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Casein kinase II subunit alpha-2

Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. It can phosphorylate a large number of proteins (By similarity). Involved in photoperiod sensitivity (PS). Increases days-to-heading under natural day (ND) and long day (LD) conditions, but not under short day (SD) conditions1.

AlphaFold DB (B6F107), UniProt , Accession Q9AR27, Species ORYSI (Oryza sativa subsp. indica, Rice), Gene HD6, Length 333 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
1M78.1Confident96.1Very high203 Ų20358.5 Ų58.5100%128%0.283SS*.  0127.60-92.8-175.1-11500109.1D203M1-D203 VanDerWaalsContact CA-OD2 3.23Å; M1-D203 WeakPolarHBondContact CA-OD2 3.33Å
2S92.6Very high96.3Very high7 Ų761.3 Ų61.35%0.04931%0.305CS..  trans-76.6147.6174173.30000111.1D203 H304 Q305S2-D203 WeakPolarHBondContact CB-O 2.98Å; S2-D203 PolarHBondContact N-OD2 2.74Å; S2-H304 PolarHBondContact OG-NE2 3.09Å; S2-Q305 PolarHBondContact OG-NE2 3.21Å; S2-Q305 VanDerWaalsContact OG-NE2 3.15Å
3K97.4Very high96.4Very high95 Ų9568.1 Ų68.141%0.41334%0.342SS..  trans-137.1141169.8-178175.9177.1175.50108.3R5 A8 D9 P179 Q305K3-R5 PolarHBondContact O-N 2.87Å; K3-A8 HydrophobicContact CD-CB 4.22Å; K3-A8 HydrophobicContact CG-CB 3.95Å; K3-D9 VanDerWaalsContact NZ-CG 3.33Å; K3-D9 IonicContact NZ-OD1 3.82Å; K3-D9 PolarHBondContact NZ-OD1 2.97Å; K3-D9 IonicContact NZ-OD2 2.89Å; K3-D9 PolarHBondContact NZ-OD2 3.03Å; K3-P179 HydrophobicContact CD-CB 4.4Å; K3-P179 HydrophobicContact CG-CB 4.31Å; K3-Q305 PolarHBondContact O-NE2 3.24Å; K3-Q305 PolarHBondContact O-OE1 3.03Å
4A98.6Very high96.6Very high6 Ų670.4 Ų70.45%0.0535%0.345CS..  trans-56.6136.4176.200000111.3V6 A8 Y177 D205 Y206A4-V6 WeakPolarHBondContact CB-O 3Å; A4-V6 PolarHBondContact O-N 2.84Å; A4-A8 HydrophobicContact CB-CB 4.01Å; A4-A8 WeakPolarHBondContact O-CB 3.34Å; A4-Y177 HydrophobicContact CB-CD1 4.46Å; A4-Y177 HydrophobicContact CB-CE1 3.77Å; A4-Y177 HydrophobicContact CB-CE2 4.32Å; A4-Y177 PolarHBondContact N-OH 3.2Å; A4-D205 WeakPolarHBondContact CA-OD2 3.38Å; A4-D205 HydrophobicContact CB-CB 3.73Å; A4-Y206 HydrophobicContact CB-CD2 3.64Å; A4-Y206 HydrophobicContact CB-CE2 3.53Å
5R98.7Very high96.7Very high108 Ų10870.7 Ų70.741%0.40835%0.354SS..SBendtrans-64.7-29.4175.9-77.9170.347.3-154.3-13.9113.4K3 Q305 R307 E312K3-R5 PolarHBondContact O-N 2.87Å; R5-Q305 WeakPolarHBondContact CD-O 3.16Å; R5-Q305 VanDerWaalsContact CG-OE1 3.25Å; R5-Q305 PolarHBondContact NH1-O 3.42Å; R5-R307 PolarHBondContact NH1-O 3.25Å; R5-E312 IonicContact CZ-OE2 2.75Å; R5-E312 IonicContact NH2-OE1 3.25Å; R5-E312 PolarHBondContact NH2-OE1 2.88Å; R5-E312 IonicContact NH2-OE2 3.63Å; R5-E312 PolarHBondContact NH2-OE2 3.23Å
6V98.7Very high96.7Very high48 Ų4874.1 Ų74.129%0.29137%0.366SS..SBendtrans-133.8155.4-176.8-65.70000110A4 A8 Y206 T309A4-V6 WeakPolarHBondContact CB-O 3Å; A4-V6 PolarHBondContact O-N 2.84Å; V6-A8 PolarHBondContact O-N 3.5Å; V6-Y206 VanDerWaalsContact O-CE2 3.25Å; V6-Y206 WeakPolarHBondContact O-CE2 3.23Å; V6-T309 HydrophobicContact CB-CG2 4.38Å; V6-T309 HydrophobicContact CG1-CG2 3.86Å; V6-T309 HydrophobicContact CG2-CG2 3.57Å
7Y98.7Very high96.8Very high68 Ų6877.2 Ų77.227%0.26738%0.379SS..SBendtrans56.414175.5-48.1-53.4000116D9 V10 D140 H143 Y206Y7-D9 VanDerWaalsContact C-N 3.26Å; Y7-D9 PolarHBondContact O-N 3.41Å; Y7-D9 VanDerWaalsContact O-N 3.13Å; Y7-V10 HydrophobicContact CD1-CG2 4.41Å; Y7-V10 WeakPolarHBondContact O-CB 3.45Å; Y7-V10 VanDerWaalsContact O-CG2 3.31Å; Y7-V10 WeakPolarHBondContact O-CG2 3.48Å; Y7-V10 PolarHBondContact O-N 3.03Å; Y7-V10 VanDerWaalsContact O-N 3.16Å; Y7-D140 PolarHBondContact OH-OD1 2.89Å; Y7-H143 WeakPolarHBondContact CB-O 3.02Å; Y7-H143 HydrophobicContact CD2-CB 3.88Å; Y7-H143 HydrophobicContact CE2-CB 4.09Å; Y7-Y206 PolarHBondContact O-OH 3.27Å
8A98.5Very high96.9Very high10 Ų1074.3 Ų74.38%0.08336%0.364CS..THydrogen-bonded Turntrans-62.1-31.5-167.200000114.5K3 A4 V6 Y177 P179K3-A8 HydrophobicContact CD-CB 4.22Å; K3-A8 HydrophobicContact CG-CB 3.95Å; A4-A8 HydrophobicContact CB-CB 4.01Å; A4-A8 WeakPolarHBondContact O-CB 3.34Å; V6-A8 PolarHBondContact O-N 3.5Å; A8-Y177 HydrophobicContact CB-CE1 4.11Å; A8-Y177 WeakPolarHBondContact O-CE1 3.39Å; A8-P179 WeakPolarHBondContact O-CD 3.36Å
9D98.5Very high97Very high66 Ų6674.2 Ų74.235%0.35336%0.359SS..THydrogen-bonded Turntrans-105.98.9-174.7-54.7-51.4000112.2K3 Y7 N11 V12 L13K3-D9 VanDerWaalsContact NZ-CG 3.33Å; K3-D9 IonicContact NZ-OD1 3.82Å; K3-D9 PolarHBondContact NZ-OD1 2.97Å; K3-D9 IonicContact NZ-OD2 2.89Å; K3-D9 PolarHBondContact NZ-OD2 3.03Å; Y7-D9 VanDerWaalsContact C-N 3.26Å; Y7-D9 PolarHBondContact O-N 3.41Å; Y7-D9 VanDerWaalsContact O-N 3.13Å; D9-N11 PolarHBondContact O-N 3.37Å; D9-V12 HydrophobicContact CB-CB 4.38Å; D9-V12 WeakPolarHBondContact O-CB 3.17Å; D9-V12 PolarHBondContact O-N 3.35Å; D9-L13 WeakPolarHBondContact O-CG 3.15Å; D9-L13 PolarHBondContact O-N 2.83Å
10V98.5Very high97Very high31 Ų3172.4 Ų72.419%0.18835%0.351CS..Hα-helixtrans-55.7-50.4-177.9169.90000111.3Y7 V12 L13 R14Y7-V10 HydrophobicContact CD1-CG2 4.41Å; Y7-V10 WeakPolarHBondContact O-CB 3.45Å; Y7-V10 VanDerWaalsContact O-CG2 3.31Å; Y7-V10 WeakPolarHBondContact O-CG2 3.48Å; Y7-V10 PolarHBondContact O-N 3.03Å; Y7-V10 VanDerWaalsContact O-N 3.16Å; V10-V12 VanDerWaalsContact C-N 3.28Å; V10-V12 PolarHBondContact O-N 3.36Å; V10-L13 PolarHBondContact O-N 3.3Å; V10-R14 HydrophobicContact CG1-CG 4.4Å; V10-R14 WeakPolarHBondContact O-CG 3.41Å; V10-R14 PolarHBondContact O-N 3.4Å; V10-R14 VanDerWaalsContact O-N 3.15Å
11N98.7Very high97.1Very high2 Ų269.8 Ų69.81%0.01134%0.338CS..Hα-helixtrans-73.5-19.2179.4-70.6-40000113.4D9 Y18 W19 G146 Y177D9-N11 PolarHBondContact O-N 3.37Å; N11-Y18 WeakPolarHBondContact OD1-CD1 3.48Å; N11-Y18 WeakPolarHBondContact OD1-CE1 2.96Å; N11-W19 HydrophobicContact CB-CG 4.33Å; N11-W19 VanDerWaalsContact O-CD1 3.23Å; N11-W19 PolarHBondContact O-NE1 3.26Å; N11-G146 PolarHBondContact ND2-O 3.37Å; N11-Y177 PolarHBondContact ND2-N 3.15Å; N11-Y177 PolarHBondContact ND2-O 2.98Å
12V98.3Very high98Very high91 Ų9164.9 Ų64.955%0.55231%0.312SS*.Hα-helixtrans-70.8-38.3173.3-179.80000110.1D9 V10 P179D9-V12 HydrophobicContact CB-CB 4.38Å; D9-V12 WeakPolarHBondContact O-CB 3.17Å; D9-V12 PolarHBondContact O-N 3.35Å; V10-V12 VanDerWaalsContact C-N 3.28Å; V10-V12 PolarHBondContact O-N 3.36Å; V12-P179 HydrophobicContact CG2-CG 4.09Å
13L98.3Very high98.2Very high150 Ų15067.8 Ų67.879%0.78534%0.337SS*.Hα-helixtrans-83.2-15.3-179.3-62.2172.9000113.4D9 V10D9-L13 WeakPolarHBondContact O-CG 3.15Å; D9-L13 PolarHBondContact O-N 2.83Å; V10-L13 PolarHBondContact O-N 3.3Å
14R98.2Very high98.2Very high101 Ų10164.5 Ų64.538%0.38132%0.324SS..SBendtrans-81.8150.1178-71.4-79.9-167.8179.96.6111.1V10 Y18V10-R14 HydrophobicContact CG1-CG 4.4Å; V10-R14 WeakPolarHBondContact O-CG 3.41Å; V10-R14 PolarHBondContact O-N 3.4Å; V10-R14 VanDerWaalsContact O-N 3.15Å; R14-Y18 HydrophobicContact CB-CD1 3.92Å; R14-Y18 HydrophobicContact CB-CG 3.94Å; R14-Y18 HydrophobicContact CG-CD1 3.85Å; R14-Y18 HydrophobicContact CG-CE1 4.19Å; R14-Y18 HydrophobicContact CG-CG 4.05Å
15P98.2Very high98.1Very high74 Ų7469.5 Ų69.548%0.48135%0.354SS..  trans-52.4148.3167.7-25.234.8000111.8E17 Y18P15-E17 WeakPolarHBondContact CB-OE1 3.4Å; P15-E17 WeakPolarHBondContact CB-OE2 3.48Å; P15-E17 PolarHBondContact O-N 2.87Å; P15-Y18 WeakPolarHBondContact O-CB 3.41Å; P15-Y18 PolarHBondContact O-N 3Å
16K97.9Very high97.9Very high125 Ų12565.4 Ų65.454%0.54334%0.341SS..Hα-helixtrans-58.2-37.9-174.8-176.4177.2179.7-1690111.6Y18 W19 D20K16-Y18 PolarHBondContact O-N 2.84Å; K16-Y18 VanDerWaalsContact O-N 3.09Å; K16-W19 HydrophobicContact CB-CZ2 4.3Å; K16-W19 HydrophobicContact CG-CH2 3.89Å; K16-W19 HydrophobicContact CG-CZ2 3.81Å; K16-W19 PolarHBondContact O-N 3.11Å; K16-D20 VanDerWaalsContact CE-OD2 3.23Å; K16-D20 WeakPolarHBondContact CE-OD2 3.38Å; K16-D20 HydrophobicContact CG-CB 3.94Å; K16-D20 IonicContact NZ-OD2 3.28Å; K16-D20 WeakPolarHBondContact O-CB 3.35Å; K16-D20 PolarHBondContact O-N 3.3Å
17E97.5Very high97.8Very high127 Ų12770.6 Ų70.659%0.59336%0.362SS*.Hα-helixtrans-63.3-14.6179.2-2372.3-116.100113.5P15 K78P15-E17 WeakPolarHBondContact CB-OE1 3.4Å; P15-E17 WeakPolarHBondContact CB-OE2 3.48Å; P15-E17 PolarHBondContact O-N 2.87Å; E17-K78 WeakPolarHBondContact O-CE 3.48Å; E17-K78 PolarHBondContact O-NZ 2.7Å
18Y98.6Very high97.7Very high26 Ų2672 Ų7210%0.10237%0.367CS..Hα-helixtrans-68.9-45.2175.3-176-96.9000112.1N11 R14 P15 K16 K78 N82 Q145 F176N11-Y18 WeakPolarHBondContact OD1-CD1 3.48Å; N11-Y18 WeakPolarHBondContact OD1-CE1 2.96Å; R14-Y18 HydrophobicContact CB-CD1 3.92Å; R14-Y18 HydrophobicContact CB-CG 3.94Å; R14-Y18 HydrophobicContact CG-CD1 3.85Å; R14-Y18 HydrophobicContact CG-CE1 4.19Å; R14-Y18 HydrophobicContact CG-CG 4.05Å; P15-Y18 WeakPolarHBondContact O-CB 3.41Å; P15-Y18 PolarHBondContact O-N 3Å; K16-Y18 PolarHBondContact O-N 2.84Å; K16-Y18 VanDerWaalsContact O-N 3.09Å; Y18-K78 WeakPolarHBondContact O-CE 3.45Å; Y18-N82 HydrophobicContact CE2-CB 4.14Å; Y18-N82 WeakPolarHBondContact CE2-ND2 3.27Å; Y18-N82 PolarHBondContact O-ND2 3.37Å; Y18-Q145 WeakPolarHBondContact OH-CB 3.49Å; Y18-Q145 PolarHBondContact OH-O 3.43Å; Y18-Q145 VanDerWaalsContact OH-O 3.11Å; Y18-Q145 PolarHBondContact OH-OE1 3.33Å; Y18-F176 HydrophobicContact CD1-CE1 4.22Å; Y18-F176 HydrophobicContact CE1-CD1 4.44Å; Y18-F176 AromaticContact CE1-CE1 3.99Å; Y18-F176 HydrophobicContact CE1-CE1 3.99Å
19W98.3Very high97.6Very high71 Ų7172.9 Ų72.927%0.26938%0.377SS..Hα-helixtrans-112.6-16.8-173.554.3-102.6000113.4N11 K16 Y21 F176 H178N11-W19 HydrophobicContact CB-CG 4.33Å; N11-W19 VanDerWaalsContact O-CD1 3.23Å; N11-W19 PolarHBondContact O-NE1 3.26Å; K16-W19 HydrophobicContact CB-CZ2 4.3Å; K16-W19 HydrophobicContact CG-CH2 3.89Å; K16-W19 HydrophobicContact CG-CZ2 3.81Å; K16-W19 PolarHBondContact O-N 3.11Å; W19-Y21 VanDerWaalsContact O-CD1 3.22Å; W19-Y21 WeakPolarHBondContact O-CD1 3.34Å; W19-Y21 PolarHBondContact O-N 2.87Å; W19-F176 HydrophobicContact CB-CB 4.19Å; W19-F176 HydrophobicContact CB-CD1 3.69Å; W19-F176 HydrophobicContact CB-CD2 4.33Å; W19-F176 HydrophobicContact CB-CE1 4.12Å; W19-F176 HydrophobicContact CB-CG 3.81Å; W19-H178 AromaticContact CD2-CE1 3.48Å; W19-H178 VanDerWaalsContact CD2-CE1 3.48Å; W19-H178 AromaticContact CD2-NE2 3.9Å; W19-H178 AromaticContact CE2-CE1 3.87Å; W19-H178 AromaticContact CE3-CE1 3.75Å; W19-H178 AromaticContact CE3-NE2 3.83Å; W19-H178 AromaticContact CG-CE1 3.67Å
20D98.1Very high97.5Very high39 Ų3974.7 Ų74.721%0.20938%0.383CS..  trans-76.671.9175.3-171.63.3000111.2K16 E22 A23K16-D20 VanDerWaalsContact CE-OD2 3.23Å; K16-D20 WeakPolarHBondContact CE-OD2 3.38Å; K16-D20 HydrophobicContact CG-CB 3.94Å; K16-D20 IonicContact NZ-OD2 3.28Å; K16-D20 WeakPolarHBondContact O-CB 3.35Å; K16-D20 PolarHBondContact O-N 3.3Å; D20-E22 PolarHBondContact O-N 3.19Å; D20-E22 PolarHBondContact OD1-N 2.76Å; D20-A23 PolarHBondContact O-N 3.31Å
21Y98.2Very high97.3Very high17 Ų1775.4 Ų75.47%0.06739%0.385CS..G310 helixtrans-66-14.3179.457.3-100.5000113.3W19 A23 L24 K71 K74 R75 E175 F176W19-Y21 VanDerWaalsContact O-CD1 3.22Å; W19-Y21 WeakPolarHBondContact O-CD1 3.34Å; W19-Y21 PolarHBondContact O-N 2.87Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-L24 WeakPolarHBondContact O-CB 3.18Å; Y21-L24 PolarHBondContact O-N 3.47Å; Y21-K71 HydrophobicContact CD2-CG 4.42Å; Y21-K71 HydrophobicContact CE2-CD 4.32Å; Y21-K71 HydrophobicContact CE2-CG 3.66Å; Y21-K71 WeakPolarHBondContact OH-CE 3.32Å; Y21-K74 VanDerWaalsContact O-CB 3.24Å; Y21-K74 WeakPolarHBondContact O-CB 3.22Å; Y21-K74 VanDerWaalsContact O-CD 3.32Å; Y21-K74 WeakPolarHBondContact O-CD 3.13Å; Y21-R75 HydrophobicContact CD1-CB 4.17Å; Y21-R75 HydrophobicContact CD1-CG 3.84Å; Y21-R75 HydrophobicContact CD2-CB 3.63Å; Y21-R75 HydrophobicContact CD2-CG 4.2Å; Y21-R75 HydrophobicContact CE1-CB 4.24Å; Y21-R75 HydrophobicContact CE1-CG 3.73Å; Y21-R75 HydrophobicContact CE2-CB 3.72Å; Y21-R75 HydrophobicContact CE2-CG 4.1Å; Y21-R75 HydrophobicContact CG-CB 3.86Å; Y21-R75 HydrophobicContact CG-CG 4.06Å; Y21-E175 WeakPolarHBondContact CE1-OE1 3.49Å; Y21-E175 PolarHBondContact OH-OE1 3.41Å; Y21-F176 AromaticContact CD1-CD2 3.72Å; Y21-F176 HydrophobicContact CD1-CD2 3.72Å; Y21-F176 AromaticContact CD1-CE2 3.78Å; Y21-F176 HydrophobicContact CD1-CE2 3.78Å; Y21-F176 HydrophobicContact CE1-CD2 4.06Å
22E97Very high97.2Very high100 Ų10081.2 Ų81.247%0.46742%0.416SS..G310 helixtrans-69.7-32.6176.8-63.4-166-14200111.4D20 L24 K71 K74D20-E22 PolarHBondContact O-N 3.19Å; D20-E22 PolarHBondContact OD1-N 2.76Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 2.79Å; E22-K71 HydrophobicContact CG-CD 4.2Å; E22-K71 HydrophobicContact CG-CG 4.16Å; E22-K71 WeakPolarHBondContact OE1-CE 3.41Å; E22-K71 IonicContact OE1-NZ 2.91Å; E22-K71 PolarHBondContact OE1-NZ 2.76Å; E22-K74 PolarHBondContact O-NZ 3.37Å
23A96.8Very high97.1Very high69 Ų6978.9 Ų78.957%0.5740%0.4SS*.G310 helixtrans-77.1-8.4175.400000114.2D20 Y21 T25D20-A23 PolarHBondContact O-N 3.31Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; A23-T25 PolarHBondContact O-N 3.49Å
24L97.4Very high97.1Very high25 Ų2573.1 Ų73.113%0.13137%0.368CS..  trans-58.9126.2-179.2176.267.6000111.7Y21 E22 V26 K74 I77 K78Y21-L24 WeakPolarHBondContact O-CB 3.18Å; Y21-L24 PolarHBondContact O-N 3.47Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 2.79Å; L24-V26 HydrophobicContact CD2-CG2 4.03Å; L24-V26 HydrophobicContact CG-CG2 4.22Å; L24-K74 HydrophobicContact CB-CB 4.47Å; L24-K74 HydrophobicContact CB-CD 4.3Å; L24-K74 HydrophobicContact CD2-CB 4.33Å; L24-K74 WeakPolarHBondContact O-CD 3.48Å; L24-K74 WeakPolarHBondContact O-CE 3.35Å; L24-K74 PolarHBondContact O-NZ 2.71Å; L24-I77 HydrophobicContact CD2-CB 4.04Å; L24-I77 HydrophobicContact CD2-CG2 3.65Å; L24-K78 HydrophobicContact CD1-CD 4.46Å; L24-K78 HydrophobicContact CD2-CB 4.17Å
25T97.1Very high97.1Very high112 Ų11274.4 Ų74.469%0.68738%0.379SS*.  trans-96.8114.8165.5-59.90000108.6A23A23-T25 PolarHBondContact O-N 3.49Å
26V95.6Very high97.1Very high22 Ų2274.7 Ų74.713%0.13338%0.379CS..PPolyproline II helixtrans-81.9123.5-179.2-179.60000109.1L24 W28 I77 I95L24-V26 HydrophobicContact CD2-CG2 4.03Å; L24-V26 HydrophobicContact CG-CG2 4.22Å; V26-W28 HydrophobicContact CB-CZ2 4Å; V26-W28 HydrophobicContact CG1-CD2 3.87Å; V26-W28 HydrophobicContact CG1-CE3 4.03Å; V26-W28 HydrophobicContact CG1-CG 4.47Å; V26-W28 HydrophobicContact CG1-CH2 4.04Å; V26-W28 HydrophobicContact CG1-CZ2 3.85Å; V26-W28 HydrophobicContact CG1-CZ3 4.12Å; V26-W28 PolarHBondContact O-NE1 2.98Å; V26-I77 HydrophobicContact CG1-CD1 4.23Å; V26-I77 HydrophobicContact CG2-CD1 3.85Å; V26-I95 HydrophobicContact CG1-CB 4.35Å; V26-I95 HydrophobicContact CG1-CD1 4.24Å; V26-I95 HydrophobicContact CG1-CG2 3.68Å
27Q95.9Very high97.1Very high156 Ų15672.4 Ų72.473%0.72938%0.375SS*.PPolyproline II helixtrans-81.9122.7164.7-59.3-60.4-20.800107.5
28W96.7Very high97.1Very high97 Ų9772.7 Ų72.737%0.36737%0.371SS..PPolyproline II helixtrans-96.1126.8-177.8-58.895.7000109.3V26 I95 R97 P104V26-W28 HydrophobicContact CB-CZ2 4Å; V26-W28 HydrophobicContact CG1-CD2 3.87Å; V26-W28 HydrophobicContact CG1-CE3 4.03Å; V26-W28 HydrophobicContact CG1-CG 4.47Å; V26-W28 HydrophobicContact CG1-CH2 4.04Å; V26-W28 HydrophobicContact CG1-CZ2 3.85Å; V26-W28 HydrophobicContact CG1-CZ3 4.12Å; V26-W28 PolarHBondContact O-NE1 2.98Å; W28-I95 CarbonylContact C-O 3.56Å; W28-I95 WeakPolarHBondContact CA-O 3.48Å; W28-I95 HydrophobicContact CE3-CG2 3.81Å; W28-I95 HydrophobicContact CH2-CG2 4.47Å; W28-I95 HydrophobicContact CZ3-CG2 3.62Å; W28-R97 HydrophobicContact CD2-CB 3.99Å; W28-R97 HydrophobicContact CE3-CB 3.5Å; W28-R97 VanDerWaalsContact CE3-CB 3.5Å; W28-R97 HydrophobicContact CZ3-CB 3.81Å; W28-P104 HydrophobicContact CH2-CB 3.72Å; W28-P104 HydrophobicContact CZ3-CB 3.62Å
29G97Very high97Very high29 Ų2976.3 Ų76.330%0.29939%0.387SS..BIsolated β-bridgetrans-76.1-176.9169.100000112.6I95G29-I95 PolarHBondContact N-O 2.9Å
30E95.8Very high96.9Very high104 Ų10476 Ų7649%0.48639%0.393SS..  trans-86.7125.1178.3-174.650.8-93.500110.2D32 D33 Y34 V96E30-D32 VanDerWaalsContact C-N 3.33Å; E30-D32 HydrophobicContact CG-CB 4.27Å; E30-D32 PolarHBondContact OE1-N 3.44Å; E30-D33 WeakPolarHBondContact O-CB 3.37Å; E30-Y34 WeakPolarHBondContact O-CE2 3.49Å; E30-V96 WeakPolarHBondContact O-CG1 3.24Å
31Q94.7Very high96.5Very high47 Ų4775.4 Ų75.422%0.2240%0.395CS..G310 helixtrans-72.7-33.7-178.4-177.3175.6-88.100111.3D33 Y34 V96 D98Q31-D33 PolarHBondContact O-N 3.08Å; Q31-D33 VanDerWaalsContact O-N 3.15Å; Q31-Y34 PolarHBondContact O-N 2.81Å; Q31-V96 HydrophobicContact CB-CB 4.13Å; Q31-V96 HydrophobicContact CB-CG2 4.2Å; Q31-V96 HydrophobicContact CG-CG2 4.12Å; Q31-D98 PolarHBondContact NE2-OD2 2.86Å; Q31-D98 VanDerWaalsContact OE1-CB 3.3Å
32D95.6Very high96.2Very high123 Ų12383.7 Ų83.766%0.65843%0.427SS*.G310 helixtrans-69-10.1-177.3-64.6-16.8000112.5E30 Y34E30-D32 VanDerWaalsContact C-N 3.33Å; E30-D32 HydrophobicContact CG-CB 4.27Å; E30-D32 PolarHBondContact OE1-N 3.44Å; D32-Y34 PolarHBondContact O-N 3.01Å
33D97.4Very high95.6Very high43 Ų4380.1 Ų80.123%0.2342%0.417CS..G310 helixtrans-66.4-14169.2-74.5-17.5000112.9E30 Q31 N53 V54 N55E30-D33 WeakPolarHBondContact O-CB 3.37Å; Q31-D33 PolarHBondContact O-N 3.08Å; Q31-D33 VanDerWaalsContact O-N 3.15Å; D33-N53 CarbonylContact O-C 3.6Å; D33-N53 VanDerWaalsContact O-CA 3.3Å; D33-N53 WeakPolarHBondContact O-CA 3.4Å; D33-V54 PolarHBondContact O-N 2.98Å; D33-N55 PolarHBondContact OD1-ND2 2.91Å; D33-N55 PolarHBondContact OD2-ND2 2.91Å
