarHBondContact CA-OD1 3.35Å; G157-D160 PolarHBondContact N-OD1 3.36Å; G157-D160 PolarHBondContact N-OD2 2.92Å; G157-D160 VanDerWaalsContact N-OD2 3.07Å; V158-D160 PolarHBondContact N-OD1 2.79Å; D160-S162 PolarHBondContact O-N 3.27Å; D160-V163 HydrophobicContact CB-CG2 4.4Å; D160-V163 PolarHBondContact O-N 2.66Å; D160-R266 WeakPolarHBondContact OD2-CD 3.43Å; D160-R266 IonicContact OD2-CZ 3.83Å; D160-R266 IonicContact OD2-NE 2.79Å; D160-R266 PolarHBondContact OD2-NE 2.93Å; D160-R266 IonicContact OD2-NH1 2.64Å; D160-R266 PolarHBondContact OD2-NH1 2.83Å
161F87.1Confident83.9Confident40 Ų4066.6 Ų66.618%0.17535%0.351CS..THydrogen-bonded Turntrans-56.7-29.8-177.851.5-96.5000113.4H33 M35 N159 L176H33-F161 HydrophobicContact CB-CD1 4.06Å; H33-F161 HydrophobicContact CB-CD2 4.28Å; H33-F161 HydrophobicContact CB-CE1 3.75Å; H33-F161 HydrophobicContact CB-CE2 3.99Å; H33-F161 HydrophobicContact CB-CG 4.33Å; H33-F161 HydrophobicContact CB-CZ 3.72Å; H33-F161 AromaticContact CD2-CE2 3.38Å; H33-F161 WeakPolarHBondContact CD2-CE2 3.22Å; H33-F161 AromaticContact CD2-CZ 3.46Å; H33-F161 VanDerWaalsContact CD2-CZ 3.46Å; H33-F161 WeakPolarHBondContact CD2-CZ 3.41Å; H33-F161 AromaticContact CE1-CD2 3.92Å; H33-F161 AromaticContact CE1-CE2 3.59Å; H33-F161 AromaticContact CG-CD2 3.86Å; H33-F161 AromaticContact CG-CE2 3.4Å; H33-F161 VanDerWaalsContact CG-CE2 3.4Å; H33-F161 AromaticContact CG-CZ 3.54Å; H33-F161 AromaticContact ND1-CD2 3.62Å; H33-F161 AromaticContact ND1-CE2 3.52Å; H33-F161 AromaticContact NE2-CE2 3.51Å; M35-F161 HydrophobicContact CG-CZ 4.45Å; M35-F161 HydrophobicContact SD-CE1 3.84Å; M35-F161 HydrophobicContact SD-CE2 4.48Å; M35-F161 HydrophobicContact SD-CZ 3.59Å; M35-F161 VanDerWaalsContact SD-CZ 3.59Å; N159-F161 HydrophobicContact CB-CE1 4.43Å; F161-L176 HydrophobicContact CE2-CD2 3.88Å; F161-L176 HydrophobicContact CZ-CD2 4.12Å
162S89.6Confident84.5Confident10 Ų1065.6 Ų65.67%0.0734%0.344CS..THydrogen-bonded Turntrans-122.426.4-175.364.90000114.5D160 W175D160-S162 PolarHBondContact O-N 3.27Å; S162-W175 WeakPolarHBondContact CB-O 3.25Å; S162-W175 PolarHBondContact O-N 2.82Å; S162-W175 VanDerWaalsContact O-N 3.1Å; S162-W175 PolarHBondContact OG-O 2.89Å
163V89.3Confident84.9Confident24 Ų2462.2 Ų62.215%0.14531%0.314CS..EExtended strand (participates in β ladder)trans-86.3113.4174.7179.20000110.4L146 L154 D160 A172 Q173 L174 F222L146-V163 HydrophobicContact CD1-CG1 3.8Å; L146-V163 HydrophobicContact CD1-CG2 4.27Å; L154-V163 HydrophobicContact CD1-CG2 4.25Å; L154-V163 HydrophobicContact CD2-CG2 4.05Å; D160-V163 HydrophobicContact CB-CG2 4.4Å; D160-V163 PolarHBondContact O-N 2.66Å; V163-A172 HydrophobicContact CG1-CB 4.17Å; V163-Q173 WeakPolarHBondContact CA-O 3.5Å; V163-L174 HydrophobicContact CG2-CD1 4.11Å; V163-F222 WeakPolarHBondContact O-CE2 3.43Å
164M85.5Confident85.3Confident24 Ų2460.6 Ų60.612%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-110.8151177.7-67.7-163.7-72.400112Q173 W175 F192M164-Q173 PolarHBondContact N-O 3.34Å; M164-Q173 PolarHBondContact O-N 3.14Å; M164-W175 HydrophobicContact CE-CB 4.21Å; M164-W175 HydrophobicContact CE-CD2 3.07Å; M164-W175 HydrophobicContact CE-CE3 3.32Å; M164-W175 HydrophobicContact CE-CG 3.46Å; M164-W175 VanDerWaalsContact CE-CG 3.46Å; M164-W175 HydrophobicContact CE-CH2 3.88Å; M164-W175 HydrophobicContact CE-CZ2 3.7Å; M164-W175 HydrophobicContact CE-CZ3 3.68Å; M164-F192 HydrophobicContact CE-CD2 4.12Å; M164-F192 HydrophobicContact CE-CE2 3.95Å; M164-F192 HydrophobicContact CE-CZ 4.36Å; M164-F192 HydrophobicContact SD-CD2 4.25Å; M164-F192 HydrophobicContact SD-CE2 3.91Å
165Y83.8Confident85.7Confident125 Ų12560.9 Ų60.949%0.4930%0.304SS..EExtended strand (participates in β ladder)trans-98122.1177-173.4-98.2000111.6T167 R170 Y269Y165-T167 HydrophobicContact CD1-CG2 4.22Å; Y165-T167 HydrophobicContact CE1-CG2 4.32Å; Y165-R170 WeakPolarHBondContact OH-CA 3.33Å; Y165-Y269 HydrophobicContact CD2-CE2 4.33Å; Y165-Y269 HydrophobicContact CE2-CD2 4.27Å; Y165-Y269 AromaticContact CE2-CE2 3.65Å; Y165-Y269 HydrophobicContact CE2-CE2 3.65Å
166S82.4Confident86.2Confident20 Ų2055.5 Ų55.514%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-85.7113.5172.8-172.40000110.6R168 K169 R170 C171S166-R168 VanDerWaalsContact C-N 3.32Å; S166-K169 PolarHBondContact OG-N 3.31Å; S166-R170 WeakPolarHBondContact O-CA 3.46Å; S166-R170 PolarHBondContact O-N 3.12Å; S166-C171 PolarHBondContact N-O 3.03Å; S166-C171 PolarHBondContact O-N 3.44Å
167T80.2Confident86.9Confident116 Ų11651.7 Ų51.771%0.71225%0.252SS*.THydrogen-bonded Turntrans-68.9-32.4173.154.60000112.4Y165 R170Y165-T167 HydrophobicContact CD1-CG2 4.22Å; Y165-T167 HydrophobicContact CE1-CG2 4.32Å; T167-R170 WeakPolarHBondContact O-CG 3.34Å
168R80.4Confident87.7Confident219 Ų21949.4 Ų49.483%0.82623%0.229SC*.THydrogen-bonded Turntrans-66.8-49.5177.5-179.2180176.9-176.3-0.4111.4S166S166-R168 VanDerWaalsContact C-N 3.32Å
169K79.7Confident88.1Confident96 Ų9645.3 Ų45.342%0.41721%0.205SC..THydrogen-bonded Turntrans-87.4-11.9-178.1-60-171.8177.3-177.10113.2E145 S166 C171E145-K169 WeakPolarHBondContact OE1-CD 3.41Å; E145-K169 WeakPolarHBondContact OE1-CE 3.29Å; E145-K169 IonicContact OE1-NZ 3.52Å; E145-K169 PolarHBondContact OE1-NZ 3.38Å; S166-K169 PolarHBondContact OG-N 3.31Å; K169-C171 VanDerWaalsContact CB-SG 3.6Å; K169-C171 PolarHBondContact O-N 3.24Å
170R82.8Confident88.6Confident198 Ų19846.1 Ų46.175%0.74721%0.211SC*.THydrogen-bonded Turntrans55.337.2-177.5-58.4-178.7173.9179.3-1113Y165 S166 T167Y165-R170 WeakPolarHBondContact OH-CA 3.33Å; S166-R170 WeakPolarHBondContact O-CA 3.46Å; S166-R170 PolarHBondContact O-N 3.12Å; T167-R170 WeakPolarHBondContact O-CG 3.34Å
171C84.6Confident89.1Confident21 Ų2146.1 Ų46.114%0.14221%0.211CC..EExtended strand (participates in β ladder)trans-139157.3178.965.30000111.1S166 K169S166-C171 PolarHBondContact N-O 3.03Å; S166-C171 PolarHBondContact O-N 3.44Å; K169-C171 VanDerWaalsContact CB-SG 3.6Å; K169-C171 PolarHBondContact O-N 3.24Å
172A87.4Confident89.6Confident10 Ų1044.3 Ų44.38%0.08320%0.203CC..EExtended strand (participates in β ladder)trans-73145.6166.200000109.9L146 V163 Y269L146-A172 HydrophobicContact CB-CB 4.2Å; L146-A172 HydrophobicContact CD1-CB 3.84Å; L146-A172 PolarHBondContact N-O 2.82Å; V163-A172 HydrophobicContact CG1-CB 4.17Å; A172-Y269 HydrophobicContact CB-CE1 3.83Å
173Q90.3Very high90Very high13 Ų1344.4 Ų44.46%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-132.3132.5180-61.7-171.5-60.600108.5I143 A144 E145 V163 M164I143-Q173 HydrophobicContact CG2-CB 3.77Å; I143-Q173 HydrophobicContact CG2-CG 4.17Å; A144-Q173 CarbonylContact O-C 3.48Å; A144-Q173 WeakPolarHBondContact O-CA 3.47Å; E145-Q173 HydrophobicContact CG-CG 4.43Å; V163-Q173 WeakPolarHBondContact CA-O 3.5Å; M164-Q173 PolarHBondContact N-O 3.34Å; M164-Q173 PolarHBondContact O-N 3.14Å
174L92.7Very high90.4Very high0 Ų043.4 Ų43.40%020%0.196CC..EExtended strand (participates in β ladder)trans-86.5130.1169.117864.9000108.7V9 C13 M35 I143 A144 L146 V163 L176V9-L174 HydrophobicContact CG1-CD2 4.13Å; C13-L174 WeakPolarHBondContact SG-CD2 3.44Å; M35-L174 HydrophobicContact CE-CD1 3.8Å; M35-L174 HydrophobicContact CE-CD2 3.96Å; M35-L174 HydrophobicContact SD-CD1 4.1Å; I143-L174 WeakPolarHBondContact CA-O 3.4Å; A144-L174 PolarHBondContact N-O 2.73Å; A144-L174 PolarHBondContact O-N 3.11Å; L146-L174 HydrophobicContact CD1-CB 4.36Å; L146-L174 HydrophobicContact CD2-CB 4.26Å; L146-L174 HydrophobicContact CG-CB 4.3Å; V163-L174 HydrophobicContact CG2-CD1 4.11Å; L174-L176 HydrophobicContact CD1-CD2 4.38Å; L174-L176 HydrophobicContact CD1-CG 4.35Å; L174-L176 HydrophobicContact CD2-CD1 4.17Å; L174-L176 HydrophobicContact CD2-CG 4.42Å; L174-L176 HydrophobicContact CG-CD1 4.45Å; L174-L176 HydrophobicContact CG-CG 4.17Å
175W94.1Very high91.1Very high25 Ų2542.8 Ų42.810%0.09519%0.193CC..EExtended strand (participates in β ladder)trans-117.9118.9179.2-70.959.1000109.4C142 I143 S162 M164 F192 A200C142-W175 WeakPolarHBondContact O-CA 3.21Å; I143-W175 HydrophobicContact CD1-CD2 4.04Å; I143-W175 HydrophobicContact CD1-CE3 4.23Å; I143-W175 HydrophobicContact CD1-CH2 3.67Å; I143-W175 HydrophobicContact CD1-CZ2 3.41Å; I143-W175 VanDerWaalsContact CD1-CZ2 3.41Å; I143-W175 HydrophobicContact CD1-CZ3 4.1Å; I143-W175 HydrophobicContact CG1-CD2 3.72Å; I143-W175 HydrophobicContact CG1-CE3 4.09Å; I143-W175 HydrophobicContact CG1-CG 4.2Å; I143-W175 HydrophobicContact CG1-CH2 4.4Å; I143-W175 HydrophobicContact CG1-CZ2 4.04Å; I143-W175 HydrophobicContact CG1-CZ3 4.44Å; S162-W175 WeakPolarHBondContact CB-O 3.25Å; S162-W175 PolarHBondContact O-N 2.82Å; S162-W175 VanDerWaalsContact O-N 3.1Å; S162-W175 PolarHBondContact OG-O 2.89Å; M164-W175 HydrophobicContact CE-CB 4.21Å; M164-W175 HydrophobicContact CE-CD2 3.07Å; M164-W175 HydrophobicContact CE-CE3 3.32Å; M164-W175 HydrophobicContact CE-CG 3.46Å; M164-W175 VanDerWaalsContact CE-CG 3.46Å; M164-W175 HydrophobicContact CE-CH2 3.88Å; M164-W175 HydrophobicContact CE-CZ2 3.7Å; M164-W175 HydrophobicContact CE-CZ3 3.68Å; W175-F192 HydrophobicContact CH2-CB 4.15Å; W175-F192 HydrophobicContact CH2-CG 4.36Å; W175-F192 HydrophobicContact CZ3-CB 4.17Å; W175-F192 AromaticContact CZ3-CD1 3.85Å; W175-F192 HydrophobicContact CZ3-CD1 3.85Å; W175-F192 HydrophobicContact CZ3-CE1 4.4Å; W175-F192 AromaticContact CZ3-CG 3.98Å; W175-F192 HydrophobicContact CZ3-CG 3.98Å; W175-A200 HydrophobicContact CE3-CB 4.01Å; W175-A200 HydrophobicContact CH2-CB 3.34Å; W175-A200 HydrophobicContact CZ2-CB 4.43Å; W175-A200 HydrophobicContact CZ3-CB 3.08Å
176L96.9Very high91.7Very high0 Ų038.8 Ų38.80%018%0.183CC..EExtended strand (participates in β ladder)trans-128.7178.7176.6-66.1-177.3000110.7L12 D16 M35 G141 C142 F161 L174L12-L176 HydrophobicContact CD1-CB 4.03Å; L12-L176 HydrophobicContact CD2-CB 4.38Å; L12-L176 HydrophobicContact CG-CB 4.09Å; L12-L176 HydrophobicContact CG-CD1 3.94Å; L12-L176 HydrophobicContact CG-CG 4.29Å; D16-L176 HydrophobicContact CB-CB 3.91Å; D16-L176 HydrophobicContact CB-CD1 3.53Å; D16-L176 HydrophobicContact CB-CG 4.24Å; M35-L176 HydrophobicContact CG-CD1 3.72Å; M35-L176 HydrophobicContact CG-CD2 4.28Å; M35-L176 HydrophobicContact SD-CD1 4.4Å; M35-L176 HydrophobicContact SD-CD2 4.15Å; G141-L176 CarbonylContact C-O 3.48Å; G141-L176 WeakPolarHBondContact CA-O 3.3Å; C142-L176 PolarHBondContact N-O 2.89Å; C142-L176 PolarHBondContact O-N 2.6Å; F161-L176 HydrophobicContact CE2-CD2 3.88Å; F161-L176 HydrophobicContact CZ-CD2 4.12Å; L174-L176 HydrophobicContact CD1-CD2 4.38Å; L174-L176 HydrophobicContact CD1-CG 4.35Å; L174-L176 HydrophobicContact CD2-CD1 4.17Å; L174-L176 HydrophobicContact CD2-CG 4.42Å; L174-L176 HydrophobicContact CG-CD1 4.45Å; L174-L176 HydrophobicContact CG-CG 4.17Å
177G96.8Very high92.5Very high0 Ų044.2 Ų44.20%021%0.205CC..SBendtrans90.2-176.1-170.600000113.4D16 Y97 A179 A180D16-G177 PolarHBondContact OD1-N 2.92Å; Y97-G177 VanDerWaalsContact OH-C 3.29Å; Y97-G177 WeakPolarHBondContact OH-CA 3.31Å; Y97-G177 PolarHBondContact OH-N 2.65Å; G177-A179 PolarHBondContact O-N 3.16Å; G177-A180 VanDerWaalsContact O-CB 3.26Å; G177-A180 WeakPolarHBondContact O-CB 3.08Å; G177-A180 PolarHBondContact O-N 3.03Å
178P97.1Very high93.3Very high0 Ų039.6 Ų39.60%018%0.176CC..G310 helixtrans-50.4-37.2-174.2-3135.1000115.5R96 Y97 A100 F101 L139 L140 A180 F181R96-P178 HydrophobicContact CB-CG 4.2Å; Y97-P178 HydrophobicContact CD1-CG 3.99Å; Y97-P178 HydrophobicContact CE1-CG 4.07Å; Y97-P178 HydrophobicContact CG-CG 4.39Å; A100-P178 HydrophobicContact CB-CB 3.92Å; A100-P178 HydrophobicContact CB-CG 3.91Å; F101-P178 HydrophobicContact CE2-CB 3.91Å; F101-P178 HydrophobicContact CE2-CG 4.26Å; F101-P178 HydrophobicContact CZ-CB 3.98Å; L139-P178 HydrophobicContact CD2-CB 4.24Å; L140-P178 WeakPolarHBondContact O-CD 3.39Å; P178-A180 PolarHBondContact O-N 3.26Å; P178-F181 PolarHBondContact O-N 3.38Å
179A96.6Very high94.2Very high5 Ų529.2 Ų29.24%0.04114%0.137CC..G310 helixtrans-69.7-15.9-179.900000114.3L140 G177 F181 I182 F192L140-A179 WeakPolarHBondContact O-CB 3.48Å; L140-A179 PolarHBondContact O-N 2.67Å; G177-A179 PolarHBondContact O-N 3.16Å; A179-F181 PolarHBondContact O-N 2.86Å; A179-I182 HydrophobicContact CB-CD1 4.01Å; A179-I182 WeakPolarHBondContact O-CB 3.36Å; A179-I182 WeakPolarHBondContact O-CG1 3.39Å; A179-I182 PolarHBondContact O-N 3.13Å; A179-F192 HydrophobicContact CB-CE1 4.42Å