34Y98.3Very high95Very high29 Ų2984.7 Ų84.711%0.11442%0.424CS..EExtended strand (participates in β ladder)trans-128.5114.6-171.7-52.5-78.7000112.7E30 Q31 D32 I52 N53 D94 V96 I107E30-Y34 WeakPolarHBondContact O-CE2 3.49Å; Q31-Y34 PolarHBondContact O-N 2.81Å; D32-Y34 PolarHBondContact O-N 3.01Å; Y34-I52 WeakPolarHBondContact CA-O 3.17Å; Y34-N53 HydrophobicContact CD1-CB 4.02Å; Y34-N53 HydrophobicContact CE1-CB 3.92Å; Y34-D94 HydrophobicContact CE2-CB 4.3Å; Y34-D94 WeakPolarHBondContact CE2-OD2 3.26Å; Y34-D94 WeakPolarHBondContact OH-CB 3.5Å; Y34-D94 PolarHBondContact OH-OD2 3.38Å; Y34-V96 HydrophobicContact CD2-CG1 3.89Å; Y34-V96 HydrophobicContact CE2-CG1 3.57Å; Y34-I107 HydrophobicContact CD1-CD1 4.35Å; Y34-I107 HydrophobicContact CD1-CG1 4.37Å; Y34-I107 HydrophobicContact CD1-CG2 3.89Å; Y34-I107 HydrophobicContact CD2-CD1 4Å; Y34-I107 HydrophobicContact CD2-CG1 4.02Å; Y34-I107 HydrophobicContact CE1-CB 4.42Å; Y34-I107 HydrophobicContact CE1-CG1 4.23Å; Y34-I107 HydrophobicContact CE1-CG2 3.59Å; Y34-I107 HydrophobicContact CE2-CD1 4.38Å; Y34-I107 HydrophobicContact CE2-CG1 3.88Å; Y34-I107 HydrophobicContact CG-CD1 3.98Å; Y34-I107 HydrophobicContact CG-CG1 4.26Å
35E97.7Very high94.7Very high128 Ų12887.7 Ų87.760%0.59843%0.434SS*.EExtended strand (participates in β ladder)trans-96.9134.6176.3-73.2-175.7-178.700111.8G51 I52 V54E35-G51 CarbonylContact O-C 3.59Å; E35-G51 WeakPolarHBondContact O-CA 3.49Å; E35-I52 PolarHBondContact N-O 3.41Å; E35-I52 PolarHBondContact O-N 2.78Å; E35-V54 HydrophobicContact CB-CG1 4.31Å; E35-V54 HydrophobicContact CG-CG1 3.68Å
36V97.7Very high94.6Very high79 Ų7982.6 Ų82.648%0.47940%0.403SS..EExtended strand (participates in β ladder)trans-77.2123.4175.5170.90000110F49 I62V36-F49 HydrophobicContact CG1-CB 3.98Å; V36-F49 HydrophobicContact CG1-CD1 3.58Å; V36-F49 HydrophobicContact CG1-CE1 4.36Å; V36-F49 HydrophobicContact CG1-CG 3.98Å; V36-F49 HydrophobicContact CG2-CB 4.38Å; V36-F49 HydrophobicContact CG2-CG 4.44Å; V36-I62 HydrophobicContact CG2-CD1 3.9Å
37V97.9Very high94.6Very high78 Ų7884.2 Ų84.247%0.47341%0.409SS..EExtended strand (participates in β ladder)trans-91.5-55.7175.1176.90000110.7E50 I52V37-E50 WeakPolarHBondContact CB-O 3.31Å; V37-E50 PolarHBondContact N-O 2.94Å; V37-I52 HydrophobicContact CG2-CD1 3.75Å; V37-I52 HydrophobicContact CG2-CG1 3.79Å
38R97.7Very high94.7Very high133 Ų13378.3 Ų78.350%0.50238%0.384SS..EExtended strand (participates in β ladder)trans-156.9154-178.163.9179.8-177.2115.23.1111.9V40 F49 E50R38-V40 HydrophobicContact CG-CG1 4.26Å; R38-F49 CarbonylContact O-C 3.54Å; R38-F49 VanDerWaalsContact O-CA 3.26Å; R38-F49 WeakPolarHBondContact O-CA 3.39Å; R38-E50 HydrophobicContact CG-CB 4.05Å; R38-E50 IonicContact CZ-OE2 2.87Å; R38-E50 PolarHBondContact N-O 2.98Å; R38-E50 IonicContact NE-OE2 3.2Å; R38-E50 PolarHBondContact NE-OE2 3.47Å; R38-E50 IonicContact NH2-OE2 3.61Å; R38-E50 PolarHBondContact NH2-OE2 3.37Å; R38-E50 PolarHBondContact O-N 3.4Å
39K97Very high94.8Very high102 Ų10275 Ų7544%0.44337%0.372SS..EExtended strand (participates in β ladder)trans-72.8131.1171.4-165.2171.5-168.31620110.1E47 F49K39-E47 IonicContact NZ-OE1 3.8Å; K39-E47 PolarHBondContact NZ-OE1 3.25Å; K39-E47 IonicContact NZ-OE2 3.39Å; K39-F49 HydrophobicContact CB-CD1 3.85Å; K39-F49 HydrophobicContact CB-CE1 3.83Å; K39-F49 HydrophobicContact CD-CE1 4.16Å; K39-F49 HydrophobicContact CG-CD1 4.1Å; K39-F49 HydrophobicContact CG-CE1 3.83Å; K39-F49 HydrophobicContact CG-CZ 4.39Å
40V95Very high94.8Very high65 Ų6574.1 Ų74.139%0.39436%0.36SS..EExtended strand (participates in β ladder)trans-116.8-19.7178.9-62.40000113.1R38 V48 E50 I61R38-V40 HydrophobicContact CG-CG1 4.26Å; V40-V48 HydrophobicContact CG2-CB 4.14Å; V40-V48 HydrophobicContact CG2-CG1 3.73Å; V40-V48 WeakPolarHBondContact CG2-O 3.32Å; V40-V48 PolarHBondContact N-O 3.24Å; V40-E50 HydrophobicContact CG1-CB 3.75Å; V40-I61 HydrophobicContact CG2-CD1 4.25Å
41G90.5Very high94.9Very high25 Ų2569.1 Ų69.126%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-163.5164.5-17900000114.2V48G41-V48 PolarHBondContact N-O 3.38Å; G41-V48 PolarHBondContact O-N 2.68Å
42R91.3Very high95.1Very high191 Ų19169.6 Ų69.672%0.72134%0.34SS*.EExtended strand (participates in β ladder)trans-140.4123.4174.3-170.8-177.6-168.9-151.6-3.2109.6E47R42-E47 IonicContact NE-OE1 2.65Å
43G84.2Confident95.3Very high26 Ų2665 Ų6527%0.26832%0.315SS..  trans-105.4173.1172.800000112.2Y45 S46 K66G43-Y45 PolarHBondContact O-N 3.32Å; G43-S46 CarbonylContact C-O 3.6Å; G43-S46 PolarHBondContact N-O 3.05Å; G43-S46 VanDerWaalsContact O-O 3.06Å; G43-K66 PolarHBondContact O-NZ 2.91Å
44K85.3Confident95.3Very high165 Ų16565.5 Ų65.572%0.71732%0.32SS*.SBendtrans-59.3-37.8171.7-175.8172.9178.7-177.40111.6
45Y90.3Very high95.2Very high87 Ų8769.4 Ų69.434%0.34134%0.343SS..SBendtrans-114.52.3-173-54.3-67.8000114.1G43 K66 V68 K72G43-Y45 PolarHBondContact O-N 3.32Å; Y45-K66 WeakPolarHBondContact O-CB 3.25Å; Y45-K66 PolarHBondContact O-N 3.12Å; Y45-V68 HydrophobicContact CD1-CG1 3.66Å; Y45-V68 HydrophobicContact CG-CG1 4.32Å; Y45-K72 VanDerWaalsContact CD2-NZ 3.34Å
46S94.4Very high95.2Very high5 Ų567 Ų674%0.03534%0.335CS..EExtended strand (participates in β ladder)trans-151.5163-176.659.20000112.7G43 K63 I64G43-S46 CarbonylContact C-O 3.6Å; G43-S46 PolarHBondContact N-O 3.05Å; G43-S46 VanDerWaalsContact O-O 3.06Å; S46-K63 WeakPolarHBondContact OG-CE 3.49Å; S46-I64 CarbonylContact C-O 3.46Å; S46-I64 WeakPolarHBondContact CA-O 3.41Å; S46-I64 WeakPolarHBondContact CB-O 3.28Å
47E96.6Very high95.2Very high56 Ų5669.7 Ų69.726%0.26235%0.346SS..EExtended strand (participates in β ladder)trans-119.4140.6161-56.3-156.911200108.1K39 R42 F49 K63 I64K39-E47 IonicContact NZ-OE1 3.8Å; K39-E47 PolarHBondContact NZ-OE1 3.25Å; K39-E47 IonicContact NZ-OE2 3.39Å; R42-E47 IonicContact NE-OE1 2.65Å; E47-F49 HydrophobicContact CB-CE2 3.59Å; E47-F49 HydrophobicContact CB-CZ 3.96Å; E47-K63 CarbonylContact O-C 3.53Å; E47-I64 PolarHBondContact N-O 3.39Å; E47-I64 PolarHBondContact O-N 2.97Å
48V97.5Very high95.2Very high32 Ų3271.8 Ų71.819%0.19435%0.351CS..EExtended strand (participates in β ladder)trans-123.6130.7-170.1-169.40000109.2V40 G41 I61 I62 K63V40-V48 HydrophobicContact CG2-CB 4.14Å; V40-V48 HydrophobicContact CG2-CG1 3.73Å; V40-V48 WeakPolarHBondContact CG2-O 3.32Å; V40-V48 PolarHBondContact N-O 3.24Å; G41-V48 PolarHBondContact N-O 3.38Å; G41-V48 PolarHBondContact O-N 2.68Å; V48-I61 HydrophobicContact CG1-CG2 3.45Å; V48-I61 VanDerWaalsContact CG1-CG2 3.45Å; V48-I62 WeakPolarHBondContact CA-O 3.31Å; V48-K63 HydrophobicContact CG2-CG 4.32Å
49F98.2Very high95.2Very high28 Ų2870.7 Ų70.712%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-128.3145.5-176.2-55.6-96.5000110.2V36 R38 K39 E47 I61 I62 I64V36-F49 HydrophobicContact CG1-CB 3.98Å; V36-F49 HydrophobicContact CG1-CD1 3.58Å; V36-F49 HydrophobicContact CG1-CE1 4.36Å; V36-F49 HydrophobicContact CG1-CG 3.98Å; V36-F49 HydrophobicContact CG2-CB 4.38Å; V36-F49 HydrophobicContact CG2-CG 4.44Å; R38-F49 CarbonylContact O-C 3.54Å; R38-F49 VanDerWaalsContact O-CA 3.26Å; R38-F49 WeakPolarHBondContact O-CA 3.39Å; K39-F49 HydrophobicContact CB-CD1 3.85Å; K39-F49 HydrophobicContact CB-CE1 3.83Å; K39-F49 HydrophobicContact CD-CE1 4.16Å; K39-F49 HydrophobicContact CG-CD1 4.1Å; K39-F49 HydrophobicContact CG-CE1 3.83Å; K39-F49 HydrophobicContact CG-CZ 4.39Å; E47-F49 HydrophobicContact CB-CE2 3.59Å; E47-F49 HydrophobicContact CB-CZ 3.96Å; F49-I61 CarbonylContact O-C 3.55Å; F49-I61 WeakPolarHBondContact O-CA 3.44Å; F49-I62 HydrophobicContact CB-CB 4.39Å; F49-I62 PolarHBondContact N-O 2.86Å; F49-I62 PolarHBondContact O-N 3.47Å; F49-I64 HydrophobicContact CD2-CD1 3.93Å; F49-I64 HydrophobicContact CD2-CG1 4Å; F49-I64 HydrophobicContact CE2-CB 4.41Å; F49-I64 HydrophobicContact CE2-CD1 3.53Å; F49-I64 HydrophobicContact CE2-CG1 3.85Å; F49-I64 HydrophobicContact CZ-CD1 4.33Å
50E98.3Very high95.3Very high10 Ų1066 Ų665%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-75.9134.1157.6178.3175.9170.100107.1V37 R38 V40 K59 Y110V37-E50 WeakPolarHBondContact CB-O 3.31Å; V37-E50 PolarHBondContact N-O 2.94Å; R38-E50 HydrophobicContact CG-CB 4.05Å; R38-E50 IonicContact CZ-OE2 2.87Å; R38-E50 PolarHBondContact N-O 2.98Å; R38-E50 IonicContact NE-OE2 3.2Å; R38-E50 PolarHBondContact NE-OE2 3.47Å; R38-E50 IonicContact NH2-OE2 3.61Å; R38-E50 PolarHBondContact NH2-OE2 3.37Å; R38-E50 PolarHBondContact O-N 3.4Å; V40-E50 HydrophobicContact CG1-CB 3.75Å; E50-K59 WeakPolarHBondContact OE1-CE 3.42Å; E50-K59 IonicContact OE1-NZ 3.92Å; E50-K59 PolarHBondContact OE1-NZ 3.23Å; E50-Y110 HydrophobicContact CG-CD2 4.34Å; E50-Y110 HydrophobicContact CG-CE2 4.15Å
51G98.4Very high95.5Very high0 Ų064.3 Ų64.30%032%0.318CS..EExtended strand (participates in β ladder)trans-136.9178.117700000112.1E35 K59 C60E35-G51 CarbonylContact O-C 3.59Å; E35-G51 WeakPolarHBondContact O-CA 3.49Å; G51-K59 WeakPolarHBondContact O-CA 3.3Å; G51-C60 VanDerWaalsContact C-SG 3.55Å; G51-C60 PolarHBondContact N-O 3.41Å; G51-C60 PolarHBondContact O-N 2.95Å
52I98.5Very high95.8Very high56 Ų5663.5 Ų63.529%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-126.9135.2175.3-67.7169.6000107.7Y34 E35 V37 E58Y34-I52 WeakPolarHBondContact CA-O 3.17Å; E35-I52 PolarHBondContact N-O 3.41Å; E35-I52 PolarHBondContact O-N 2.78Å; V37-I52 HydrophobicContact CG2-CD1 3.75Å; V37-I52 HydrophobicContact CG2-CG1 3.79Å; I52-E58 WeakPolarHBondContact CA-O 3.48Å
53N98.5Very high96.1Very high26 Ų2655 Ų5514%0.13928%0.276CS..EExtended strand (participates in β ladder)trans-79.5115.3166178.6-24000108.5D33 Y34 N55 N56 N57 E58D33-N53 CarbonylContact O-C 3.6Å; D33-N53 VanDerWaalsContact O-CA 3.3Å; D33-N53 WeakPolarHBondContact O-CA 3.4Å; Y34-N53 HydrophobicContact CD1-CB 4.02Å; Y34-N53 HydrophobicContact CE1-CB 3.92Å; N53-N55 PolarHBondContact O-N 3.28Å; N53-N55 WeakPolarHBondContact OD1-CB 3.44Å; N53-N55 PolarHBondContact OD1-N 2.89Å; N53-N56 VanDerWaalsContact CB-OD1 3.31Å; N53-N56 WeakPolarHBondContact CB-OD1 3.48Å; N53-N56 PolarHBondContact O-N 3.13Å; N53-N56 PolarHBondContact O-OD1 3.16Å; N53-N57 VanDerWaalsContact O-CA 3.25Å; N53-N57 WeakPolarHBondContact O-CA 3.42Å; N53-N57 PolarHBondContact O-N 2.83Å; N53-E58 PolarHBondContact N-O 2.81Å
54V97.7Very high96.8Very high54 Ų5456.1 Ų56.133%0.32728%0.275SS..THydrogen-bonded Turntrans-70.4-19.4-172.6-56.80000113D33 E35D33-V54 PolarHBondContact O-N 2.98Å; E35-V54 HydrophobicContact CB-CG1 4.31Å; E35-V54 HydrophobicContact CG-CG1 3.68Å
55N97.7Very high97.3Very high112 Ų11248.5 Ų48.560%0.59924%0.242SC*.THydrogen-bonded Turntrans-75.7-28.6-179.4-64.6-54.8000112.8D33 N53D33-N55 PolarHBondContact OD1-ND2 2.91Å; D33-N55 PolarHBondContact OD2-ND2 2.91Å; N53-N55 PolarHBondContact O-N 3.28Å; N53-N55 WeakPolarHBondContact OD1-CB 3.44Å; N53-N55 PolarHBondContact OD1-N 2.89Å
56N97.5Very high97.4Very high78 Ų7847 Ų4742%0.41724%0.238SC..THydrogen-bonded Turntrans-132.70.2-17669.31.5000114.6N53 E58N53-N56 VanDerWaalsContact CB-OD1 3.31Å; N53-N56 WeakPolarHBondContact CB-OD1 3.48Å; N53-N56 PolarHBondContact O-N 3.13Å; N53-N56 PolarHBondContact O-OD1 3.16Å; N56-E58 HydrophobicContact CB-CG 4.49Å; N56-E58 PolarHBondContact ND2-OE2 3.49Å; N56-E58 VanDerWaalsContact ND2-OE2 3.08Å; N56-E58 PolarHBondContact O-N 2.93Å; N56-E58 WeakPolarHBondContact OD1-CB 3.24Å; N56-E58 PolarHBondContact OD1-N 2.98Å
57N96.7Very high97.3Very high134 Ų13453.3 Ų53.372%0.71728%0.278SS*.THydrogen-bonded Turntrans58.420.7-175.9-68.6-52.2000115N53N53-N57 VanDerWaalsContact O-CA 3.25Å; N53-N57 WeakPolarHBondContact O-CA 3.42Å; N53-N57 PolarHBondContact O-N 2.83Å
58E97.9Very high97.1Very high122 Ų12252.6 Ų52.657%0.5728%0.278SS*.EExtended strand (participates in β ladder)trans-81.9141.4175.7-68.1-174.1155.400111.6I52 N53 N56I52-E58 WeakPolarHBondContact CA-O 3.48Å; N53-E58 PolarHBondContact N-O 2.81Å; N56-E58 HydrophobicContact CB-CG 4.49Å; N56-E58 PolarHBondContact ND2-OE2 3.49Å; N56-E58 VanDerWaalsContact ND2-OE2 3.08Å; N56-E58 PolarHBondContact O-N 2.93Å; N56-E58 WeakPolarHBondContact OD1-CB 3.24Å; N56-E58 PolarHBondContact OD1-N 2.98Å
59K98.3Very high96.8Very high111 Ų11159.6 Ų59.648%0.48331%0.306SS..EExtended strand (participates in β ladder)trans-68.1139.8172.6-67.7-171174.7-152.30110.9E50 G51 Y110E50-K59 WeakPolarHBondContact OE1-CE 3.42Å; E50-K59 IonicContact OE1-NZ 3.92Å; E50-K59 PolarHBondContact OE1-NZ 3.23Å; G51-K59 WeakPolarHBondContact O-CA 3.3Å; K59-Y110 HydrophobicContact CB-CD1 4.21Å; K59-Y110 HydrophobicContact CB-CD2 4.31Å; K59-Y110 HydrophobicContact CB-CG 3.85Å; K59-Y110 HydrophobicContact CD-CD1 4.21Å; K59-Y110 HydrophobicContact CD-CE1 4.19Å; K59-Y110 HydrophobicContact CD-CG 4.4Å; K59-Y110 WeakPolarHBondContact O-CB 3.44Å
60C98.6Very high96.6Very high3 Ų366.6 Ų66.62%0.0234%0.336CS..EExtended strand (participates in β ladder)trans-136.3171.4174.966.80000111.8G51 I107 F108G51-C60 VanDerWaalsContact C-SG 3.55Å; G51-C60 PolarHBondContact N-O 3.41Å; G51-C60 PolarHBondContact O-N 2.95Å; C60-I107 HydrophobicContact CB-CG2 3.94Å; C60-F108 WeakPolarHBondContact CA-O 3.14Å
61I98.5Very high96.4Very high29 Ų2970.9 Ų70.915%0.14935%0.354CS..EExtended strand (participates in β ladder)trans-111.9124.7169-66.6-65000109.2V40 V48 F49 I107 F108 Y110V40-I61 HydrophobicContact CG2-CD1 4.25Å; V48-I61 HydrophobicContact CG1-CG2 3.45Å; V48-I61 VanDerWaalsContact CG1-CG2 3.45Å; F49-I61 CarbonylContact O-C 3.55Å; F49-I61 WeakPolarHBondContact O-CA 3.44Å; I61-I107 CarbonylContact O-C 3.57Å; I61-I107 WeakPolarHBondContact O-CA 3.27Å; I61-F108 HydrophobicContact CB-CB 4.21Å; I61-F108 HydrophobicContact CG2-CD2 4.45Å; I61-F108 PolarHBondContact N-O 2.86Å; I61-F108 PolarHBondContact O-N 2.9Å; I61-Y110 HydrophobicContact CD1-CD2 3.93Å; I61-Y110 HydrophobicContact CD1-CE2 4.47Å; I61-Y110 HydrophobicContact CG1-CD2 4.29Å
62I98.4Very high96.3Very high8 Ų872.7 Ų72.74%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-102.7108.8177.9-52.1173.8000108V36 V48 F49 I64 I107V36-I62 HydrophobicContact CG2-CD1 3.9Å; V48-I62 WeakPolarHBondContact CA-O 3.31Å; F49-I62 HydrophobicContact CB-CB 4.39Å; F49-I62 PolarHBondContact N-O 2.86Å; F49-I62 PolarHBondContact O-N 3.47Å; I62-I64 HydrophobicContact CG2-CG1 4.05Å; I62-I107 HydrophobicContact CB-CD1 4.33Å; I62-I107 HydrophobicContact CG1-CD1 4.02Å; I62-I107 HydrophobicContact CG2-CD1 4.02Å
63K98Very high96.2Very high13 Ų1371.1 Ų71.16%0.05735%0.354CS..EExtended strand (participates in β ladder)trans-9898173.6-175.2-177.4-174.1178.70109.3S46 E47 V48 L65 E76 S105 L106 F108 D170S46-K63 WeakPolarHBondContact OG-CE 3.49Å; E47-K63 CarbonylContact O-C 3.53Å; V48-K63 HydrophobicContact CG2-CG 4.32Å; K63-L65 HydrophobicContact CD-CD2 4.21Å; K63-L65 HydrophobicContact CG-CD2 4.21Å; K63-L65 PolarHBondContact O-N 3.21Å; K63-E76 IonicContact NZ-OE1 2.92Å; K63-E76 PolarHBondContact NZ-OE1 3.47Å; K63-E76 IonicContact NZ-OE2 2.72Å; K63-S105 WeakPolarHBondContact O-CA 3.15Å; K63-L106 HydrophobicContact CB-CB 4.4Å; K63-L106 PolarHBondContact N-O 3.43Å; K63-L106 PolarHBondContact O-N 2.97Å; K63-F108 HydrophobicContact CB-CD2 4.26Å; K63-F108 HydrophobicContact CB-CE2 3.71Å; K63-F108 HydrophobicContact CD-CE2 3.95Å; K63-F108 HydrophobicContact CD-CZ 4.43Å; K63-F108 HydrophobicContact CG-CE2 4.49Å; K63-D170 IonicContact NZ-OD1 3.47Å; K63-D170 PolarHBondContact NZ-OD1 3.23Å
64I97.4Very high96.2Very high49 Ų4972.7 Ų72.725%0.25136%0.36SS..EExtended strand (participates in β ladder)trans-76.3121.4174.2-51.6-173000108.4S46 E47 F49 I62 T103S46-I64 CarbonylContact C-O 3.46Å; S46-I64 WeakPolarHBondContact CA-O 3.41Å; S46-I64 WeakPolarHBondContact CB-O 3.28Å; E47-I64 PolarHBondContact N-O 3.39Å; E47-I64 PolarHBondContact O-N 2.97Å; F49-I64 HydrophobicContact CD2-CD1 3.93Å; F49-I64 HydrophobicContact CD2-CG1 4Å; F49-I64 HydrophobicContact CE2-CB 4.41Å; F49-I64 HydrophobicContact CE2-CD1 3.53Å; F49-I64 HydrophobicContact CE2-CG1 3.85Å; F49-I64 HydrophobicContact CZ-CD1 4.33Å; I62-I64 HydrophobicContact CG2-CG1 4.05Å; I64-T103 HydrophobicContact CG2-CG2 3.61Å
65L95.7Very high96.2Very high6 Ų671.5 Ų71.53%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-85.6122.6-178.3-59.4175.5000109.9K63 I73 T103 P104 L106K63-L65 HydrophobicContact CD-CD2 4.21Å; K63-L65 HydrophobicContact CG-CD2 4.21Å; K63-L65 PolarHBondContact O-N 3.21Å; L65-I73 HydrophobicContact CD1-CB 4.49Å; L65-I73 HydrophobicContact CD1-CG1 4.15Å; L65-I73 HydrophobicContact CD1-CG2 3.8Å; L65-T103 WeakPolarHBondContact O-CG2 3.4Å; L65-P104 HydrophobicContact CB-CG 4.19Å; L65-P104 WeakPolarHBondContact CB-O 2.98Å; L65-P104 HydrophobicContact CD1-CB 4.4Å; L65-P104 HydrophobicContact CD1-CG 4.18Å; L65-P104 PolarHBondContact N-O 2.95Å; L65-L106 HydrophobicContact CD1-CD1 4.26Å; L65-L106 HydrophobicContact CD1-CD2 4.46Å; L65-L106 HydrophobicContact CD1-CG 4.06Å; L65-L106 HydrophobicContact CD2-CD1 4.44Å; L65-L106 HydrophobicContact CG-CG 4.46Å
66K93.2Very high96.2Very high56 Ų5666.6 Ų66.624%0.24332%0.323CS..PPolyproline II helixtrans-64160.5172.5-68.4176.3-179.2165.90110.1G43 Y45 V68G43-K66 PolarHBondContact O-NZ 2.91Å; Y45-K66 WeakPolarHBondContact O-CB 3.25Å; Y45-K66 PolarHBondContact O-N 3.12Å; K66-V68 PolarHBondContact O-N 3.06Å
67P92.5Very high96.2Very high137 Ų13762.9 Ų62.989%0.8930%0.303SS*.SBendtrans-52108.9176.1-2835.8000112.3
68V91Very high96.3Very high41 Ų4158 Ų5825%0.24828%0.275CS..  trans-138.5163.8177.6-66.50000109.9Y45 K66 K70 I73Y45-V68 HydrophobicContact CD1-CG1 3.66Å; Y45-V68 HydrophobicContact CG-CG1 4.32Å; K66-V68 PolarHBondContact O-N 3.06Å; V68-K70 PolarHBondContact O-N 3.26Å; V68-I73 HydrophobicContact CG2-CD1 3.92Å; V68-I73 HydrophobicContact CG2-CG1 3.62Å