180A96.6Very high95.1Very high16 Ų1624.6 Ų24.613%0.13212%0.117CC..G310 helixtrans-70.3-13.7177.500000113.2G177 P178G177-A180 VanDerWaalsContact O-CB 3.26Å; G177-A180 WeakPolarHBondContact O-CB 3.08Å; G177-A180 PolarHBondContact O-N 3.03Å; P178-A180 PolarHBondContact O-N 3.26Å
181F97.4Very high95.8Very high7 Ų719.3 Ų19.33%0.03110%0.099CC..G310 helixtrans-91.2-0.1175.5-69-82.4000113.7T20 L24 T32 H33 Y97 I109 A122 I124 P178 A179 N183T20-F181 HydrophobicContact CG2-CE2 4.35Å; T20-F181 HydrophobicContact CG2-CZ 4.3Å; L24-F181 HydrophobicContact CD1-CD2 4.09Å; L24-F181 HydrophobicContact CD1-CE1 4.25Å; L24-F181 HydrophobicContact CD1-CE2 3.35Å; L24-F181 HydrophobicContact CD1-CZ 3.43Å; L24-F181 VanDerWaalsContact CD1-CZ 3.43Å; T32-F181 HydrophobicContact CG2-CE1 4.03Å; T32-F181 HydrophobicContact CG2-CZ 4.28Å; H33-F181 AromaticContact CD2-CZ 3.9Å; H33-F181 AromaticContact CE1-CD1 3.77Å; H33-F181 AromaticContact CE1-CE1 3.47Å; H33-F181 VanDerWaalsContact CE1-CE1 3.47Å; H33-F181 WeakPolarHBondContact CE1-CE1 3.35Å; H33-F181 AromaticContact CE1-CE2 3.79Å; H33-F181 AromaticContact CE1-CZ 3.48Å; H33-F181 VanDerWaalsContact CE1-CZ 3.48Å; H33-F181 WeakPolarHBondContact CE1-CZ 3.29Å; H33-F181 AromaticContact ND1-CE1 3.76Å; H33-F181 AromaticContact NE2-CE1 3.83Å; H33-F181 AromaticContact NE2-CE2 3.59Å; H33-F181 AromaticContact NE2-CZ 3.34Å; H33-F181 VanDerWaalsContact NE2-CZ 3.34Å; H33-F181 WeakPolarHBondContact NE2-CZ 3.35Å; Y97-F181 AromaticContact CE1-CE2 4Å; Y97-F181 HydrophobicContact CE1-CE2 4Å; I109-F181 HydrophobicContact CD1-CB 4.31Å; I109-F181 HydrophobicContact CD1-CD1 3.9Å; I109-F181 HydrophobicContact CD1-CD2 4.3Å; I109-F181 HydrophobicContact CD1-CE1 4.26Å; I109-F181 HydrophobicContact CD1-CG 3.9Å; A122-F181 HydrophobicContact CB-CD1 3.85Å; A122-F181 HydrophobicContact CB-CE1 4.24Å; I124-F181 HydrophobicContact CD1-CB 3.83Å; I124-F181 HydrophobicContact CG1-CB 4.02Å; P178-F181 PolarHBondContact O-N 3.38Å; A179-F181 PolarHBondContact O-N 2.86Å; F181-N183 PolarHBondContact O-N 2.9Å
182I98.1Very high96.2Very high1 Ų120.2 Ų20.21%0.00510%0.101CC..PPolyproline II helixtrans-76.9116.1175.8-63.5169.8000108.3I124 L139 A179 F192 V202 I214 C216 Y218I124-I182 HydrophobicContact CG1-CG1 4.17Å; L139-I182 HydrophobicContact CB-CD1 4.4Å; L139-I182 HydrophobicContact CD1-CD1 3.91Å; L139-I182 HydrophobicContact CD1-CG1 4.33Å; L139-I182 HydrophobicContact CD2-CD1 4.5Å; A179-I182 HydrophobicContact CB-CD1 4.01Å; A179-I182 WeakPolarHBondContact O-CB 3.36Å; A179-I182 WeakPolarHBondContact O-CG1 3.39Å; A179-I182 PolarHBondContact O-N 3.13Å; I182-F192 HydrophobicContact CD1-CE1 4.1Å; I182-V202 HydrophobicContact CD1-CG2 3.5Å; I182-V202 VanDerWaalsContact CD1-CG2 3.5Å; I182-I214 HydrophobicContact CG2-CG2 4.39Å; I182-C216 HydrophobicContact CG2-CB 3.77Å; I182-Y218 WeakPolarHBondContact O-CE1 3.36Å; I182-Y218 VanDerWaalsContact O-CZ 3.3Å; I182-Y218 PolarHBondContact O-OH 2.71Å
183N98Very high96.3Very high12 Ų1221.1 Ų21.16%0.06410%0.104CC..EExtended strand (participates in β ladder)trans-73.5163-179.7-67.8-47.6000113.7Y115 A122 K123 F181 E213 T215 C216 Y218Y115-N183 HydrophobicContact CE2-CB 3.88Å; Y115-N183 VanDerWaalsContact CE2-CG 3.4Å; Y115-N183 WeakPolarHBondContact OH-CB 3.19Å; A122-N183 PolarHBondContact O-ND2 2.97Å; K123-N183 VanDerWaalsContact CB-ND2 3.25Å; K123-N183 WeakPolarHBondContact CB-ND2 3.36Å; F181-N183 PolarHBondContact O-N 2.9Å; N183-E213 WeakPolarHBondContact CB-OE1 3.32Å; N183-E213 PolarHBondContact ND2-OE1 3.46Å; N183-T215 WeakPolarHBondContact O-CA 3.36Å; N183-C216 PolarHBondContact O-N 3.49Å; N183-Y218 VanDerWaalsContact CA-OH 3.26Å; N183-Y218 WeakPolarHBondContact CA-OH 3.28Å
184H97.6Very high96Very high3 Ų325.6 Ų25.61%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-78.3135.5174.9-178.197000112.3C186 C216 Y217 Y218 F223 C230 C232H184-C186 PolarHBondContact NE2-SG 2.79Å; H184-C216 VanDerWaalsContact CA-O 3.28Å; H184-C216 WeakPolarHBondContact CA-O 3.23Å; H184-Y217 AromaticContact CE1-CD2 3.41Å; H184-Y217 VanDerWaalsContact CE1-CD2 3.41Å; H184-Y217 WeakPolarHBondContact CE1-CD2 3.41Å; H184-Y217 AromaticContact CE1-CE2 3.75Å; H184-Y217 AromaticContact NE2-CD2 3.97Å; H184-Y218 HydrophobicContact CB-CD1 4.23Å; H184-Y218 HydrophobicContact CB-CD2 3.76Å; H184-Y218 HydrophobicContact CB-CE1 4.14Å; H184-Y218 HydrophobicContact CB-CE2 3.67Å; H184-Y218 HydrophobicContact CB-CG 4.05Å; H184-Y218 PolarHBondContact N-OH 2.87Å; H184-Y218 AromaticContact ND1-CD2 3.94Å; H184-Y218 AromaticContact ND1-CG 3.62Å; H184-Y218 PolarHBondContact ND1-N 3.14Å; H184-F223 HydrophobicContact CB-CE2 3.57Å; H184-F223 HydrophobicContact CB-CZ 3.96Å; H184-F223 AromaticContact CD2-CE2 3.81Å; H184-F223 AromaticContact CG-CE2 3.53Å; H184-F223 AromaticContact ND1-CE2 3.94Å; H184-C230 VanDerWaalsContact CD2-SG 3.53Å; H184-C232 WeakPolarHBondContact O-CB 3.36Å
185D98.6Very high95.4Very high11 Ų1127.5 Ų27.56%0.05915%0.154CC..  trans-134140.8156.3-167.7-79.3000111K187 P188 T215 C216 C232 C233 T234D185-K187 PolarHBondContact O-N 2.99Å; D185-K187 WeakPolarHBondContact OD1-CA 3.41Å; D185-K187 PolarHBondContact OD1-N 3.34Å; D185-P188 VanDerWaalsContact O-CD 3.29Å; D185-P188 WeakPolarHBondContact O-CD 3.29Å; D185-T215 HydrophobicContact CB-CG2 3.97Å; D185-C216 PolarHBondContact N-O 2.94Å; D185-C232 HydrophobicContact CB-CB 4.21Å; D185-C233 PolarHBondContact OD2-N 3.16Å; D185-T234 VanDerWaalsContact OD1-CB 3.23Å; D185-T234 WeakPolarHBondContact OD1-CB 3.26Å; D185-T234 PolarHBondContact OD1-OG1 3.02Å; D185-T234 PolarHBondContact OD2-N 3.35Å; D185-T234 VanDerWaalsContact OD2-N 3.08Å; D185-T234 PolarHBondContact OD2-OG1 3.33Å
186C97.7Very high94.7Very high42 Ų4234 Ų3428%0.28419%0.186SC..SBendtrans-67.2-19.4179.2-80.60000113.2H184 C232 T234 C235H184-C186 PolarHBondContact NE2-SG 2.79Å; C186-C232 PolarHBondContact N-SG 3.41Å; C186-C232 VanDerWaalsContact N-SG 3.38Å; C186-T234 HydrophobicContact CB-CG2 4.12Å; C186-C235 VanDerWaalsContact SG-SG 3.67Å
187K97.9Very high93.8Very high134 Ų13439.1 Ų39.158%0.58321%0.208SC*.SBendtrans-127.471.6170.2-170-178.7179.4-177.30108.4D185 R206 T234D185-K187 PolarHBondContact O-N 2.99Å; D185-K187 WeakPolarHBondContact OD1-CA 3.41Å; D185-K187 PolarHBondContact OD1-N 3.34Å; K187-R206 PolarHBondContact O-NH2 2.67Å; K187-T234 HydrophobicContact CB-CG2 3.89Å
188P98.5Very high93.2Very high18 Ų1840.6 Ų40.612%0.11722%0.216CC..  trans-69.3163.6-171.634.7-40.2000112.3D185 C190 I205 R206 T215D185-P188 VanDerWaalsContact O-CD 3.29Å; D185-P188 WeakPolarHBondContact O-CD 3.29Å; P188-C190 WeakPolarHBondContact CB-O 3.49Å; P188-I205 HydrophobicContact CG-CD1 4.25Å; P188-R206 VanDerWaalsContact C-NH2 3.26Å; P188-R206 PolarHBondContact O-NE 2.92Å; P188-R206 PolarHBondContact O-NH2 2.7Å; P188-T215 VanDerWaalsContact CB-O 3.26Å; P188-T215 WeakPolarHBondContact CB-O 3.39Å
189N98.6Very high92.8Very high1 Ų141.8 Ų41.81%0.00522%0.222CC..SBendtrans-97-11.4169.654.819.3000113.1I205 R206 I208 E212 E213 T215N189-I205 VanDerWaalsContact C-CG1 3.46Å; N189-I205 WeakPolarHBondContact O-CG1 3.14Å; N189-I205 PolarHBondContact O-N 3.05Å; N189-R206 HydrophobicContact CB-CB 4.21Å; N189-R206 PolarHBondContact O-N 3.01Å; N189-I208 HydrophobicContact CB-CD1 4.01Å; N189-I208 HydrophobicContact CB-CG1 3.95Å; N189-E212 PolarHBondContact ND2-OE1 3.06Å; N189-E213 PolarHBondContact ND2-O 2.89Å; N189-T215 PolarHBondContact N-O 3.43Å; N189-T215 PolarHBondContact N-OG1 3.35Å; N189-T215 PolarHBondContact OD1-N 3.18Å; N189-T215 PolarHBondContact OD1-O 3Å; N189-T215 PolarHBondContact OD1-OG1 2.64Å
190C98.6Very high92.5Very high0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-127.5165.5175.6-74.60000113.1P188 V202 E203 I214 T215P188-C190 WeakPolarHBondContact CB-O 3.49Å; C190-V202 HydrophobicContact CB-CG1 3.42Å; C190-V202 VanDerWaalsContact CB-CG1 3.42Å; C190-E203 CarbonylContact C-O 3.52Å; C190-E203 VanDerWaalsContact CA-O 3.29Å; C190-E203 WeakPolarHBondContact CA-O 3.28Å; C190-I214 HydrophobicContact CB-CG2 4.21Å; C190-T215 WeakPolarHBondContact CB-O 3.38Å; C190-T215 PolarHBondContact N-O 3.08Å
191K96.6Very high92.3Very high86 Ų8641.8 Ų41.837%0.37422%0.22SC..EExtended strand (participates in β ladder)trans-135.2151.8167.469.5-178.9174.2-171.30110.5E203 I205K191-E203 WeakPolarHBondContact CE-OE1 3.39Å; K191-E203 HydrophobicContact CG-CB 4.35Å; K191-E203 PolarHBondContact N-O 2.68Å; K191-E203 IonicContact NZ-OE1 3.52Å; K191-E203 PolarHBondContact NZ-OE1 2.56Å; K191-E203 PolarHBondContact O-N 3.02Å; K191-I205 HydrophobicContact CB-CG2 4.27Å; K191-I205 HydrophobicContact CD-CG2 3.68Å; K191-I205 HydrophobicContact CG-CG2 3.73Å
192F93.6Very high92.2Very high40 Ų4041.4 Ų41.418%0.17522%0.219CC..EExtended strand (participates in β ladder)trans-73.1134.8170.4-61.6-66.2000110.9M164 W175 A179 I182 V202 C216 Y218M164-F192 HydrophobicContact CE-CD2 4.12Å; M164-F192 HydrophobicContact CE-CE2 3.95Å; M164-F192 HydrophobicContact CE-CZ 4.36Å; M164-F192 HydrophobicContact SD-CD2 4.25Å; M164-F192 HydrophobicContact SD-CE2 3.91Å; W175-F192 HydrophobicContact CH2-CB 4.15Å; W175-F192 HydrophobicContact CH2-CG 4.36Å; W175-F192 HydrophobicContact CZ3-CB 4.17Å; W175-F192 AromaticContact CZ3-CD1 3.85Å; W175-F192 HydrophobicContact CZ3-CD1 3.85Å; W175-F192 HydrophobicContact CZ3-CE1 4.4Å; W175-F192 AromaticContact CZ3-CG 3.98Å; W175-F192 HydrophobicContact CZ3-CG 3.98Å; A179-F192 HydrophobicContact CB-CE1 4.42Å; I182-F192 HydrophobicContact CD1-CE1 4.1Å; F192-V202 HydrophobicContact CD1-CG2 4.27Å; F192-V202 HydrophobicContact CE1-CG2 4.4Å; F192-C216 HydrophobicContact CD2-CB 4.04Å; F192-C216 HydrophobicContact CE1-CB 4.34Å; F192-C216 HydrophobicContact CE2-CB 3.44Å; F192-C216 VanDerWaalsContact CE2-CB 3.44Å; F192-C216 HydrophobicContact CZ-CB 3.62Å; F192-Y218 HydrophobicContact CE2-CD1 4.25Å
193L90.6Very high92.2Very high29 Ų2943.2 Ų43.215%0.15223%0.227CC..EExtended strand (participates in β ladder)trans-107.6128.8167.8-67.5-174.6000109.2R135 G195 A200 C201 E203R135-L193 HydrophobicContact CG-CD1 4.46Å; L193-G195 PolarHBondContact O-N 2.9Å; L193-A200 VanDerWaalsContact O-CA 3.26Å; L193-A200 WeakPolarHBondContact O-CA 3.43Å; L193-A200 VanDerWaalsContact O-CB 3.3Å; L193-A200 WeakPolarHBondContact O-CB 3.3Å; L193-C201 PolarHBondContact N-O 3.49Å; L193-C201 PolarHBondContact O-N 2.95Å; L193-E203 HydrophobicContact CD1-CB 3.62Å; L193-E203 HydrophobicContact CD1-CG 4.36Å; L193-E203 HydrophobicContact CD2-CB 4.26Å; L193-E203 HydrophobicContact CG-CB 3.75Å
194P83.8Confident92.2Very high108 Ų10842.7 Ų42.770%0.70122%0.224SC*.EExtended strand (participates in β ladder)trans-66.6122.6169.128.7-31.5000108.7
195G80.2Confident92.2Very high40 Ų4045.5 Ų45.541%0.41224%0.239SC..  trans-94.3-171.6170.400000111.8L193 I199L193-G195 PolarHBondContact O-N 2.9Å; G195-I199 CarbonylContact C-O 3.55Å; G195-I199 WeakPolarHBondContact CA-O 3.4Å; G195-I199 PolarHBondContact N-O 3.47Å
196E78.5Confident92.2Very high160 Ų16048.9 Ų48.975%0.74825%0.251SS*.SBendtrans-77.9160.6174.4-62-175.1-178.400111.6N198 I199E196-N198 VanDerWaalsContact C-N 3.29Å; E196-N198 PolarHBondContact O-N 3.45Å; E196-N198 VanDerWaalsContact O-N 3.12Å; E196-I199 PolarHBondContact O-N 3.02Å
197K78Confident92.2Very high108 Ų10851 Ų5147%0.4726%0.264SS..THydrogen-bonded Turntrans52.738.3168.7-57.1-179.9-177177.60115.2Y4 I199Y4-K197 HydrophobicContact CD2-CD 4.41Å; K197-I199 VanDerWaalsContact C-N 3.28Å; K197-I199 PolarHBondContact O-N 2.61Å
198N84.2Confident92.3Very high32 Ų3244.7 Ų44.717%0.17124%0.237CC..THydrogen-bonded Turntrans62.431.2-178.8-53.1-54.2000114.3I143 E196I143-N198 HydrophobicContact CB-CB 4.18Å; I143-N198 VanDerWaalsContact CB-O 3.29Å; I143-N198 WeakPolarHBondContact CB-O 3.33Å; I143-N198 WeakPolarHBondContact CG1-O 3.35Å; I143-N198 PolarHBondContact N-O 3.39Å; I143-N198 VanDerWaalsContact O-CB 3.27Å; I143-N198 WeakPolarHBondContact O-CB 3.09Å; E196-N198 VanDerWaalsContact C-N 3.29Å; E196-N198 PolarHBondContact O-N 3.45Å; E196-N198 VanDerWaalsContact O-N 3.12Å
199I89.4Confident92.3Very high24 Ų2446.7 Ų46.712%0.12325%0.251CS..EExtended strand (participates in β ladder)trans-103.9147.3166.4-60.8175.4000108Y4 L140 G141 G195 E196 K197Y4-I199 HydrophobicContact CD1-CD1 3.62Å; Y4-I199 HydrophobicContact CE1-CD1 3.78Å; Y4-I199 HydrophobicContact CG-CD1 4.11Å; L140-I199 HydrophobicContact CB-CG2 4.3Å; L140-I199 HydrophobicContact CD2-CG2 3.87Å; G141-I199 CarbonylContact O-C 3.56Å; G141-I199 VanDerWaalsContact O-CA 3.29Å; G141-I199 WeakPolarHBondContact O-CA 3.26Å; G195-I199 CarbonylContact C-O 3.55Å; G195-I199 WeakPolarHBondContact CA-O 3.4Å; G195-I199 PolarHBondContact N-O 3.47Å; E196-I199 PolarHBondContact O-N 3.02Å; K197-I199 VanDerWaalsContact C-N 3.28Å; K197-I199 PolarHBondContact O-N 2.61Å
200A91Very high92.3Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-121.8151164.400000110.6L140 G141 I143 W175 L193L140-A200 WeakPolarHBondContact CA-O 3.47Å; G141-A200 PolarHBondContact N-O 3.37Å; G141-A200 PolarHBondContact O-N 2.75Å; I143-A200 HydrophobicContact CD1-CB 3.84Å; W175-A200 HydrophobicContact CE3-CB 4.01Å; W175-A200 HydrophobicContact CH2-CB 3.34Å; W175-A200 HydrophobicContact CZ2-CB 4.43Å; W175-A200 HydrophobicContact CZ3-CB 3.08Å; L193-A200 VanDerWaalsContact O-CA 3.26Å; L193-A200 WeakPolarHBondContact O-CA 3.43Å; L193-A200 VanDerWaalsContact O-CB 3.3Å; L193-A200 WeakPolarHBondContact O-CB 3.3Å
201C90.7Very high92.2Very high21 Ų2152.4 Ų52.414%0.14230%0.298CS..EExtended strand (participates in β ladder)trans-122.1-179.1171.7660000109.9L140 L193L140-C201 HydrophobicContact CD2-CB 4.3Å; L193-C201 PolarHBondContact N-O 3.49Å; L193-C201 PolarHBondContact O-N 2.95Å
202V95.9Very high92.3Very high0 Ų051.3 Ų51.30%030%0.295CS..EExtended strand (participates in β ladder)trans-120.6132-173.5-177.20000109.4R135 V136 L139 I182 C190 F192R135-V202 CarbonylContact C-O 3.34Å; R135-V202 WeakPolarHBondContact CA-O 3.4Å; V136-V202 HydrophobicContact CB-CB 4.34Å; V136-V202 PolarHBondContact N-O 2.86Å; L139-V202 HydrophobicContact CB-CB 4.33Å; L139-V202 HydrophobicContact CB-CG2 3.79Å; L139-V202 HydrophobicContact CD1-CG2 4.43Å; I182-V202 HydrophobicContact CD1-CG2 3.5Å; I182-V202 VanDerWaalsContact CD1-CG2 3.5Å; C190-V202 HydrophobicContact CB-CG1 3.42Å; C190-V202 VanDerWaalsContact CB-CG1 3.42Å; F192-V202 HydrophobicContact CD1-CG2 4.27Å; F192-V202 HydrophobicContact CE1-CG2 4.4Å
203E97.8Very high92.6Very high39 Ų3951 Ų5118%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-113.7134.9173.4-177-176.298.500110.5E134 C190 K191 L193E134-E203 WeakPolarHBondContact O-CA 3.49Å; C190-E203 CarbonylContact C-O 3.52Å; C190-E203 VanDerWaalsContact CA-O 3.29Å; C190-E203 WeakPolarHBondContact CA-O 3.28Å; K191-E203 WeakPolarHBondContact CE-OE1 3.39Å; K191-E203 HydrophobicContact CG-CB 4.35Å; K191-E203 PolarHBondContact N-O 2.68Å; K191-E203 IonicContact NZ-OE1 3.52Å; K191-E203 PolarHBondContact NZ-OE1 2.56Å; K191-E203 PolarHBondContact O-N 3.02Å; L193-E203 HydrophobicContact CD1-CB 3.62Å; L193-E203 HydrophobicContact CD1-CG 4.36Å; L193-E203 HydrophobicContact CD2-CB 4.26Å; L193-E203 HydrophobicContact CG-CB 3.75Å
204V98.6Very high93Very high0 Ų049.6 Ų49.60%029%0.286CS..EExtended strand (participates in β ladder)trans-75.5123.1178.1179.70000109.2W130 F131 G133 E134 V136 R206 I208W130-V204 HydrophobicContact CB-CG1 4.26Å; W130-V204 HydrophobicContact CB-CG2 3.95Å; W130-V204 HydrophobicContact CE3-CG2 4.25Å; W130-V204 HydrophobicContact CG-CG2 4.43Å; F131-V204 WeakPolarHBondContact O-CB 3.45Å; F131-V204 VanDerWaalsContact O-CG1 3.32Å; F131-V204 WeakPolarHBondContact O-CG1 3.38Å; G133-V204 PolarHBondContact N-O 3.04Å; E134-V204 HydrophobicContact CB-CG2 4.38Å; E134-V204 WeakPolarHBondContact O-CG2 3.17Å; E134-V204 PolarHBondContact O-N 3.05Å; V136-V204 HydrophobicContact CG2-CG2 4.03Å; V204-R206 WeakPolarHBondContact CG1-O 3.18Å; V204-I208 HydrophobicContact CG1-CD1 4.05Å; V204-I208 HydrophobicContact CG1-CG1 4.04Å; V204-I208 HydrophobicContact CG2-CD1 4.22Å
205I98.5Very high93.7Very high63 Ų6345 Ų4532%0.32326%0.256SS..SBendtrans-111.3-10.2-179.560.2166.2000113.2P188 N189 K191P188-I205 HydrophobicContact CG-CD1 4.25Å; N189-I205 VanDerWaalsContact C-CG1 3.46Å; N189-I205 WeakPolarHBondContact O-CG1 3.14Å; N189-I205 PolarHBondContact O-N 3.05Å; K191-I205 HydrophobicContact CB-CG2 4.27Å; K191-I205 HydrophobicContact CD-CG2 3.68Å; K191-I205 HydrophobicContact CG-CG2 3.73Å
206R97.9Very high94.5Very high82 Ų8243.1 Ų43.131%0.30924%0.237SC..SBendtrans-140.3147171.5-62.1-169.1-68.5108.4-4.6108.4K187 P188 N189 V204 I208K187-R206 PolarHBondContact O-NH2 2.67Å; P188-R206 VanDerWaalsContact C-NH2 3.26Å; P188-R206 PolarHBondContact O-NE 2.92Å; P188-R206 PolarHBondContact O-NH2 2.7Å; N189-R206 HydrophobicContact CB-CB 4.21Å; N189-R206 PolarHBondContact O-N 3.01Å; V204-R206 WeakPolarHBondContact CG1-O 3.18Å; R206-I208 WeakPolarHBondContact O-CG1 3.46Å; R206-I208 PolarHBondContact O-N 2.79Å
207P98.1Very high95.3Very high87 Ų8740.3 Ų40.357%0.56522%0.22SC*.  trans-54.3139.9175-22.733.3000110.9W130 V132W130-P207 WeakPolarHBondContact O-CA 3.28Å; V132-P207 HydrophobicContact CG2-CG 4.08Å
208I98.7Very high96.1Very high1 Ų137.2 Ų37.21%0.00521%0.206CC..BIsolated β-bridgetrans-121.8128.3-179.5-49.2-178.2000107.8A126 H129 W130 N189 V204 R206 E212 I214A126-I208 HydrophobicContact CB-CG2 3.73Å; H129-I208 WeakPolarHBondContact CA-O 3.45Å; W130-I208 HydrophobicContact CB-CB 4.06Å; W130-I208 HydrophobicContact CB-CD1 4.49Å; W130-I208 HydrophobicContact CB-CG1 4.36Å; W130-I208 PolarHBondContact N-O 3.22Å; W130-I208 PolarHBondContact O-N 2.79Å; N189-I208 HydrophobicContact CB-CD1 4.01Å; N189-I208 HydrophobicContact CB-CG1 3.95Å; V204-I208 HydrophobicContact CG1-CD1 4.05Å; V204-I208 HydrophobicContact CG1-CG1 4.04Å; V204-I208 HydrophobicContact CG2-CD1 4.22Å; R206-I208 WeakPolarHBondContact O-CG1 3.46Å; R206-I208 PolarHBondContact O-N 2.79Å; I208-E212 HydrophobicContact CG2-CB 3.76Å; I208-E212 HydrophobicContact CG2-CG 4.1Å; I208-I214 HydrophobicContact CD1-CG1 4.27Å
209S98.5Very high96.4Very high60 Ų6036.8 Ų36.842%0.4221%0.209SC..  trans-91.2155175.7-68.40000111.5G211 E212S209-G211 PolarHBondContact O-N 2.83Å; S209-E212 PolarHBondContact N-OE2 3.18Å; S209-E212 VanDerWaalsContact O-CB 3.23Å; S209-E212 WeakPolarHBondContact O-CB 3.46Å; S209-E212 PolarHBondContact O-N 2.87Å
210P98.5Very high96.3Very high64 Ų6438.5 Ų38.542%0.41623%0.226SC..THydrogen-bonded Turntrans-50.8134.1168.4-22.830.4000111.2H129 E212H129-P210 WeakPolarHBondContact CE1-CD 3.28Å; H129-P210 WeakPolarHBondContact ND1-CD 3.41Å; P210-E212 VanDerWaalsContact C-N 3.31Å
211G97.9Very high96.3Very high56 Ų5641.2 Ų41.258%0.57725%0.246SC*.THydrogen-bonded Turntrans85.4-11.5-175.600000115.2A126 S209A126-G211 PolarHBondContact O-N 2.78Å; S209-G211 PolarHBondContact O-N 2.83Å
212E98.4Very high96.2Very high64 Ų6442 Ų4230%0.29925%0.246SC..PPolyproline II helixtrans-75.5140174.7-171.4-178.9163.500110.9T125 A126 N189 I208 S209 P210T125-E212 WeakPolarHBondContact CA-O 3.14Å; A126-E212 PolarHBondContact N-O 2.94Å; N189-E212 PolarHBondContact ND2-OE1 3.06Å; I208-E212 HydrophobicContact CG2-CB 3.76Å; I208-E212 HydrophobicContact CG2-CG 4.1Å; S209-E212 PolarHBondContact N-OE2 3.18Å; S209-E212 VanDerWaalsContact O-CB 3.23Å; S209-E212 WeakPolarHBondContact O-CB 3.46Å; S209-E212 PolarHBondContact O-N 2.87Å; P210-E212 VanDerWaalsContact C-N 3.31Å
213E98.6Very high96Very high32 Ų3243.1 Ų43.115%0.1525%0.252CS..BIsolated β-bridgetrans-71.5131.6176.1-172.3178177.800111.1K123 I124 T125 N183 N189 T215K123-E213 HydrophobicContact CB-CG 4.28Å; K123-E213 WeakPolarHBondContact CB-OE1 3.39Å; K123-E213 HydrophobicContact CD-CG 4.33Å; I124-E213 CarbonylContact O-C 3.58Å; I124-E213 WeakPolarHBondContact O-CA 3.33Å; I124-E213 WeakPolarHBondContact O-CG 3.48Å; T125-E213 HydrophobicContact CG2-CB 4.39Å; N183-E213 WeakPolarHBondContact CB-OE1 3.32Å; N183-E213 PolarHBondContact ND2-OE1 3.46Å; N189-E213 PolarHBondContact ND2-O 2.89Å; E213-T215 HydrophobicContact CB-CG2 4.38Å; E213-T215 HydrophobicContact CG-CG2 3.91Å
214I98.6Very high95.6Very high0 Ų041.5 Ų41.50%025%0.245CC..PPolyproline II helixtrans-78.7121.3171-64.6-178.6000107.9I107 I124 L139 I182 C190 I208I107-I214 HydrophobicContact CG2-CD1 3.44Å; I107-I214 VanDerWaalsContact CG2-CD1 3.44Å; I124-I214 HydrophobicContact CB-CB 4.37Å; I124-I214 HydrophobicContact CG2-CB 4.21Å; I124-I214 HydrophobicContact CG2-CD1 4.07Å; I124-I214 HydrophobicContact CG2-CG1 4.45Å; I124-I214 PolarHBondContact O-N 2.7Å; L139-I214 HydrophobicContact CD1-CD1 4.02Å; L139-I214 HydrophobicContact CD1-CG2 4.12Å; I182-I214 HydrophobicContact CG2-CG2 4.39Å; C190-I214 HydrophobicContact CB-CG2 4.21Å; I208-I214 HydrophobicContact CD1-CG1 4.27Å
215T98.7Very high95.1Very high12 Ų1247.6 Ų47.67%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-130.9146-175.1530000110.9N183 D185 P188 N189 C190 E213N183-T215 WeakPolarHBondContact O-CA 3.36Å; D185-T215 HydrophobicContact CB-CG2 3.97Å; P188-T215 VanDerWaalsContact CB-O 3.26Å; P188-T215 WeakPolarHBondContact CB-O 3.39Å; N189-T215 PolarHBondContact N-O 3.43Å; N189-T215 PolarHBondContact N-OG1 3.35Å; N189-T215 PolarHBondContact OD1-N 3.18Å; N189-T215 PolarHBondContact OD1-O 3Å; N189-T215 PolarHBondContact OD1-OG1 2.64Å; C190-T215 WeakPolarHBondContact CB-O 3.38Å; C190-T215 PolarHBondContact N-O 3.08Å; E213-T215 HydrophobicContact CB-CG2 4.38Å; E213-T215 HydrophobicContact CG-CG2 3.91Å
216C97.9Very high94.8Very high0 Ų047.3 Ų47.30%029%0.286CS..EExtended strand (participates in β ladder)trans-124.8163.2176.4-85.60000110.9I182 N183 H184 D185 F192I182-C216 HydrophobicContact CG2-CB 3.77Å; N183-C216 PolarHBondContact O-N 3.49Å; H184-C216 VanDerWaalsContact CA-O 3.28Å; H184-C216 WeakPolarHBondContact CA-O 3.23Å; D185-C216 PolarHBondContact N-O 2.94Å; F192-C216 HydrophobicContact CD2-CB 4.04Å; F192-C216 HydrophobicContact CE1-CB 4.34Å; F192-C216 HydrophobicContact CE2-CB 3.44Å; F192-C216 VanDerWaalsContact CE2-CB 3.44Å; F192-C216 HydrophobicContact CZ-CB 3.62Å
217Y96.1Very high94.6Very high101 Ų10143.7 Ų43.740%0.39627%0.273SS..  trans-99113.3172-177.9-103.8000110.8H184 G219 A220H184-Y217 AromaticContact CE1-CD2 3.41Å; H184-Y217 VanDerWaalsContact CE1-CD2 3.41Å; H184-Y217 WeakPolarHBondContact CE1-CD2 3.41Å; H184-Y217 AromaticContact CE1-CE2 3.75Å; H184-Y217 AromaticContact NE2-CD2 3.97Å; Y217-G219 VanDerWaalsContact CE1-C 3.4Å; Y217-G219 VanDerWaalsContact CZ-O 3.25Å; Y217-G219 PolarHBondContact OH-O 3.09Å; Y217-A220 WeakPolarHBondContact OH-CA 3.41Å; Y217-A220 WeakPolarHBondContact OH-CB 3.26Å; Y217-A220 PolarHBondContact OH-N 3.32Å
218Y93.3Very high94.5Very high44 Ų4444.1 Ų44.117%0.17327%0.267CS..  trans-74-32.8-177.7-59.6-8.9000113.3I182 N183 H184 F192 F222 F223I182-Y218 WeakPolarHBondContact O-CE1 3.36Å; I182-Y218 VanDerWaalsContact O-CZ 3.3Å; I182-Y218 PolarHBondContact O-OH 2.71Å; N183-Y218 VanDerWaalsContact CA-OH 3.26Å; N183-Y218 WeakPolarHBondContact CA-OH 3.28Å; H184-Y218 HydrophobicContact CB-CD1 4.23Å; H184-Y218 HydrophobicContact CB-CD2 3.76Å; H184-Y218 HydrophobicContact CB-CE1 4.14Å; H184-Y218 HydrophobicContact CB-CE2 3.67Å; H184-Y218 HydrophobicContact CB-CG 4.05Å; H184-Y218 PolarHBondContact N-OH 2.87Å; H184-Y218 AromaticContact ND1-CD2 3.94Å; H184-Y218 AromaticContact ND1-CG 3.62Å; H184-Y218 PolarHBondContact ND1-N 3.14Å; F192-Y218 HydrophobicContact CE2-CD1 4.25Å; Y218-F222 AromaticContact CD2-CD1 3.71Å; Y218-F222 HydrophobicContact CD2-CD1 3.71Å; Y218-F222 AromaticContact CD2-CD2 3.92Å; Y218-F222 HydrophobicContact CD2-CD2 3.92Å; Y218-F222 AromaticContact CD2-CE1 3.64Å; Y218-F222 HydrophobicContact CD2-CE1 3.64Å; Y218-F222 AromaticContact CD2-CE2 3.87Å; Y218-F222 HydrophobicContact CD2-CE2 3.87Å; Y218-F222 AromaticContact CD2-CG 3.83Å; Y218-F222 HydrophobicContact CD2-CG 3.83Å; Y218-F222 AromaticContact CD2-CZ 3.73Å; Y218-F222 HydrophobicContact CD2-CZ 3.73Å; Y218-F222 HydrophobicContact CE2-CD1 4.46Å; Y218-F222 HydrophobicContact CE2-CE1 4.04Å; Y218-F222 HydrophobicContact CE2-CZ 4.14Å; Y218-F222 HydrophobicContact CG-CD2 4.31Å; Y218-F222 HydrophobicContact CG-CE2 4.47Å; Y218-F222 HydrophobicContact CG-CG 4.41Å; Y218-F223 HydrophobicContact CD2-CE2 4.28Å; Y218-F223 HydrophobicContact CD2-CZ 4.27Å; Y218-F223 HydrophobicContact CE2-CZ 4.26Å