69K92.5Very high96.4Very high179 Ų17952.2 Ų52.278%0.77825%0.248SC*.  trans-56.4131.7178.2-64.1-174.4178.4-174.50110.5K71 K72 I73K69-K71 PolarHBondContact O-N 2.75Å; K69-K71 VanDerWaalsContact O-N 3.1Å; K69-K72 WeakPolarHBondContact O-CB 3.4Å; K69-K72 PolarHBondContact O-N 3.48Å; K69-I73 PolarHBondContact O-N 3.38Å
70K93.3Very high96.4Very high174 Ų17446.9 Ų46.976%0.75723%0.225SC*.Hα-helixtrans-50.1-38.5177.6-68.4-174.5-179.7177.70113V68 K72 I73 K74V68-K70 PolarHBondContact O-N 3.26Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.15Å; K70-I73 PolarHBondContact O-N 3.46Å; K70-I73 VanDerWaalsContact O-N 3.12Å; K70-K74 PolarHBondContact O-N 3Å
71K95.5Very high96.4Very high101 Ų10150.9 Ų50.944%0.43924%0.244SC..Hα-helixtrans-52.5-41174.7-178.8171.2171.2162.30112.8Y21 E22 K69 R75Y21-K71 HydrophobicContact CD2-CG 4.42Å; Y21-K71 HydrophobicContact CE2-CD 4.32Å; Y21-K71 HydrophobicContact CE2-CG 3.66Å; Y21-K71 WeakPolarHBondContact OH-CE 3.32Å; E22-K71 HydrophobicContact CG-CD 4.2Å; E22-K71 HydrophobicContact CG-CG 4.16Å; E22-K71 WeakPolarHBondContact OE1-CE 3.41Å; E22-K71 IonicContact OE1-NZ 2.91Å; E22-K71 PolarHBondContact OE1-NZ 2.76Å; K69-K71 PolarHBondContact O-N 2.75Å; K69-K71 VanDerWaalsContact O-N 3.1Å; K71-R75 WeakPolarHBondContact O-CB 3.42Å; K71-R75 PolarHBondContact O-N 2.86Å
72K95.5Very high96.4Very high38 Ų3850.9 Ų50.917%0.16524%0.244CC..Hα-helixtrans-68.9-40.4178.9-173.8172.5-177.6167.40111.9Y45 K69 K70 R75 E76 G172Y45-K72 VanDerWaalsContact CD2-NZ 3.34Å; K69-K72 WeakPolarHBondContact O-CB 3.4Å; K69-K72 PolarHBondContact O-N 3.48Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.15Å; K72-R75 PolarHBondContact O-N 3Å; K72-E76 PolarHBondContact O-N 2.96Å; K72-E76 VanDerWaalsContact O-N 3.08Å; K72-G172 WeakPolarHBondContact CE-O 3.25Å
73I95.9Very high96.4Very high22 Ų2250.5 Ų50.511%0.11324%0.242CC..Hα-helixtrans-63.9-49.9178.2-57.9169.9000109.7L65 V68 K69 K70 R75 E76 I77 P104L65-I73 HydrophobicContact CD1-CB 4.49Å; L65-I73 HydrophobicContact CD1-CG1 4.15Å; L65-I73 HydrophobicContact CD1-CG2 3.8Å; V68-I73 HydrophobicContact CG2-CD1 3.92Å; V68-I73 HydrophobicContact CG2-CG1 3.62Å; K69-I73 PolarHBondContact O-N 3.38Å; K70-I73 PolarHBondContact O-N 3.46Å; K70-I73 VanDerWaalsContact O-N 3.12Å; I73-R75 VanDerWaalsContact C-N 3.29Å; I73-R75 PolarHBondContact O-N 3.08Å; I73-E76 PolarHBondContact O-N 3.34Å; I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 HydrophobicContact CG2-CG1 4.49Å; I73-I77 WeakPolarHBondContact O-CG1 3.41Å; I73-I77 PolarHBondContact O-N 3.35Å; I73-P104 HydrophobicContact CD1-CG 3.85Å
74K97.9Very high96.4Very high59 Ų5952.9 Ų52.926%0.25726%0.259SS..Hα-helixtrans-59.7-39.3177.4-66.9-169.5179-161.30112.4Y21 E22 L24 K70 K78Y21-K74 VanDerWaalsContact O-CB 3.24Å; Y21-K74 WeakPolarHBondContact O-CB 3.22Å; Y21-K74 VanDerWaalsContact O-CD 3.32Å; Y21-K74 WeakPolarHBondContact O-CD 3.13Å; E22-K74 PolarHBondContact O-NZ 3.37Å; L24-K74 HydrophobicContact CB-CB 4.47Å; L24-K74 HydrophobicContact CB-CD 4.3Å; L24-K74 HydrophobicContact CD2-CB 4.33Å; L24-K74 WeakPolarHBondContact O-CD 3.48Å; L24-K74 WeakPolarHBondContact O-CE 3.35Å; L24-K74 PolarHBondContact O-NZ 2.71Å; K70-K74 PolarHBondContact O-N 3Å; K74-K78 VanDerWaalsContact O-CB 3.27Å; K74-K78 WeakPolarHBondContact O-CB 3.38Å; K74-K78 PolarHBondContact O-N 3.06Å
75R98.3Very high96.4Very high29 Ų2953.7 Ų53.711%0.10928%0.28CS..Hα-helixtrans-60.3-50.3176.1-171.8-179.466.2-169.23.1112Y21 K71 K72 I73 K78 I79 G172 A174 E175Y21-R75 HydrophobicContact CD1-CB 4.17Å; Y21-R75 HydrophobicContact CD1-CG 3.84Å; Y21-R75 HydrophobicContact CD2-CB 3.63Å; Y21-R75 HydrophobicContact CD2-CG 4.2Å; Y21-R75 HydrophobicContact CE1-CB 4.24Å; Y21-R75 HydrophobicContact CE1-CG 3.73Å; Y21-R75 HydrophobicContact CE2-CB 3.72Å; Y21-R75 HydrophobicContact CE2-CG 4.1Å; Y21-R75 HydrophobicContact CG-CB 3.86Å; Y21-R75 HydrophobicContact CG-CG 4.06Å; K71-R75 WeakPolarHBondContact O-CB 3.42Å; K71-R75 PolarHBondContact O-N 2.86Å; K72-R75 PolarHBondContact O-N 3Å; I73-R75 VanDerWaalsContact C-N 3.29Å; I73-R75 PolarHBondContact O-N 3.08Å; R75-K78 PolarHBondContact O-N 3.39Å; R75-I79 HydrophobicContact CG-CD1 3.9Å; R75-I79 WeakPolarHBondContact O-CB 3.42Å; R75-I79 WeakPolarHBondContact O-CG1 3.33Å; R75-I79 PolarHBondContact O-N 2.97Å; R75-G172 PolarHBondContact NH2-O 3.27Å; R75-A174 WeakPolarHBondContact CD-O 3.41Å; R75-A174 PolarHBondContact NE-O 3.06Å; R75-E175 WeakPolarHBondContact CD-OE1 3.43Å; R75-E175 VanDerWaalsContact CD-OE2 3.3Å; R75-E175 WeakPolarHBondContact CD-OE2 3.46Å; R75-E175 IonicContact CZ-OE2 2.63Å; R75-E175 IonicContact NE-OE2 3.55Å; R75-E175 IonicContact NH1-OE2 3.1Å; R75-E175 PolarHBondContact NH1-OE2 3.17Å
76E98.1Very high96.5Very high9 Ų953.8 Ų53.84%0.04228%0.283CS..Hα-helixtrans-61.1-46.5179.4-176.8169.2-178.400111.2K63 K72 I73 I79 L80 L106 G172K63-E76 IonicContact NZ-OE1 2.92Å; K63-E76 PolarHBondContact NZ-OE1 3.47Å; K63-E76 IonicContact NZ-OE2 2.72Å; K72-E76 PolarHBondContact O-N 2.96Å; K72-E76 VanDerWaalsContact O-N 3.08Å; I73-E76 PolarHBondContact O-N 3.34Å; E76-I79 PolarHBondContact O-N 2.86Å; E76-L80 HydrophobicContact CG-CD1 3.86Å; E76-L80 WeakPolarHBondContact O-CB 3.46Å; E76-L80 WeakPolarHBondContact O-CD1 3.4Å; E76-L80 VanDerWaalsContact O-CG 3.29Å; E76-L80 WeakPolarHBondContact O-CG 3.46Å; E76-L80 PolarHBondContact O-N 3.37Å; E76-L106 HydrophobicContact CG-CD1 4.08Å; E76-G172 VanDerWaalsContact CD-CA 3.4Å; E76-G172 VanDerWaalsContact OE2-CA 3.23Å; E76-G172 WeakPolarHBondContact OE2-CA 3.36Å
77I98.4Very high96.8Very high0 Ų053.9 Ų53.90%029%0.289CS..Hα-helixtrans-58.5-51.2175.9-69167.8000111L24 V26 I73 I79 L80 Q81 I95 L106L24-I77 HydrophobicContact CD2-CB 4.04Å; L24-I77 HydrophobicContact CD2-CG2 3.65Å; V26-I77 HydrophobicContact CG1-CD1 4.23Å; V26-I77 HydrophobicContact CG2-CD1 3.85Å; I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 HydrophobicContact CG2-CG1 4.49Å; I73-I77 WeakPolarHBondContact O-CG1 3.41Å; I73-I77 PolarHBondContact O-N 3.35Å; I77-I79 VanDerWaalsContact C-N 3.31Å; I77-I79 PolarHBondContact O-N 3.03Å; I77-L80 PolarHBondContact O-N 2.99Å; I77-Q81 HydrophobicContact CG2-CG 4.23Å; I77-Q81 WeakPolarHBondContact O-CB 3.34Å; I77-Q81 WeakPolarHBondContact O-CG 3.35Å; I77-Q81 PolarHBondContact O-N 2.6Å; I77-I95 HydrophobicContact CB-CD1 4.48Å; I77-I95 HydrophobicContact CD1-CD1 4.29Å; I77-I95 HydrophobicContact CD1-CG2 3.91Å; I77-I95 HydrophobicContact CG1-CD1 4.25Å; I77-I95 HydrophobicContact CG2-CD1 3.44Å; I77-I95 VanDerWaalsContact CG2-CD1 3.44Å; I77-L106 HydrophobicContact CD1-CD2 4.15Å; I77-L106 HydrophobicContact CG1-CD2 3.72Å
78K98.6Very high97.1Very high32 Ų3248.2 Ų48.214%0.13925%0.251CS..Hα-helixtrans-61.6-42-175.8-174.859.1177.4-179.70111.7E17 Y18 L24 K74 R75 Q81 N82 F176E17-K78 WeakPolarHBondContact O-CE 3.48Å; E17-K78 PolarHBondContact O-NZ 2.7Å; Y18-K78 WeakPolarHBondContact O-CE 3.45Å; L24-K78 HydrophobicContact CD1-CD 4.46Å; L24-K78 HydrophobicContact CD2-CB 4.17Å; K74-K78 VanDerWaalsContact O-CB 3.27Å; K74-K78 WeakPolarHBondContact O-CB 3.38Å; K74-K78 PolarHBondContact O-N 3.06Å; R75-K78 PolarHBondContact O-N 3.39Å; K78-Q81 PolarHBondContact O-N 3.1Å; K78-N82 WeakPolarHBondContact CE-OD1 3.45Å; K78-N82 WeakPolarHBondContact O-CB 3.02Å; K78-N82 PolarHBondContact O-N 3.3Å; K78-N82 PolarHBondContact O-OD1 3.35Å; K78-F176 HydrophobicContact CG-CE2 4.31Å; K78-F176 HydrophobicContact CG-CZ 4.04Å
79I98.9Very high97.4Very high0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-62.5-48.7175.9-75.6173.9000110.6R75 E76 I77 Q81 N82 L83 I147 W171 A174 F176R75-I79 HydrophobicContact CG-CD1 3.9Å; R75-I79 WeakPolarHBondContact O-CB 3.42Å; R75-I79 WeakPolarHBondContact O-CG1 3.33Å; R75-I79 PolarHBondContact O-N 2.97Å; E76-I79 PolarHBondContact O-N 2.86Å; I77-I79 VanDerWaalsContact C-N 3.31Å; I77-I79 PolarHBondContact O-N 3.03Å; I79-Q81 VanDerWaalsContact C-N 3.33Å; I79-Q81 PolarHBondContact O-N 3.27Å; I79-N82 PolarHBondContact O-N 2.97Å; I79-L83 HydrophobicContact CG2-CD1 3.74Å; I79-L83 HydrophobicContact CG2-CG 4.39Å; I79-L83 WeakPolarHBondContact O-CB 3.21Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 2.7Å; I79-I147 HydrophobicContact CD1-CG2 4.16Å; I79-I147 HydrophobicContact CG1-CD1 4.25Å; I79-I147 HydrophobicContact CG1-CG1 4.36Å; I79-I147 HydrophobicContact CG1-CG2 4.33Å; I79-I147 HydrophobicContact CG2-CD1 4.23Å; I79-I147 HydrophobicContact CG2-CG2 3.9Å; I79-W171 HydrophobicContact CG2-CB 4.2Å; I79-W171 HydrophobicContact CG2-CD2 4.2Å; I79-W171 HydrophobicContact CG2-CE3 3.65Å; I79-W171 HydrophobicContact CG2-CG 4.45Å; I79-W171 HydrophobicContact CG2-CZ3 4.45Å; I79-A174 HydrophobicContact CD1-CB 3.69Å; I79-A174 HydrophobicContact CG2-CB 4.15Å; I79-F176 HydrophobicContact CD1-CD2 4.34Å; I79-F176 HydrophobicContact CD1-CE2 4.09Å; I79-F176 HydrophobicContact CG1-CD2 4.18Å; I79-F176 HydrophobicContact CG1-CE1 4.43Å; I79-F176 HydrophobicContact CG1-CE2 3.48Å; I79-F176 VanDerWaalsContact CG1-CE2 3.48Å; I79-F176 HydrophobicContact CG1-CZ 3.63Å
80L98.7Very high97.7Very high0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-60.6-41.5178.4-76.3165.2000112.3E76 I77 L83 C84 V90 L92 L106 F108 W171E76-L80 HydrophobicContact CG-CD1 3.86Å; E76-L80 WeakPolarHBondContact O-CB 3.46Å; E76-L80 WeakPolarHBondContact O-CD1 3.4Å; E76-L80 VanDerWaalsContact O-CG 3.29Å; E76-L80 WeakPolarHBondContact O-CG 3.46Å; E76-L80 PolarHBondContact O-N 3.37Å; I77-L80 PolarHBondContact O-N 2.99Å; L80-L83 PolarHBondContact O-N 3.35Å; L80-C84 WeakPolarHBondContact O-CB 3.28Å; L80-C84 PolarHBondContact O-N 2.59Å; L80-V90 HydrophobicContact CD2-CG1 4.12Å; L80-L92 HydrophobicContact CB-CB 4.02Å; L80-L92 HydrophobicContact CB-CD2 3.81Å; L80-L92 HydrophobicContact CD1-CB 4.5Å; L80-L92 HydrophobicContact CD1-CD1 4.34Å; L80-L92 HydrophobicContact CD1-CD2 4.28Å; L80-L106 HydrophobicContact CD1-CD1 4.04Å; L80-F108 HydrophobicContact CD1-CE1 3.64Å; L80-F108 HydrophobicContact CD1-CZ 3.8Å; L80-F108 HydrophobicContact CD2-CE1 3.9Å; L80-F108 HydrophobicContact CG-CE1 4.41Å; L80-W171 HydrophobicContact CD2-CB 4.16Å; L80-W171 VanDerWaalsContact CD2-CD1 3.46Å; L80-W171 HydrophobicContact CD2-CG 3.87Å; L80-W171 HydrophobicContact CG-CB 4.21Å; L80-W171 HydrophobicContact CG-CG 4.41Å
81Q98.2Very high98Very high87 Ų8734.4 Ų34.441%0.40719%0.188SC..Hα-helixtrans-62.2-46.8174.8-74.1177.5-32.300111.6I77 K78 I79 L83 C84 L92I77-Q81 HydrophobicContact CG2-CG 4.23Å; I77-Q81 WeakPolarHBondContact O-CB 3.34Å; I77-Q81 WeakPolarHBondContact O-CG 3.35Å; I77-Q81 PolarHBondContact O-N 2.6Å; K78-Q81 PolarHBondContact O-N 3.1Å; I79-Q81 VanDerWaalsContact C-N 3.33Å; I79-Q81 PolarHBondContact O-N 3.27Å; Q81-L83 VanDerWaalsContact C-N 3.27Å; Q81-L83 PolarHBondContact O-N 3.34Å; Q81-C84 PolarHBondContact O-N 3.18Å; Q81-L92 HydrophobicContact CG-CD2 4.33Å
82N98.6Very high98.1Very high28 Ų2830.6 Ų30.615%0.1517%0.172CC..Hα-helixtrans-66.2-29179.9-723.2000112.8Y18 K78 I79 I147 F176Y18-N82 HydrophobicContact CE2-CB 4.14Å; Y18-N82 WeakPolarHBondContact CE2-ND2 3.27Å; Y18-N82 PolarHBondContact O-ND2 3.37Å; K78-N82 WeakPolarHBondContact CE-OD1 3.45Å; K78-N82 WeakPolarHBondContact O-CB 3.02Å; K78-N82 PolarHBondContact O-N 3.3Å; K78-N82 PolarHBondContact O-OD1 3.35Å; I79-N82 PolarHBondContact O-N 2.97Å; N82-I147 HydrophobicContact CB-CD1 4.38Å; N82-F176 WeakPolarHBondContact ND2-CE1 3.13Å
83L98.8Very high98.2Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-95.2-8.7-178.3-63.3178.9000113.9I79 L80 Q81 G85 G86 I89 Y141 C142 Q145 I147 W171I79-L83 HydrophobicContact CG2-CD1 3.74Å; I79-L83 HydrophobicContact CG2-CG 4.39Å; I79-L83 WeakPolarHBondContact O-CB 3.21Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 2.7Å; L80-L83 PolarHBondContact O-N 3.35Å; Q81-L83 VanDerWaalsContact C-N 3.27Å; Q81-L83 PolarHBondContact O-N 3.34Å; L83-G85 PolarHBondContact O-N 3.45Å; L83-G86 PolarHBondContact O-N 3.08Å; L83-I89 HydrophobicContact CB-CG1 4.49Å; L83-I89 HydrophobicContact CB-CG2 3.88Å; L83-Y141 HydrophobicContact CB-CE1 4.35Å; L83-Y141 HydrophobicContact CD2-CD1 4.12Å; L83-Y141 HydrophobicContact CD2-CE1 3.88Å; L83-C142 HydrophobicContact CD1-CB 3.87Å; L83-C142 HydrophobicContact CD2-CB 3.84Å; L83-Q145 HydrophobicContact CD2-CB 3.68Å; L83-Q145 HydrophobicContact CD2-CG 3.86Å; L83-I147 HydrophobicContact CD1-CD1 4.12Å; L83-I147 HydrophobicContact CD1-CG2 4.32Å; L83-I147 HydrophobicContact CD2-CD1 3.74Å; L83-I147 HydrophobicContact CG-CD1 3.78Å; L83-W171 HydrophobicContact CD1-CD2 4.03Å; L83-W171 HydrophobicContact CD1-CE3 3.51Å; L83-W171 HydrophobicContact CD1-CH2 3.44Å; L83-W171 VanDerWaalsContact CD1-CH2 3.44Å; L83-W171 HydrophobicContact CD1-CZ2 3.95Å; L83-W171 HydrophobicContact CD1-CZ3 3.19Å
84C97.7Very high98.3Very high63 Ų6334 Ų3443%0.42619%0.193SC..THydrogen-bonded Turntrans-57.2136.5-179-167.20000110.9L80 Q81 G86L80-C84 WeakPolarHBondContact O-CB 3.28Å; L80-C84 PolarHBondContact O-N 2.59Å; Q81-C84 PolarHBondContact O-N 3.18Å; C84-G86 VanDerWaalsContact C-N 3.28Å; C84-G86 PolarHBondContact O-N 2.6Å
85G96.9Very high98.3Very high66 Ų6631.7 Ų31.768%0.6818%0.183SC*.THydrogen-bonded Turntrans85.3-9-173.300000114.8L83L83-G85 PolarHBondContact O-N 3.45Å
86G98.5Very high98.3Very high9 Ų930.4 Ų30.49%0.09318%0.178CC..SBendtrans-64.9151.1174.100000114.1L83 C84 N88 I89 Y141L83-G86 PolarHBondContact O-N 3.08Å; C84-G86 VanDerWaalsContact C-N 3.28Å; C84-G86 PolarHBondContact O-N 2.6Å; G86-N88 PolarHBondContact O-N 2.83Å; G86-I89 PolarHBondContact O-N 3.06Å; G86-Y141 VanDerWaalsContact CA-CZ 3.45Å
87P98.5Very high98.2Very high57 Ų5734.3 Ų34.337%0.3719%0.192SC..THydrogen-bonded Turntrans-59.5125.517726.9-35.4000110.7I89 K137 A138 Y141P87-I89 PolarHBondContact O-N 2.96Å; P87-K137 HydrophobicContact CB-CB 4.27Å; P87-K137 HydrophobicContact CG-CB 4.42Å; P87-A138 WeakPolarHBondContact O-CA 3.4Å; P87-Y141 HydrophobicContact CG-CD2 4.33Å; P87-Y141 HydrophobicContact CG-CG 4.09Å
88N98.7Very high98Very high18 Ų1836.5 Ų36.510%0.09620%0.204CC..THydrogen-bonded Turntrans57.819.7175.7-56.7-32.9000115G86 E134 A138 L166 R167 L168G86-N88 PolarHBondContact O-N 2.83Å; N88-E134 PolarHBondContact ND2-O 3.49Å; N88-E134 PolarHBondContact ND2-OE2 3.2Å; N88-A138 HydrophobicContact CB-CB 4.09Å; N88-L166 HydrophobicContact CB-CD2 4.12Å; N88-L166 WeakPolarHBondContact CB-O 3.14Å; N88-L166 PolarHBondContact OD1-O 3.04Å; N88-R167 CarbonylContact O-C 3.26Å; N88-R167 WeakPolarHBondContact O-CA 3.45Å; N88-L168 PolarHBondContact O-N 3.33Å
89I98.8Very high97.6Very high2 Ų242.6 Ų42.61%0.0123%0.233CC..BIsolated β-bridgetrans-88.2134.3168.7-50.8-62.2000108.5L83 G86 P87 K91 A138 Y141 R167 W171L83-I89 HydrophobicContact CB-CG1 4.49Å; L83-I89 HydrophobicContact CB-CG2 3.88Å; G86-I89 PolarHBondContact O-N 3.06Å; P87-I89 PolarHBondContact O-N 2.96Å; I89-K91 PolarHBondContact O-N 3.35Å; I89-A138 HydrophobicContact CD1-CB 3.9Å; I89-Y141 HydrophobicContact CD1-CD1 4.28Å; I89-Y141 HydrophobicContact CG1-CD1 3.88Å; I89-Y141 HydrophobicContact CG1-CE1 4.29Å; I89-R167 WeakPolarHBondContact O-CD 3.16Å; I89-W171 HydrophobicContact CD1-CH2 3.81Å; I89-W171 HydrophobicContact CD1-CZ2 3.5Å; I89-W171 VanDerWaalsContact CD1-CZ2 3.5Å; I89-W171 HydrophobicContact CG2-CZ2 3.98Å
90V98.5Very high97.3Very high6 Ų651.1 Ų51.14%0.03627%0.273CS..PPolyproline II helixtrans-60.3130.9172.968.50000111.2L80 L92 F108 E109 L168 I169L80-V90 HydrophobicContact CD2-CG1 4.12Å; V90-L92 PolarHBondContact O-N 3.38Å; V90-F108 HydrophobicContact CG1-CD1 4.07Å; V90-F108 HydrophobicContact CG1-CE1 4.21Å; V90-F108 HydrophobicContact CG2-CB 4.01Å; V90-F108 HydrophobicContact CG2-CD1 3.87Å; V90-F108 HydrophobicContact CG2-CG 4.25Å; V90-E109 HydrophobicContact CG2-CG 4.19Å; V90-L168 PolarHBondContact N-O 3.25Å; V90-I169 HydrophobicContact CB-CG2 3.91Å; V90-I169 HydrophobicContact CG1-CB 4.44Å; V90-I169 HydrophobicContact CG1-CG2 4.22Å; V90-I169 HydrophobicContact CG2-CG2 4.1Å
91K98.4Very high97Very high96 Ų9654.2 Ų54.242%0.41729%0.294SS..PPolyproline II helixtrans-77.4121.7176.7-65.6174.1-175.7-175.30110.5I89 L93 F108 E109I89-K91 PolarHBondContact O-N 3.35Å; K91-L93 HydrophobicContact CB-CD2 4.2Å; K91-F108 VanDerWaalsContact O-CA 3.26Å; K91-F108 WeakPolarHBondContact O-CA 3.49Å; K91-F108 WeakPolarHBondContact O-CD1 3.47Å; K91-E109 HydrophobicContact CB-CB 4.26Å; K91-E109 HydrophobicContact CB-CG 4.19Å; K91-E109 WeakPolarHBondContact CB-OE1 3.38Å; K91-E109 VanDerWaalsContact CG-OE1 3.32Å; K91-E109 WeakPolarHBondContact CG-OE1 3.49Å; K91-E109 PolarHBondContact N-OE1 2.97Å; K91-E109 PolarHBondContact O-N 3.11Å; K91-E109 VanDerWaalsContact O-N 3.12Å
92L98.5Very high96.8Very high21 Ų2155.2 Ų55.211%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-77.5114.8161.5178.770000107.6L80 Q81 V90 D94 I95 L106 F108L80-L92 HydrophobicContact CB-CB 4.02Å; L80-L92 HydrophobicContact CB-CD2 3.81Å; L80-L92 HydrophobicContact CD1-CB 4.5Å; L80-L92 HydrophobicContact CD1-CD1 4.34Å; L80-L92 HydrophobicContact CD1-CD2 4.28Å; Q81-L92 HydrophobicContact CG-CD2 4.33Å; V90-L92 PolarHBondContact O-N 3.38Å; L92-D94 WeakPolarHBondContact CD1-O 3.26Å; L92-I95 HydrophobicContact CD1-CG1 4.31Å; L92-I95 HydrophobicContact CD2-CD1 4.07Å; L92-I95 HydrophobicContact CD2-CG1 3.94Å; L92-I95 HydrophobicContact CG-CG1 4.38Å; L92-L106 HydrophobicContact CD1-CB 3.89Å; L92-L106 HydrophobicContact CD1-CD2 4.25Å; L92-F108 HydrophobicContact CB-CD1 4.39Å; L92-F108 HydrophobicContact CB-CE1 4.26Å; L92-F108 HydrophobicContact CD1-CD1 4.31Å; L92-F108 HydrophobicContact CD1-CE1 3.91Å; L92-F108 HydrophobicContact CD1-CZ 4.17Å