219G90.6Very high94.3Very high22 Ų2246 Ų4623%0.22728%0.277CS..  trans155.7169.9-175.400000112.9Y217 S221 N227Y217-G219 VanDerWaalsContact CE1-C 3.4Å; Y217-G219 VanDerWaalsContact CZ-O 3.25Å; Y217-G219 PolarHBondContact OH-O 3.09Å; G219-S221 VanDerWaalsContact C-N 3.31Å; G219-S221 PolarHBondContact O-N 2.83Å; G219-N227 PolarHBondContact O-ND2 3.31Å; G219-N227 PolarHBondContact O-OD1 3.08Å
220A88.8Confident94.2Very high60 Ų6043.2 Ų43.250%0.49626%0.257SS..THydrogen-bonded Turntrans-78.3-10.3-173.600000115.4Y217 G226 N227Y217-A220 WeakPolarHBondContact OH-CA 3.41Å; Y217-A220 WeakPolarHBondContact OH-CB 3.26Å; Y217-A220 PolarHBondContact OH-N 3.32Å; A220-G226 CarbonylContact O-C 3.5Å; A220-G226 VanDerWaalsContact O-CA 3.29Å; A220-G226 WeakPolarHBondContact O-CA 3.45Å; A220-N227 PolarHBondContact O-N 3.42Å
221S89.3Confident94.1Very high58 Ų5840.9 Ų40.941%0.40624%0.241SC..THydrogen-bonded Turntrans-150.540.1-179.4-560000111.1G219 G224 G226 N227G219-S221 VanDerWaalsContact C-N 3.31Å; G219-S221 PolarHBondContact O-N 2.83Å; S221-G224 CarbonylContact C-O 3.36Å; S221-G224 WeakPolarHBondContact CA-O 3.14Å; S221-G224 VanDerWaalsContact CB-O 3.23Å; S221-G224 WeakPolarHBondContact CB-O 3.49Å; S221-G226 PolarHBondContact OG-N 3.49Å; S221-N227 WeakPolarHBondContact CA-OD1 3.45Å; S221-N227 PolarHBondContact N-OD1 3.02Å
222F88.6Confident94.1Very high36 Ų3638.2 Ų38.216%0.15821%0.213CC..THydrogen-bonded Turntrans-69.4-44.4175.6-171-84.8000109.9V163 Y218 G224 N227 Y263V163-F222 WeakPolarHBondContact O-CE2 3.43Å; Y218-F222 AromaticContact CD2-CD1 3.71Å; Y218-F222 HydrophobicContact CD2-CD1 3.71Å; Y218-F222 AromaticContact CD2-CD2 3.92Å; Y218-F222 HydrophobicContact CD2-CD2 3.92Å; Y218-F222 AromaticContact CD2-CE1 3.64Å; Y218-F222 HydrophobicContact CD2-CE1 3.64Å; Y218-F222 AromaticContact CD2-CE2 3.87Å; Y218-F222 HydrophobicContact CD2-CE2 3.87Å; Y218-F222 AromaticContact CD2-CG 3.83Å; Y218-F222 HydrophobicContact CD2-CG 3.83Å; Y218-F222 AromaticContact CD2-CZ 3.73Å; Y218-F222 HydrophobicContact CD2-CZ 3.73Å; Y218-F222 HydrophobicContact CE2-CD1 4.46Å; Y218-F222 HydrophobicContact CE2-CE1 4.04Å; Y218-F222 HydrophobicContact CE2-CZ 4.14Å; Y218-F222 HydrophobicContact CG-CD2 4.31Å; Y218-F222 HydrophobicContact CG-CE2 4.47Å; Y218-F222 HydrophobicContact CG-CG 4.41Å; F222-G224 PolarHBondContact O-N 2.88Å; F222-N227 PolarHBondContact N-OD1 2.89Å; F222-Y263 HydrophobicContact CE1-CE1 4.01Å
223F91.8Very high94.1Very high25 Ų2536.8 Ų36.811%0.1121%0.21CC..THydrogen-bonded Turntrans-101.961178.2-56.1-79.3000111.1H184 Y218 N227 E228 M229 C230H184-F223 HydrophobicContact CB-CE2 3.57Å; H184-F223 HydrophobicContact CB-CZ 3.96Å; H184-F223 AromaticContact CD2-CE2 3.81Å; H184-F223 AromaticContact CG-CE2 3.53Å; H184-F223 AromaticContact ND1-CE2 3.94Å; Y218-F223 HydrophobicContact CD2-CE2 4.28Å; Y218-F223 HydrophobicContact CD2-CZ 4.27Å; Y218-F223 HydrophobicContact CE2-CZ 4.26Å; F223-N227 PolarHBondContact N-OD1 3.38Å; F223-N227 CarbonylContact O-C 3.3Å; F223-N227 VanDerWaalsContact O-C 3.3Å; F223-N227 WeakPolarHBondContact O-CA 3.46Å; F223-E228 PolarHBondContact O-N 2.64Å; F223-M229 HydrophobicContact CB-CB 4.23Å; F223-M229 WeakPolarHBondContact O-CB 3.4Å; F223-M229 PolarHBondContact O-N 2.89Å; F223-C230 HydrophobicContact CB-CB 4.16Å; F223-C230 HydrophobicContact CD2-CB 4.05Å; F223-C230 HydrophobicContact CG-CB 4.33Å
224G89.2Confident94.1Very high5 Ų536 Ų365%0.05221%0.207CC..SBendtrans82.1179.3-175.900000114.1S221 F222 G226 N227 M229S221-G224 CarbonylContact C-O 3.36Å; S221-G224 WeakPolarHBondContact CA-O 3.14Å; S221-G224 VanDerWaalsContact CB-O 3.23Å; S221-G224 WeakPolarHBondContact CB-O 3.49Å; F222-G224 PolarHBondContact O-N 2.88Å; G224-G226 PolarHBondContact O-N 3.46Å; G224-N227 PolarHBondContact O-N 2.93Å; G224-N227 VanDerWaalsContact O-N 3.08Å; G224-M229 VanDerWaalsContact CA-CE 3.49Å
225E89.4Confident94Very high128 Ų12836.2 Ų36.260%0.59821%0.208SC*.G310 helixtrans-63.6125.8-177.3-171.4169.3-176.300110N227 E228 L265E225-N227 PolarHBondContact O-N 3.34Å; E225-E228 WeakPolarHBondContact O-CB 3.15Å; E225-E228 PolarHBondContact O-N 2.92Å; E225-L265 HydrophobicContact CB-CD1 3.91Å
226G91.6Very high93.9Very high56 Ų5639.8 Ų39.858%0.57722%0.224SC*.G310 helixtrans61.124.6-176.600000114.7A220 S221 G224 E228A220-G226 CarbonylContact O-C 3.5Å; A220-G226 VanDerWaalsContact O-CA 3.29Å; A220-G226 WeakPolarHBondContact O-CA 3.45Å; S221-G226 PolarHBondContact OG-N 3.49Å; G224-G226 PolarHBondContact O-N 3.46Å; G226-E228 VanDerWaalsContact C-N 3.26Å; G226-E228 PolarHBondContact O-N 3.41Å
227N94.8Very high93.9Very high7 Ų749.1 Ų49.14%0.03726%0.26CS..G310 helixtrans57.535.4-176.9-70.8-19.6000113.2G219 A220 S221 F222 F223 G224 E225 M229 C230 G241G219-N227 PolarHBondContact O-ND2 3.31Å; G219-N227 PolarHBondContact O-OD1 3.08Å; A220-N227 PolarHBondContact O-N 3.42Å; S221-N227 WeakPolarHBondContact CA-OD1 3.45Å; S221-N227 PolarHBondContact N-OD1 3.02Å; F222-N227 PolarHBondContact N-OD1 2.89Å; F223-N227 PolarHBondContact N-OD1 3.38Å; F223-N227 CarbonylContact O-C 3.3Å; F223-N227 VanDerWaalsContact O-C 3.3Å; F223-N227 WeakPolarHBondContact O-CA 3.46Å; G224-N227 PolarHBondContact O-N 2.93Å; G224-N227 VanDerWaalsContact O-N 3.08Å; E225-N227 PolarHBondContact O-N 3.34Å; N227-M229 PolarHBondContact O-N 3.28Å; N227-M229 VanDerWaalsContact O-N 3.15Å; N227-C230 HydrophobicContact CB-CB 3.95Å; N227-C230 WeakPolarHBondContact O-CB 3.43Å; N227-C230 PolarHBondContact O-N 2.96Å; N227-G241 WeakPolarHBondContact O-CA 3.31Å
228E94.7Very high93.9Very high95 Ų9548.9 Ų48.944%0.44427%0.265SS..THydrogen-bonded Turntrans-61.6-19.3-179.672.1-170.7160.800114.6F223 E225 G226 G241 H242F223-E228 PolarHBondContact O-N 2.64Å; E225-E228 WeakPolarHBondContact O-CB 3.15Å; E225-E228 PolarHBondContact O-N 2.92Å; G226-E228 VanDerWaalsContact C-N 3.26Å; G226-E228 PolarHBondContact O-N 3.41Å; E228-G241 CarbonylContact O-C 2.87Å; E228-G241 WeakPolarHBondContact O-CA 3.21Å; E228-G241 VanDerWaalsContact O-O 3.09Å; E228-H242 PolarHBondContact O-N 3.33Å; E228-H242 VanDerWaalsContact O-N 3.13Å
229M94.4Very high94Very high42 Ų4248.7 Ų48.721%0.20728%0.276CS..THydrogen-bonded Turntrans-103.912.7176.2-60-179.4-78.700112.9F223 G224 N227 K262F223-M229 HydrophobicContact CB-CB 4.23Å; F223-M229 WeakPolarHBondContact O-CB 3.4Å; F223-M229 PolarHBondContact O-N 2.89Å; G224-M229 VanDerWaalsContact CA-CE 3.49Å; N227-M229 PolarHBondContact O-N 3.28Å; N227-M229 VanDerWaalsContact O-N 3.15Å; M229-K262 WeakPolarHBondContact CE-O 3.44Å; M229-K262 HydrophobicContact SD-CB 4.16Å; M229-K262 HydrophobicContact SD-CG 3.99Å
230C96.5Very high94.3Very high1 Ų152 Ų521%0.00729%0.286CS..  trans-70.8132.8-177.5-177.10000112.3H184 F223 N227 C232 H242H184-C230 VanDerWaalsContact CD2-SG 3.53Å; F223-C230 HydrophobicContact CB-CB 4.16Å; F223-C230 HydrophobicContact CD2-CB 4.05Å; F223-C230 HydrophobicContact CG-CB 4.33Å; N227-C230 HydrophobicContact CB-CB 3.95Å; N227-C230 WeakPolarHBondContact O-CB 3.43Å; N227-C230 PolarHBondContact O-N 2.96Å; C230-C232 PolarHBondContact SG-SG 2.98Å; C230-H242 WeakPolarHBondContact O-CB 3.48Å; C230-H242 PolarHBondContact O-N 3.32Å
231E97.6Very high94.6Very high15 Ų1549.5 Ų49.57%0.0727%0.266CS..  trans-107.813-177.5-73.6170-161.900112.8R114 Y115 S116 H242 F243 K262R114-E231 VanDerWaalsContact CZ-O 3.28Å; R114-E231 PolarHBondContact NE-O 3.43Å; R114-E231 PolarHBondContact NH2-O 2.95Å; Y115-E231 WeakPolarHBondContact CA-OE2 2.92Å; Y115-E231 HydrophobicContact CD1-CB 3.98Å; Y115-E231 HydrophobicContact CE1-CB 4.49Å; S116-E231 PolarHBondContact N-OE2 3Å; S116-E231 VanDerWaalsContact OG-CD 3.25Å; S116-E231 PolarHBondContact OG-OE1 2.68Å; S116-E231 PolarHBondContact OG-OE2 3.1Å; E231-H242 HydrophobicContact CG-CB 3.72Å; E231-H242 IonicContact OE1-CG 3.93Å; E231-F243 HydrophobicContact CB-CZ 4.45Å; E231-K262 IonicContact OE1-NZ 2.64Å; E231-K262 PolarHBondContact OE1-NZ 3.16Å
232C98.1Very high94.8Very high0 Ų050.5 Ų50.50%026%0.264CS..  trans-65.7159.6-179.376.70000113.6R114 H184 D185 C186 C230 T234 C235 E236R114-C232 VanDerWaalsContact NH2-C 3.34Å; R114-C232 PolarHBondContact NH2-O 3.35Å; H184-C232 WeakPolarHBondContact O-CB 3.36Å; D185-C232 HydrophobicContact CB-CB 4.21Å; C186-C232 PolarHBondContact N-SG 3.41Å; C186-C232 VanDerWaalsContact N-SG 3.38Å; C230-C232 PolarHBondContact SG-SG 2.98Å; C232-T234 VanDerWaalsContact C-N 3.26Å; C232-T234 PolarHBondContact O-N 3.38Å; C232-C235 PolarHBondContact O-N 2.8Å; C232-C235 VanDerWaalsContact O-N 3.14Å; C232-C235 PolarHBondContact SG-N 3.09Å; C232-C235 VanDerWaalsContact SG-N 3.39Å; C232-E236 PolarHBondContact O-N 2.66Å; C232-E236 VanDerWaalsContact O-N 3.1Å
233C97.5Very high95.1Very high33 Ų3349.8 Ų49.822%0.22326%0.261CS..Hα-helixtrans-58.2-37.1179.8-73.40000112.6D185 E236 R237D185-C233 PolarHBondContact OD2-N 3.16Å; C233-E236 PolarHBondContact O-N 3.38Å; C233-R237 WeakPolarHBondContact O-CG 3.35Å; C233-R237 PolarHBondContact O-N 3.03Å; C233-R237 VanDerWaalsContact O-N 3.12Å
234T97.9Very high95.1Very high16 Ų1655.5 Ų55.510%0.09828%0.282CS..Hα-helixtrans-63.9-43.3176.2-700000112.4D185 C186 K187 C232 E236 R237 N238D185-T234 VanDerWaalsContact OD1-CB 3.23Å; D185-T234 WeakPolarHBondContact OD1-CB 3.26Å; D185-T234 PolarHBondContact OD1-OG1 3.02Å; D185-T234 PolarHBondContact OD2-N 3.35Å; D185-T234 VanDerWaalsContact OD2-N 3.08Å; D185-T234 PolarHBondContact OD2-OG1 3.33Å; C186-T234 HydrophobicContact CB-CG2 4.12Å; K187-T234 HydrophobicContact CB-CG2 3.89Å; C232-T234 VanDerWaalsContact C-N 3.26Å; C232-T234 PolarHBondContact O-N 3.38Å; T234-E236 VanDerWaalsContact C-N 3.35Å; T234-R237 PolarHBondContact O-N 3.42Å; T234-N238 WeakPolarHBondContact O-CB 3.33Å; T234-N238 VanDerWaalsContact O-CG 3.25Å; T234-N238 PolarHBondContact O-N 3.3Å; T234-N238 VanDerWaalsContact O-N 3.13Å; T234-N238 PolarHBondContact O-ND2 3.13Å
235C97.8Very high94.5Very high4 Ų461.7 Ų61.73%0.02731%0.309CS..Hα-helixtrans-64.6-40.7177.7-75.80000111.6C186 C232 N238 G239 E240 F243C186-C235 VanDerWaalsContact SG-SG 3.67Å; C232-C235 PolarHBondContact O-N 2.8Å; C232-C235 VanDerWaalsContact O-N 3.14Å; C232-C235 PolarHBondContact SG-N 3.09Å; C232-C235 VanDerWaalsContact SG-N 3.39Å; C235-N238 PolarHBondContact O-N 2.98Å; C235-G239 PolarHBondContact O-N 2.95Å; C235-E240 HydrophobicContact CB-CB 4.41Å; C235-E240 PolarHBondContact O-N 2.97Å; C235-F243 HydrophobicContact CB-CD2 4.09Å; C235-F243 HydrophobicContact CB-CE2 4.38Å
236E97.3Very high93.3Very high87 Ų8764.4 Ų64.441%0.40731%0.314SS..Hα-helixtrans-59-49.2176.7-172.9171.6-159.800111.9R114 C232 C233 T234 N238 G239 F243R114-E236 IonicContact CZ-OE2 3.25Å; R114-E236 VanDerWaalsContact CZ-OE2 3.25Å; R114-E236 IonicContact NH1-OE2 2.87Å; R114-E236 PolarHBondContact NH1-OE2 2.82Å; R114-E236 IonicContact NH2-OE2 2.7Å; R114-E236 PolarHBondContact NH2-OE2 3.37Å; C232-E236 PolarHBondContact O-N 2.66Å; C232-E236 VanDerWaalsContact O-N 3.1Å; C233-E236 PolarHBondContact O-N 3.38Å; T234-E236 VanDerWaalsContact C-N 3.35Å; E236-N238 VanDerWaalsContact C-N 3.29Å; E236-N238 PolarHBondContact O-N 3.45Å; E236-G239 PolarHBondContact O-N 3.09Å; E236-F243 HydrophobicContact CB-CD1 4.4Å; E236-F243 HydrophobicContact CB-CD2 3.79Å; E236-F243 HydrophobicContact CB-CE1 4.23Å; E236-F243 HydrophobicContact CB-CE2 3.57Å; E236-F243 HydrophobicContact CB-CG 4.18Å; E236-F243 HydrophobicContact CB-CZ 3.82Å; E236-F243 HydrophobicContact CG-CD1 4.17Å; E236-F243 HydrophobicContact CG-CD2 4.43Å; E236-F243 HydrophobicContact CG-CE1 4.03Å; E236-F243 HydrophobicContact CG-CE2 4.28Å; E236-F243 HydrophobicContact CG-CG 4.36Å; E236-F243 HydrophobicContact CG-CZ 4.09Å; E236-F243 VanDerWaalsContact N-CD2 3.32Å
237R96.8Very high91.6Very high196 Ų19665.8 Ų65.874%0.7433%0.328SS*.Hα-helixtrans-64-32.7179.5-67.5174.5-155.4159.15.5113.3C233 T234C233-R237 WeakPolarHBondContact O-CG 3.35Å; C233-R237 PolarHBondContact O-N 3.03Å; C233-R237 VanDerWaalsContact O-N 3.12Å; T234-R237 PolarHBondContact O-N 3.42Å
238N96.4Very high89.5Confident97 Ų9773.1 Ų73.152%0.51936%0.359SS..Hα-helixtrans-89.1-9-177.6-66.2-10.5000113.5T234 C235 E236 E240T234-N238 WeakPolarHBondContact O-CB 3.33Å; T234-N238 VanDerWaalsContact O-CG 3.25Å; T234-N238 PolarHBondContact O-N 3.3Å; T234-N238 VanDerWaalsContact O-N 3.13Å; T234-N238 PolarHBondContact O-ND2 3.13Å; C235-N238 PolarHBondContact O-N 2.98Å; E236-N238 VanDerWaalsContact C-N 3.29Å; E236-N238 PolarHBondContact O-N 3.45Å; N238-E240 VanDerWaalsContact C-N 3.3Å; N238-E240 HydrophobicContact CB-CB 4.23Å; N238-E240 HydrophobicContact CB-CG 3.75Å; N238-E240 PolarHBondContact ND2-OE2 3.15Å
239G95.6Very high86.7Confident39 Ų3977.4 Ų77.440%0.40238%0.38SS..THydrogen-bonded Turntrans63.836.8-168.400000112.4C235 E236 R244C235-G239 PolarHBondContact O-N 2.95Å; E236-G239 PolarHBondContact O-N 3.09Å; G239-R244 WeakPolarHBondContact O-CA 3.43Å
240E95.6Very high84.5Confident93 Ų9380.7 Ų80.744%0.43540%0.404SS..  trans-112.5179.1179.6-67.7177.7153.500110.8C235 N238 H242 F243C235-E240 HydrophobicContact CB-CB 4.41Å; C235-E240 PolarHBondContact O-N 2.97Å; N238-E240 VanDerWaalsContact C-N 3.3Å; N238-E240 HydrophobicContact CB-CB 4.23Å; N238-E240 HydrophobicContact CB-CG 3.75Å; N238-E240 PolarHBondContact ND2-OE2 3.15Å; E240-H242 PolarHBondContact O-N 3.14Å; E240-F243 WeakPolarHBondContact O-CB 3.43Å; E240-F243 PolarHBondContact O-N 3.2Å
241G95.6Very high81.9Confident7 Ų788.5 Ų88.57%0.07245%0.446CS..G310 helixtrans55.6-136.1-179.300000111.6N227 E228 F243 R244N227-G241 WeakPolarHBondContact O-CA 3.31Å; E228-G241 CarbonylContact O-C 2.87Å; E228-G241 WeakPolarHBondContact O-CA 3.21Å; E228-G241 VanDerWaalsContact O-O 3.09Å; G241-F243 PolarHBondContact O-N 2.84Å; G241-F243 VanDerWaalsContact O-N 3.09Å; G241-R244 WeakPolarHBondContact O-CB 3.43Å; G241-R244 PolarHBondContact O-N 3.42Å
242H94.4Very high79.2Confident79 Ų7991.9 Ų91.937%0.36647%0.471SS..G310 helixtrans-56.9-27.2179179.870.4000112.7E228 C230 E231 E240 R244E228-H242 PolarHBondContact O-N 3.33Å; E228-H242 VanDerWaalsContact O-N 3.13Å; C230-H242 WeakPolarHBondContact O-CB 3.48Å; C230-H242 PolarHBondContact O-N 3.32Å; E231-H242 HydrophobicContact CG-CB 3.72Å; E231-H242 IonicContact OE1-CG 3.93Å; E240-H242 PolarHBondContact O-N 3.14Å; H242-R244 VanDerWaalsContact C-N 3.35Å; H242-R244 PolarHBondContact O-N 3.07Å
243F95.2Very high76.7Confident21 Ų21101.2 Ų101.29%0.09252%0.515CS..G310 helixtrans-85.9-2.6-174-51.2-79.9000114.1E231 C235 E236 E240 G241 H245 R246E231-F243 HydrophobicContact CB-CZ 4.45Å; C235-F243 HydrophobicContact CB-CD2 4.09Å; C235-F243 HydrophobicContact CB-CE2 4.38Å; E236-F243 HydrophobicContact CB-CD1 4.4Å; E236-F243 HydrophobicContact CB-CD2 3.79Å; E236-F243 HydrophobicContact CB-CE1 4.23Å; E236-F243 HydrophobicContact CB-CE2 3.57Å; E236-F243 HydrophobicContact CB-CG 4.18Å; E236-F243 HydrophobicContact CB-CZ 3.82Å; E236-F243 HydrophobicContact CG-CD1 4.17Å; E236-F243 HydrophobicContact CG-CD2 4.43Å; E236-F243 HydrophobicContact CG-CE1 4.03Å; E236-F243 HydrophobicContact CG-CE2 4.28Å; E236-F243 HydrophobicContact CG-CG 4.36Å; E236-F243 HydrophobicContact CG-CZ 4.09Å; E236-F243 VanDerWaalsContact N-CD2 3.32Å; E240-F243 WeakPolarHBondContact O-CB 3.43Å; E240-F243 PolarHBondContact O-N 3.2Å; G241-F243 PolarHBondContact O-N 2.84Å; G241-F243 VanDerWaalsContact O-N 3.09Å; F243-H245 PolarHBondContact O-N 3.17Å; F243-R246 PolarHBondContact O-N 3.02Å; F243-R246 VanDerWaalsContact O-N 3.08Å
244R90.6Very high73.9Confident145 Ų145107.5 Ų107.555%0.54754%0.541SS..G310 helixtrans-55.5-27-178.8-174.9-178-75.7161.1-0.4113.9G239 G241 H242G239-R244 WeakPolarHBondContact O-CA 3.43Å; G241-R244 WeakPolarHBondContact O-CB 3.43Å; G241-R244 PolarHBondContact O-N 3.42Å; H242-R244 VanDerWaalsContact C-N 3.35Å; H242-R244 PolarHBondContact O-N 3.07Å
245H77Confident71.2Confident134 Ų134111.5 Ų111.562%0.6258%0.575SS**G310 helixtrans-100.9-7.1-177.5-61.8-82.7000114.2F243 G247 K248F243-H245 PolarHBondContact O-N 3.17Å; H245-G247 PolarHBondContact O-N 3.39Å; H245-G247 VanDerWaalsContact O-N 3.1Å; H245-K248 PolarHBondContact O-N 3.3Å
246R64.9Low68.3Low185 Ų185120.9 Ų120.970%0.69862%0.616SS**THydrogen-bonded Turntrans-71.3108.3175.7-77.4-164.6179.3-163.5-4.2109.4F243F243-R246 PolarHBondContact O-N 3.02Å; F243-R246 VanDerWaalsContact O-N 3.08Å
247G54.8Low65.4Low85 Ų85124.2 Ų124.288%0.87663%0.631SS**THydrogen-bonded Turntrans123.5-5.5-177.300000114.7H245H245-G247 PolarHBondContact O-N 3.39Å; H245-G247 VanDerWaalsContact O-N 3.1Å
248K50.4Low62.9Low161 Ų161117.6 Ų117.670%0.762%0.618SS**SBendtrans-100.7122.3163.3-67.2-178.7178.9-177.60107.8H245H245-K248 PolarHBondContact O-N 3.3Å
249Q36.8Very low60.5Low185 Ų185119.9 Ų119.986%0.86464%0.636SS**  trans-50.2129.5170.1-78.9-84.5-7.400109.1D251Q249-D251 PolarHBondContact O-N 3.18Å
250P47Very low58Low112 Ų112121.7 Ų121.773%0.72765%0.654SS**  trans-86.598.4179.832.1-28.4000109.8
251D43.4Very low55.8Low165 Ų165120.3 Ų120.388%0.88265%0.648SS**  trans-86.393150.5-97.4-17.5000107Q249Q249-D251 PolarHBondContact O-N 3.18Å
252S40.9Very low53.8Low85 Ų85121.7 Ų121.759%0.59465%0.652SS**SBendtrans159.5138.4145.958.60000112.8E254S252-E254 PolarHBondContact O-N 3.01Å
253E44.1Very low51.8Low196 Ų196120.3 Ų120.392%0.91664%0.644SS**  trans-65.332.9-171.5-57.3-168.513100117.6A255E253-A255 PolarHBondContact O-N 3.19Å
254E40Very low49.5Very low165 Ų165126.8 Ų126.877%0.77167%0.667SS**G310 helixtrans-88.53-171.6-69.5179156.400114.9S252 K256S252-E254 PolarHBondContact O-N 3.01Å; E254-K256 PolarHBondContact O-N 3.43Å; E254-K256 VanDerWaalsContact O-N 3.13Å
255A41.1Very low47.2Very low100 Ų100123.3 Ų123.383%0.82666%0.66SS**G310 helixtrans-74.91.2-172.200000115.8E253E253-A255 PolarHBondContact O-N 3.19Å
256K37.2Very low46Very low201 Ų201119 Ų11987%0.87464%0.638SS**G310 helixtrans-100.4-5.9-170.3-72.2-173.9178.81750117E254E254-K256 PolarHBondContact O-N 3.43Å; E254-K256 VanDerWaalsContact O-N 3.13Å
257E35.7Very low45.1Very low157 Ų157114.4 Ų114.473%0.73462%0.624SS**SBendtrans-115.7-0.6-176.1-76.4-164.3157.300116.8
258A44.4Very low44.7Very low57 Ų57117.7 Ų117.747%0.47161%0.61SS.*G310 helixtrans-910.2-165.700000116.8G260A258-G260 VanDerWaalsContact C-N 3.28Å; A258-G260 PolarHBondContact O-N 3.25Å
259V46.2Very low44.6Very low146 Ų146113 Ų11389%0.88559%0.588SS**G310 helixtrans-69.6-25.9-173.9-178.10000112.3
260G43.1Very low45.1Very low76 Ų76106.4 Ų106.478%0.78456%0.559SS**G310 helixtrans-1041.5-177.900000116.7A258A258-G260 VanDerWaalsContact C-N 3.28Å; A258-G260 PolarHBondContact O-N 3.25Å
261Q48.5Very low45.3Very low65 Ų65107.9 Ų107.930%0.30455%0.55SS.*  trans-110.86.1-162.8-60.9-175.710.100115.4Y263 R264Q261-Y263 PolarHBondContact O-N 3.47Å; Q261-Y263 VanDerWaalsContact O-N 3.12Å; Q261-R264 HydrophobicContact CB-CG 4.45Å; Q261-R264 WeakPolarHBondContact O-CG 3.44Å; Q261-R264 PolarHBondContact O-N 3.36Å; Q261-R264 VanDerWaalsContact OE1-NH1 3.14Å
262K53.9Low45.3Very low36 Ų36104 Ų10416%0.15753%0.527CS..THydrogen-bonded Turntrans-68.9-10.7-171.2-70.5-172.2178.4-174.60116.2S116 M229 E231S116-K262 PolarHBondContact OG-NZ 3.05Å; M229-K262 WeakPolarHBondContact CE-O 3.44Å; M229-K262 HydrophobicContact SD-CB 4.16Å; M229-K262 HydrophobicContact SD-CG 3.99Å; E231-K262 IonicContact OE1-NZ 2.64Å; E231-K262 PolarHBondContact OE1-NZ 3.16Å
263Y53.7Low45.8Very low49 Ų49103.1 Ų103.119%0.19251%0.513CS..THydrogen-bonded Turntrans-113.721.9-178.9-64.4-83.6000114.3F222 Q261 L265 R266F222-Y263 HydrophobicContact CE1-CE1 4.01Å; Q261-Y263 PolarHBondContact O-N 3.47Å; Q261-Y263 VanDerWaalsContact O-N 3.12Å; Y263-L265 VanDerWaalsContact C-N 3.28Å; Y263-L265 PolarHBondContact O-N 2.79Å; Y263-R266 WeakPolarHBondContact O-CB 3.36Å; Y263-R266 PolarHBondContact O-N 3.35Å
264R44.9Very low46.1Very low157 Ų157101.9 Ų101.959%0.59250%0.5SS*.THydrogen-bonded Turntrans-51.1-28.1-171.9-96.7-179.8165.5175.6-0.7117.3Q261 E267Q261-R264 HydrophobicContact CB-CG 4.45Å; Q261-R264 WeakPolarHBondContact O-CG 3.44Å; Q261-R264 PolarHBondContact O-N 3.36Å; Q261-R264 VanDerWaalsContact OE1-NH1 3.14Å; R264-E267 VanDerWaalsContact O-CB 3.27Å; R264-E267 WeakPolarHBondContact O-CB 3.47Å; R264-E267 PolarHBondContact O-N 3.45Å
265L42.4Very low46.3Very low73 Ų73100.4 Ų100.438%0.38249%0.493SS..THydrogen-bonded Turntrans-83.1-15.4179-108.2157000114.2E225 Y263 E267 R268E225-L265 HydrophobicContact CB-CD1 3.91Å; Y263-L265 VanDerWaalsContact C-N 3.28Å; Y263-L265 PolarHBondContact O-N 2.79Å; L265-E267 PolarHBondContact O-N 3.46Å; L265-R268 HydrophobicContact CD2-CB 4.27Å; L265-R268 PolarHBondContact O-N 2.98Å
266R53.5Low46.6Very low43 Ų43104.6 Ų104.616%0.16249%0.487CS..Hα-helixtrans-59.4-35.5167.3-171.9-176.5-173.5-1413.8111.4L154 R155 A156 D160 Y263 R268 Y269 L270L154-R266 VanDerWaalsContact CB-NH2 3.25Å; R155-R266 PolarHBondContact O-NH1 3.32Å; A156-R266 VanDerWaalsContact CA-NH1 3.29Å; D160-R266 WeakPolarHBondContact OD2-CD 3.43Å; D160-R266 IonicContact OD2-CZ 3.83Å; D160-R266 IonicContact OD2-NE 2.79Å; D160-R266 PolarHBondContact OD2-NE 2.93Å; D160-R266 IonicContact OD2-NH1 2.64Å; D160-R266 PolarHBondContact OD2-NH1 2.83Å; Y263-R266 WeakPolarHBondContact O-CB 3.36Å; Y263-R266 PolarHBondContact O-N 3.35Å; R266-R268 VanDerWaalsContact C-N 3.29Å; R266-R268 PolarHBondContact O-N 2.89Å; R266-Y269 PolarHBondContact O-N 3.39Å; R266-L270 HydrophobicContact CG-CD1 3.99Å; R266-L270 PolarHBondContact O-N 3.32Å
267E45.2Very low46.6Very low89 Ų8997.9 Ų97.942%0.41648%0.476SS..Hα-helixtrans-62.7-34.4180-148.7-175.8165.400112.1R264 L265 L270 R271R264-E267 VanDerWaalsContact O-CB 3.27Å; R264-E267 WeakPolarHBondContact O-CB 3.47Å; R264-E267 PolarHBondContact O-N 3.45Å; L265-E267 PolarHBondContact O-N 3.46Å; E267-L270 PolarHBondContact O-N 3.1Å; E267-R271 HydrophobicContact CG-CG 4.3Å; E267-R271 WeakPolarHBondContact O-CB 3.2Å; E267-R271 VanDerWaalsContact O-CG 3.27Å; E267-R271 WeakPolarHBondContact O-CG 3.41Å; E267-R271 PolarHBondContact O-N 3.33Å; E267-R271 IonicContact OE1-CZ 3.19Å; E267-R271 IonicContact OE1-NE 2.91Å; E267-R271 PolarHBondContact OE1-NE 2.71Å; E267-R271 IonicContact OE1-NH2 2.71Å; E267-R271 PolarHBondContact OE1-NH2 2.82Å
268R45.3Very low46.8Very low153 Ų15398.1 Ų98.158%0.57748%0.476SS*.Hα-helixtrans-69.1-37-178.6-155179.7-164.5-175.66112.5L265 R266 Q272L265-R268 HydrophobicContact CD2-CB 4.27Å; L265-R268 PolarHBondContact O-N 2.98Å; R266-R268 VanDerWaalsContact C-N 3.29Å; R266-R268 PolarHBondContact O-N 2.89Å; R268-Q272 VanDerWaalsContact O-CB 3.26Å; R268-Q272 WeakPolarHBondContact O-CB 3.24Å; R268-Q272 WeakPolarHBondContact O-CG 3.35Å; R268-Q272 PolarHBondContact O-N 3.31Å
269Y48.5Very low46.4Very low62 Ų62102.9 Ų102.924%0.24349%0.493CS..Hα-helixtrans-70.7-46.7175.4-177.2-101.4000111.3Y165 A172 R266 Q272 H273Y165-Y269 HydrophobicContact CD2-CE2 4.33Å; Y165-Y269 HydrophobicContact CE2-CD2 4.27Å; Y165-Y269 AromaticContact CE2-CE2 3.65Å; Y165-Y269 HydrophobicContact CE2-CE2 3.65Å; A172-Y269 HydrophobicContact CB-CE1 3.83Å; R266-Y269 PolarHBondContact O-N 3.39Å; Y269-Q272 PolarHBondContact O-N 3.04Å; Y269-H273 AromaticContact CD2-CD2 3.85Å; Y269-H273 AromaticContact CE1-CD2 3.99Å; Y269-H273 AromaticContact CE2-CD2 3.52Å; Y269-H273 AromaticContact CE2-NE2 3.3Å; Y269-H273 VanDerWaalsContact CE2-NE2 3.3Å; Y269-H273 WeakPolarHBondContact CE2-NE2 3.33Å; Y269-H273 AromaticContact CZ-CD2 3.6Å; Y269-H273 AromaticContact CZ-NE2 3.48Å; Y269-H273 PolarHBondContact O-CD2 3.26Å; Y269-H273 PolarHBondContact O-N 3.33Å; Y269-H273 VanDerWaalsContact O-N 3.16Å
270L48.4Very low45.7Very low48 Ų48102.3 Ų102.325%0.25149%0.49SS..Hα-helixtrans-66.1-38.4178.4-67.4171.1000112.5R266 E267 R274R266-L270 HydrophobicContact CG-CD1 3.99Å; R266-L270 PolarHBondContact O-N 3.32Å; E267-L270 PolarHBondContact O-N 3.1Å; L270-R274 PolarHBondContact O-N 2.91Å; L270-R274 VanDerWaalsContact O-N 3.08Å
271R50.2Low45.4Very low143 Ų143103.5 Ų103.554%0.5449%0.492SS..Hα-helixtrans-66.9-48.2173.9-77.8-179.4179.5-140.36.1112.3E267 H273 R274 E275E267-R271 HydrophobicContact CG-CG 4.3Å; E267-R271 WeakPolarHBondContact O-CB 3.2Å; E267-R271 VanDerWaalsContact O-CG 3.27Å; E267-R271 WeakPolarHBondContact O-CG 3.41Å; E267-R271 PolarHBondContact O-N 3.33Å; E267-R271 IonicContact OE1-CZ 3.19Å; E267-R271 IonicContact OE1-NE 2.91Å; E267-R271 PolarHBondContact OE1-NE 2.71Å; E267-R271 IonicContact OE1-NH2 2.71Å; E267-R271 PolarHBondContact OE1-NH2 2.82Å; R271-H273 PolarHBondContact O-N 3.03Å; R271-R274 PolarHBondContact O-N 3.02Å; R271-E275 WeakPolarHBondContact O-CG 3.48Å; R271-E275 PolarHBondContact O-N 3Å