93L98Very high96.6Very high96 Ų9656 Ų5650%0.50330%0.303SS..EExtended strand (participates in β ladder)trans-87.7-42.1-178.6-58.9-179.2000111.3K91 I107K91-L93 HydrophobicContact CB-CD2 4.2Å; L93-I107 HydrophobicContact CB-CG2 4.31Å; L93-I107 PolarHBondContact N-O 2.86Å
94D98.2Very high96.6Very high37 Ų3756.8 Ų56.820%0.19831%0.308CS..EExtended strand (participates in β ladder)trans-157.7165.4-175.5-157.8-3000111.8Y34 L92 I107Y34-D94 HydrophobicContact CE2-CB 4.3Å; Y34-D94 WeakPolarHBondContact CE2-OD2 3.26Å; Y34-D94 WeakPolarHBondContact OH-CB 3.5Å; Y34-D94 PolarHBondContact OH-OD2 3.38Å; L92-D94 WeakPolarHBondContact CD1-O 3.26Å; D94-I107 HydrophobicContact CB-CB 3.95Å; D94-I107 HydrophobicContact CB-CG1 3.96Å; D94-I107 PolarHBondContact N-O 2.94Å; D94-I107 PolarHBondContact O-N 2.85Å
95I98.2Very high96.6Very high9 Ų954 Ų545%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-133.3106.2179.4-52.9160.6000107.7V26 W28 G29 I77 L92 L106V26-I95 HydrophobicContact CG1-CB 4.35Å; V26-I95 HydrophobicContact CG1-CD1 4.24Å; V26-I95 HydrophobicContact CG1-CG2 3.68Å; W28-I95 CarbonylContact C-O 3.56Å; W28-I95 WeakPolarHBondContact CA-O 3.48Å; W28-I95 HydrophobicContact CE3-CG2 3.81Å; W28-I95 HydrophobicContact CH2-CG2 4.47Å; W28-I95 HydrophobicContact CZ3-CG2 3.62Å; G29-I95 PolarHBondContact N-O 2.9Å; I77-I95 HydrophobicContact CB-CD1 4.48Å; I77-I95 HydrophobicContact CD1-CD1 4.29Å; I77-I95 HydrophobicContact CD1-CG2 3.91Å; I77-I95 HydrophobicContact CG1-CD1 4.25Å; I77-I95 HydrophobicContact CG2-CD1 3.44Å; I77-I95 VanDerWaalsContact CG2-CD1 3.44Å; L92-I95 HydrophobicContact CD1-CG1 4.31Å; L92-I95 HydrophobicContact CD2-CD1 4.07Å; L92-I95 HydrophobicContact CD2-CG1 3.94Å; L92-I95 HydrophobicContact CG-CG1 4.38Å; I95-L106 HydrophobicContact CG1-CD2 4.2Å; I95-L106 HydrophobicContact CG2-CD2 3.96Å
96V98Very high96.6Very high2 Ų250.9 Ų50.91%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-114.9167.1-175.2-54.90000111.2E30 Q31 Y34 P104 S105 I107E30-V96 WeakPolarHBondContact O-CG1 3.24Å; Q31-V96 HydrophobicContact CB-CB 4.13Å; Q31-V96 HydrophobicContact CB-CG2 4.2Å; Q31-V96 HydrophobicContact CG-CG2 4.12Å; Y34-V96 HydrophobicContact CD2-CG1 3.89Å; Y34-V96 HydrophobicContact CE2-CG1 3.57Å; V96-P104 WeakPolarHBondContact O-CA 3.41Å; V96-S105 PolarHBondContact N-O 2.9Å; V96-S105 PolarHBondContact O-N 2.88Å; V96-I107 HydrophobicContact CG1-CG1 4.24Å; V96-I107 HydrophobicContact CG2-CD1 3.95Å; V96-I107 HydrophobicContact CG2-CG1 4.25Å
97R95.9Very high96.7Very high91 Ų9150.5 Ų50.534%0.34325%0.253SS..EExtended strand (participates in β ladder)trans-150.4132.4178.2-177.9-176.467-178-5.9111.2W28 Q99 K102 T103W28-R97 HydrophobicContact CD2-CB 3.99Å; W28-R97 HydrophobicContact CE3-CB 3.5Å; W28-R97 VanDerWaalsContact CE3-CB 3.5Å; W28-R97 HydrophobicContact CZ3-CB 3.81Å; R97-Q99 PolarHBondContact O-N 3.18Å; R97-K102 WeakPolarHBondContact CD-O 3.47Å; R97-K102 VanDerWaalsContact CG-C 3.41Å; R97-K102 HydrophobicContact CG-CB 4.44Å; R97-K102 WeakPolarHBondContact CG-O 3.39Å; R97-T103 WeakPolarHBondContact CA-O 3.29Å
98D93.8Very high96.7Very high46 Ų4648.4 Ų48.425%0.24624%0.238CC..  trans-59.1130.2176.9-179.3-112.9000111.2Q31 H100 S101 K102 T103Q31-D98 PolarHBondContact NE2-OD2 2.86Å; Q31-D98 VanDerWaalsContact OE1-CB 3.3Å; D98-H100 VanDerWaalsContact C-N 3.3Å; D98-H100 PolarHBondContact O-N 2.86Å; D98-H100 PolarHBondContact OD1-N 3.45Å; D98-S101 WeakPolarHBondContact CB-OG 3.46Å; D98-S101 VanDerWaalsContact CG-OG 3.3Å; D98-S101 WeakPolarHBondContact OD1-CA 3.25Å; D98-S101 WeakPolarHBondContact OD1-CB 3.42Å; D98-S101 PolarHBondContact OD1-N 3.24Å; D98-S101 PolarHBondContact OD1-OG 3.4Å; D98-K102 WeakPolarHBondContact O-CA 3.42Å; D98-K102 PolarHBondContact O-N 2.93Å; D98-T103 PolarHBondContact N-O 3.38Å
99Q90.7Very high96.6Very high160 Ų16049.2 Ų49.275%0.74824%0.241SC*.THydrogen-bonded Turntrans-68.8-31.1-171.9-160.8175.822.800112R97 K102R97-Q99 PolarHBondContact O-N 3.18Å; Q99-K102 WeakPolarHBondContact O-CD 3.19Å; Q99-K102 WeakPolarHBondContact O-CE 3.29Å; Q99-K102 PolarHBondContact O-NZ 3.27Å
100H91.3Very high96.6Very high180 Ų18052.2 Ų52.283%0.83325%0.253SS*.THydrogen-bonded Turntrans-87.3-62-178.1-170.177.8000112.2D98 K102D98-H100 VanDerWaalsContact C-N 3.3Å; D98-H100 PolarHBondContact O-N 2.86Å; D98-H100 PolarHBondContact OD1-N 3.45Å; H100-K102 VanDerWaalsContact C-N 3.28Å; H100-K102 PolarHBondContact O-N 3.31Å
101S93.3Very high96.5Very high64 Ų6453.1 Ų53.145%0.44826%0.258SS..THydrogen-bonded Turntrans-74.6-15.6-17770.10000113.7D98 T103D98-S101 WeakPolarHBondContact CB-OG 3.46Å; D98-S101 VanDerWaalsContact CG-OG 3.3Å; D98-S101 WeakPolarHBondContact OD1-CA 3.25Å; D98-S101 WeakPolarHBondContact OD1-CB 3.42Å; D98-S101 PolarHBondContact OD1-N 3.24Å; D98-S101 PolarHBondContact OD1-OG 3.4Å; S101-T103 WeakPolarHBondContact CB-OG1 3.47Å; S101-T103 PolarHBondContact O-N 2.98Å; S101-T103 WeakPolarHBondContact OG-CB 3.44Å; S101-T103 PolarHBondContact OG-N 3.28Å; S101-T103 PolarHBondContact OG-OG1 3.12Å
102K93.9Very high96.3Very high108 Ų10852.1 Ų52.147%0.4726%0.258SS..  trans58.521.9-173.2-52.6-55.7-174.3-168.20113.3R97 D98 Q99 H100 P104R97-K102 WeakPolarHBondContact CD-O 3.47Å; R97-K102 VanDerWaalsContact CG-C 3.41Å; R97-K102 HydrophobicContact CG-CB 4.44Å; R97-K102 WeakPolarHBondContact CG-O 3.39Å; D98-K102 WeakPolarHBondContact O-CA 3.42Å; D98-K102 PolarHBondContact O-N 2.93Å; Q99-K102 WeakPolarHBondContact O-CD 3.19Å; Q99-K102 WeakPolarHBondContact O-CE 3.29Å; Q99-K102 PolarHBondContact O-NZ 3.27Å; H100-K102 VanDerWaalsContact C-N 3.28Å; H100-K102 PolarHBondContact O-N 3.31Å; K102-P104 WeakPolarHBondContact O-CD 3.32Å
103T95Very high96.2Very high46 Ų4653.8 Ų53.828%0.28227%0.266SS..  trans-72.6121.7178-55.80000109.7I64 L65 R97 D98 S101I64-T103 HydrophobicContact CG2-CG2 3.61Å; L65-T103 WeakPolarHBondContact O-CG2 3.4Å; R97-T103 WeakPolarHBondContact CA-O 3.29Å; D98-T103 PolarHBondContact N-O 3.38Å; S101-T103 WeakPolarHBondContact CB-OG1 3.47Å; S101-T103 PolarHBondContact O-N 2.98Å; S101-T103 WeakPolarHBondContact OG-CB 3.44Å; S101-T103 PolarHBondContact OG-N 3.28Å; S101-T103 PolarHBondContact OG-OG1 3.12Å
104P97.1Very high96Very high16 Ų1651.8 Ų51.810%0.10426%0.259CS..EExtended strand (participates in β ladder)trans-82.7143.8-179.828.6-25.3000111.7W28 L65 I73 V96 K102W28-P104 HydrophobicContact CH2-CB 3.72Å; W28-P104 HydrophobicContact CZ3-CB 3.62Å; L65-P104 HydrophobicContact CB-CG 4.19Å; L65-P104 WeakPolarHBondContact CB-O 2.98Å; L65-P104 HydrophobicContact CD1-CB 4.4Å; L65-P104 HydrophobicContact CD1-CG 4.18Å; L65-P104 PolarHBondContact N-O 2.95Å; I73-P104 HydrophobicContact CD1-CG 3.85Å; V96-P104 WeakPolarHBondContact O-CA 3.41Å; K102-P104 WeakPolarHBondContact O-CD 3.32Å
105S97.9Very high95.8Very high5 Ų553.7 Ų53.74%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-128.2140.1175.4-60.90000110K63 V96K63-S105 WeakPolarHBondContact O-CA 3.15Å; V96-S105 PolarHBondContact N-O 2.9Å; V96-S105 PolarHBondContact O-N 2.88Å
106L98.4Very high95.7Very high0 Ų053.7 Ų53.70%027%0.268CS..EExtended strand (participates in β ladder)trans-104129173.6-56.2-178000108.5K63 L65 E76 I77 L80 L92 I95 F108K63-L106 HydrophobicContact CB-CB 4.4Å; K63-L106 PolarHBondContact N-O 3.43Å; K63-L106 PolarHBondContact O-N 2.97Å; L65-L106 HydrophobicContact CD1-CD1 4.26Å; L65-L106 HydrophobicContact CD1-CD2 4.46Å; L65-L106 HydrophobicContact CD1-CG 4.06Å; L65-L106 HydrophobicContact CD2-CD1 4.44Å; L65-L106 HydrophobicContact CG-CG 4.46Å; E76-L106 HydrophobicContact CG-CD1 4.08Å; I77-L106 HydrophobicContact CD1-CD2 4.15Å; I77-L106 HydrophobicContact CG1-CD2 3.72Å; L80-L106 HydrophobicContact CD1-CD1 4.04Å; L92-L106 HydrophobicContact CD1-CB 3.89Å; L92-L106 HydrophobicContact CD1-CD2 4.25Å; I95-L106 HydrophobicContact CG1-CD2 4.2Å; I95-L106 HydrophobicContact CG2-CD2 3.96Å; L106-F108 HydrophobicContact CB-CD2 4.31Å; L106-F108 HydrophobicContact CB-CE2 3.41Å; L106-F108 VanDerWaalsContact CB-CE2 3.41Å; L106-F108 HydrophobicContact CB-CZ 3.6Å; L106-F108 HydrophobicContact CD1-CE2 4.4Å; L106-F108 HydrophobicContact CD1-CZ 3.91Å; L106-F108 HydrophobicContact CG-CZ 4.42Å
107I98.6Very high95.6Very high0 Ų059.7 Ų59.70%029%0.294CS..EExtended strand (participates in β ladder)trans-101.6127.6-179.2-48.1-57.6000108.9Y34 C60 I61 I62 L93 D94 V96Y34-I107 HydrophobicContact CD1-CD1 4.35Å; Y34-I107 HydrophobicContact CD1-CG1 4.37Å; Y34-I107 HydrophobicContact CD1-CG2 3.89Å; Y34-I107 HydrophobicContact CD2-CD1 4Å; Y34-I107 HydrophobicContact CD2-CG1 4.02Å; Y34-I107 HydrophobicContact CE1-CB 4.42Å; Y34-I107 HydrophobicContact CE1-CG1 4.23Å; Y34-I107 HydrophobicContact CE1-CG2 3.59Å; Y34-I107 HydrophobicContact CE2-CD1 4.38Å; Y34-I107 HydrophobicContact CE2-CG1 3.88Å; Y34-I107 HydrophobicContact CG-CD1 3.98Å; Y34-I107 HydrophobicContact CG-CG1 4.26Å; C60-I107 HydrophobicContact CB-CG2 3.94Å; I61-I107 CarbonylContact O-C 3.57Å; I61-I107 WeakPolarHBondContact O-CA 3.27Å; I62-I107 HydrophobicContact CB-CD1 4.33Å; I62-I107 HydrophobicContact CG1-CD1 4.02Å; I62-I107 HydrophobicContact CG2-CD1 4.02Å; L93-I107 HydrophobicContact CB-CG2 4.31Å; L93-I107 PolarHBondContact N-O 2.86Å; D94-I107 HydrophobicContact CB-CB 3.95Å; D94-I107 HydrophobicContact CB-CG1 3.96Å; D94-I107 PolarHBondContact N-O 2.94Å; D94-I107 PolarHBondContact O-N 2.85Å; V96-I107 HydrophobicContact CG1-CG1 4.24Å; V96-I107 HydrophobicContact CG2-CD1 3.95Å; V96-I107 HydrophobicContact CG2-CG1 4.25Å
108F98.6Very high95.6Very high14 Ų1460.1 Ų60.16%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-124.1161.6-177.4-58.6-87.2000112.5C60 I61 K63 L80 V90 K91 L92 L106C60-F108 WeakPolarHBondContact CA-O 3.14Å; I61-F108 HydrophobicContact CB-CB 4.21Å; I61-F108 HydrophobicContact CG2-CD2 4.45Å; I61-F108 PolarHBondContact N-O 2.86Å; I61-F108 PolarHBondContact O-N 2.9Å; K63-F108 HydrophobicContact CB-CD2 4.26Å; K63-F108 HydrophobicContact CB-CE2 3.71Å; K63-F108 HydrophobicContact CD-CE2 3.95Å; K63-F108 HydrophobicContact CD-CZ 4.43Å; K63-F108 HydrophobicContact CG-CE2 4.49Å; L80-F108 HydrophobicContact CD1-CE1 3.64Å; L80-F108 HydrophobicContact CD1-CZ 3.8Å; L80-F108 HydrophobicContact CD2-CE1 3.9Å; L80-F108 HydrophobicContact CG-CE1 4.41Å; V90-F108 HydrophobicContact CG1-CD1 4.07Å; V90-F108 HydrophobicContact CG1-CE1 4.21Å; V90-F108 HydrophobicContact CG2-CB 4.01Å; V90-F108 HydrophobicContact CG2-CD1 3.87Å; V90-F108 HydrophobicContact CG2-CG 4.25Å; K91-F108 VanDerWaalsContact O-CA 3.26Å; K91-F108 WeakPolarHBondContact O-CA 3.49Å; K91-F108 WeakPolarHBondContact O-CD1 3.47Å; L92-F108 HydrophobicContact CB-CD1 4.39Å; L92-F108 HydrophobicContact CB-CE1 4.26Å; L92-F108 HydrophobicContact CD1-CD1 4.31Å; L92-F108 HydrophobicContact CD1-CE1 3.91Å; L92-F108 HydrophobicContact CD1-CZ 4.17Å; L106-F108 HydrophobicContact CB-CD2 4.31Å; L106-F108 HydrophobicContact CB-CE2 3.41Å; L106-F108 VanDerWaalsContact CB-CE2 3.41Å; L106-F108 HydrophobicContact CB-CZ 3.6Å; L106-F108 HydrophobicContact CD1-CE2 4.4Å; L106-F108 HydrophobicContact CD1-CZ 3.91Å; L106-F108 HydrophobicContact CG-CZ 4.42Å
109E97.8Very high95.8Very high34 Ų3458.1 Ų58.116%0.15930%0.296CS..EExtended strand (participates in β ladder)trans-55.5139.616673.8-174.5128.600110.5V90 K91 V111 R167V90-E109 HydrophobicContact CG2-CG 4.19Å; K91-E109 HydrophobicContact CB-CB 4.26Å; K91-E109 HydrophobicContact CB-CG 4.19Å; K91-E109 WeakPolarHBondContact CB-OE1 3.38Å; K91-E109 VanDerWaalsContact CG-OE1 3.32Å; K91-E109 WeakPolarHBondContact CG-OE1 3.49Å; K91-E109 PolarHBondContact N-OE1 2.97Å; K91-E109 PolarHBondContact O-N 3.11Å; K91-E109 VanDerWaalsContact O-N 3.12Å; E109-V111 HydrophobicContact CG-CG2 4.32Å; E109-R167 IonicContact OE1-CZ 2.96Å; E109-R167 IonicContact OE1-NE 3.83Å; E109-R167 PolarHBondContact OE1-NE 2.94Å; E109-R167 IonicContact OE1-NH2 3.81Å; E109-R167 IonicContact OE2-CZ 3.75Å; E109-R167 IonicContact OE2-NE 3.11Å; E109-R167 PolarHBondContact OE2-NE 3.48Å; E109-R167 IonicContact OE2-NH2 3.7Å; E109-R167 PolarHBondContact OE2-NH2 3.27Å; E109-R167 VanDerWaalsContact OE2-NH2 3.11Å
110Y98.1Very high96.1Very high65 Ų6552 Ų5226%0.25527%0.266SS..  trans-74.7135.8171176-95.1000110.7E50 K59 I61 N112E50-Y110 HydrophobicContact CG-CD2 4.34Å; E50-Y110 HydrophobicContact CG-CE2 4.15Å; K59-Y110 HydrophobicContact CB-CD1 4.21Å; K59-Y110 HydrophobicContact CB-CD2 4.31Å; K59-Y110 HydrophobicContact CB-CG 3.85Å; K59-Y110 HydrophobicContact CD-CD1 4.21Å; K59-Y110 HydrophobicContact CD-CE1 4.19Å; K59-Y110 HydrophobicContact CD-CG 4.4Å; K59-Y110 WeakPolarHBondContact O-CB 3.44Å; I61-Y110 HydrophobicContact CD1-CD2 3.93Å; I61-Y110 HydrophobicContact CD1-CE2 4.47Å; I61-Y110 HydrophobicContact CG1-CD2 4.29Å; Y110-N112 HydrophobicContact CE1-CB 4.01Å
111V96.3Very high96.3Very high25 Ų2546.7 Ų46.715%0.15225%0.248CC..  trans-123.4125.7173.3-174.90000108E109 N113 M158 D160 R167E109-V111 HydrophobicContact CG-CG2 4.32Å; V111-N113 PolarHBondContact O-N 3.17Å; V111-M158 HydrophobicContact CB-CB 4.13Å; V111-M158 HydrophobicContact CG1-CB 3.77Å; V111-D160 HydrophobicContact CG1-CB 4.5Å; V111-R167 HydrophobicContact CG2-CB 4.18Å; V111-R167 HydrophobicContact CG2-CG 3.78Å
112N95.3Very high96.5Very high76 Ų7648.2 Ų48.241%0.40625%0.254SS..  trans-7572.2177.9-17327.8000110.8Y110 D160Y110-N112 HydrophobicContact CE1-CB 4.01Å; N112-D160 WeakPolarHBondContact O-CA 3.09Å
113N95.7Very high96.7Very high55 Ų5543.2 Ų43.229%0.29423%0.233SC..PPolyproline II helixtrans-74.6132.2-172.517967.6000112.7V111 M158 I159V111-N113 PolarHBondContact O-N 3.17Å; N113-M158 HydrophobicContact CB-CB 4.26Å; N113-M158 HydrophobicContact CB-SD 3.71Å; N113-M158 VanDerWaalsContact CG-SD 3.53Å; N113-M158 VanDerWaalsContact OD1-CA 3.27Å; N113-M158 WeakPolarHBondContact OD1-CA 3.4Å; N113-I159 WeakPolarHBondContact CA-O 3.45Å; N113-I159 PolarHBondContact OD1-N 2.94Å
114T94.7Very high96.9Very high55 Ų5544.5 Ų44.534%0.33724%0.241SC..PPolyproline II helixtrans-90.4128.8160.9-54.40000109.6F116 V118 L119 I159T114-F116 PolarHBondContact O-N 3.41Å; T114-V118 HydrophobicContact CG2-CB 4.39Å; T114-V118 HydrophobicContact CG2-CG1 4.41Å; T114-L119 HydrophobicContact CG2-CB 3.9Å; T114-I159 PolarHBondContact N-O 3.45Å; T114-I159 VanDerWaalsContact N-O 3.08Å
115D94.2Very high97Very high77 Ų7745.5 Ų45.541%0.41225%0.245SC..PPolyproline II helixtrans-55.9132.5178-174.8-85.7000110.8K117 V118 L119D115-K117 PolarHBondContact O-N 2.87Å; D115-K117 VanDerWaalsContact O-N 3.16Å; D115-K117 WeakPolarHBondContact OD1-CB 3.23Å; D115-K117 WeakPolarHBondContact OD1-CG 3.32Å; D115-K117 PolarHBondContact OD1-N 3.02Å; D115-V118 WeakPolarHBondContact O-CA 3.2Å; D115-V118 WeakPolarHBondContact O-CB 3.21Å; D115-V118 PolarHBondContact O-N 2.99Å; D115-L119 PolarHBondContact O-N 3.08Å
116F95Very high97Very high9 Ų948.7 Ų48.74%0.03926%0.257CS..Hα-helixtrans-64-24.6-171.878.2-85.2000112.9T114 V118 L119 Y120 P154 H155 E225T114-F116 PolarHBondContact O-N 3.41Å; F116-V118 PolarHBondContact O-N 3.22Å; F116-L119 PolarHBondContact O-N 2.66Å; F116-Y120 HydrophobicContact CB-CD1 3.98Å; F116-Y120 HydrophobicContact CB-CD2 4.37Å; F116-Y120 HydrophobicContact CB-CE1 3.77Å; F116-Y120 HydrophobicContact CB-CE2 4.19Å; F116-Y120 HydrophobicContact CB-CG 4.28Å; F116-Y120 AromaticContact CD2-CD2 3.98Å; F116-Y120 HydrophobicContact CD2-CD2 3.98Å; F116-Y120 HydrophobicContact CD2-CE2 4.03Å; F116-Y120 HydrophobicContact CD2-CG 4.47Å; F116-Y120 VanDerWaalsContact O-CB 3.23Å; F116-Y120 WeakPolarHBondContact O-CB 3.3Å; F116-Y120 PolarHBondContact O-N 2.88Å; F116-P154 HydrophobicContact CB-CB 4.03Å; F116-P154 HydrophobicContact CD1-CB 3.82Å; F116-P154 HydrophobicContact CD2-CB 3.36Å; F116-P154 HydrophobicContact CD2-CG 4.14Å; F116-P154 HydrophobicContact CE1-CB 4.14Å; F116-P154 HydrophobicContact CE2-CB 3.7Å; F116-P154 HydrophobicContact CE2-CG 4.19Å; F116-P154 HydrophobicContact CG-CB 3.42Å; F116-P154 VanDerWaalsContact CG-CB 3.42Å; F116-P154 HydrophobicContact CZ-CB 4.08Å; F116-H155 AromaticContact CE1-CD2 3.88Å; F116-H155 AromaticContact CE1-CE1 3.33Å; F116-H155 WeakPolarHBondContact CE1-CE1 3.45Å; F116-H155 AromaticContact CE1-CG 3.84Å; F116-H155 AromaticContact CE1-ND1 3.49Å; F116-H155 WeakPolarHBondContact CE1-ND1 3.39Å; F116-H155 AromaticContact CE1-NE2 3.61Å; F116-H155 AromaticContact CZ-CE1 3.42Å; F116-H155 VanDerWaalsContact CZ-CE1 3.42Å; F116-H155 WeakPolarHBondContact CZ-CE1 3.23Å; F116-H155 AromaticContact CZ-ND1 3.78Å; F116-E225 HydrophobicContact CE2-CG 4.29Å; F116-E225 WeakPolarHBondContact CE2-OE1 3.27Å; F116-E225 WeakPolarHBondContact CE2-OE2 3.28Å; F116-E225 WeakPolarHBondContact CZ-OE1 3.42Å
117K95.3Very high97Very high127 Ų12749.4 Ų49.455%0.55226%0.261SS*.Hα-helixtrans-69.8-26174.9-61.7-177.8175.1-178.40112.3D115 P121D115-K117 PolarHBondContact O-N 2.87Å; D115-K117 VanDerWaalsContact O-N 3.16Å; D115-K117 WeakPolarHBondContact OD1-CB 3.23Å; D115-K117 WeakPolarHBondContact OD1-CG 3.32Å; D115-K117 PolarHBondContact OD1-N 3.02Å; K117-P121 WeakPolarHBondContact O-CD 3.41Å; K117-P121 WeakPolarHBondContact O-CG 3.39Å
118V97.2Very high97Very high100 Ų10049.5 Ų49.561%0.60626%0.261SS*.Hα-helixtrans-86.9-42.9173.3-178.50000110.1T114 D115 F116T114-V118 HydrophobicContact CG2-CB 4.39Å; T114-V118 HydrophobicContact CG2-CG1 4.41Å; D115-V118 WeakPolarHBondContact O-CA 3.2Å; D115-V118 WeakPolarHBondContact O-CB 3.21Å; D115-V118 PolarHBondContact O-N 2.99Å; F116-V118 PolarHBondContact O-N 3.22Å
119L97.5Very high97Very high5 Ų549.8 Ų49.83%0.02626%0.262CS..Hα-helixtrans-75.2-48.8-173.9-177.362000113.4T114 D115 F116 P121 T122 L123 I159 H161T114-L119 HydrophobicContact CG2-CB 3.9Å; D115-L119 PolarHBondContact O-N 3.08Å; F116-L119 PolarHBondContact O-N 2.66Å; L119-P121 VanDerWaalsContact C-CD 3.5Å; L119-T122 PolarHBondContact O-N 2.96Å; L119-T122 PolarHBondContact O-OG1 2.72Å; L119-L123 HydrophobicContact CD1-CD2 3.78Å; L119-L123 HydrophobicContact CG-CD2 3.87Å; L119-L123 HydrophobicContact CG-CG 4.36Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 3.07Å; L119-I159 HydrophobicContact CD2-CB 3.78Å; L119-I159 HydrophobicContact CD2-CD1 4.02Å; L119-I159 HydrophobicContact CD2-CG1 4.49Å; L119-I159 HydrophobicContact CD2-CG2 3.66Å; L119-H161 HydrophobicContact CD1-CB 3.88Å; L119-H161 HydrophobicContact CD2-CB 4.48Å
120Y96.9Very high97Very high31 Ų3149.6 Ų49.612%0.12226%0.26CS..G310 helixtrans-59.7-37.7-171-73.58.6000113.9F116 T122 L123 P154 I159 M216 M220F116-Y120 HydrophobicContact CB-CD1 3.98Å; F116-Y120 HydrophobicContact CB-CD2 4.37Å; F116-Y120 HydrophobicContact CB-CE1 3.77Å; F116-Y120 HydrophobicContact CB-CE2 4.19Å; F116-Y120 HydrophobicContact CB-CG 4.28Å; F116-Y120 AromaticContact CD2-CD2 3.98Å; F116-Y120 HydrophobicContact CD2-CD2 3.98Å; F116-Y120 HydrophobicContact CD2-CE2 4.03Å; F116-Y120 HydrophobicContact CD2-CG 4.47Å; F116-Y120 VanDerWaalsContact O-CB 3.23Å; F116-Y120 WeakPolarHBondContact O-CB 3.3Å; F116-Y120 PolarHBondContact O-N 2.88Å; Y120-T122 PolarHBondContact O-N 3.45Å; Y120-L123 HydrophobicContact CD1-CD1 3.91Å; Y120-L123 HydrophobicContact CE1-CD1 4.47Å; Y120-L123 PolarHBondContact O-N 3.5Å; Y120-P154 HydrophobicContact CE2-CB 3.84Å; Y120-P154 HydrophobicContact CE2-CG 3.97Å; Y120-I159 HydrophobicContact CE1-CD1 4.3Å; Y120-M216 WeakPolarHBondContact OH-CE 3.32Å; Y120-M220 HydrophobicContact CD1-CE 4.23Å; Y120-M220 HydrophobicContact CD2-CE 4.41Å; Y120-M220 HydrophobicContact CD2-CG 3.61Å; Y120-M220 HydrophobicContact CD2-SD 4.35Å; Y120-M220 HydrophobicContact CE1-CE 4.12Å; Y120-M220 HydrophobicContact CE2-CE 4.29Å; Y120-M220 HydrophobicContact CE2-CG 3.7Å; Y120-M220 HydrophobicContact CE2-SD 3.95Å; Y120-M220 HydrophobicContact CG-CE 4.38Å; Y120-M220 HydrophobicContact CG-CG 4.28Å
121P96.6Very high97.1Very high69 Ų6946.7 Ų46.745%0.44825%0.249SC..G310 helixtrans-61.2-26173.9-26.136.6000114.6K117 L119 R223K117-P121 WeakPolarHBondContact O-CD 3.41Å; K117-P121 WeakPolarHBondContact O-CG 3.39Å; L119-P121 VanDerWaalsContact C-CD 3.5Å; P121-R223 PolarHBondContact O-NH2 3.36Å
122T97.3Very high97.2Very high95 Ų9545.7 Ų45.758%0.58324%0.242SC*.G310 helixtrans-90.2-13.9-177.371.90000113.6L119 Y120L119-T122 PolarHBondContact O-N 2.96Å; L119-T122 PolarHBondContact O-OG1 2.72Å; Y120-T122 PolarHBondContact O-N 3.45Å
123L98.2Very high97.4Very high4 Ų443 Ų432%0.02123%0.227CC..  trans-65.8135.2-176.7-62-174.9000111.9L119 Y120 D127 I128 Y131 M220L119-L123 HydrophobicContact CD1-CD2 3.78Å; L119-L123 HydrophobicContact CG-CD2 3.87Å; L119-L123 HydrophobicContact CG-CG 4.36Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 3.07Å; Y120-L123 HydrophobicContact CD1-CD1 3.91Å; Y120-L123 HydrophobicContact CE1-CD1 4.47Å; Y120-L123 PolarHBondContact O-N 3.5Å; L123-D127 HydrophobicContact CB-CB 4.02Å; L123-D127 HydrophobicContact CD2-CB 3.88Å; L123-D127 HydrophobicContact CG-CB 4.41Å; L123-I128 HydrophobicContact CB-CG1 3.93Å; L123-I128 HydrophobicContact CD1-CG1 4.29Å; L123-Y131 HydrophobicContact CD1-CD2 4.25Å; L123-Y131 HydrophobicContact CD2-CD2 4.25Å; L123-Y131 HydrophobicContact CD2-CE2 4.02Å; L123-M220 HydrophobicContact CD1-CE 3.6Å
124T98.3Very high97.5Very high72 Ų7241.3 Ų41.344%0.44222%0.217SC..  trans-75.3165.1167.667.60000110.8Y126 D127 I128T124-Y126 PolarHBondContact O-N 2.86Å; T124-D127 PolarHBondContact N-OD2 3.29Å; T124-D127 PolarHBondContact O-N 3.13Å; T124-D127 VanDerWaalsContact OG1-CG 3.23Å; T124-D127 PolarHBondContact OG1-N 3.2Å; T124-D127 VanDerWaalsContact OG1-N 3.13Å; T124-D127 PolarHBondContact OG1-OD2 3.37Å; T124-I128 WeakPolarHBondContact O-CG1 3.48Å; T124-I128 PolarHBondContact O-N 3.08Å
125D98.5Very high97.7Very high38 Ų3838.8 Ų38.820%0.20320%0.202CC..Hα-helixtrans-51.9-44.2171.7173.950.5000111.6D127 I128 R129 L287D125-D127 PolarHBondContact O-N 2.76Å; D125-I128 PolarHBondContact O-N 3.12Å; D125-R129 VanDerWaalsContact CG-NE 3.35Å; D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 2.97Å; D125-R129 IonicContact OD1-CZ 2.78Å; D125-R129 IonicContact OD1-NE 3.13Å; D125-R129 PolarHBondContact OD1-NE 2.98Å; D125-R129 IonicContact OD1-NH2 3.26Å; D125-R129 PolarHBondContact OD1-NH2 3.03Å; D125-R129 IonicContact OD2-CZ 3.16Å; D125-R129 VanDerWaalsContact OD2-CZ 3.25Å; D125-R129 IonicContact OD2-NE 2.74Å; D125-R129 PolarHBondContact OD2-NE 3.37Å; D125-R129 IonicContact OD2-NH2 2.65Å; D125-R129 PolarHBondContact OD2-NH2 2.78Å; D125-L287 HydrophobicContact CB-CD2 4.24Å
126Y98.5Very high97.9Very high72 Ų7235.1 Ų35.128%0.28218%0.182SC..Hα-helixtrans-64.1-38.8177.6-175.4-95.2000112.6T124 R129 Y130 Q321 V322 A325T124-Y126 PolarHBondContact O-N 2.86Å; Y126-R129 PolarHBondContact O-N 2.91Å; Y126-Y130 WeakPolarHBondContact O-CB 3.47Å; Y126-Y130 PolarHBondContact O-N 2.82Å; Y126-Q321 HydrophobicContact CE2-CB 4.28Å; Y126-V322 HydrophobicContact CE2-CG2 4.17Å; Y126-A325 WeakPolarHBondContact OH-CB 3.32Å
127D98.5Very high98.1Very high15 Ų1536.3 Ų36.38%0.0819%0.187CC..Hα-helixtrans-66.2-39.6176.7-66-49.8000112.4L123 T124 D125 Y130 Y131 R164L123-D127 HydrophobicContact CB-CB 4.02Å; L123-D127 HydrophobicContact CD2-CB 3.88Å; L123-D127 HydrophobicContact CG-CB 4.41Å; T124-D127 PolarHBondContact N-OD2 3.29Å; T124-D127 PolarHBondContact O-N 3.13Å; T124-D127 VanDerWaalsContact OG1-CG 3.23Å; T124-D127 PolarHBondContact OG1-N 3.2Å; T124-D127 VanDerWaalsContact OG1-N 3.13Å; T124-D127 PolarHBondContact OG1-OD2 3.37Å; D125-D127 PolarHBondContact O-N 2.76Å; D127-Y130 PolarHBondContact O-N 2.8Å; D127-Y131 HydrophobicContact CB-CD2 4.25Å; D127-Y131 HydrophobicContact CB-CE2 4.17Å; D127-Y131 WeakPolarHBondContact O-CD2 3.35Å; D127-Y131 PolarHBondContact O-N 2.72Å; D127-R164 IonicContact OD1-CZ 2.72Å; D127-R164 VanDerWaalsContact OD1-CZ 3.28Å; D127-R164 IonicContact OD1-NH1 3.88Å; D127-R164 PolarHBondContact OD1-NH1 3.04Å; D127-R164 IonicContact OD1-NH2 3.99Å; D127-R164 PolarHBondContact OD1-NH2 3.11Å
128I98.7Very high98.3Very high2 Ų230.2 Ų30.21%0.0116%0.161CC..Hα-helixtrans-60.5-48.8174.4-61.1178.4000109.6L123 T124 D125 Y130 I132 F217 M220 I221 L287L123-I128 HydrophobicContact CB-CG1 3.93Å; L123-I128 HydrophobicContact CD1-CG1 4.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.48Å; T124-I128 PolarHBondContact O-N 3.08Å; D125-I128 PolarHBondContact O-N 3.12Å; I128-Y130 VanDerWaalsContact C-N 3.32Å; I128-Y130 PolarHBondContact O-N 3.21Å; I128-I132 HydrophobicContact CG2-CG1 4.21Å; I128-I132 VanDerWaalsContact O-CB 3.32Å; I128-I132 WeakPolarHBondContact O-CB 3.48Å; I128-I132 WeakPolarHBondContact O-CG1 3.39Å; I128-I132 PolarHBondContact O-N 3.42Å; I128-F217 HydrophobicContact CG2-CD2 4.01Å; I128-F217 HydrophobicContact CG2-CE2 3.74Å; I128-M220 HydrophobicContact CB-CE 4.33Å; I128-M220 HydrophobicContact CD1-CB 4.24Å; I128-M220 HydrophobicContact CG1-CE 4.04Å; I128-M220 HydrophobicContact CG2-CB 4.33Å; I128-M220 HydrophobicContact CG2-CE 3.98Å; I128-M220 HydrophobicContact CG2-SD 4.4Å; I128-I221 HydrophobicContact CD1-CG2 4.46Å; I128-I221 HydrophobicContact CG2-CG2 4.21Å; I128-L287 HydrophobicContact CD1-CB 4.49Å; I128-L287 HydrophobicContact CD1-CD1 4Å; I128-L287 HydrophobicContact CD1-CD2 3.97Å; I128-L287 HydrophobicContact CD1-CG 4.37Å
129R98.7Very high98.4Very high20 Ų2025.5 Ų25.58%0.07513%0.132CC..Hα-helixtrans-54.5-49.2175.1-68.8171.9-165.2-115.39.3111.1D125 Y126 Y133 S289 Y318 F319 V322D125-R129 VanDerWaalsContact CG-NE 3.35Å; D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 2.97Å; D125-R129 IonicContact OD1-CZ 2.78Å; D125-R129 IonicContact OD1-NE 3.13Å; D125-R129 PolarHBondContact OD1-NE 2.98Å; D125-R129 IonicContact OD1-NH2 3.26Å; D125-R129 PolarHBondContact OD1-NH2 3.03Å; D125-R129 IonicContact OD2-CZ 3.16Å; D125-R129 VanDerWaalsContact OD2-CZ 3.25Å; D125-R129 IonicContact OD2-NE 2.74Å; D125-R129 PolarHBondContact OD2-NE 3.37Å; D125-R129 IonicContact OD2-NH2 2.65Å; D125-R129 PolarHBondContact OD2-NH2 2.78Å; Y126-R129 PolarHBondContact O-N 2.91Å; R129-Y133 VanDerWaalsContact O-CB 3.25Å; R129-Y133 WeakPolarHBondContact O-CB 3.4Å; R129-Y133 PolarHBondContact O-N 2.75Å; R129-S289 PolarHBondContact NH2-OG 3.42Å; R129-Y318 HydrophobicContact CB-CE1 4.25Å; R129-Y318 WeakPolarHBondContact CD-O 3.39Å; R129-Y318 HydrophobicContact CG-CD1 4.1Å; R129-Y318 HydrophobicContact CG-CD2 4.33Å; R129-Y318 HydrophobicContact CG-CE1 3.49Å; R129-Y318 VanDerWaalsContact CG-CE1 3.49Å; R129-Y318 HydrophobicContact CG-CE2 3.73Å; R129-Y318 HydrophobicContact CG-CG 4.48Å; R129-Y318 WeakPolarHBondContact CG-OH 3.46Å; R129-Y318 VanDerWaalsContact CZ-CE2 3.44Å; R129-Y318 PolarHBondContact NH1-O 3.05Å; R129-F319 HydrophobicContact CB-CD1 4.46Å; R129-F319 WeakPolarHBondContact O-CD1 3.49Å; R129-F319 WeakPolarHBondContact O-CE1 3.26Å; R129-V322 HydrophobicContact CB-CG2 3.71Å
130Y98.6Very high98.4Very high29 Ų2925.5 Ų25.511%0.11413%0.132CC..Hα-helixtrans-61.5-53.5-178.1176.7-94.5000112.1Y126 D127 I128 I132 Y133 E134 R164 V322Y126-Y130 WeakPolarHBondContact O-CB 3.47Å; Y126-Y130 PolarHBondContact O-N 2.82Å; D127-Y130 PolarHBondContact O-N 2.8Å; I128-Y130 VanDerWaalsContact C-N 3.32Å; I128-Y130 PolarHBondContact O-N 3.21Å; Y130-I132 PolarHBondContact O-N 3.34Å; Y130-Y133 WeakPolarHBondContact O-CB 3.34Å; Y130-Y133 PolarHBondContact O-N 3.21Å; Y130-E134 HydrophobicContact CD1-CG 4.29Å; Y130-E134 HydrophobicContact CE1-CG 3.87Å; Y130-E134 HydrophobicContact CE2-CG 4.26Å; Y130-E134 WeakPolarHBondContact O-CG 3.48Å; Y130-E134 PolarHBondContact O-N 2.86Å; Y130-R164 HydrophobicContact CE1-CB 3.85Å; Y130-R164 WeakPolarHBondContact CE1-O 3.38Å; Y130-R164 VanDerWaalsContact CG-NH2 3.26Å; Y130-R164 PolarHBondContact OH-O 3.5Å; Y130-V322 HydrophobicContact CD2-CG1 4.24Å
131Y98.8Very high98.5Very high5 Ų526.7 Ų26.72%0.0214%0.137CC..Hα-helixtrans-69.7-33.9-176.2-70.9-58.2000113.1L123 D127 Y133 E134 L135 I159 H161 L166L123-Y131 HydrophobicContact CD1-CD2 4.25Å; L123-Y131 HydrophobicContact CD2-CD2 4.25Å; L123-Y131 HydrophobicContact CD2-CE2 4.02Å; D127-Y131 HydrophobicContact CB-CD2 4.25Å; D127-Y131 HydrophobicContact CB-CE2 4.17Å; D127-Y131 WeakPolarHBondContact O-CD2 3.35Å; D127-Y131 PolarHBondContact O-N 2.72Å; Y131-Y133 VanDerWaalsContact C-N 3.33Å; Y131-E134 PolarHBondContact O-N 2.78Å; Y131-L135 WeakPolarHBondContact O-CB 3.19Å; Y131-L135 PolarHBondContact O-N 3.21Å; Y131-I159 HydrophobicContact CD1-CD1 4.01Å; Y131-I159 HydrophobicContact CD1-CG1 4.28Å; Y131-I159 HydrophobicContact CD1-CG2 4.02Å; Y131-I159 HydrophobicContact CD2-CD1 4.36Å; Y131-I159 HydrophobicContact CE1-CD1 4.5Å; Y131-I159 HydrophobicContact CE1-CG2 3.44Å; Y131-I159 VanDerWaalsContact CE1-CG2 3.44Å; Y131-I159 HydrophobicContact CE2-CG2 4.23Å; Y131-I159 HydrophobicContact CG-CD1 3.95Å; Y131-H161 AromaticContact CE2-CE1 3.82Å; Y131-H161 AromaticContact CE2-ND1 3.41Å; Y131-H161 WeakPolarHBondContact CE2-ND1 3.49Å; Y131-H161 AromaticContact CZ-ND1 3.52Å; Y131-H161 WeakPolarHBondContact OH-CA 3.46Å; Y131-H161 PolarHBondContact OH-ND1 3.43Å; Y131-L166 HydrophobicContact CD1-CB 4.47Å; Y131-L166 HydrophobicContact CD1-CD1 4.09Å; Y131-L166 WeakPolarHBondContact O-CD1 3.35Å
132I98.8Very high98.7Very high3 Ų323.4 Ų23.42%0.01512%0.115CC..Hα-helixtrans-66.4-38.8172.4-66.5-71.6000110.5I128 Y130 L135 L136 L213 F217 M220 F295 F319I128-I132 HydrophobicContact CG2-CG1 4.21Å; I128-I132 VanDerWaalsContact O-CB 3.32Å; I128-I132 WeakPolarHBondContact O-CB 3.48Å; I128-I132 WeakPolarHBondContact O-CG1 3.39Å; I128-I132 PolarHBondContact O-N 3.42Å; Y130-I132 PolarHBondContact O-N 3.34Å; I132-L135 PolarHBondContact O-N 3.3Å; I132-L136 HydrophobicContact CG2-CD1 4.21Å; I132-L136 WeakPolarHBondContact O-CB 3.49Å; I132-L136 VanDerWaalsContact O-CG 3.31Å; I132-L136 WeakPolarHBondContact O-CG 3.32Å; I132-L136 PolarHBondContact O-N 2.85Å; I132-L213 HydrophobicContact CD1-CD1 4.05Å; I132-L213 HydrophobicContact CG2-CD1 4.37Å; I132-F217 HydrophobicContact CD1-CB 4.27Å; I132-F217 HydrophobicContact CD1-CD2 4.18Å; I132-F217 HydrophobicContact CG1-CD2 3.91Å; I132-M220 HydrophobicContact CD1-SD 3.89Å; I132-M220 HydrophobicContact CG1-SD 4.32Å; I132-F295 HydrophobicContact CG2-CE1 4.1Å; I132-F295 HydrophobicContact CG2-CZ 4.41Å; I132-F319 HydrophobicContact CB-CE1 4.14Å; I132-F319 HydrophobicContact CB-CZ 4.4Å; I132-F319 HydrophobicContact CG2-CE1 3.87Å; I132-F319 HydrophobicContact CG2-CZ 3.63Å
133Y98.9Very high98.7Very high21 Ų2119 Ų198%0.0829%0.088CC..Hα-helixtrans-63.5-43.3174.5-168.4-100.2000112.2R129 Y130 Y131 L135 L136 K137 M314 F319 V322 R323 E326R129-Y133 VanDerWaalsContact O-CB 3.25Å; R129-Y133 WeakPolarHBondContact O-CB 3.4Å; R129-Y133 PolarHBondContact O-N 2.75Å; Y130-Y133 WeakPolarHBondContact O-CB 3.34Å; Y130-Y133 PolarHBondContact O-N 3.21Å; Y131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-L135 VanDerWaalsContact C-N 3.33Å; Y133-L135 PolarHBondContact O-N 2.91Å; Y133-L136 WeakPolarHBondContact O-CB 3.49Å; Y133-L136 PolarHBondContact O-N 3.1Å; Y133-K137 HydrophobicContact CE1-CD 4.47Å; Y133-K137 PolarHBondContact O-N 2.86Å; Y133-M314 HydrophobicContact CD2-CB 4.31Å; Y133-M314 HydrophobicContact CD2-CG 4.22Å; Y133-M314 HydrophobicContact CE2-CB 3.67Å; Y133-M314 HydrophobicContact CE2-CG 3.9Å; Y133-M314 WeakPolarHBondContact CE2-O 3.31Å; Y133-M314 HydrophobicContact CE2-SD 4.38Å; Y133-F319 HydrophobicContact CD2-CB 3.68Å; Y133-F319 AromaticContact CD2-CD1 3.78Å; Y133-F319 HydrophobicContact CD2-CD1 3.78Å; Y133-F319 HydrophobicContact CD2-CD2 4.24Å; Y133-F319 HydrophobicContact CD2-CE1 4.48Å; Y133-F319 AromaticContact CD2-CG 3.63Å; Y133-F319 HydrophobicContact CD2-CG 3.63Å; Y133-F319 HydrophobicContact CE2-CB 4.05Å; Y133-F319 HydrophobicContact CE2-CG 4.38Å; Y133-F319 HydrophobicContact CG-CD1 4.22Å; Y133-F319 HydrophobicContact CG-CG 4.5Å; Y133-V322 HydrophobicContact CD1-CG1 3.67Å; Y133-V322 HydrophobicContact CE1-CG1 4.3Å; Y133-V322 HydrophobicContact CG-CG1 3.85Å; Y133-R323 HydrophobicContact CE2-CG 3.84Å; Y133-R323 WeakPolarHBondContact OH-CG 3.34Å; Y133-E326 WeakPolarHBondContact CE1-OE2 3.43Å
134E98.8Very high98.8Very high18 Ų1820.1 Ų20.18%0.08410%0.096CC..Hα-helixtrans-64-36.7175.4-70.6-56.1111.200112.5N88 Y130 Y131 K137 A138 L166N88-E134 PolarHBondContact ND2-O 3.49Å; N88-E134 PolarHBondContact ND2-OE2 3.2Å; Y130-E134 HydrophobicContact CD1-CG 4.29Å; Y130-E134 HydrophobicContact CE1-CG 3.87Å; Y130-E134 HydrophobicContact CE2-CG 4.26Å; Y130-E134 WeakPolarHBondContact O-CG 3.48Å; Y130-E134 PolarHBondContact O-N 2.86Å; Y131-E134 PolarHBondContact O-N 2.78Å; E134-K137 WeakPolarHBondContact O-CB 3.45Å; E134-K137 PolarHBondContact O-N 3.41Å; E134-K137 WeakPolarHBondContact OE1-CE 3.45Å; E134-K137 IonicContact OE1-NZ 3.38Å; E134-K137 PolarHBondContact OE1-NZ 3.49Å; E134-K137 IonicContact OE2-NZ 2.86Å; E134-A138 PolarHBondContact O-N 3.15Å; E134-L166 HydrophobicContact CB-CB 4.09Å; E134-L166 HydrophobicContact CB-CD1 4.21Å
135L98.9Very high98.8Very high3 Ų318.1 Ų18.12%0.0168%0.082CC..Hα-helixtrans-67.4-39.1172.718056.4000111.8Y131 I132 Y133 K137 A138 L139 V152 V157 L166 L168 L213 M216Y131-L135 WeakPolarHBondContact O-CB 3.19Å; Y131-L135 PolarHBondContact O-N 3.21Å; I132-L135 PolarHBondContact O-N 3.3Å; Y133-L135 VanDerWaalsContact C-N 3.33Å; Y133-L135 PolarHBondContact O-N 2.91Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-K137 PolarHBondContact O-N 3.33Å; L135-A138 WeakPolarHBondContact O-CB 3.33Å; L135-A138 PolarHBondContact O-N 3.44Å; L135-A138 VanDerWaalsContact O-N 3.15Å; L135-L139 HydrophobicContact CD1-CG 4.47Å; L135-L139 HydrophobicContact CG-CD1 4.39Å; L135-L139 WeakPolarHBondContact O-CG 3.42Å; L135-L139 PolarHBondContact O-N 3.42Å; L135-V152 HydrophobicContact CD2-CG1 4.38Å; L135-V157 HydrophobicContact CD1-CG2 4.01Å; L135-V157 HydrophobicContact CD2-CG2 4Å; L135-L166 HydrophobicContact CB-CD1 4.26Å; L135-L166 HydrophobicContact CB-CD2 4.37Å; L135-L166 HydrophobicContact CD1-CD2 4.47Å; L135-L168 HydrophobicContact CD1-CB 4.43Å; L135-L168 HydrophobicContact CD1-CD1 4.09Å; L135-L168 HydrophobicContact CD1-CD2 4.34Å; L135-L213 HydrophobicContact CD2-CD1 3.43Å; L135-L213 VanDerWaalsContact CD2-CD1 3.43Å; L135-L213 HydrophobicContact CG-CD1 3.97Å; L135-M216 HydrophobicContact CD2-CE 4.14Å; L135-M216 HydrophobicContact CD2-SD 4.36Å
136L98.9Very high98.8Very high0 Ų016.3 Ų16.30%07%0.072CC..Hα-helixtrans-61.4-35.2174.6-77.9167000112.4I132 Y133 A138 L139 D140 M210 L213 F295 A310 A313 M314 F319I132-L136 HydrophobicContact CG2-CD1 4.21Å; I132-L136 WeakPolarHBondContact O-CB 3.49Å; I132-L136 VanDerWaalsContact O-CG 3.31Å; I132-L136 WeakPolarHBondContact O-CG 3.32Å; I132-L136 PolarHBondContact O-N 2.85Å; Y133-L136 WeakPolarHBondContact O-CB 3.49Å; Y133-L136 PolarHBondContact O-N 3.1Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.84Å; L136-L139 PolarHBondContact O-N 3.39Å; L136-D140 WeakPolarHBondContact O-CB 3.4Å; L136-D140 PolarHBondContact O-N 3.01Å; L136-M210 HydrophobicContact CD2-CE 3.72Å; L136-M210 HydrophobicContact CD2-SD 4.44Å; L136-L213 HydrophobicContact CD2-CD2 3.4Å; L136-L213 VanDerWaalsContact CD2-CD2 3.4Å; L136-L213 HydrophobicContact CG-CD2 3.92Å; L136-F295 HydrophobicContact CD1-CZ 4.27Å; L136-A310 HydrophobicContact CD2-CB 4.24Å; L136-A313 HydrophobicContact CD1-CB 3.88Å; L136-A313 HydrophobicContact CD2-CB 3.58Å; L136-A313 HydrophobicContact CG-CB 4.41Å; L136-M314 HydrophobicContact CB-CG 3.53Å; L136-M314 HydrophobicContact CB-SD 4.19Å; L136-M314 HydrophobicContact CD1-CG 4.11Å; L136-M314 HydrophobicContact CG-CG 4.36Å; L136-F319 HydrophobicContact CD1-CD2 4.49Å; L136-F319 HydrophobicContact CD1-CE1 4.4Å; L136-F319 HydrophobicContact CD1-CE2 3.67Å; L136-F319 HydrophobicContact CD1-CZ 3.62Å