272Q44.9Very low44.5Very low83 Ų83112 Ų11239%0.38852%0.521SS..Hα-helixtrans-60.8-29.4178.6-79.7179.2-4.700113.2R268 Y269 R276R268-Q272 VanDerWaalsContact O-CB 3.26Å; R268-Q272 WeakPolarHBondContact O-CB 3.24Å; R268-Q272 WeakPolarHBondContact O-CG 3.35Å; R268-Q272 PolarHBondContact O-N 3.31Å; Y269-Q272 PolarHBondContact O-N 3.04Å; Q272-R276 WeakPolarHBondContact O-CG 3.33Å; Q272-R276 PolarHBondContact O-N 2.79Å
273H51.5Low43.5Very low66 Ų66116 Ų11631%0.30655%0.552SS.*Hα-helixtrans-83.2-32.3176.2-85.1-80.4000113.6Y269 R271 E275 R276 G277Y269-H273 AromaticContact CD2-CD2 3.85Å; Y269-H273 AromaticContact CE1-CD2 3.99Å; Y269-H273 AromaticContact CE2-CD2 3.52Å; Y269-H273 AromaticContact CE2-NE2 3.3Å; Y269-H273 VanDerWaalsContact CE2-NE2 3.3Å; Y269-H273 WeakPolarHBondContact CE2-NE2 3.33Å; Y269-H273 AromaticContact CZ-CD2 3.6Å; Y269-H273 AromaticContact CZ-NE2 3.48Å; Y269-H273 PolarHBondContact O-CD2 3.26Å; Y269-H273 PolarHBondContact O-N 3.33Å; Y269-H273 VanDerWaalsContact O-N 3.16Å; R271-H273 PolarHBondContact O-N 3.03Å; H273-E275 VanDerWaalsContact C-N 3.35Å; H273-R276 PolarHBondContact O-N 3.07Å; H273-G277 PolarHBondContact O-N 3.22Å
274R50.3Low42.3Very low170 Ų170123.4 Ų123.464%0.64259%0.585SS**Hα-helixtrans-63.2-41168.5-80.6-179.4174.8177.1-1.2111.9L270 R271 R276 G277L270-R274 PolarHBondContact O-N 2.91Å; L270-R274 VanDerWaalsContact O-N 3.08Å; R271-R274 PolarHBondContact O-N 3.02Å; R274-R276 VanDerWaalsContact C-N 3.27Å; R274-R276 PolarHBondContact O-N 3.01Å; R274-G277 PolarHBondContact O-N 3.47Å
275E44.1Very low41.3Very low135 Ų135122.3 Ų122.363%0.63160%0.6SS**Hα-helixtrans-68.2-24.9178-71.2168.5-175.300112.8R271 H273R271-E275 WeakPolarHBondContact O-CG 3.48Å; R271-E275 PolarHBondContact O-N 3Å; H273-E275 VanDerWaalsContact C-N 3.35Å
276R46.8Very low40.8Very low187 Ų187126.5 Ų126.571%0.70662%0.622SS**Hα-helixtrans-84.9-16.6174.7-75.9177.6-179.3-169.60.8114.4Q272 H273 R274Q272-R276 WeakPolarHBondContact O-CG 3.33Å; Q272-R276 PolarHBondContact O-N 2.79Å; H273-R276 PolarHBondContact O-N 3.07Å; R274-R276 VanDerWaalsContact C-N 3.27Å; R274-R276 PolarHBondContact O-N 3.01Å
277G38.3Very low39.6Very low61 Ų61132.6 Ų132.663%0.62966%0.657SS**Hα-helixtrans-86.1-11.5179.400000114.9H273 R274H273-G277 PolarHBondContact O-N 3.22Å; R274-G277 PolarHBondContact O-N 3.47Å
278H39.6Very low38.8Very low161 Ų161133.6 Ų133.675%0.74567%0.674SS**  trans-106.942.8-176-82.9-64.4000114
279L34.6Very low38.1Very low158 Ų158131.8 Ų131.883%0.82768%0.684SS**  trans-11376.3165.4-69171.3000109.4
280T32.5Very low37.4Very low134 Ų134134.8 Ų134.882%0.82271%0.712SS**  trans-80.1135.6160.844.30000109.3
281A35.4Very low36.7Very low100 Ų100137.4 Ų137.483%0.82674%0.74SS**  trans-55.6135.9-173.800000113.6
282R29.9Very low35.9Very low243 Ų243138 Ų13892%0.91775%0.752SS**  trans-136.3147.3152.3-92.8-170.6168.5-174-3.5110.2
283P32.5Very low35.3Very low122 Ų122139.8 Ų139.879%0.79277%0.771SS**  trans-81157.9-158.332.9-34.6000113.2
284F28.7Very low34.3Very low204 Ų204140.9 Ų140.990%0.89579%0.786SS**  trans-39.3131.9175.7-76-98.3000115.3
285C25.2Very low33.7Very low133 Ų133144.4 Ų144.490%0.89980%0.799SS**  trans-138.6130.6138.9-79.40000109.3
286L31.3Very low33.4Very low161 Ų161142.7 Ų142.784%0.84379%0.794SS**  trans-67.1143173.6-72.2148.6000110.4
287L27.6Very low33.2Very low171 Ų171138 Ų13890%0.89579%0.79SS**  trans-175140.7132.2-94.6153.5000111.9
288S28.8Very low33.1Very low111 Ų111141.2 Ų141.278%0.77679%0.787SS**  trans-30146.6-174.7-560000122.4
289S30.6Very low33.6Very low114 Ų114137.3 Ų137.380%0.79778%0.775SS**  trans-56.4165.6167.4-47.60000114.6
290P33.2Very low34Very low126 Ų126136.6 Ų136.682%0.81877%0.767SS**  -136.6160.684.829.2-10.5000115.1
291A34.9Very low34.8Very low102 Ų102134.9 Ų134.984%0.84375%0.75SS**  trans-64.5137.3-173.400000114.6
292I33.2Very low35.2Very low155 Ų155135.9 Ų135.980%0.79574%0.739SS**  trans-129.2131.1161.4-60177.8000107.3S294I292-S294 PolarHBondContact O-N 2.66Å; I292-S294 VanDerWaalsContact O-N 3.1Å
293P31.6Very low36.1Very low122 Ų122133.4 Ų133.479%0.79273%0.73SS**  trans-73.6107.4-171.428.5-31.9000110.8R295P293-R295 PolarHBondContact O-N 3.4Å
294S30.9Very low36.7Very low88 Ų88135.8 Ų135.862%0.61572%0.723SS**  trans-64.3103.5171.4172.30000110.4I292 N296I292-S294 PolarHBondContact O-N 2.66Å; I292-S294 VanDerWaalsContact O-N 3.1Å; S294-N296 PolarHBondContact O-N 3Å; S294-N296 PolarHBondContact OG-OD1 3.02Å
295R37.9Very low37.7Very low245 Ų245129.8 Ų129.893%0.92570%0.7SS**  trans-64.681159.3-88.4178.8154.2179.6-4.6108.7P293 S297P293-R295 PolarHBondContact O-N 3.4Å; R295-S297 PolarHBondContact O-N 2.88Å
296N37Very low38.8Very low98 Ų98126.3 Ų126.352%0.52468%0.681SS.*  trans-68.689.2171.4-85.5-25.1000110.5S294 F298 T299S294-N296 PolarHBondContact O-N 3Å; S294-N296 PolarHBondContact OG-OD1 3.02Å; N296-F298 PolarHBondContact O-N 3.5Å; N296-T299 PolarHBondContact O-OG1 3.47Å
297S42.9Very low39.4Very low89 Ų89123.9 Ų123.962%0.62267%0.668SS**Hα-helixtrans-59.2-22.1171.663.10000112.9R295 Q301R295-S297 PolarHBondContact O-N 2.88Å; S297-Q301 WeakPolarHBondContact O-CB 3.46Å; S297-Q301 PolarHBondContact O-N 3.41Å
298F37.5Very low40.4Very low129 Ų129122.3 Ų122.357%0.56665%0.654SS**Hα-helixtrans-70.1-38.7-176.5-167.2-106.8000113.9N296 M302N296-F298 PolarHBondContact O-N 3.5Å; F298-M302 WeakPolarHBondContact O-CG 3.07Å; F298-M302 PolarHBondContact O-N 2.75Å; F298-M302 VanDerWaalsContact O-N 3.14Å
299T49.8Very low41.1Very low78 Ų78121.9 Ų121.948%0.47964%0.643SS.*Hα-helixtrans-77.2-31.2178.954.60000111.9N296 R303N296-T299 PolarHBondContact O-OG1 3.47Å; T299-R303 WeakPolarHBondContact O-CB 3.44Å; T299-R303 WeakPolarHBondContact O-CG 3.5Å; T299-R303 PolarHBondContact O-N 3.32Å
300Q43.2Very low41.9Very low143 Ų143122.7 Ų122.767%0.66863%0.632SS**Hα-helixtrans-68-39.6171.2-74.8-1702600111.9R303 R304Q300-R303 PolarHBondContact O-N 3.04Å; Q300-R304 VanDerWaalsContact O-CB 3.3Å; Q300-R304 WeakPolarHBondContact O-CB 3.4Å; Q300-R304 PolarHBondContact O-N 3.18Å
301Q48.1Very low42.4Very low99 Ų99124.3 Ų124.346%0.46363%0.626SS.*Hα-helixtrans-68.1-40.6178.7-167.6162.66.900112.3S297 R304 N305S297-Q301 WeakPolarHBondContact O-CB 3.46Å; S297-Q301 PolarHBondContact O-N 3.41Å; Q301-R304 PolarHBondContact O-N 2.88Å; Q301-N305 WeakPolarHBondContact O-CB 3.37Å; Q301-N305 VanDerWaalsContact O-CG 3.31Å; Q301-N305 PolarHBondContact O-N 3.12Å
302M44.3Very low42.8Very low121 Ų121123.9 Ų123.960%0.59661%0.61SS**Hα-helixtrans-64-41.6172.9-74-72.6-82.100112.2F298 N305 A306F298-M302 WeakPolarHBondContact O-CG 3.07Å; F298-M302 PolarHBondContact O-N 2.75Å; F298-M302 VanDerWaalsContact O-N 3.14Å; M302-N305 PolarHBondContact O-N 3.29Å; M302-A306 WeakPolarHBondContact O-CB 3.37Å; M302-A306 PolarHBondContact O-N 2.89Å
303R47.6Very low43.5Very low190 Ų190121.3 Ų121.372%0.71760%0.597SS**Hα-helixtrans-64.4-40.2173.1-78.6-179180-179.81.1111.9T299 Q300 A306 L307T299-R303 WeakPolarHBondContact O-CB 3.44Å; T299-R303 WeakPolarHBondContact O-CG 3.5Å; T299-R303 PolarHBondContact O-N 3.32Å; Q300-R303 PolarHBondContact O-N 3.04Å; R303-A306 PolarHBondContact O-N 3.42Å; R303-L307 VanDerWaalsContact O-CB 3.29Å; R303-L307 WeakPolarHBondContact O-CB 3.27Å; R303-L307 WeakPolarHBondContact O-CD1 3.18Å; R303-L307 WeakPolarHBondContact O-CG 3.24Å; R303-L307 PolarHBondContact O-N 3.01Å
304R47Very low44.3Very low173 Ų173118.9 Ų118.965%0.65358%0.578SS**Hα-helixtrans-66-39.7178.8-151.8178.5-129.4161.91.7111.7Q300 Q301 L307 K308Q300-R304 VanDerWaalsContact O-CB 3.3Å; Q300-R304 WeakPolarHBondContact O-CB 3.4Å; Q300-R304 PolarHBondContact O-N 3.18Å; Q301-R304 PolarHBondContact O-N 2.88Å; R304-L307 PolarHBondContact O-N 3.18Å; R304-K308 WeakPolarHBondContact O-CB 3.29Å; R304-K308 WeakPolarHBondContact O-CG 3.11Å; R304-K308 PolarHBondContact O-N 3.21Å
305N48.8Very low45.4Very low77 Ų77118.2 Ų118.241%0.41257%0.57SS.*Hα-helixtrans-71.1-38.6176.5-71.1-12.5000112.1Q301 M302 K308 N309Q301-N305 WeakPolarHBondContact O-CB 3.37Å; Q301-N305 VanDerWaalsContact O-CG 3.31Å; Q301-N305 PolarHBondContact O-N 3.12Å; M302-N305 PolarHBondContact O-N 3.29Å; N305-K308 PolarHBondContact O-N 2.81Å; N305-N309 PolarHBondContact O-N 3.46Å; N305-N309 PolarHBondContact O-ND2 3.3Å
306A48Very low46.1Very low61 Ų61111.9 Ų111.950%0.50455%0.549SS..Hα-helixtrans-64.4-41.2171.900000112.3M302 R303 N309 K310M302-A306 WeakPolarHBondContact O-CB 3.37Å; M302-A306 PolarHBondContact O-N 2.89Å; R303-A306 PolarHBondContact O-N 3.42Å; A306-N309 PolarHBondContact O-N 3.23Å; A306-K310 PolarHBondContact O-N 3.4Å
307L44.1Very low46.6Very low110 Ų110115.4 Ų115.458%0.57656%0.555SS**Hα-helixtrans-68.3-37.1176.7-75.8161.7000112.6R303 R304 K310 K311R303-L307 VanDerWaalsContact O-CB 3.29Å; R303-L307 WeakPolarHBondContact O-CB 3.27Å; R303-L307 WeakPolarHBondContact O-CD1 3.18Å; R303-L307 WeakPolarHBondContact O-CG 3.24Å; R303-L307 PolarHBondContact O-N 3.01Å; R304-L307 PolarHBondContact O-N 3.18Å; L307-K310 PolarHBondContact O-N 3.47Å; L307-K311 PolarHBondContact O-N 3.15Å
308K48.9Very low46.5Very low137 Ų137119.4 Ų119.460%0.59656%0.557SS**Hα-helixtrans-64.8-43173.5-80.6-178.2177-175.20111.6R304 N305 K310 K311 L312R304-K308 WeakPolarHBondContact O-CB 3.29Å; R304-K308 WeakPolarHBondContact O-CG 3.11Å; R304-K308 PolarHBondContact O-N 3.21Å; N305-K308 PolarHBondContact O-N 2.81Å; K308-K310 VanDerWaalsContact C-N 3.33Å; K308-K310 PolarHBondContact O-N 3.01Å; K308-K311 PolarHBondContact O-N 3.31Å; K308-L312 PolarHBondContact O-N 3.04Å
309N44Very low46.9Very low102 Ų102122.6 Ų122.655%0.54557%0.565SS.*Hα-helixtrans-65-35.9174.7-77.3-25.4000112.4N305 A306 L312 N313N305-N309 PolarHBondContact O-N 3.46Å; N305-N309 PolarHBondContact O-ND2 3.3Å; A306-N309 PolarHBondContact O-N 3.23Å; N309-L312 PolarHBondContact O-N 2.92Å; N309-N313 PolarHBondContact O-N 3.05Å; N309-N313 VanDerWaalsContact O-N 3.1Å
310K46.9Very low47.1Very low132 Ų132127.3 Ų127.357%0.57457%0.574SS**Hα-helixtrans-65.5-46.8173.1-166.6176.2178.4-179.80111.9A306 L307 K308 L312 N313 D314A306-K310 PolarHBondContact O-N 3.4Å; L307-K310 PolarHBondContact O-N 3.47Å; K308-K310 VanDerWaalsContact C-N 3.33Å; K308-K310 PolarHBondContact O-N 3.01Å; K310-L312 VanDerWaalsContact C-N 3.32Å; K310-L312 PolarHBondContact O-N 3.02Å; K310-N313 PolarHBondContact O-N 3.28Å; K310-N313 VanDerWaalsContact O-N 3.15Å; K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 2.95Å
311K43.5Very low47.5Very low159 Ų159124.3 Ų124.369%0.69156%0.56SS**Hα-helixtrans-60.9-36.2174.8-85.8-172.6174.3-175.30113.1L307 K308 D314 T315L307-K311 PolarHBondContact O-N 3.15Å; K308-K311 PolarHBondContact O-N 3.31Å; K311-D314 PolarHBondContact O-N 3.17Å; K311-T315 WeakPolarHBondContact O-CB 3.4Å; K311-T315 WeakPolarHBondContact O-CG2 3.42Å; K311-T315 PolarHBondContact O-N 3.08Å; K311-T315 PolarHBondContact O-OG1 3.4Å
312L43.3Very low47.4Very low93 Ų93126.4 Ų126.449%0.48757%0.568SS.*Hα-helixtrans-68.1-35.9176.1-160.880.8000111.8K308 N309 K310 T315 K316K308-L312 PolarHBondContact O-N 3.04Å; N309-L312 PolarHBondContact O-N 2.92Å; K310-L312 VanDerWaalsContact C-N 3.32Å; K310-L312 PolarHBondContact O-N 3.02Å; L312-T315 WeakPolarHBondContact CA-OG1 3.46Å; L312-T315 PolarHBondContact O-OG1 2.91Å; L312-K316 VanDerWaalsContact O-CG 3.3Å; L312-K316 WeakPolarHBondContact O-CG 3.31Å; L312-K316 PolarHBondContact O-N 3.33Å; L312-K316 VanDerWaalsContact O-N 3.13Å
313N48.7Very low47.8Very low101 Ų101128.1 Ų128.154%0.5457%0.574SS.*Hα-helixtrans-74-37.6174.6-76.2-13.2000112.2N309 K310 K316 R317N309-N313 PolarHBondContact O-N 3.05Å; N309-N313 VanDerWaalsContact O-N 3.1Å; K310-N313 PolarHBondContact O-N 3.28Å; K310-N313 VanDerWaalsContact O-N 3.15Å; N313-K316 PolarHBondContact O-N 2.65Å; N313-R317 WeakPolarHBondContact O-CB 3.48Å; N313-R317 PolarHBondContact O-N 3.31Å