137K98.9Very high98.8Very high33 Ų3312.9 Ų12.914%0.1436%0.059CC..Hα-helixtrans-59.8-44.1172.6-68.6177.2-178.8170.40111.8P87 Y133 E134 L135 Y141 M314 E326P87-K137 HydrophobicContact CB-CB 4.27Å; P87-K137 HydrophobicContact CG-CB 4.42Å; Y133-K137 HydrophobicContact CE1-CD 4.47Å; Y133-K137 PolarHBondContact O-N 2.86Å; E134-K137 WeakPolarHBondContact O-CB 3.45Å; E134-K137 PolarHBondContact O-N 3.41Å; E134-K137 WeakPolarHBondContact OE1-CE 3.45Å; E134-K137 IonicContact OE1-NZ 3.38Å; E134-K137 PolarHBondContact OE1-NZ 3.49Å; E134-K137 IonicContact OE2-NZ 2.86Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-K137 PolarHBondContact O-N 3.33Å; K137-Y141 VanDerWaalsContact O-CB 3.28Å; K137-Y141 WeakPolarHBondContact O-CB 3.43Å; K137-Y141 PolarHBondContact O-N 2.83Å; K137-M314 HydrophobicContact CG-SD 3.87Å; K137-E326 IonicContact NZ-OE1 3.64Å; K137-E326 PolarHBondContact NZ-OE1 3.11Å; K137-E326 IonicContact NZ-OE2 3.46Å; K137-E326 PolarHBondContact NZ-OE2 3.23Å
138A98.9Very high98.9Very high0 Ų012.2 Ų12.20%06%0.055CC..Hα-helixtrans-63.9-43.8176.800000111.8P87 N88 I89 E134 L135 L136 Y141 C142 L168P87-A138 WeakPolarHBondContact O-CA 3.4Å; N88-A138 HydrophobicContact CB-CB 4.09Å; I89-A138 HydrophobicContact CD1-CB 3.9Å; E134-A138 PolarHBondContact O-N 3.15Å; L135-A138 WeakPolarHBondContact O-CB 3.33Å; L135-A138 PolarHBondContact O-N 3.44Å; L135-A138 VanDerWaalsContact O-N 3.15Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-A138 PolarHBondContact O-N 2.84Å; A138-Y141 PolarHBondContact O-N 2.8Å; A138-C142 PolarHBondContact O-N 3.39Å; A138-L168 HydrophobicContact CB-CB 4.07Å; A138-L168 HydrophobicContact CB-CD2 4.17Å
139L98.9Very high98.9Very high0 Ų012.1 Ų12.10%06%0.055CC..Hα-helixtrans-66.5-49.5179.8-66.7178.9000112L135 L136 Y141 C142 H143 V152 L168 D209 M210 L213 A310L135-L139 HydrophobicContact CD1-CG 4.47Å; L135-L139 HydrophobicContact CG-CD1 4.39Å; L135-L139 WeakPolarHBondContact O-CG 3.42Å; L135-L139 PolarHBondContact O-N 3.42Å; L136-L139 PolarHBondContact O-N 3.39Å; L139-Y141 VanDerWaalsContact C-N 3.26Å; L139-Y141 PolarHBondContact O-N 3.47Å; L139-C142 PolarHBondContact O-N 3.28Å; L139-C142 PolarHBondContact O-SG 3.19Å; L139-H143 VanDerWaalsContact O-CB 3.26Å; L139-H143 WeakPolarHBondContact O-CB 3.45Å; L139-H143 PolarHBondContact O-CD2 3.15Å; L139-H143 VanDerWaalsContact O-CD2 3.28Å; L139-H143 PolarHBondContact O-N 2.86Å; L139-H143 PolarHBondContact O-ND1 2.98Å; L139-V152 HydrophobicContact CD2-CG2 3.78Å; L139-L168 HydrophobicContact CD2-CD2 3.92Å; L139-D209 HydrophobicContact CD2-CB 4.13Å; L139-M210 HydrophobicContact CD1-SD 4.37Å; L139-L213 HydrophobicContact CD1-CB 4.45Å; L139-L213 HydrophobicContact CD1-CD1 4.46Å; L139-L213 HydrophobicContact CD1-CD2 4.35Å; L139-A310 HydrophobicContact CB-CB 4.13Å
140D98.9Very high98.9Very high6 Ų611.5 Ų11.53%0.0325%0.052CC..Hα-helixtrans-61.3-38.8177.8-17663.4000111.4Y7 L136 S144 A310 R311Y7-D140 PolarHBondContact OH-OD1 2.89Å; L136-D140 WeakPolarHBondContact O-CB 3.4Å; L136-D140 PolarHBondContact O-N 3.01Å; D140-S144 VanDerWaalsContact O-CB 3.24Å; D140-S144 WeakPolarHBondContact O-CB 3.06Å; D140-S144 PolarHBondContact O-N 3.08Å; D140-S144 PolarHBondContact O-OG 3.01Å; D140-A310 HydrophobicContact CB-CB 3.6Å; D140-R311 IonicContact OD1-NE 3Å; D140-R311 IonicContact OD2-CZ 2.91Å; D140-R311 IonicContact OD2-NE 2.6Å; D140-R311 PolarHBondContact OD2-NE 3.38Å; D140-R311 IonicContact OD2-NH2 2.6Å; D140-R311 PolarHBondContact OD2-NH2 3.18Å
141Y98.9Very high98.8Very high55 Ų5510.4 Ų10.422%0.2165%0.048CC..Hα-helixtrans-61.2-53.9174.7-178.9-104000111.7L83 G86 P87 I89 K137 A138 L139 H143 S144 Q145L83-Y141 HydrophobicContact CB-CE1 4.35Å; L83-Y141 HydrophobicContact CD2-CD1 4.12Å; L83-Y141 HydrophobicContact CD2-CE1 3.88Å; G86-Y141 VanDerWaalsContact CA-CZ 3.45Å; P87-Y141 HydrophobicContact CG-CD2 4.33Å; P87-Y141 HydrophobicContact CG-CG 4.09Å; I89-Y141 HydrophobicContact CD1-CD1 4.28Å; I89-Y141 HydrophobicContact CG1-CD1 3.88Å; I89-Y141 HydrophobicContact CG1-CE1 4.29Å; K137-Y141 VanDerWaalsContact O-CB 3.28Å; K137-Y141 WeakPolarHBondContact O-CB 3.43Å; K137-Y141 PolarHBondContact O-N 2.83Å; A138-Y141 PolarHBondContact O-N 2.8Å; L139-Y141 VanDerWaalsContact C-N 3.26Å; L139-Y141 PolarHBondContact O-N 3.47Å; Y141-H143 VanDerWaalsContact C-N 3.32Å; Y141-H143 PolarHBondContact O-N 2.93Å; Y141-S144 PolarHBondContact O-N 3.06Å; Y141-S144 PolarHBondContact O-OG 2.83Å; Y141-Q145 HydrophobicContact CD1-CG 4.46Å; Y141-Q145 HydrophobicContact CE1-CG 4.08Å; Y141-Q145 HydrophobicContact CE2-CG 4.27Å; Y141-Q145 WeakPolarHBondContact O-CG 3.48Å; Y141-Q145 PolarHBondContact O-N 2.87Å
142C98.9Very high98.8Very high0 Ų010.1 Ų10.10%05%0.047CC..Hα-helixtrans-66.2-35.6-177.973.40000112.6L83 A138 L139 Q145 G146 I147 W171L83-C142 HydrophobicContact CD1-CB 3.87Å; L83-C142 HydrophobicContact CD2-CB 3.84Å; A138-C142 PolarHBondContact O-N 3.39Å; L139-C142 PolarHBondContact O-N 3.28Å; L139-C142 PolarHBondContact O-SG 3.19Å; C142-Q145 CarbonylContact O-C 3.6Å; C142-Q145 WeakPolarHBondContact O-CA 3.4Å; C142-Q145 PolarHBondContact O-N 2.76Å; C142-Q145 VanDerWaalsContact O-N 3.12Å; C142-G146 PolarHBondContact O-N 3.4Å; C142-I147 CarbonylContact C-O 3.57Å; C142-I147 VanDerWaalsContact C-O 3.26Å; C142-I147 PolarHBondContact O-N 2.94Å; C142-I147 VanDerWaalsContact O-O 3.09Å; C142-W171 HydrophobicContact CB-CH2 3.53Å; C142-W171 HydrophobicContact CB-CZ3 3.75Å
143H98.9Very high98.8Very high4 Ų411.3 Ų11.32%0.0195%0.052CC..Hα-helixtrans-61.8-44.3173-64.1176.5000110.9Y7 L139 Y141 Q145 G146 I147 Y206 D209Y7-H143 WeakPolarHBondContact CB-O 3.02Å; Y7-H143 HydrophobicContact CD2-CB 3.88Å; Y7-H143 HydrophobicContact CE2-CB 4.09Å; L139-H143 VanDerWaalsContact O-CB 3.26Å; L139-H143 WeakPolarHBondContact O-CB 3.45Å; L139-H143 PolarHBondContact O-CD2 3.15Å; L139-H143 VanDerWaalsContact O-CD2 3.28Å; L139-H143 PolarHBondContact O-N 2.86Å; L139-H143 PolarHBondContact O-ND1 2.98Å; Y141-H143 VanDerWaalsContact C-N 3.32Å; Y141-H143 PolarHBondContact O-N 2.93Å; H143-Q145 PolarHBondContact O-N 3.07Å; H143-G146 WeakPolarHBondContact O-CA 3.5Å; H143-G146 PolarHBondContact O-N 2.8Å; H143-I147 PolarHBondContact CD2-O 3.49Å; H143-I147 PolarHBondContact N-O 3.38Å; H143-Y206 HydrophobicContact CB-CD1 3.91Å; H143-Y206 HydrophobicContact CB-CE1 4.47Å; H143-Y206 HydrophobicContact CB-CG 4.16Å; H143-Y206 AromaticContact CD2-CD1 3.77Å; H143-Y206 PolarHBondContact CE1-O 2.92Å; H143-Y206 AromaticContact CG-CD1 3.89Å; H143-D209 IonicContact CD2-OD2 3.85Å; H143-D209 IonicContact CE1-OD2 2.66Å; H143-D209 IonicContact NE2-OD2 2.78Å; H143-D209 PolarHBondContact NE2-OD2 2.94Å
144S98.8Very high98.8Very high27 Ų2710.5 Ų10.519%0.1895%0.05CC..Hα-helixtrans-64.3-22.6175.380.20000113.7D140 Y141 G146D140-S144 VanDerWaalsContact O-CB 3.24Å; D140-S144 WeakPolarHBondContact O-CB 3.06Å; D140-S144 PolarHBondContact O-N 3.08Å; D140-S144 PolarHBondContact O-OG 3.01Å; Y141-S144 PolarHBondContact O-N 3.06Å; Y141-S144 PolarHBondContact O-OG 2.83Å; S144-G146 VanDerWaalsContact C-N 3.28Å
145Q98.9Very high98.6Very high30 Ų3014.3 Ų14.314%0.147%0.067CC..THydrogen-bonded Turntrans-89.610.7172.1-64-41-62.700112.9Y18 L83 Y141 C142 H143 I147Y18-Q145 WeakPolarHBondContact OH-CB 3.49Å; Y18-Q145 PolarHBondContact OH-O 3.43Å; Y18-Q145 VanDerWaalsContact OH-O 3.11Å; Y18-Q145 PolarHBondContact OH-OE1 3.33Å; L83-Q145 HydrophobicContact CD2-CB 3.68Å; L83-Q145 HydrophobicContact CD2-CG 3.86Å; Y141-Q145 HydrophobicContact CD1-CG 4.46Å; Y141-Q145 HydrophobicContact CE1-CG 4.08Å; Y141-Q145 HydrophobicContact CE2-CG 4.27Å; Y141-Q145 WeakPolarHBondContact O-CG 3.48Å; Y141-Q145 PolarHBondContact O-N 2.87Å; C142-Q145 CarbonylContact O-C 3.6Å; C142-Q145 WeakPolarHBondContact O-CA 3.4Å; C142-Q145 PolarHBondContact O-N 2.76Å; C142-Q145 VanDerWaalsContact O-N 3.12Å; H143-Q145 PolarHBondContact O-N 3.07Å; Q145-I147 VanDerWaalsContact C-N 3.34Å; Q145-I147 HydrophobicContact CB-CD1 4.35Å; Q145-I147 PolarHBondContact O-N 3.41Å
146G98.8Very high98.6Very high0 Ų014.5 Ų14.50%07%0.068CC..THydrogen-bonded Turntrans73.323.917700000113.8N11 C142 H143 S144 F176 Y177N11-G146 PolarHBondContact ND2-O 3.37Å; C142-G146 PolarHBondContact O-N 3.4Å; H143-G146 WeakPolarHBondContact O-CA 3.5Å; H143-G146 PolarHBondContact O-N 2.8Å; S144-G146 VanDerWaalsContact C-N 3.28Å; G146-F176 CarbonylContact O-C 3.54Å; G146-F176 WeakPolarHBondContact O-CA 3.39Å; G146-Y177 PolarHBondContact O-N 2.85Å
147I98.9Very high98.5Very high0 Ų014.8 Ų14.80%07%0.07CC..EExtended strand (participates in β ladder)trans-121.8133.6-175.1-66156.4000110.1I79 N82 L83 C142 H143 Q145 W171 A174 E175 F176I79-I147 HydrophobicContact CD1-CG2 4.16Å; I79-I147 HydrophobicContact CG1-CD1 4.25Å; I79-I147 HydrophobicContact CG1-CG1 4.36Å; I79-I147 HydrophobicContact CG1-CG2 4.33Å; I79-I147 HydrophobicContact CG2-CD1 4.23Å; I79-I147 HydrophobicContact CG2-CG2 3.9Å; N82-I147 HydrophobicContact CB-CD1 4.38Å; L83-I147 HydrophobicContact CD1-CD1 4.12Å; L83-I147 HydrophobicContact CD1-CG2 4.32Å; L83-I147 HydrophobicContact CD2-CD1 3.74Å; L83-I147 HydrophobicContact CG-CD1 3.78Å; C142-I147 CarbonylContact C-O 3.57Å; C142-I147 VanDerWaalsContact C-O 3.26Å; C142-I147 PolarHBondContact O-N 2.94Å; C142-I147 VanDerWaalsContact O-O 3.09Å; H143-I147 PolarHBondContact CD2-O 3.49Å; H143-I147 PolarHBondContact N-O 3.38Å; Q145-I147 VanDerWaalsContact C-N 3.34Å; Q145-I147 HydrophobicContact CB-CD1 4.35Å; Q145-I147 PolarHBondContact O-N 3.41Å; I147-W171 HydrophobicContact CG2-CE3 4.36Å; I147-W171 HydrophobicContact CG2-CZ3 4.07Å; I147-A174 HydrophobicContact CG2-CB 4.22Å; I147-E175 WeakPolarHBondContact CA-O 3.26Å; I147-F176 HydrophobicContact CD1-CD1 4.34Å; I147-F176 HydrophobicContact CD1-CE1 3.79Å; I147-F176 HydrophobicContact CD1-CZ 4.32Å; I147-F176 HydrophobicContact CG1-CD1 3.72Å; I147-F176 HydrophobicContact CG1-CE1 3.69Å; I147-F176 HydrophobicContact CG1-CG 4.45Å; I147-F176 HydrophobicContact CG1-CZ 4.4Å
148M98.9Very high98.5Very high0 Ų014.7 Ų14.70%07%0.07CC..EExtended strand (participates in β ladder)trans-100.2138.1169.5-55.3174.1-7800109.3R150 A174 E175 Y177 Y183 Y204 D205 Y206M148-R150 HydrophobicContact CB-CG 3.74Å; M148-A174 CarbonylContact O-C 3.44Å; M148-A174 WeakPolarHBondContact O-CA 3.46Å; M148-A174 VanDerWaalsContact O-CB 3.27Å; M148-A174 WeakPolarHBondContact O-CB 3.48Å; M148-E175 HydrophobicContact CE-CB 4.49Å; M148-E175 PolarHBondContact N-O 2.85Å; M148-E175 PolarHBondContact O-N 2.86Å; M148-Y177 HydrophobicContact CE-CD2 4.14Å; M148-Y177 HydrophobicContact SD-CD2 4.13Å; M148-Y183 HydrophobicContact CE-CD1 4.22Å; M148-Y183 HydrophobicContact CE-CD2 4.28Å; M148-Y183 HydrophobicContact CE-CE1 3.81Å; M148-Y183 HydrophobicContact CE-CE2 3.9Å; M148-Y183 HydrophobicContact CE-CG 4.44Å; M148-Y204 HydrophobicContact SD-CD2 4.3Å; M148-Y204 HydrophobicContact SD-CE2 4.38Å; M148-D205 VanDerWaalsContact SD-CA 3.53Å; M148-Y206 HydrophobicContact CG-CD1 3.57Å; M148-Y206 HydrophobicContact CG-CE1 4.1Å; M148-Y206 HydrophobicContact CG-CG 4.27Å
149H98.9Very high98.5Very high0 Ų014.8 Ų14.80%07%0.071CC..  trans-76.6-45.2-179.8-173.3-90.4000112.1D151 V152 I169 W171 L173 A174 D209H149-D151 PolarHBondContact CE1-O 3.27Å; H149-D151 VanDerWaalsContact ND1-C 3.31Å; H149-D151 PolarHBondContact ND1-N 2.78Å; H149-D151 PolarHBondContact O-N 3.26Å; H149-V152 HydrophobicContact CB-CG2 3.91Å; H149-V152 PolarHBondContact ND1-N 2.84Å; H149-I169 PolarHBondContact NE2-O 2.82Å; H149-I169 VanDerWaalsContact NE2-O 3.07Å; H149-W171 HydrophobicContact CB-CZ3 4.29Å; H149-W171 AromaticContact CD2-CD2 3.73Å; H149-W171 AromaticContact CD2-CE2 3.83Å; H149-W171 AromaticContact CD2-CE3 3.63Å; H149-W171 AromaticContact CD2-CH2 3.78Å; H149-W171 AromaticContact CD2-CZ2 3.86Å; H149-W171 AromaticContact CD2-CZ3 3.66Å; H149-L173 CarbonylContact O-C 3.56Å; H149-A174 VanDerWaalsContact O-CA 3.28Å; H149-A174 WeakPolarHBondContact O-CA 3.39Å; H149-A174 PolarHBondContact O-N 3.45Å; H149-D209 PolarHBondContact N-OD2 2.88Å
150R98.7Very high98.4Very high7 Ų715.5 Ų15.53%0.0268%0.075CC..SBendtrans6213.1175.5-47.7-165.5-59.4178.2-7.6116.9M148 L173 E175 V187 A188 Y204 L208 D209M148-R150 HydrophobicContact CB-CG 3.74Å; R150-L173 VanDerWaalsContact CZ-O 3.24Å; R150-L173 PolarHBondContact NE-O 3.17Å; R150-L173 PolarHBondContact NH2-O 3.19Å; R150-E175 VanDerWaalsContact CZ-CB 3.46Å; R150-E175 IonicContact NH2-OE2 3.29Å; R150-V187 HydrophobicContact CB-CB 4.29Å; R150-V187 HydrophobicContact CB-CG2 4.19Å; R150-A188 WeakPolarHBondContact O-CA 3.41Å; R150-A188 WeakPolarHBondContact O-CB 3.36Å; R150-A188 PolarHBondContact O-N 3.17Å; R150-Y204 PolarHBondContact NH1-OH 3.23Å; R150-L208 HydrophobicContact CB-CD2 4.25Å; R150-L208 HydrophobicContact CG-CD2 4.14Å; R150-D209 WeakPolarHBondContact CA-OD1 3.44Å; R150-D209 PolarHBondContact N-OD1 3.31Å
151D98.2Very high98.4Very high6 Ų618 Ų183%0.0329%0.086CC..  trans-15243170-160.327.4000111.7H149 K153 N156 L173 A188 S189H149-D151 PolarHBondContact CE1-O 3.27Å; H149-D151 VanDerWaalsContact ND1-C 3.31Å; H149-D151 PolarHBondContact ND1-N 2.78Å; H149-D151 PolarHBondContact O-N 3.26Å; D151-K153 VanDerWaalsContact CG-NZ 3.25Å; D151-K153 PolarHBondContact O-N 3.11Å; D151-K153 IonicContact OD1-NZ 2.84Å; D151-K153 PolarHBondContact OD1-NZ 2.85Å; D151-K153 VanDerWaalsContact OD1-NZ 3.13Å; D151-K153 WeakPolarHBondContact OD2-CE 3.38Å; D151-K153 IonicContact OD2-NZ 2.8Å; D151-K153 PolarHBondContact OD2-NZ 2.79Å; D151-N156 PolarHBondContact O-ND2 2.72Å; D151-N156 PolarHBondContact OD2-ND2 3.26Å; D151-L173 HydrophobicContact CB-CB 4.2Å; D151-L173 HydrophobicContact CB-CD1 3.87Å; D151-A188 WeakPolarHBondContact OD1-CA 3.49Å; D151-S189 PolarHBondContact OD1-N 2.91Å; D151-S189 VanDerWaalsContact OD1-N 3.13Å; D151-S189 PolarHBondContact OD1-OG 2.77Å; D151-S189 VanDerWaalsContact OD1-OG 3.07Å
152V98.8Very high98.3Very high0 Ų023.1 Ų23.10%011%0.112CC..  trans-68.1121.7173.6178.80000108.8L135 L139 H149 D209 S212 M216L135-V152 HydrophobicContact CD2-CG1 4.38Å; L139-V152 HydrophobicContact CD2-CG2 3.78Å; H149-V152 HydrophobicContact CB-CG2 3.91Å; H149-V152 PolarHBondContact ND1-N 2.84Å; V152-D209 HydrophobicContact CG2-CB 4.01Å; V152-S212 WeakPolarHBondContact O-CB 3.28Å; V152-M216 HydrophobicContact CG1-SD 3.74Å
153K97.9Very high98.2Very high27 Ų2727.9 Ų27.912%0.11714%0.137CC..SBendtrans-166.3163.3-179.163.7-171175.5-157.20109.5D151 H155 N156 S189 F192 M216D151-K153 VanDerWaalsContact CG-NZ 3.25Å; D151-K153 PolarHBondContact O-N 3.11Å; D151-K153 IonicContact OD1-NZ 2.84Å; D151-K153 PolarHBondContact OD1-NZ 2.85Å; D151-K153 VanDerWaalsContact OD1-NZ 3.13Å; D151-K153 WeakPolarHBondContact OD2-CE 3.38Å; D151-K153 IonicContact OD2-NZ 2.8Å; D151-K153 PolarHBondContact OD2-NZ 2.79Å; K153-H155 HydrophobicContact CD-CB 4.42Å; K153-H155 HydrophobicContact CG-CB 4.24Å; K153-H155 PolarHBondContact O-N 2.88Å; K153-H155 VanDerWaalsContact O-N 3.15Å; K153-N156 VanDerWaalsContact CE-ND2 3.33Å; K153-N156 WeakPolarHBondContact CE-ND2 3.48Å; K153-N156 WeakPolarHBondContact CE-OD1 3.48Å; K153-N156 HydrophobicContact CG-CB 4.17Å; K153-N156 PolarHBondContact O-N 2.93Å; K153-S189 VanDerWaalsContact CD-OG 3.3Å; K153-S189 WeakPolarHBondContact CD-OG 3.43Å; K153-S189 PolarHBondContact NZ-OG 2.77Å; K153-F192 HydrophobicContact CB-CD1 4.24Å; K153-F192 HydrophobicContact CB-CD2 3.64Å; K153-F192 HydrophobicContact CB-CE1 4.25Å; K153-F192 HydrophobicContact CB-CE2 3.64Å; K153-F192 HydrophobicContact CB-CG 3.96Å; K153-F192 HydrophobicContact CB-CZ 3.97Å; K153-M216 WeakPolarHBondContact CA-SD 3.22Å
154P97.9Very high98.1Very high4 Ų430.4 Ų30.43%0.02615%0.146CC..G310 helixtrans-57-36.8-176.9-2636.2000113.6F116 Y120 N156 V157 F192 M216F116-P154 HydrophobicContact CB-CB 4.03Å; F116-P154 HydrophobicContact CD1-CB 3.82Å; F116-P154 HydrophobicContact CD2-CB 3.36Å; F116-P154 HydrophobicContact CD2-CG 4.14Å; F116-P154 HydrophobicContact CE1-CB 4.14Å; F116-P154 HydrophobicContact CE2-CB 3.7Å; F116-P154 HydrophobicContact CE2-CG 4.19Å; F116-P154 HydrophobicContact CG-CB 3.42Å; F116-P154 VanDerWaalsContact CG-CB 3.42Å; F116-P154 HydrophobicContact CZ-CB 4.08Å; Y120-P154 HydrophobicContact CE2-CB 3.84Å; Y120-P154 HydrophobicContact CE2-CG 3.97Å; P154-N156 PolarHBondContact O-N 2.96Å; P154-N156 VanDerWaalsContact O-N 3.17Å; P154-V157 PolarHBondContact O-N 3.37Å; P154-V157 VanDerWaalsContact O-N 3.14Å; P154-F192 HydrophobicContact CG-CE1 4.4Å; P154-F192 HydrophobicContact CG-CZ 4.1Å; P154-M216 HydrophobicContact CB-CE 4.36Å; P154-M216 HydrophobicContact CG-CE 4.06Å; P154-M216 HydrophobicContact CG-CG 4.1Å
155H96.3Very high98Very high98 Ų9834.4 Ų34.445%0.45416%0.16SC..G310 helixtrans-63.2-21.5178.3-65.275.7000114F116 K153 M158F116-H155 AromaticContact CE1-CD2 3.88Å; F116-H155 AromaticContact CE1-CE1 3.33Å; F116-H155 WeakPolarHBondContact CE1-CE1 3.45Å; F116-H155 AromaticContact CE1-CG 3.84Å; F116-H155 AromaticContact CE1-ND1 3.49Å; F116-H155 WeakPolarHBondContact CE1-ND1 3.39Å; F116-H155 AromaticContact CE1-NE2 3.61Å; F116-H155 AromaticContact CZ-CE1 3.42Å; F116-H155 VanDerWaalsContact CZ-CE1 3.42Å; F116-H155 WeakPolarHBondContact CZ-CE1 3.23Å; F116-H155 AromaticContact CZ-ND1 3.78Å; K153-H155 HydrophobicContact CD-CB 4.42Å; K153-H155 HydrophobicContact CG-CB 4.24Å; K153-H155 PolarHBondContact O-N 2.88Å; K153-H155 VanDerWaalsContact O-N 3.15Å; H155-M158 WeakPolarHBondContact O-CE 3.36Å
156N97.6Very high98Very high8 Ų833 Ų334%0.04315%0.154CC..G310 helixtrans-103.211.3-179.2-72.4-0.6000112.3D151 K153 P154 L168 I169D151-N156 PolarHBondContact O-ND2 2.72Å; D151-N156 PolarHBondContact OD2-ND2 3.26Å; K153-N156 VanDerWaalsContact CE-ND2 3.33Å; K153-N156 WeakPolarHBondContact CE-ND2 3.48Å; K153-N156 WeakPolarHBondContact CE-OD1 3.48Å; K153-N156 HydrophobicContact CG-CB 4.17Å; K153-N156 PolarHBondContact O-N 2.93Å; P154-N156 PolarHBondContact O-N 2.96Å; P154-N156 VanDerWaalsContact O-N 3.17Å; N156-L168 WeakPolarHBondContact O-CD1 3.12Å; N156-I169 HydrophobicContact CB-CG1 4.22Å; N156-I169 VanDerWaalsContact O-CG1 3.26Å; N156-I169 WeakPolarHBondContact O-CG1 3.17Å; N156-I169 PolarHBondContact O-N 3.05Å
157V98.5Very high98Very high5 Ų535 Ų353%0.0316%0.161CC..EExtended strand (participates in β ladder)trans-118.7101.2177.8-179.90000108L135 P154 I159 L166 L168 M216L135-V157 HydrophobicContact CD1-CG2 4.01Å; L135-V157 HydrophobicContact CD2-CG2 4Å; P154-V157 PolarHBondContact O-N 3.37Å; P154-V157 VanDerWaalsContact O-N 3.14Å; V157-I159 HydrophobicContact CG1-CD1 4.24Å; V157-I159 HydrophobicContact CG1-CG1 4.11Å; V157-L166 HydrophobicContact CG1-CD1 3.52Å; V157-L166 HydrophobicContact CG1-CD2 4.06Å; V157-L166 HydrophobicContact CG1-CG 3.7Å; V157-L168 HydrophobicContact CG2-CD1 4.32Å; V157-M216 HydrophobicContact CG2-CE 3.94Å
158M97.9Very high98Very high31 Ų3135 Ų3515%0.15316%0.161CC..EExtended strand (participates in β ladder)trans-83.3129.3178.2-59-64.994.500109.7V111 N113 H155 L166 R167 I169V111-M158 HydrophobicContact CB-CB 4.13Å; V111-M158 HydrophobicContact CG1-CB 3.77Å; N113-M158 HydrophobicContact CB-CB 4.26Å; N113-M158 HydrophobicContact CB-SD 3.71Å; N113-M158 VanDerWaalsContact CG-SD 3.53Å; N113-M158 VanDerWaalsContact OD1-CA 3.27Å; N113-M158 WeakPolarHBondContact OD1-CA 3.4Å; H155-M158 WeakPolarHBondContact O-CE 3.36Å; M158-L166 CarbonylContact O-C 3.55Å; M158-L166 WeakPolarHBondContact O-CA 3.46Å; M158-R167 HydrophobicContact CB-CB 4.41Å; M158-R167 PolarHBondContact N-O 3.3Å; M158-R167 PolarHBondContact O-N 2.79Å; M158-I169 HydrophobicContact CB-CG2 4.42Å; M158-I169 HydrophobicContact CE-CD1 3.62Å; M158-I169 HydrophobicContact CE-CG1 4.23Å; M158-I169 HydrophobicContact CG-CB 4.46Å; M158-I169 HydrophobicContact CG-CD1 3.77Å; M158-I169 HydrophobicContact CG-CG1 4.05Å; M158-I169 HydrophobicContact CG-CG2 3.57Å; M158-I169 HydrophobicContact SD-CD1 3.83Å
159I98.5Very high97.9Very high3 Ų336.8 Ų36.82%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-126.7117.6-179.8-61.3173.8000109.9N113 T114 L119 Y120 Y131 V157 H161 K165 L166N113-I159 WeakPolarHBondContact CA-O 3.45Å; N113-I159 PolarHBondContact OD1-N 2.94Å; T114-I159 PolarHBondContact N-O 3.45Å; T114-I159 VanDerWaalsContact N-O 3.08Å; L119-I159 HydrophobicContact CD2-CB 3.78Å; L119-I159 HydrophobicContact CD2-CD1 4.02Å; L119-I159 HydrophobicContact CD2-CG1 4.49Å; L119-I159 HydrophobicContact CD2-CG2 3.66Å; Y120-I159 HydrophobicContact CE1-CD1 4.3Å; Y131-I159 HydrophobicContact CD1-CD1 4.01Å; Y131-I159 HydrophobicContact CD1-CG1 4.28Å; Y131-I159 HydrophobicContact CD1-CG2 4.02Å; Y131-I159 HydrophobicContact CD2-CD1 4.36Å; Y131-I159 HydrophobicContact CE1-CD1 4.5Å; Y131-I159 HydrophobicContact CE1-CG2 3.44Å; Y131-I159 VanDerWaalsContact CE1-CG2 3.44Å; Y131-I159 HydrophobicContact CE2-CG2 4.23Å; Y131-I159 HydrophobicContact CG-CD1 3.95Å; V157-I159 HydrophobicContact CG1-CD1 4.24Å; V157-I159 HydrophobicContact CG1-CG1 4.11Å; I159-H161 HydrophobicContact CG2-CB 4.31Å; I159-K165 WeakPolarHBondContact CA-O 3.48Å; I159-L166 HydrophobicContact CD1-CD1 4.28Å; I159-L166 HydrophobicContact CG1-CD1 4.11Å; I159-L166 HydrophobicContact CG1-CG 4.26Å
160D97.9Very high97.8Very high15 Ų1539.1 Ų39.18%0.0818%0.183CC..EExtended strand (participates in β ladder)trans-88.399.9160-176.5-30.5000107.2V111 N112 E162 L163 R164 K165V111-D160 HydrophobicContact CG1-CB 4.5Å; N112-D160 WeakPolarHBondContact O-CA 3.09Å; D160-E162 PolarHBondContact OD1-N 2.99Å; D160-L163 HydrophobicContact CB-CB 4.45Å; D160-L163 PolarHBondContact OD1-N 3.26Å; D160-L163 WeakPolarHBondContact OD2-CD1 3.34Å; D160-R164 CarbonylContact O-C 3.59Å; D160-R164 VanDerWaalsContact O-CA 3.3Å; D160-R164 WeakPolarHBondContact O-CA 3.16Å; D160-R164 PolarHBondContact O-N 3.26Å; D160-K165 HydrophobicContact CB-CB 4.37Å; D160-K165 PolarHBondContact N-O 3.12Å; D160-K165 PolarHBondContact O-N 2.96Å
161H97.7Very high97.8Very high57 Ų5738.8 Ų38.826%0.26418%0.182SC..THydrogen-bonded Turntrans-73.4-30.5-172.8-169.673.7000112.6L119 Y131 I159 R164L119-H161 HydrophobicContact CD1-CB 3.88Å; L119-H161 HydrophobicContact CD2-CB 4.48Å; Y131-H161 AromaticContact CE2-CE1 3.82Å; Y131-H161 AromaticContact CE2-ND1 3.41Å; Y131-H161 WeakPolarHBondContact CE2-ND1 3.49Å; Y131-H161 AromaticContact CZ-ND1 3.52Å; Y131-H161 WeakPolarHBondContact OH-CA 3.46Å; Y131-H161 PolarHBondContact OH-ND1 3.43Å; I159-H161 HydrophobicContact CG2-CB 4.31Å; H161-R164 PolarHBondContact O-N 2.72Å
162E96.6Very high97.7Very high164 Ų16438.7 Ų38.777%0.76618%0.182SC*.THydrogen-bonded Turntrans-65.7-47.8177.2-176.3179.9179.700110.4D160 R164D160-E162 PolarHBondContact OD1-N 2.99Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.28Å
163L97.1Very high97.6Very high99 Ų9940.2 Ų40.252%0.51819%0.19SC..THydrogen-bonded Turntrans-84.3-4.2177.8-58.7-174.1000113.6D160 K165D160-L163 HydrophobicContact CB-CB 4.45Å; D160-L163 PolarHBondContact OD1-N 3.26Å; D160-L163 WeakPolarHBondContact OD2-CD1 3.34Å; L163-K165 HydrophobicContact CB-CD 4.09Å; L163-K165 HydrophobicContact CB-CG 4.04Å; L163-K165 HydrophobicContact CD1-CD 4.35Å; L163-K165 PolarHBondContact O-N 2.83Å
164R96.9Very high97.7Very high57 Ų5738.9 Ų38.922%0.21518%0.184CC..THydrogen-bonded Turntrans51.439.9-172.4-56.2-171.567.582.80.4113.2D127 Y130 D160 H161 E162D127-R164 IonicContact OD1-CZ 2.72Å; D127-R164 VanDerWaalsContact OD1-CZ 3.28Å; D127-R164 IonicContact OD1-NH1 3.88Å; D127-R164 PolarHBondContact OD1-NH1 3.04Å; D127-R164 IonicContact OD1-NH2 3.99Å; D127-R164 PolarHBondContact OD1-NH2 3.11Å; Y130-R164 HydrophobicContact CE1-CB 3.85Å; Y130-R164 WeakPolarHBondContact CE1-O 3.38Å; Y130-R164 VanDerWaalsContact CG-NH2 3.26Å; Y130-R164 PolarHBondContact OH-O 3.5Å; D160-R164 CarbonylContact O-C 3.59Å; D160-R164 VanDerWaalsContact O-CA 3.3Å; D160-R164 WeakPolarHBondContact O-CA 3.16Å; D160-R164 PolarHBondContact O-N 3.26Å; H161-R164 PolarHBondContact O-N 2.72Å; E162-R164 VanDerWaalsContact C-N 3.29Å; E162-R164 PolarHBondContact O-N 3.28Å
165K97.4Very high97.7Very high111 Ų11139.2 Ų39.248%0.48319%0.185SC..EExtended strand (participates in β ladder)trans-105.3137.8179.9-69.6179.5-177.7172.80111I159 D160 L163I159-K165 WeakPolarHBondContact CA-O 3.48Å; D160-K165 HydrophobicContact CB-CB 4.37Å; D160-K165 PolarHBondContact N-O 3.12Å; D160-K165 PolarHBondContact O-N 2.96Å; L163-K165 HydrophobicContact CB-CD 4.09Å; L163-K165 HydrophobicContact CB-CG 4.04Å; L163-K165 HydrophobicContact CD1-CD 4.35Å; L163-K165 PolarHBondContact O-N 2.83Å
166L98.6Very high97.8Very high1 Ų134.6 Ų34.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-119.7143.2176.9-174.5150.6000110.4N88 Y131 E134 L135 V157 M158 I159N88-L166 HydrophobicContact CB-CD2 4.12Å; N88-L166 WeakPolarHBondContact CB-O 3.14Å; N88-L166 PolarHBondContact OD1-O 3.04Å; Y131-L166 HydrophobicContact CD1-CB 4.47Å; Y131-L166 HydrophobicContact CD1-CD1 4.09Å; Y131-L166 WeakPolarHBondContact O-CD1 3.35Å; E134-L166 HydrophobicContact CB-CB 4.09Å; E134-L166 HydrophobicContact CB-CD1 4.21Å; L135-L166 HydrophobicContact CB-CD1 4.26Å; L135-L166 HydrophobicContact CB-CD2 4.37Å; L135-L166 HydrophobicContact CD1-CD2 4.47Å; V157-L166 HydrophobicContact CG1-CD1 3.52Å; V157-L166 HydrophobicContact CG1-CD2 4.06Å; V157-L166 HydrophobicContact CG1-CG 3.7Å; M158-L166 CarbonylContact O-C 3.55Å; M158-L166 WeakPolarHBondContact O-CA 3.46Å; I159-L166 HydrophobicContact CD1-CD1 4.28Å; I159-L166 HydrophobicContact CG1-CD1 4.11Å; I159-L166 HydrophobicContact CG1-CG 4.26Å
167R98.7Very high97.9Very high41 Ų4134.3 Ų34.316%0.15516%0.162CC..EExtended strand (participates in β ladder)trans-133.1129.8168-68.2-64.1-172.2-91.3-6.5111.3N88 I89 E109 V111 M158 I169N88-R167 CarbonylContact O-C 3.26Å; N88-R167 WeakPolarHBondContact O-CA 3.45Å; I89-R167 WeakPolarHBondContact O-CD 3.16Å; E109-R167 IonicContact OE1-CZ 2.96Å; E109-R167 IonicContact OE1-NE 3.83Å; E109-R167 PolarHBondContact OE1-NE 2.94Å; E109-R167 IonicContact OE1-NH2 3.81Å; E109-R167 IonicContact OE2-CZ 3.75Å; E109-R167 IonicContact OE2-NE 3.11Å; E109-R167 PolarHBondContact OE2-NE 3.48Å; E109-R167 IonicContact OE2-NH2 3.7Å; E109-R167 PolarHBondContact OE2-NH2 3.27Å; E109-R167 VanDerWaalsContact OE2-NH2 3.11Å; V111-R167 HydrophobicContact CG2-CB 4.18Å; V111-R167 HydrophobicContact CG2-CG 3.78Å; M158-R167 HydrophobicContact CB-CB 4.41Å; M158-R167 PolarHBondContact N-O 3.3Å; M158-R167 PolarHBondContact O-N 2.79Å; R167-I169 HydrophobicContact CB-CG2 4.35Å
168L98.8Very high97.9Very high0 Ų035.6 Ų35.60%017%0.168CC..EExtended strand (participates in β ladder)trans-82.4121.6165.5-177.959.2000109.2N88 V90 L135 A138 L139 N156 V157 W171N88-L168 PolarHBondContact O-N 3.33Å; V90-L168 PolarHBondContact N-O 3.25Å; L135-L168 HydrophobicContact CD1-CB 4.43Å; L135-L168 HydrophobicContact CD1-CD1 4.09Å; L135-L168 HydrophobicContact CD1-CD2 4.34Å; A138-L168 HydrophobicContact CB-CB 4.07Å; A138-L168 HydrophobicContact CB-CD2 4.17Å; L139-L168 HydrophobicContact CD2-CD2 3.92Å; N156-L168 WeakPolarHBondContact O-CD1 3.12Å; V157-L168 HydrophobicContact CG2-CD1 4.32Å; L168-W171 HydrophobicContact CB-CZ2 4.32Å; L168-W171 HydrophobicContact CD2-CH2 3.89Å; L168-W171 HydrophobicContact CD2-CZ2 3.71Å; L168-W171 HydrophobicContact CG-CZ2 3.89Å; L168-W171 PolarHBondContact O-NE1 3.14Å
169I98.1Very high97.9Very high39 Ų3936.3 Ų36.320%0.218%0.175CC..  trans-117.6176-174.867.4157.2000112.2V90 H149 N156 M158 R167V90-I169 HydrophobicContact CB-CG2 3.91Å; V90-I169 HydrophobicContact CG1-CB 4.44Å; V90-I169 HydrophobicContact CG1-CG2 4.22Å; V90-I169 HydrophobicContact CG2-CG2 4.1Å; H149-I169 PolarHBondContact NE2-O 2.82Å; H149-I169 VanDerWaalsContact NE2-O 3.07Å; N156-I169 HydrophobicContact CB-CG1 4.22Å; N156-I169 VanDerWaalsContact O-CG1 3.26Å; N156-I169 WeakPolarHBondContact O-CG1 3.17Å; N156-I169 PolarHBondContact O-N 3.05Å; M158-I169 HydrophobicContact CB-CG2 4.42Å; M158-I169 HydrophobicContact CE-CD1 3.62Å; M158-I169 HydrophobicContact CE-CG1 4.23Å; M158-I169 HydrophobicContact CG-CB 4.46Å; M158-I169 HydrophobicContact CG-CD1 3.77Å; M158-I169 HydrophobicContact CG-CG1 4.05Å; M158-I169 HydrophobicContact CG-CG2 3.57Å; M158-I169 HydrophobicContact SD-CD1 3.83Å; R167-I169 HydrophobicContact CB-CG2 4.35Å
170D96.4Very high97.9Very high48 Ų4838 Ų3826%0.25719%0.193SC..  trans59.267174.7-161.813.9000115.5K63 G172K63-D170 IonicContact NZ-OD1 3.47Å; K63-D170 PolarHBondContact NZ-OD1 3.23Å; D170-G172 PolarHBondContact O-N 3.41Å; D170-G172 VanDerWaalsContact O-N 3.17Å
171W98Very high97.9Very high1 Ų140.8 Ų40.80%0.00421%0.205CC..G310 helixtrans-78.712177.9-63.481.2000113.9I79 L80 L83 I89 C142 I147 H149 L168 L173 A174I79-W171 HydrophobicContact CG2-CB 4.2Å; I79-W171 HydrophobicContact CG2-CD2 4.2Å; I79-W171 HydrophobicContact CG2-CE3 3.65Å; I79-W171 HydrophobicContact CG2-CG 4.45Å; I79-W171 HydrophobicContact CG2-CZ3 4.45Å; L80-W171 HydrophobicContact CD2-CB 4.16Å; L80-W171 VanDerWaalsContact CD2-CD1 3.46Å; L80-W171 HydrophobicContact CD2-CG 3.87Å; L80-W171 HydrophobicContact CG-CB 4.21Å; L80-W171 HydrophobicContact CG-CG 4.41Å; L83-W171 HydrophobicContact CD1-CD2 4.03Å; L83-W171 HydrophobicContact CD1-CE3 3.51Å; L83-W171 HydrophobicContact CD1-CH2 3.44Å; L83-W171 VanDerWaalsContact CD1-CH2 3.44Å; L83-W171 HydrophobicContact CD1-CZ2 3.95Å; L83-W171 HydrophobicContact CD1-CZ3 3.19Å; I89-W171 HydrophobicContact CD1-CH2 3.81Å; I89-W171 HydrophobicContact CD1-CZ2 3.5Å; I89-W171 VanDerWaalsContact CD1-CZ2 3.5Å; I89-W171 HydrophobicContact CG2-CZ2 3.98Å; C142-W171 HydrophobicContact CB-CH2 3.53Å; C142-W171 HydrophobicContact CB-CZ3 3.75Å; I147-W171 HydrophobicContact CG2-CE3 4.36Å; I147-W171 HydrophobicContact CG2-CZ3 4.07Å; H149-W171 HydrophobicContact CB-CZ3 4.29Å; H149-W171 AromaticContact CD2-CD2 3.73Å; H149-W171 AromaticContact CD2-CE2 3.83Å; H149-W171 AromaticContact CD2-CE3 3.63Å; H149-W171 AromaticContact CD2-CH2 3.78Å; H149-W171 AromaticContact CD2-CZ2 3.86Å; H149-W171 AromaticContact CD2-CZ3 3.66Å; L168-W171 HydrophobicContact CB-CZ2 4.32Å; L168-W171 HydrophobicContact CD2-CH2 3.89Å; L168-W171 HydrophobicContact CD2-CZ2 3.71Å; L168-W171 HydrophobicContact CG-CZ2 3.89Å; L168-W171 PolarHBondContact O-NE1 3.14Å; W171-L173 PolarHBondContact O-N 2.99Å; W171-A174 HydrophobicContact CB-CB 4.26Å; W171-A174 HydrophobicContact CE3-CB 3.74Å; W171-A174 VanDerWaalsContact O-CB 3.27Å; W171-A174 WeakPolarHBondContact O-CB 3.45Å; W171-A174 PolarHBondContact O-N 2.9Å; W171-A174 VanDerWaalsContact O-N 3.08Å
172G96.5Very high97.9Very high4 Ų444.8 Ų44.84%0.04122%0.224CC..G310 helixtrans-67.5-19.9-175.800000114.8K72 R75 E76 D170K72-G172 WeakPolarHBondContact CE-O 3.25Å; R75-G172 PolarHBondContact NH2-O 3.27Å; E76-G172 VanDerWaalsContact CD-CA 3.4Å; E76-G172 VanDerWaalsContact OE2-CA 3.23Å; E76-G172 WeakPolarHBondContact OE2-CA 3.36Å; D170-G172 PolarHBondContact O-N 3.41Å; D170-G172 VanDerWaalsContact O-N 3.17Å
173L97.3Very high98Very high31 Ų3137.3 Ų37.316%0.16219%0.188CC..G310 helixtrans-100.4-7.8172.9-65.9-175.8000113.8H149 R150 D151 W171H149-L173 CarbonylContact O-C 3.56Å; R150-L173 VanDerWaalsContact CZ-O 3.24Å; R150-L173 PolarHBondContact NE-O 3.17Å; R150-L173 PolarHBondContact NH2-O 3.19Å; D151-L173 HydrophobicContact CB-CB 4.2Å; D151-L173 HydrophobicContact CB-CD1 3.87Å; W171-L173 PolarHBondContact O-N 2.99Å
174A98.6Very high98Very high0 Ų037.3 Ų37.30%019%0.189CC..  trans-61.4159.4179.600000112.3R75 I79 I147 M148 H149 W171R75-A174 WeakPolarHBondContact CD-O 3.41Å; R75-A174 PolarHBondContact NE-O 3.06Å; I79-A174 HydrophobicContact CD1-CB 3.69Å; I79-A174 HydrophobicContact CG2-CB 4.15Å; I147-A174 HydrophobicContact CG2-CB 4.22Å; M148-A174 CarbonylContact O-C 3.44Å; M148-A174 WeakPolarHBondContact O-CA 3.46Å; M148-A174 VanDerWaalsContact O-CB 3.27Å; M148-A174 WeakPolarHBondContact O-CB 3.48Å; H149-A174 VanDerWaalsContact O-CA 3.28Å; H149-A174 WeakPolarHBondContact O-CA 3.39Å; H149-A174 PolarHBondContact O-N 3.45Å; W171-A174 HydrophobicContact CB-CB 4.26Å; W171-A174 HydrophobicContact CE3-CB 3.74Å; W171-A174 VanDerWaalsContact O-CB 3.27Å; W171-A174 WeakPolarHBondContact O-CB 3.45Å; W171-A174 PolarHBondContact O-N 2.9Å; W171-A174 VanDerWaalsContact O-N 3.08Å
175E98.8Very high98.1Very high10 Ų1035.5 Ų35.55%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-155151.9-177.7-170.361.4-94.200112.3Y21 R75 I147 M148 R150 Y183Y21-E175 WeakPolarHBondContact CE1-OE1 3.49Å; Y21-E175 PolarHBondContact OH-OE1 3.41Å; R75-E175 WeakPolarHBondContact CD-OE1 3.43Å; R75-E175 VanDerWaalsContact CD-OE2 3.3Å; R75-E175 WeakPolarHBondContact CD-OE2 3.46Å; R75-E175 IonicContact CZ-OE2 2.63Å; R75-E175 IonicContact NE-OE2 3.55Å; R75-E175 IonicContact NH1-OE2 3.1Å; R75-E175 PolarHBondContact NH1-OE2 3.17Å; I147-E175 WeakPolarHBondContact CA-O 3.26Å; M148-E175 HydrophobicContact CE-CB 4.49Å; M148-E175 PolarHBondContact N-O 2.85Å; M148-E175 PolarHBondContact O-N 2.86Å; R150-E175 VanDerWaalsContact CZ-CB 3.46Å; R150-E175 IonicContact NH2-OE2 3.29Å; E175-Y183 HydrophobicContact CG-CD1 3.89Å; E175-Y183 HydrophobicContact CG-CE1 3.59Å
176F98.8Very high98Very high1 Ų140.5 Ų40.50%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-74.3129171.6-66.6-85.6000111Y18 W19 Y21 K78 I79 N82 G146 I147 Y183Y18-F176 HydrophobicContact CD1-CE1 4.22Å; Y18-F176 HydrophobicContact CE1-CD1 4.44Å; Y18-F176 AromaticContact CE1-CE1 3.99Å; Y18-F176 HydrophobicContact CE1-CE1 3.99Å; W19-F176 HydrophobicContact CB-CB 4.19Å; W19-F176 HydrophobicContact CB-CD1 3.69Å; W19-F176 HydrophobicContact CB-CD2 4.33Å; W19-F176 HydrophobicContact CB-CE1 4.12Å; W19-F176 HydrophobicContact CB-CG 3.81Å; Y21-F176 AromaticContact CD1-CD2 3.72Å; Y21-F176 HydrophobicContact CD1-CD2 3.72Å; Y21-F176 AromaticContact CD1-CE2 3.78Å; Y21-F176 HydrophobicContact CD1-CE2 3.78Å; Y21-F176 HydrophobicContact CE1-CD2 4.06Å; K78-F176 HydrophobicContact CG-CE2 4.31Å; K78-F176 HydrophobicContact CG-CZ 4.04Å; I79-F176 HydrophobicContact CD1-CD2 4.34Å; I79-F176 HydrophobicContact CD1-CE2 4.09Å; I79-F176 HydrophobicContact CG1-CD2 4.18Å; I79-F176 HydrophobicContact CG1-CE1 4.43Å; I79-F176 HydrophobicContact CG1-CE2 3.48Å; I79-F176 VanDerWaalsContact CG1-CE2 3.48Å; I79-F176 HydrophobicContact CG1-CZ 3.63Å; N82-F176 WeakPolarHBondContact ND2-CE1 3.13Å; G146-F176 CarbonylContact O-C 3.54Å; G146-F176 WeakPolarHBondContact O-CA 3.39Å; I147-F176 HydrophobicContact CD1-CD1 4.34Å; I147-F176 HydrophobicContact CD1-CE1 3.79Å; I147-F176 HydrophobicContact CD1-CZ 4.32Å; I147-F176 HydrophobicContact CG1-CD1 3.72Å; I147-F176 HydrophobicContact CG1-CE1 3.69Å; I147-F176 HydrophobicContact CG1-CG 4.45Å; I147-F176 HydrophobicContact CG1-CZ 4.4Å; F176-Y183 PolarHBondContact O-OH 3.27Å