314D48.3Very low47.9Very low72 Ų72129.1 Ų129.139%0.38558%0.578SS.*Hα-helixtrans-67.1-38.3176-69.7-26.9000111.5K310 K311 R317 W318K310-D314 VanDerWaalsContact O-CG 3.31Å; K310-D314 PolarHBondContact O-N 2.95Å; K311-D314 PolarHBondContact O-N 3.17Å; D314-R317 WeakPolarHBondContact O-CB 3.32Å; D314-R317 PolarHBondContact O-N 2.61Å; D314-W318 WeakPolarHBondContact O-CB 3.4Å; D314-W318 PolarHBondContact O-N 3.27Å
315T53.8Low47.8Very low74 Ų74130 Ų13045%0.45458%0.582SS.*Hα-helixtrans-69.1-35.517445.90000112.6K311 L312 W318 R319K311-T315 WeakPolarHBondContact O-CB 3.4Å; K311-T315 WeakPolarHBondContact O-CG2 3.42Å; K311-T315 PolarHBondContact O-N 3.08Å; K311-T315 PolarHBondContact O-OG1 3.4Å; L312-T315 WeakPolarHBondContact CA-OG1 3.46Å; L312-T315 PolarHBondContact O-OG1 2.91Å; T315-W318 PolarHBondContact O-N 3.48Å; T315-R319 WeakPolarHBondContact O-CG 3.44Å; T315-R319 PolarHBondContact O-N 3.35Å
316K51.9Low47.6Very low112 Ų112131.5 Ų131.549%0.48760%0.598SS.*Hα-helixtrans-66.2-36.1169.8-75.3176.5-177.4-179.30112.1L312 N313 R320L312-K316 VanDerWaalsContact O-CG 3.3Å; L312-K316 WeakPolarHBondContact O-CG 3.31Å; L312-K316 PolarHBondContact O-N 3.33Å; L312-K316 VanDerWaalsContact O-N 3.13Å; N313-K316 PolarHBondContact O-N 2.65Å; K316-R320 WeakPolarHBondContact O-CG 3.31Å; K316-R320 PolarHBondContact O-N 3.05Å
317R48.4Very low47.3Very low172 Ų172131.3 Ų131.365%0.64960%0.602SS**Hα-helixtrans-67.9-45.3174.1-170.8178.6-179.1178.92.6111.1N313 D314 R319 R320 E321N313-R317 WeakPolarHBondContact O-CB 3.48Å; N313-R317 PolarHBondContact O-N 3.31Å; D314-R317 WeakPolarHBondContact O-CB 3.32Å; D314-R317 PolarHBondContact O-N 2.61Å; R317-R319 PolarHBondContact O-N 3.39Å; R317-R320 PolarHBondContact O-N 2.99Å; R317-R320 VanDerWaalsContact O-N 3.14Å; R317-E321 PolarHBondContact O-N 3.06Å
318W39.4Very low47Very low173 Ų173132.5 Ų132.566%0.65561%0.609SS**Hα-helixtrans-62.3-37.7176.8-125.291.9000112.8D314 T315 E321 K322D314-W318 WeakPolarHBondContact O-CB 3.4Å; D314-W318 PolarHBondContact O-N 3.27Å; T315-W318 PolarHBondContact O-N 3.48Å; W318-E321 PolarHBondContact O-N 3.09Å; W318-K322 HydrophobicContact CZ3-CD 4.35Å; W318-K322 WeakPolarHBondContact O-CB 3.44Å; W318-K322 PolarHBondContact O-N 3.31Å
319R47.9Very low46.2Very low195 Ų195135 Ų13574%0.73662%0.622SS**Hα-helixtrans-64.7-37.7173.7-76.3-177.3-169.9-172.43.5112.5T315 R317 Q323T315-R319 WeakPolarHBondContact O-CG 3.44Å; T315-R319 PolarHBondContact O-N 3.35Å; R317-R319 PolarHBondContact O-N 3.39Å; R319-Q323 PolarHBondContact O-N 3.04Å; R319-Q323 VanDerWaalsContact O-N 3.16Å
320R52.8Low45.6Very low178 Ų178138.2 Ų138.267%0.67264%0.638SS**Hα-helixtrans-71-36.2173.3-67.1-176.9-146.7-153.64.6112.4K316 R317 R324K316-R320 WeakPolarHBondContact O-CG 3.31Å; K316-R320 PolarHBondContact O-N 3.05Å; R317-R320 PolarHBondContact O-N 2.99Å; R317-R320 VanDerWaalsContact O-N 3.14Å; R320-R324 PolarHBondContact O-N 3.23Å
321E52.1Low44.9Very low80 Ų80139.8 Ų139.837%0.37465%0.652SS.*Hα-helixtrans-65.8-39.9175.7-15491.5-148.400111.6R317 W318 R324 R325R317-E321 PolarHBondContact O-N 3.06Å; W318-E321 PolarHBondContact O-N 3.09Å; E321-R324 WeakPolarHBondContact O-CB 3.32Å; E321-R324 PolarHBondContact O-N 2.82Å; E321-R325 WeakPolarHBondContact O-CG 3.39Å; E321-R325 PolarHBondContact O-N 3.41Å
322K46.3Very low44.3Very low142 Ų142142 Ų14262%0.61766%0.662SS**Hα-helixtrans-71.1-35.9177.9-155.1178-175.7-1770112.2W318 R324 R325 S326W318-K322 HydrophobicContact CZ3-CD 4.35Å; W318-K322 WeakPolarHBondContact O-CB 3.44Å; W318-K322 PolarHBondContact O-N 3.31Å; K322-R324 VanDerWaalsContact C-N 3.34Å; K322-R325 PolarHBondContact O-N 3.04Å; K322-S326 WeakPolarHBondContact O-CB 3.32Å; K322-S326 PolarHBondContact O-N 3.31Å
323Q51.3Low43.6Very low157 Ų157148.8 Ų148.873%0.73468%0.681SS**Hα-helixtrans-64.9-35.8168.8-88.2179.5-36.600112.4R319R319-Q323 PolarHBondContact O-N 3.04Å; R319-Q323 VanDerWaalsContact O-N 3.16Å
324R49.7Very low42.7Very low212 Ų212149.5 Ų149.580%0.869%0.692SS**Hα-helixtrans-69-34.1172.8-88.6-179.3151.2175.7-6.2113.6R320 E321 K322R320-R324 PolarHBondContact O-N 3.23Å; E321-R324 WeakPolarHBondContact O-CB 3.32Å; E321-R324 PolarHBondContact O-N 2.82Å; K322-R324 VanDerWaalsContact C-N 3.34Å
325R46.8Very low41.8Very low192 Ų192158 Ų15873%0.72572%0.719SS**Hα-helixtrans-81.6-20.9179.8-74.4-177.8177.9-169.7-1.6114.3E321 K322 G327E321-R325 WeakPolarHBondContact O-CG 3.39Å; E321-R325 PolarHBondContact O-N 3.41Å; K322-R325 PolarHBondContact O-N 3.04Å; R325-G327 VanDerWaalsContact C-N 3.32Å
326S43.8Very low40.7Very low108 Ų108160.2 Ų160.276%0.75573%0.733SS**THydrogen-bonded Turntrans-87.20.7178.4-156.10000114K322K322-S326 WeakPolarHBondContact O-CB 3.32Å; K322-S326 PolarHBondContact O-N 3.31Å
327G42.3Very low39.7Very low57 Ų57161.1 Ų161.159%0.58875%0.748SS**  trans-103.450.5178.600000113.1R325R325-G327 VanDerWaalsContact C-N 3.32Å
328N36.6Very low39.1Very low134 Ų134158.2 Ų158.272%0.71775%0.751SS**  trans-131.282.7171.6-96.5-8.2000110.4
329H33Very low39.2Very low189 Ų189157.4 Ų157.488%0.87576%0.759SS**SBendtrans-154.794.6144-103.8-63.5000109
330L31.5Very low38.6Very low170 Ų170153.4 Ų153.489%0.8976%0.758SS**  trans15784.9137.8-95.2132.9000109.6
331L31.4Very low38.2Very low166 Ų166149.3 Ų149.387%0.86976%0.757SS**  trans-72.7121.9162.1-90.4147.8000109.3
332K30.9Very low37.8Very low204 Ų204154.8 Ų154.889%0.88778%0.782SS**  trans-138.7112.1145.3-100.7-177.7-176.7175.40111
333R29.6Very low37.4Very low236 Ų236153.8 Ų153.889%0.89179%0.788SS**  trans6294.2151.6-88.9178.2163.4179.3-4.8120.2
334C28.5Very low37.1Very low116 Ų116150.5 Ų150.578%0.78479%0.788SS**  36.2115.9114.3-150.30000119.4
335R29.9Very low36.7Very low250 Ų250148.4 Ų148.494%0.94379%0.791SS**  -168.3144.9117.5-100.8174.5-176.7-168.40.9110.7
336T31.7Very low37Very low121 Ų121150.6 Ų150.674%0.74280%0.799SS**  trans-87.1154.2-170.340.20000114.1
337V30.9Very low37.4Very low132 Ų132152.6 Ų152.680%0.880%0.802SS**  trans87.3148.6155-161.40000117.6
338P34.8Very low37.9Very low111 Ų111157.1 Ų157.172%0.72181%0.812SS**  cis-122.6179.7-26.128.8-8.9000114.6
339L40.8Very low38.9Very low155 Ų155159 Ų15981%0.81282%0.816SS**  trans-53.3135.9168.6-14383.2000113.2
340P36.7Very low40.1Very low112 Ų112155.2 Ų155.273%0.72781%0.806SS**  trans-100.788.416830.9-20.7000111.2
341S43.5Very low41.6Very low92 Ų92155.1 Ų155.164%0.64379%0.794SS**  trans-83.3133.1141.149.80000107.3
342Q44.5Very low43.4Very low195 Ų195153.6 Ų153.691%0.91179%0.791SS**  trans83.783.8-177.8-53.4177.1-700115.4
343V36.8Very low45.3Very low121 Ų121148.7 Ų148.773%0.73377%0.767SS**  trans-94.2105.4152.5179.70000106.6L345V343-L345 PolarHBondContact O-N 2.94Å
344A45.4Very low47.6Very low88 Ų88149.3 Ų149.373%0.72777%0.769SS**  trans-69.5114.7163.200000107.5R346A344-R346 PolarHBondContact O-N 3.11Å
345L42.5Very low50.2Low168 Ų168146.7 Ų146.788%0.8875%0.745SS**  trans-62107.4168.5-73.9167.9000107.1V343V343-L345 PolarHBondContact O-N 2.94Å
346R52.2Low53Low237 Ų237138.2 Ų138.289%0.89472%0.724SS**  trans-63.1142.9169.4-69.9-177.9176.3-175.5-2108.6A344 L348A344-R346 PolarHBondContact O-N 3.11Å; R346-L348 PolarHBondContact O-N 3.43Å
347D51.5Low55.4Low151 Ų151137.5 Ų137.581%0.80772%0.719SS**  trans-39109.8-177.9-67.9-47000113H349D347-H349 PolarHBondContact O-N 3.24Å
348L52.9Low58.2Low152 Ų152136.5 Ų136.580%0.79671%0.71SS**  trans-86.6100.1173.8-173.377.2000108.4R346 V350R346-L348 PolarHBondContact O-N 3.43Å; L348-V350 HydrophobicContact CD2-CG2 3.85Å; L348-V350 HydrophobicContact CG-CG2 4.03Å; L348-V350 PolarHBondContact O-N 3.06Å
349H59Low60.8Low174 Ų174132.8 Ų132.881%0.80668%0.682SS**  trans-83.1103.3169.7-82.7-73.7000110.5D347D347-H349 PolarHBondContact O-N 3.24Å
350V56.9Low63Low109 Ų109129.6 Ų129.666%0.66167%0.665SS**  trans-87.1117170.3-176.50000108.8L348 V352L348-V350 HydrophobicContact CD2-CG2 3.85Å; L348-V350 HydrophobicContact CG-CG2 4.03Å; L348-V350 PolarHBondContact O-N 3.06Å; V350-V352 HydrophobicContact CG1-CG2 4.2Å
351R64.2Low65.4Low168 Ų168128.5 Ų128.563%0.63465%0.653SS**  trans-101.1116166.8-80.5-173.5-157.8153.77.2109.5
352V67.5Low67.5Low133 Ų133129 Ų12981%0.80665%0.645SS**  trans-91.2119.4170.7-176.10000108V350V350-V352 HydrophobicContact CG1-CG2 4.2Å
353R72Confident69.6Low102 Ų102120.3 Ų120.339%0.38561%0.606SS.*  trans-108.4130.2174.3-59.1-172.9-168.5-135.515.7109L377R353-L377 PolarHBondContact NH2-O 3.2Å
354R77.7Confident71.9Confident248 Ų248122.4 Ų122.494%0.93661%0.605SS**  trans-97.3127.1177.7-167.6174.3177.5175-1.5108.9
355H83.6Confident73.9Confident62 Ų62122.4 Ų122.429%0.28759%0.593SS.*  trans-118.8151.5177.8-64.1-84.8000109.8F359 L360H355-F359 HydrophobicContact CB-CD1 3.79Å; H355-F359 HydrophobicContact CB-CE1 4.38Å; H355-F359 AromaticContact CE1-CE1 3.86Å; H355-F359 AromaticContact CG-CD1 3.86Å; H355-F359 AromaticContact CG-CE1 3.94Å; H355-F359 AromaticContact ND1-CD1 3.47Å; H355-F359 WeakPolarHBondContact ND1-CD1 3.4Å; H355-F359 AromaticContact ND1-CE1 3.26Å; H355-F359 VanDerWaalsContact ND1-CE1 3.26Å; H355-F359 WeakPolarHBondContact ND1-CE1 3.35Å; H355-L360 HydrophobicContact CB-CD1 4.43Å; H355-L360 HydrophobicContact CB-CD2 4.02Å; H355-L360 HydrophobicContact CB-CG 4.04Å
356S88.3Confident75.9Confident71 Ų71119.7 Ų119.750%0.49759%0.585SS.*  trans-71.3156170.662.90000110.5D358 F359 L360S356-D358 VanDerWaalsContact C-N 3.3Å; S356-D358 PolarHBondContact O-N 2.93Å; S356-F359 PolarHBondContact O-N 3.47Å; S356-F359 VanDerWaalsContact OG-CB 3.3Å; S356-F359 WeakPolarHBondContact OG-CB 3.49Å; S356-F359 PolarHBondContact OG-N 3.07Å; S356-L360 PolarHBondContact O-N 3.24Å
357V82.8Confident77.7Confident106 Ų106117.6 Ų117.664%0.64258%0.583SS**Hα-helixtrans-62.1-41.3177.9177.70000110.6F359 L360 L361V357-F359 VanDerWaalsContact C-N 3.33Å; V357-F359 PolarHBondContact O-N 3.12Å; V357-L360 PolarHBondContact O-N 3.1Å; V357-L361 HydrophobicContact CG1-CD1 4.05Å; V357-L361 HydrophobicContact CG1-CG 4.39Å; V357-L361 WeakPolarHBondContact O-CG 3.43Å; V357-L361 PolarHBondContact O-N 3.26Å
358D89.1Confident79.6Confident112 Ų112111.1 Ų111.160%0.59955%0.55SS*.Hα-helixtrans-62.1-39.8179.3-60.1-35.3000112.5S356 L361 Q362S356-D358 VanDerWaalsContact C-N 3.3Å; S356-D358 PolarHBondContact O-N 2.93Å; D358-L361 PolarHBondContact O-N 3.16Å; D358-Q362 WeakPolarHBondContact O-CG 3.39Å; D358-Q362 PolarHBondContact O-N 3.02Å
359F89.4Confident81.3Confident33 Ų33112.3 Ų112.315%0.14555%0.548CS..Hα-helixtrans-61.4-45.8175.1175.9-93.7000111.4H355 S356 V357 L361 Q362 C363 E370 L373 L374H355-F359 HydrophobicContact CB-CD1 3.79Å; H355-F359 HydrophobicContact CB-CE1 4.38Å; H355-F359 AromaticContact CE1-CE1 3.86Å; H355-F359 AromaticContact CG-CD1 3.86Å; H355-F359 AromaticContact CG-CE1 3.94Å; H355-F359 AromaticContact ND1-CD1 3.47Å; H355-F359 WeakPolarHBondContact ND1-CD1 3.4Å; H355-F359 AromaticContact ND1-CE1 3.26Å; H355-F359 VanDerWaalsContact ND1-CE1 3.26Å; H355-F359 WeakPolarHBondContact ND1-CE1 3.35Å; S356-F359 PolarHBondContact O-N 3.47Å; S356-F359 VanDerWaalsContact OG-CB 3.3Å; S356-F359 WeakPolarHBondContact OG-CB 3.49Å; S356-F359 PolarHBondContact OG-N 3.07Å; V357-F359 VanDerWaalsContact C-N 3.33Å; V357-F359 PolarHBondContact O-N 3.12Å; F359-L361 VanDerWaalsContact C-N 3.29Å; F359-L361 PolarHBondContact O-N 3.4Å; F359-Q362 PolarHBondContact O-N 3.44Å; F359-C363 PolarHBondContact O-N 3.09Å; F359-C363 VanDerWaalsContact O-N 3.09Å; F359-C363 PolarHBondContact O-SG 3.33Å; F359-E370 HydrophobicContact CD2-CB 4.12Å; F359-E370 HydrophobicContact CD2-CG 4.01Å; F359-E370 HydrophobicContact CE2-CB 3.81Å; F359-E370 HydrophobicContact CE2-CG 4.02Å; F359-E370 HydrophobicContact CZ-CB 4.39Å; F359-L373 HydrophobicContact CE2-CD2 4.15Å; F359-L373 HydrophobicContact CZ-CD2 4.41Å; F359-L374 HydrophobicContact CE1-CB 4.49Å; F359-L374 HydrophobicContact CE1-CD1 4.44Å; F359-L374 HydrophobicContact CZ-CB 4.43Å
360L87.4Confident82.8Confident87 Ų87106.7 Ų106.746%0.45552%0.522SS..Hα-helixtrans-67.3-30.7179.2-65.9176.8000112.7H355 S356 V357 C363H355-L360 HydrophobicContact CB-CD1 4.43Å; H355-L360 HydrophobicContact CB-CD2 4.02Å; H355-L360 HydrophobicContact CB-CG 4.04Å; S356-L360 PolarHBondContact O-N 3.24Å; V357-L360 PolarHBondContact O-N 3.1Å; L360-C363 PolarHBondContact O-N 2.91Å
361L87.4Confident84.5Confident89 Ų89104.7 Ų104.747%0.46650%0.503SS..Hα-helixtrans-69.3-39.3174.4-71.2173000111.7V357 D358 F359 C363 K364V357-L361 HydrophobicContact CG1-CD1 4.05Å; V357-L361 HydrophobicContact CG1-CG 4.39Å; V357-L361 WeakPolarHBondContact O-CG 3.43Å; V357-L361 PolarHBondContact O-N 3.26Å; D358-L361 PolarHBondContact O-N 3.16Å; F359-L361 VanDerWaalsContact C-N 3.29Å; F359-L361 PolarHBondContact O-N 3.4Å; L361-C363 VanDerWaalsContact C-N 3.28Å; L361-C363 PolarHBondContact O-N 3.27Å; L361-K364 HydrophobicContact CD2-CD 4.49Å; L361-K364 WeakPolarHBondContact O-CB 3.37Å; L361-K364 PolarHBondContact O-N 3.24Å
362Q87.1Confident85.7Confident102 Ų10299 Ų9948%0.47749%0.491SS..Hα-helixtrans-68.1-27.5175.2-70.1170.9-3.500112.5D358 F359 K364 S368 E370D358-Q362 WeakPolarHBondContact O-CG 3.39Å; D358-Q362 PolarHBondContact O-N 3.02Å; F359-Q362 PolarHBondContact O-N 3.44Å; Q362-K364 PolarHBondContact O-N 3.28Å; Q362-S368 VanDerWaalsContact O-CB 3.3Å; Q362-S368 WeakPolarHBondContact O-CB 3.33Å; Q362-S368 PolarHBondContact O-OG 3.17Å; Q362-E370 HydrophobicContact CB-CB 4.08Å; Q362-E370 HydrophobicContact CB-CG 3.86Å
363C87.2Confident86.6Confident14 Ų1496.4 Ų96.410%0.09547%0.473CS..THydrogen-bonded Turntrans-68.7-8.9172.7-680000114.7F359 L360 L361 D365 E370 R371 L374F359-C363 PolarHBondContact O-N 3.09Å; F359-C363 VanDerWaalsContact O-N 3.09Å; F359-C363 PolarHBondContact O-SG 3.33Å; L360-C363 PolarHBondContact O-N 2.91Å; L361-C363 VanDerWaalsContact C-N 3.28Å; L361-C363 PolarHBondContact O-N 3.27Å; C363-D365 VanDerWaalsContact C-N 3.29Å; C363-D365 PolarHBondContact O-N 3.33Å; C363-E370 PolarHBondContact SG-O 2.83Å; C363-E370 VanDerWaalsContact SG-O 3.39Å; C363-R371 WeakPolarHBondContact O-CD 3.44Å; C363-L374 HydrophobicContact CB-CD2 4.26Å
364K85Confident87.2Confident164 Ų16492.6 Ų92.671%0.71346%0.46SS*.THydrogen-bonded Turntrans-67.3-29.2177.5-74.3-175.9174.6178.20112.9L361 Q362 P366L361-K364 HydrophobicContact CD2-CD 4.49Å; L361-K364 WeakPolarHBondContact O-CB 3.37Å; L361-K364 PolarHBondContact O-N 3.24Å; Q362-K364 PolarHBondContact O-N 3.28Å; K364-P366 WeakPolarHBondContact O-CD 3.36Å
365D88.5Confident87.6Confident88 Ų8884.8 Ų84.847%0.47143%0.434SS..SBendtrans-79.1118.8172.7180-1000109.5C363 K367 S368 R371C363-D365 VanDerWaalsContact C-N 3.29Å; C363-D365 PolarHBondContact O-N 3.33Å; D365-K367 PolarHBondContact O-N 3.21Å; D365-K367 PolarHBondContact OD1-N 3.21Å; D365-S368 PolarHBondContact O-N 3.28Å; D365-S368 VanDerWaalsContact O-N 3.12Å; D365-S368 PolarHBondContact O-OG 2.78Å; D365-S368 VanDerWaalsContact O-OG 3.1Å; D365-R371 WeakPolarHBondContact O-CB 3.3Å
366P85.4Confident87.5Confident111 Ų11188 Ų8872%0.72145%0.449SS*.THydrogen-bonded Turntrans-59.6-18.6178.6-21.833000114.5K364K364-P366 WeakPolarHBondContact O-CD 3.36Å
367K88.5Confident87.1Confident193 Ų19387 Ų8784%0.83944%0.438SS*.THydrogen-bonded Turntrans-101.71.7-178.8-62.2-176.1-179.8-1800113.4D365D365-K367 PolarHBondContact O-N 3.21Å; D365-K367 PolarHBondContact OD1-N 3.21Å
368S92.1Very high86.9Confident16 Ų1687.9 Ų87.911%0.11244%0.435CS..SBendtrans-71.9152.5179.773.10000112.1Q362 D365 E370 R371 A372Q362-S368 VanDerWaalsContact O-CB 3.3Å; Q362-S368 WeakPolarHBondContact O-CB 3.33Å; Q362-S368 PolarHBondContact O-OG 3.17Å; D365-S368 PolarHBondContact O-N 3.28Å; D365-S368 VanDerWaalsContact O-N 3.12Å; D365-S368 PolarHBondContact O-OG 2.78Å; D365-S368 VanDerWaalsContact O-OG 3.1Å; S368-E370 WeakPolarHBondContact CB-OE2 3.42Å; S368-E370 PolarHBondContact O-N 3.22Å; S368-R371 PolarHBondContact O-N 2.99Å; S368-R371 WeakPolarHBondContact OG-CB 3.26Å; S368-R371 PolarHBondContact OG-N 3.12Å; S368-R371 VanDerWaalsContact OG-N 3.09Å; S368-A372 PolarHBondContact O-N 3.36Å
369K89Confident86.1Confident176 Ų17689.7 Ų89.777%0.76544%0.44SS*.Hα-helixtrans-65.2-32.6177-66.4-179.1179.8178.50110.7A372 L373K369-A372 PolarHBondContact O-N 3.25Å; K369-L373 WeakPolarHBondContact O-CB 3.47Å; K369-L373 PolarHBondContact O-N 3.45Å
370E90.6Very high84.8Confident57 Ų5792.1 Ų92.127%0.26646%0.457SS..Hα-helixtrans-67.9-38.9178.2-62.973-156.600111.2F359 Q362 C363 S368 L373 L374F359-E370 HydrophobicContact CD2-CB 4.12Å; F359-E370 HydrophobicContact CD2-CG 4.01Å; F359-E370 HydrophobicContact CE2-CB 3.81Å; F359-E370 HydrophobicContact CE2-CG 4.02Å; F359-E370 HydrophobicContact CZ-CB 4.39Å; Q362-E370 HydrophobicContact CB-CB 4.08Å; Q362-E370 HydrophobicContact CB-CG 3.86Å; C363-E370 PolarHBondContact SG-O 2.83Å; C363-E370 VanDerWaalsContact SG-O 3.39Å; S368-E370 WeakPolarHBondContact CB-OE2 3.42Å; S368-E370 PolarHBondContact O-N 3.22Å; E370-L373 PolarHBondContact O-N 3.2Å; E370-L374 WeakPolarHBondContact O-CB 3.5Å; E370-L374 PolarHBondContact O-N 3.4Å
371R91.8Very high83.2Confident67 Ų6796.7 Ų96.725%0.25347%0.474SS..Hα-helixtrans-67.3-40.9174.6-177.455.4-179.4144.4-0.5112C363 D365 S368 L374 Q375 E378C363-R371 WeakPolarHBondContact O-CD 3.44Å; D365-R371 WeakPolarHBondContact O-CB 3.3Å; S368-R371 PolarHBondContact O-N 2.99Å; S368-R371 WeakPolarHBondContact OG-CB 3.26Å; S368-R371 PolarHBondContact OG-N 3.12Å; S368-R371 VanDerWaalsContact OG-N 3.09Å; R371-L374 PolarHBondContact O-N 3.19Å; R371-Q375 WeakPolarHBondContact O-CG 3.44Å; R371-Q375 PolarHBondContact O-N 3.46Å; R371-Q375 VanDerWaalsContact O-N 3.08Å; R371-E378 IonicContact NH1-OE2 3.05Å
372A89Confident81.5Confident47 Ų4797.5 Ų97.539%0.38848%0.484SS..Hα-helixtrans-62.4-44.4174.900000111.6S368 K369 L374 Q375 E376S368-A372 PolarHBondContact O-N 3.36Å; K369-A372 PolarHBondContact O-N 3.25Å; A372-L374 PolarHBondContact O-N 3.05Å; A372-Q375 PolarHBondContact O-N 3.45Å; A372-E376 PolarHBondContact O-N 3.39Å; A372-E376 VanDerWaalsContact O-N 3.09Å
373L86Confident79.6Confident80 Ų80104.4 Ų104.442%0.41951%0.506SS..Hα-helixtrans-61.8-43.4175.5-17568000111.8F359 K369 E370 Q375 E376 L377F359-L373 HydrophobicContact CE2-CD2 4.15Å; F359-L373 HydrophobicContact CZ-CD2 4.41Å; K369-L373 WeakPolarHBondContact O-CB 3.47Å; K369-L373 PolarHBondContact O-N 3.45Å; E370-L373 PolarHBondContact O-N 3.2Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.23Å; L373-E376 PolarHBondContact O-N 3.42Å; L373-L377 HydrophobicContact CG-CD1 4.49Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.38Å; L373-L377 PolarHBondContact O-N 3.25Å; L373-L377 VanDerWaalsContact O-N 3.09Å
374L86.5Confident77.4Confident22 Ų22113.6 Ų113.612%0.11554%0.544CS..Hα-helixtrans-61-39.7177.7-177.161000111.8F359 C363 E370 R371 A372 L377 E378F359-L374 HydrophobicContact CE1-CB 4.49Å; F359-L374 HydrophobicContact CE1-CD1 4.44Å; F359-L374 HydrophobicContact CZ-CB 4.43Å; C363-L374 HydrophobicContact CB-CD2 4.26Å; E370-L374 WeakPolarHBondContact O-CB 3.5Å; E370-L374 PolarHBondContact O-N 3.4Å; R371-L374 PolarHBondContact O-N 3.19Å; A372-L374 PolarHBondContact O-N 3.05Å; L374-L377 PolarHBondContact O-N 3.4Å; L374-E378 WeakPolarHBondContact O-CG 3.3Å; L374-E378 PolarHBondContact O-N 3.31Å
375Q84.8Confident75.2Confident83 Ų83110 Ų11039%0.38855%0.546SS..Hα-helixtrans-63.6-43.2175.5-76.4177.5-33.500112.2R371 A372 L373 L377 E378 E379R371-Q375 WeakPolarHBondContact O-CG 3.44Å; R371-Q375 PolarHBondContact O-N 3.46Å; R371-Q375 VanDerWaalsContact O-N 3.08Å; A372-Q375 PolarHBondContact O-N 3.45Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.23Å; Q375-L377 VanDerWaalsContact C-N 3.27Å; Q375-L377 PolarHBondContact O-N 3.09Å; Q375-E378 PolarHBondContact O-N 2.73Å; Q375-E378 VanDerWaalsContact O-N 3.16Å; Q375-E379 WeakPolarHBondContact O-CB 3.46Å; Q375-E379 WeakPolarHBondContact O-CG 3.3Å; Q375-E379 PolarHBondContact O-N 3.09Å
376E82.7Confident72.7Confident129 Ų129110.4 Ų110.460%0.60356%0.561SS**Hα-helixtrans-58.4-41.1173.9-71-179-174.100111.4A372 L373 E378 E379 V380A372-E376 PolarHBondContact O-N 3.39Å; A372-E376 VanDerWaalsContact O-N 3.09Å; L373-E376 PolarHBondContact O-N 3.42Å; E376-E378 VanDerWaalsContact C-N 3.32Å; E376-E378 PolarHBondContact O-N 3.36Å; E376-E379 PolarHBondContact O-N 3.08Å; E376-V380 WeakPolarHBondContact O-CG2 3.34Å; E376-V380 PolarHBondContact O-N 3.3Å
377L78.3Confident70.5Confident50 Ų50111.2 Ų111.226%0.26256%0.563SS.*Hα-helixtrans-69.3-28.8179.1-60.5175.3000113.4R353 L373 L374 Q375R353-L377 PolarHBondContact NH2-O 3.2Å; L373-L377 HydrophobicContact CG-CD1 4.49Å; L373-L377 VanDerWaalsContact O-CG 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.38Å; L373-L377 PolarHBondContact O-N 3.25Å; L373-L377 VanDerWaalsContact O-N 3.09Å; L374-L377 PolarHBondContact O-N 3.4Å; Q375-L377 VanDerWaalsContact C-N 3.27Å; Q375-L377 PolarHBondContact O-N 3.09Å
378E79.2Confident67.9Low125 Ų125110.9 Ų110.958%0.58457%0.565SS**Hα-helixtrans-75.9-34.5173.9-72.6171170.900111.8R371 L374 Q375 E376R371-E378 IonicContact NH1-OE2 3.05Å; L374-E378 WeakPolarHBondContact O-CG 3.3Å; L374-E378 PolarHBondContact O-N 3.31Å; Q375-E378 PolarHBondContact O-N 2.73Å; Q375-E378 VanDerWaalsContact O-N 3.16Å; E376-E378 VanDerWaalsContact C-N 3.32Å; E376-E378 PolarHBondContact O-N 3.36Å
379E72.3Confident65.2Low151 Ų151118.7 Ų118.771%0.70660%0.6SS**Hα-helixtrans-88.5-8.5-174.3-71.9-172-179.200115.3Q375 E376 K381Q375-E379 WeakPolarHBondContact O-CB 3.46Å; Q375-E379 WeakPolarHBondContact O-CG 3.3Å; Q375-E379 PolarHBondContact O-N 3.09Å; E376-E379 PolarHBondContact O-N 3.08Å; E379-K381 PolarHBondContact O-N 2.92Å
380V61.1Low62.6Low84 Ų84117.8 Ų117.851%0.50960%0.603SS.*  trans-60.697.8177.3172.50000110.8E376E376-V380 WeakPolarHBondContact O-CG2 3.34Å; E376-V380 PolarHBondContact O-N 3.3Å
381K55.2Low60.4Low183 Ų183120.2 Ų120.280%0.79662%0.624SS**PPolyproline II helixtrans-63142.6164.8-76.7178.7179.5171.70109.7E379 R383E379-K381 PolarHBondContact O-N 2.92Å; K381-R383 PolarHBondContact O-N 3.45Å
382P52.2Low57.9Low106 Ų106126.5 Ų126.569%0.68865%0.653SS**PPolyproline II helixtrans-59.6128.4178.823.2-31.4000110.4K384P382-K384 PolarHBondContact O-N 2.96Å
383R47.2Very low55.2Low247 Ų247133.9 Ų133.993%0.93270%0.702SS**PPolyproline II helixtrans-57.8121.3167.5-77.3-177.3174178.1-2.1107.3K381 A385K381-R383 PolarHBondContact O-N 3.45Å; R383-A385 PolarHBondContact O-N 3.47Å
384K39.3Very low53.7Low206 Ų206136.6 Ų136.690%0.89672%0.716SS**PPolyproline II helixtrans-58122169.8-75.7-178.7175.5-179.10107.5P382 A386P382-K384 PolarHBondContact O-N 2.96Å; K384-A386 PolarHBondContact O-N 3.39Å
385A39.1Very low51.9Low90 Ų90142.6 Ų142.674%0.74475%0.747SS**PPolyproline II helixtrans-57.4122.1167.900000107.8R383 V387R383-A385 PolarHBondContact O-N 3.47Å; A385-V387 PolarHBondContact O-N 3.2Å; A385-V387 VanDerWaalsContact O-N 3.17Å
386A36.9Very low50.1Low95 Ų95145.9 Ų145.979%0.78577%0.767SS**  trans-64114.1166.800000106.7K384 E388K384-A386 PolarHBondContact O-N 3.39Å; A386-E388 PolarHBondContact O-N 3.09Å
387V38.2Very low48.2Very low129 Ų129146.9 Ų146.978%0.78278%0.777SS**  trans-72.4102.8165.3176.20000105A385 E389A385-V387 PolarHBondContact O-N 3.2Å; A385-V387 VanDerWaalsContact O-N 3.17Å; V387-E389 PolarHBondContact O-N 3.16Å; V387-E389 VanDerWaalsContact O-N 3.12Å
388E35.4Very low46.3Very low185 Ų185153 Ų15386%0.86481%0.809SS**  trans-66.5102.4160-81.9-179.715800107A386 N390A386-E388 PolarHBondContact O-N 3.09Å; E388-N390 PolarHBondContact O-N 3.45Å; E388-N390 VanDerWaalsContact O-N 3.16Å
389E34.5Very low44.1Very low181 Ų181154.9 Ų154.985%0.84682%0.824SS**  trans-62.1108.6159.2-76.4-176157.100107.6V387 P391V387-E389 PolarHBondContact O-N 3.16Å; V387-E389 VanDerWaalsContact O-N 3.12Å; E389-P391 WeakPolarHBondContact O-CD 3.37Å
390N34.5Very low42.1Very low157 Ų157155.1 Ų155.184%0.8483%0.833SS**  trans-78.6116.9170.3-156.712.4000108.2E388 K392E388-N390 PolarHBondContact O-N 3.45Å; E388-N390 VanDerWaalsContact O-N 3.16Å; N390-K392 PolarHBondContact O-N 3.35Å
391P43.3Very low40.7Very low107 Ų107160.6 Ų160.670%0.69586%0.858SS**  trans-84.5116.3177.331.3-26.7000109.9E389E389-P391 WeakPolarHBondContact O-CD 3.37Å
392K39.3Very low39.5Very low200 Ų200158.8 Ų158.887%0.8786%0.863SS**  trans54.9111.1151.9-61-179.2178.2179.50118.2N390N390-K392 PolarHBondContact O-N 3.35Å
393S33.5Very low38.3Very low202 Ų202163.5 Ų163.5100%1.41388%0.879SS**  -154.90120.4-73.70000109.2

Retrieved 393 of 393 residues in 831.3 ms (Link to these results)

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