177Y98.8Very high98Very high2 Ų240.9 Ų40.91%0.00820%0.202CC..  trans-76.2133173.6-179.2-99.5000111.3A4 A8 N11 G146 M148 P179 Y183 D205 Y206A4-Y177 HydrophobicContact CB-CD1 4.46Å; A4-Y177 HydrophobicContact CB-CE1 3.77Å; A4-Y177 HydrophobicContact CB-CE2 4.32Å; A4-Y177 PolarHBondContact N-OH 3.2Å; A8-Y177 HydrophobicContact CB-CE1 4.11Å; A8-Y177 WeakPolarHBondContact O-CE1 3.39Å; N11-Y177 PolarHBondContact ND2-N 3.15Å; N11-Y177 PolarHBondContact ND2-O 2.98Å; G146-Y177 PolarHBondContact O-N 2.85Å; M148-Y177 HydrophobicContact CE-CD2 4.14Å; M148-Y177 HydrophobicContact SD-CD2 4.13Å; Y177-P179 HydrophobicContact CE1-CB 4.36Å; Y177-Y183 WeakPolarHBondContact CA-OH 3.43Å; Y177-Y183 HydrophobicContact CD2-CE2 4.27Å; Y177-D205 HydrophobicContact CD2-CB 3.86Å; Y177-D205 HydrophobicContact CE2-CB 3.39Å; Y177-Y206 VanDerWaalsContact CB-CZ 3.43Å; Y177-Y206 VanDerWaalsContact CB-OH 3.29Å; Y177-Y206 WeakPolarHBondContact CB-OH 3.44Å; Y177-Y206 AromaticContact CD1-CE2 3.78Å; Y177-Y206 HydrophobicContact CD1-CE2 3.78Å; Y177-Y206 AromaticContact CD1-CZ 3.6Å; Y177-Y206 WeakPolarHBondContact CD1-OH 3.11Å; Y177-Y206 HydrophobicContact CE1-CE2 4.3Å; Y177-Y206 HydrophobicContact CG-CE1 4.06Å; Y177-Y206 AromaticContact CG-CE2 3.91Å; Y177-Y206 HydrophobicContact CG-CE2 3.91Å; Y177-Y206 AromaticContact CG-CZ 3.55Å
178H98.6Very high97.8Very high32 Ų3239.7 Ų39.715%0.14820%0.201CC..  trans-137.2130.3171.9-67-84.9000107.4W19 G180 K181 Y183W19-H178 AromaticContact CD2-CE1 3.48Å; W19-H178 VanDerWaalsContact CD2-CE1 3.48Å; W19-H178 AromaticContact CD2-NE2 3.9Å; W19-H178 AromaticContact CE2-CE1 3.87Å; W19-H178 AromaticContact CE3-CE1 3.75Å; W19-H178 AromaticContact CE3-NE2 3.83Å; W19-H178 AromaticContact CG-CE1 3.67Å; H178-G180 PolarHBondContact O-N 2.93Å; H178-K181 HydrophobicContact CB-CB 4.02Å; H178-K181 HydrophobicContact CB-CD 4.2Å; H178-K181 VanDerWaalsContact O-CB 3.32Å; H178-K181 WeakPolarHBondContact O-CB 3.3Å; H178-K181 PolarHBondContact O-N 2.95Å; H178-K181 VanDerWaalsContact O-N 3.17Å; H178-Y183 PolarHBondContact N-OH 3.46Å
179P98.3Very high97.7Very high46 Ų4641.5 Ų41.530%0.29921%0.213SC..THydrogen-bonded Turntrans-62.7134.3-17725.9-32.4000110.6K3 A8 V12 Y177 K181K3-P179 HydrophobicContact CD-CB 4.4Å; K3-P179 HydrophobicContact CG-CB 4.31Å; A8-P179 WeakPolarHBondContact O-CD 3.36Å; V12-P179 HydrophobicContact CG2-CG 4.09Å; Y177-P179 HydrophobicContact CE1-CB 4.36Å; P179-K181 PolarHBondContact O-N 2.93Å
180G97.3Very high97.7Very high39 Ų3943.8 Ų43.840%0.40222%0.22SC..THydrogen-bonded Turntrans75.51-178.700000115.5H178H178-G180 PolarHBondContact O-N 2.93Å
181K98Very high97.8Very high74 Ų7444.3 Ų44.332%0.32222%0.218SC..  trans-76130.8174.9177.8170.2171.3-1770110.5H178 P179 Y183H178-K181 HydrophobicContact CB-CB 4.02Å; H178-K181 HydrophobicContact CB-CD 4.2Å; H178-K181 VanDerWaalsContact O-CB 3.32Å; H178-K181 WeakPolarHBondContact O-CB 3.3Å; H178-K181 PolarHBondContact O-N 2.95Å; H178-K181 VanDerWaalsContact O-N 3.17Å; P179-K181 PolarHBondContact O-N 2.93Å; K181-Y183 HydrophobicContact CB-CE2 4Å; K181-Y183 HydrophobicContact CD-CD1 4.4Å; K181-Y183 HydrophobicContact CD-CE1 3.66Å; K181-Y183 HydrophobicContact CG-CD1 4.41Å; K181-Y183 HydrophobicContact CG-CE1 3.97Å; K181-Y183 HydrophobicContact CG-CE2 4.13Å; K181-Y183 WeakPolarHBondContact O-CD2 3.41Å; K181-Y183 WeakPolarHBondContact O-CE2 3.31Å
182E98.3Very high97.9Very high141 Ų14144.9 Ų44.966%0.65922%0.221SC*.  trans-81.3130.1168.8-67.3178.717100110.7Q202E182-Q202 HydrophobicContact CB-CB 3.87Å; E182-Q202 HydrophobicContact CG-CB 4.12Å
183Y98.3Very high98Very high7 Ų745.3 Ų45.33%0.02722%0.222CC..  trans-113.8147-177.9-64.2-80.9000111.6M148 E175 F176 Y177 H178 K181 V185 Q202 Y204M148-Y183 HydrophobicContact CE-CD1 4.22Å; M148-Y183 HydrophobicContact CE-CD2 4.28Å; M148-Y183 HydrophobicContact CE-CE1 3.81Å; M148-Y183 HydrophobicContact CE-CE2 3.9Å; M148-Y183 HydrophobicContact CE-CG 4.44Å; E175-Y183 HydrophobicContact CG-CD1 3.89Å; E175-Y183 HydrophobicContact CG-CE1 3.59Å; F176-Y183 PolarHBondContact O-OH 3.27Å; Y177-Y183 WeakPolarHBondContact CA-OH 3.43Å; Y177-Y183 HydrophobicContact CD2-CE2 4.27Å; H178-Y183 PolarHBondContact N-OH 3.46Å; K181-Y183 HydrophobicContact CB-CE2 4Å; K181-Y183 HydrophobicContact CD-CD1 4.4Å; K181-Y183 HydrophobicContact CD-CE1 3.66Å; K181-Y183 HydrophobicContact CG-CD1 4.41Å; K181-Y183 HydrophobicContact CG-CE1 3.97Å; K181-Y183 HydrophobicContact CG-CE2 4.13Å; K181-Y183 WeakPolarHBondContact O-CD2 3.41Å; K181-Y183 WeakPolarHBondContact O-CE2 3.31Å; Y183-V185 PolarHBondContact O-N 3.37Å; Y183-Q202 PolarHBondContact N-O 3.26Å; Y183-Y204 WeakPolarHBondContact CB-OH 3.49Å; Y183-Y204 HydrophobicContact CG-CE2 4.38Å
184N97.7Very high98.1Very high99 Ų9943.9 Ų43.953%0.52921%0.214SC..  trans-60.1125173-170.6-28.8000111.4R186 Y204N184-R186 VanDerWaalsContact C-N 3.33Å; N184-R186 WeakPolarHBondContact OD1-CA 3.35Å; N184-R186 WeakPolarHBondContact OD1-CB 3.34Å; N184-R186 WeakPolarHBondContact OD1-CG 3.43Å; N184-R186 PolarHBondContact OD1-N 3.35Å; N184-Y204 PolarHBondContact O-OH 3.31Å
185V97.7Very high98.1Very high18 Ų1843.9 Ų43.911%0.10921%0.214CC..SBendtrans-78.6-11.4177.8-59.40000114.9Y183 V187 K193 L197 D200 Q202 Y204Y183-V185 PolarHBondContact O-N 3.37Å; V185-V187 PolarHBondContact O-N 2.95Å; V185-K193 PolarHBondContact O-NZ 2.88Å; V185-L197 HydrophobicContact CB-CB 4.3Å; V185-L197 HydrophobicContact CB-CD2 4.1Å; V185-L197 HydrophobicContact CG1-CD2 4.25Å; V185-D200 WeakPolarHBondContact CG1-OD1 3.39Å; V185-D200 WeakPolarHBondContact CG2-OD1 3.39Å; V185-Q202 HydrophobicContact CG1-CG 3.99Å; V185-Y204 HydrophobicContact CG1-CE1 4.31Å
186R97Very high98Very high217 Ų21743.4 Ų43.482%0.81921%0.212SC*.  trans-79.643.9179-55.2-175.5-176.6-171.11.2112.2N184N184-R186 VanDerWaalsContact C-N 3.33Å; N184-R186 WeakPolarHBondContact OD1-CA 3.35Å; N184-R186 WeakPolarHBondContact OD1-CB 3.34Å; N184-R186 WeakPolarHBondContact OD1-CG 3.43Å; N184-R186 PolarHBondContact OD1-N 3.35Å
187V97Very high98Very high9 Ų943.7 Ų43.76%0.05521%0.214CC..  trans-114.2174.3174.9-62.10000110.6R150 V185 K193 L197 Y204 L208R150-V187 HydrophobicContact CB-CB 4.29Å; R150-V187 HydrophobicContact CB-CG2 4.19Å; V185-V187 PolarHBondContact O-N 2.95Å; V187-K193 PolarHBondContact O-NZ 3.08Å; V187-L197 HydrophobicContact CG2-CD1 3.83Å; V187-L197 HydrophobicContact CG2-CD2 4.11Å; V187-Y204 WeakPolarHBondContact CG2-OH 3.47Å; V187-L208 HydrophobicContact CG2-CD2 4.31Å
188A96.3Very high98Very high15 Ų1544.4 Ų44.412%0.12422%0.217CC..SBendtrans58.9160.8-172.900000115.3R150 D151 K193 L197R150-A188 WeakPolarHBondContact O-CA 3.41Å; R150-A188 WeakPolarHBondContact O-CB 3.36Å; R150-A188 PolarHBondContact O-N 3.17Å; D151-A188 WeakPolarHBondContact OD1-CA 3.49Å; A188-K193 HydrophobicContact CB-CG 4.18Å; A188-L197 HydrophobicContact CB-CD1 4.16Å
189S96.3Very high98Very high38 Ų3843.4 Ų43.427%0.26621%0.214SC..  trans-83.4143.2171.4-57.10000110.4D151 K153 Y191 F192 K193D151-S189 PolarHBondContact OD1-N 2.91Å; D151-S189 VanDerWaalsContact OD1-N 3.13Å; D151-S189 PolarHBondContact OD1-OG 2.77Å; D151-S189 VanDerWaalsContact OD1-OG 3.07Å; K153-S189 VanDerWaalsContact CD-OG 3.3Å; K153-S189 WeakPolarHBondContact CD-OG 3.43Å; K153-S189 PolarHBondContact NZ-OG 2.77Å; S189-Y191 VanDerWaalsContact C-N 3.33Å; S189-Y191 PolarHBondContact O-N 2.94Å; S189-Y191 VanDerWaalsContact O-N 3.08Å; S189-F192 PolarHBondContact O-N 2.82Å; S189-K193 PolarHBondContact O-N 3.09Å
190R98.3Very high97.9Very high88 Ų8845.6 Ų45.633%0.33222%0.223SC..G310 helixtrans-42.4-52.4-167.6-173.2-169.7-61.5131.8-3.8114.5F192 K193 G230 H231 D232 Q236R190-F192 PolarHBondContact O-N 3.47Å; R190-F192 VanDerWaalsContact O-N 3.13Å; R190-K193 WeakPolarHBondContact O-CB 3.31Å; R190-K193 PolarHBondContact O-N 3.14Å; R190-G230 WeakPolarHBondContact CD-O 3.26Å; R190-H231 PolarHBondContact NH1-O 2.83Å; R190-H231 PolarHBondContact NH2-O 2.73Å; R190-D232 WeakPolarHBondContact CD-O 3.49Å; R190-Q236 HydrophobicContact CG-CB 4.15Å; R190-Q236 HydrophobicContact CG-CG 4.21Å
191Y98.7Very high97.9Very high58 Ų5844.5 Ų44.523%0.22721%0.208CC..G310 helixtrans-67.8-13.8-173.9-48.1-45.1000114.7S189 P226 F228 Y229 G230S189-Y191 VanDerWaalsContact C-N 3.33Å; S189-Y191 PolarHBondContact O-N 2.94Å; S189-Y191 VanDerWaalsContact O-N 3.08Å; Y191-P226 HydrophobicContact CD1-CB 4.32Å; Y191-P226 HydrophobicContact CD1-CG 3.97Å; Y191-P226 HydrophobicContact CD2-CB 3.72Å; Y191-P226 HydrophobicContact CD2-CG 3.56Å; Y191-P226 HydrophobicContact CE1-CG 4.26Å; Y191-P226 HydrophobicContact CE2-CG 3.87Å; Y191-P226 HydrophobicContact CG-CB 3.62Å; Y191-P226 HydrophobicContact CG-CG 3.63Å; Y191-F228 WeakPolarHBondContact CD1-O 3.17Å; Y191-Y229 HydrophobicContact CD1-CD2 4.22Å; Y191-Y229 AromaticContact CE1-CD2 3.53Å; Y191-Y229 HydrophobicContact CE1-CD2 3.53Å; Y191-Y229 AromaticContact CE1-CE2 3.94Å; Y191-Y229 HydrophobicContact CE1-CE2 3.94Å; Y191-Y229 HydrophobicContact CE2-CD2 4.35Å; Y191-Y229 HydrophobicContact CE2-CE2 4.34Å; Y191-Y229 AromaticContact CZ-CD2 3.62Å; Y191-Y229 AromaticContact CZ-CE2 3.59Å; Y191-Y229 VanDerWaalsContact OH-CE2 3.24Å; Y191-Y229 WeakPolarHBondContact OH-CE2 3.38Å; Y191-G230 WeakPolarHBondContact CE1-O 3.27Å
192F98.7Very high97.9Very high14 Ų1444 Ų446%0.06121%0.207CC..G310 helixtrans-113.22.2-177.3-53.8-82.6000112.2K153 P154 S189 R190 G194 S212 C215 M216K153-F192 HydrophobicContact CB-CD1 4.24Å; K153-F192 HydrophobicContact CB-CD2 3.64Å; K153-F192 HydrophobicContact CB-CE1 4.25Å; K153-F192 HydrophobicContact CB-CE2 3.64Å; K153-F192 HydrophobicContact CB-CG 3.96Å; K153-F192 HydrophobicContact CB-CZ 3.97Å; P154-F192 HydrophobicContact CG-CE1 4.4Å; P154-F192 HydrophobicContact CG-CZ 4.1Å; S189-F192 PolarHBondContact O-N 2.82Å; R190-F192 PolarHBondContact O-N 3.47Å; R190-F192 VanDerWaalsContact O-N 3.13Å; F192-G194 PolarHBondContact O-N 2.72Å; F192-S212 PolarHBondContact O-OG 2.93Å; F192-C215 HydrophobicContact CD1-CB 3.81Å; F192-C215 HydrophobicContact CE1-CB 4.3Å; F192-M216 HydrophobicContact CD1-CG 3.97Å; F192-M216 HydrophobicContact CE1-CG 3.61Å
193K98.8Very high97.9Very high13 Ų1338.3 Ų38.36%0.05718%0.18CC..  trans-65.1127175.2-73.5180169.4-73.40110.1V185 V187 A188 S189 R190 L197 L198 W211V185-K193 PolarHBondContact O-NZ 2.88Å; V187-K193 PolarHBondContact O-NZ 3.08Å; A188-K193 HydrophobicContact CB-CG 4.18Å; S189-K193 PolarHBondContact O-N 3.09Å; R190-K193 WeakPolarHBondContact O-CB 3.31Å; R190-K193 PolarHBondContact O-N 3.14Å; K193-L197 HydrophobicContact CB-CB 4.37Å; K193-L197 HydrophobicContact CB-CD1 4.21Å; K193-L197 HydrophobicContact CG-CD1 4.05Å; K193-L198 HydrophobicContact CB-CD2 3.94Å; K193-L198 HydrophobicContact CB-CG 4.17Å; K193-L198 HydrophobicContact CD-CD2 3.73Å; K193-W211 PolarHBondContact O-NE1 2.68Å
194G98.7Very high97.9Very high0 Ų038 Ų380%018%0.179CC..  trans-64.7152.5167.400000111.9F192 E196 L197 L198F192-G194 PolarHBondContact O-N 2.72Å; G194-E196 VanDerWaalsContact CA-OE2 3.28Å; G194-E196 WeakPolarHBondContact CA-OE2 3.22Å; G194-E196 PolarHBondContact O-N 3.04Å; G194-L197 WeakPolarHBondContact O-CB 3.32Å; G194-L197 PolarHBondContact O-N 2.78Å; G194-L198 PolarHBondContact O-N 2.65Å
195P98.7Very high98Very high0 Ų033.6 Ų33.60%016%0.156CC..Hα-helixtrans-48.9-39.4174.1-30.137.1000113L197 L198 V199 W211 Y252 Y302P195-L197 PolarHBondContact O-N 3.43Å; P195-L197 VanDerWaalsContact O-N 3.14Å; P195-L198 CarbonylContact O-C 3.6Å; P195-L198 WeakPolarHBondContact O-CA 3.45Å; P195-L198 PolarHBondContact O-N 2.66Å; P195-V199 WeakPolarHBondContact O-CG2 3.25Å; P195-V199 PolarHBondContact O-N 2.99Å; P195-W211 HydrophobicContact CG-CD2 4.44Å; P195-W211 HydrophobicContact CG-CE3 4.17Å; P195-W211 HydrophobicContact CG-CH2 3.72Å; P195-W211 HydrophobicContact CG-CZ2 4.03Å; P195-W211 HydrophobicContact CG-CZ3 3.8Å; P195-Y252 HydrophobicContact CB-CE1 4.38Å; P195-Y302 HydrophobicContact CB-CD1 3.89Å; P195-Y302 HydrophobicContact CG-CD1 3.72Å; P195-Y302 HydrophobicContact CG-CE1 4.26Å
196E98.7Very high98Very high0 Ų033 Ų330%015%0.151CC..Hα-helixtrans-53.2-36177.160.2-91.5-133.100112.6G194 D200 L201 Y204 L208 R307G194-E196 VanDerWaalsContact CA-OE2 3.28Å; G194-E196 WeakPolarHBondContact CA-OE2 3.22Å; G194-E196 PolarHBondContact O-N 3.04Å; E196-D200 PolarHBondContact O-N 3.48Å; E196-L201 HydrophobicContact CB-CB 4.07Å; E196-L201 HydrophobicContact CB-CD2 4.31Å; E196-L201 PolarHBondContact O-N 3.29Å; E196-Y204 HydrophobicContact CG-CG 4.37Å; E196-L208 HydrophobicContact CG-CD1 4.3Å; E196-L208 WeakPolarHBondContact OE1-CA 3.47Å; E196-R307 IonicContact OE1-CZ 2.87Å; E196-R307 IonicContact OE1-NH1 2.78Å; E196-R307 PolarHBondContact OE1-NH1 2.87Å; E196-R307 IonicContact OE1-NH2 2.72Å; E196-R307 IonicContact OE2-CZ 3.81Å; E196-R307 IonicContact OE2-NH1 3.83Å; E196-R307 PolarHBondContact OE2-NH1 2.81Å; E196-R307 IonicContact OE2-NH2 2.72Å; E196-R307 PolarHBondContact OE2-NH2 2.98Å
197L98.5Very high98.1Very high8 Ų823.1 Ų23.14%0.04212%0.116CC..Hα-helixtrans-78.9-23.9178.3-53.3-173.1000113.1V185 V187 A188 K193 G194 P195 Y204 L208V185-L197 HydrophobicContact CB-CB 4.3Å; V185-L197 HydrophobicContact CB-CD2 4.1Å; V185-L197 HydrophobicContact CG1-CD2 4.25Å; V187-L197 HydrophobicContact CG2-CD1 3.83Å; V187-L197 HydrophobicContact CG2-CD2 4.11Å; A188-L197 HydrophobicContact CB-CD1 4.16Å; K193-L197 HydrophobicContact CB-CB 4.37Å; K193-L197 HydrophobicContact CB-CD1 4.21Å; K193-L197 HydrophobicContact CG-CD1 4.05Å; G194-L197 WeakPolarHBondContact O-CB 3.32Å; G194-L197 PolarHBondContact O-N 2.78Å; P195-L197 PolarHBondContact O-N 3.43Å; P195-L197 VanDerWaalsContact O-N 3.14Å; L197-Y204 HydrophobicContact CD2-CD1 3.82Å; L197-Y204 HydrophobicContact CD2-CE1 3.52Å; L197-Y204 HydrophobicContact CD2-CE2 4.47Å; L197-Y204 HydrophobicContact CD2-CG 4.41Å; L197-L208 HydrophobicContact CD1-CD1 3.7Å; L197-L208 HydrophobicContact CD1-CD2 4.07Å; L197-L208 HydrophobicContact CD2-CD1 4.28Å; L197-L208 HydrophobicContact CD2-CD2 4.12Å; L197-L208 HydrophobicContact CG-CD1 3.79Å; L197-L208 HydrophobicContact CG-CD2 4.4Å
198L98.2Very high98.2Very high17 Ų1722.7 Ų22.79%0.08911%0.113CC..Hα-helixtrans-89.3-21.4-177.1-58.8175.8000111.9K193 G194 P195 N233 Q236 L237 I240K193-L198 HydrophobicContact CB-CD2 3.94Å; K193-L198 HydrophobicContact CB-CG 4.17Å; K193-L198 HydrophobicContact CD-CD2 3.73Å; G194-L198 PolarHBondContact O-N 2.65Å; P195-L198 CarbonylContact O-C 3.6Å; P195-L198 WeakPolarHBondContact O-CA 3.45Å; P195-L198 PolarHBondContact O-N 2.66Å; L198-N233 HydrophobicContact CD2-CB 4.1Å; L198-Q236 HydrophobicContact CD1-CB 4.17Å; L198-Q236 HydrophobicContact CD1-CG 3.8Å; L198-Q236 HydrophobicContact CD2-CB 4.28Å; L198-Q236 HydrophobicContact CD2-CG 4.32Å; L198-L237 HydrophobicContact CB-CB 4.3Å; L198-L237 HydrophobicContact CB-CD1 4.43Å; L198-L237 HydrophobicContact CD1-CB 4.17Å; L198-L237 HydrophobicContact CD1-CD1 4.44Å; L198-I240 HydrophobicContact CD1-CD1 3.63Å
199V97.7Very high98.3Very high11 Ų1122 Ų227%0.06711%0.108CC..THydrogen-bonded Turntrans-10911.7176.4-49.90000113P195 L201 L237 Y252 L253 I258 L260P195-V199 WeakPolarHBondContact O-CG2 3.25Å; P195-V199 PolarHBondContact O-N 2.99Å; V199-L201 HydrophobicContact CG2-CB 4.44Å; V199-L201 PolarHBondContact O-N 3.1Å; V199-L237 HydrophobicContact CG1-CD1 4.32Å; V199-L237 HydrophobicContact CG1-CD2 3.84Å; V199-Y252 HydrophobicContact CG2-CE1 3.9Å; V199-L253 HydrophobicContact CB-CD2 4.11Å; V199-L253 HydrophobicContact CG1-CD2 4.06Å; V199-L253 HydrophobicContact CG2-CD2 4.28Å; V199-I258 HydrophobicContact CB-CG2 4.12Å; V199-I258 HydrophobicContact CG2-CD1 3.8Å; V199-I258 HydrophobicContact CG2-CG2 4.2Å; V199-I258 WeakPolarHBondContact O-CG2 3.33Å; V199-L260 HydrophobicContact CB-CD2 4.03Å; V199-L260 HydrophobicContact CG1-CD2 3.7Å
200D97.1Very high98.5Very high92 Ų9220.2 Ų20.249%0.49210%0.095SC..THydrogen-bonded Turntrans59.732.8177.6-155.235.3000116V185 E196 Q202V185-D200 WeakPolarHBondContact CG1-OD1 3.39Å; V185-D200 WeakPolarHBondContact CG2-OD1 3.39Å; E196-D200 PolarHBondContact O-N 3.48Å; D200-Q202 PolarHBondContact O-N 2.95Å
201L97.7Very high98.5Very high16 Ų1616 Ų168%0.0848%0.079CC..  trans-78.3109.8169.2-175.966.1000109.5E196 V199 D203 Y204 Y252 Y256 I258 H304E196-L201 HydrophobicContact CB-CB 4.07Å; E196-L201 HydrophobicContact CB-CD2 4.31Å; E196-L201 PolarHBondContact O-N 3.29Å; V199-L201 HydrophobicContact CG2-CB 4.44Å; V199-L201 PolarHBondContact O-N 3.1Å; L201-D203 WeakPolarHBondContact CD1-OD1 3.43Å; L201-D203 WeakPolarHBondContact CG-OD1 3.5Å; L201-Y204 WeakPolarHBondContact O-CD1 3.44Å; L201-Y252 HydrophobicContact CD2-CE2 4.48Å; L201-Y252 VanDerWaalsContact CD2-OH 3.23Å; L201-Y252 WeakPolarHBondContact CD2-OH 3.36Å; L201-Y256 HydrophobicContact CD2-CD1 4.43Å; L201-Y256 HydrophobicContact CD2-CG 4.32Å; L201-I258 HydrophobicContact CB-CD1 3.88Å; L201-I258 HydrophobicContact CD1-CD1 3.97Å; L201-I258 HydrophobicContact CD1-CG1 4.42Å; L201-I258 HydrophobicContact CD2-CD1 4.29Å; L201-I258 HydrophobicContact CG-CD1 4.26Å; L201-H304 VanDerWaalsContact CD2-CE1 3.47Å; L201-H304 WeakPolarHBondContact CD2-CE1 3.15Å
202Q98.2Very high98.5Very high64 Ų6413.3 Ų13.330%0.2997%0.068SC..  trans-91.2-23.1-168.1-65.4-175.743.200114.7E182 Y183 V185 D200 Y204E182-Q202 HydrophobicContact CB-CB 3.87Å; E182-Q202 HydrophobicContact CG-CB 4.12Å; Y183-Q202 PolarHBondContact N-O 3.26Å; V185-Q202 HydrophobicContact CG1-CG 3.99Å; D200-Q202 PolarHBondContact O-N 2.95Å; Q202-Y204 WeakPolarHBondContact O-CD1 3.35Å; Q202-Y204 PolarHBondContact O-N 3.24Å; Q202-Y204 VanDerWaalsContact O-N 3.11Å
203D97.8Very high98.5Very high20 Ų2012.6 Ų12.611%0.1077%0.066CC..SBendtrans-85.937-179.663.2-14.6000112.8M1 S2 L201M1-D203 VanDerWaalsContact CA-OD2 3.23Å; M1-D203 WeakPolarHBondContact CA-OD2 3.33Å; S2-D203 WeakPolarHBondContact CB-O 2.98Å; S2-D203 PolarHBondContact N-OD2 2.74Å; L201-D203 WeakPolarHBondContact CD1-OD1 3.43Å; L201-D203 WeakPolarHBondContact CG-OD1 3.5Å
204Y98.6Very high98.5Very high0 Ų012 Ų120%06%0.063CC..  trans-73.3165.7178.365.6-100.4000113.2M148 R150 Y183 N184 V185 V187 E196 L197 L201 Q202 L208M148-Y204 HydrophobicContact SD-CD2 4.3Å; M148-Y204 HydrophobicContact SD-CE2 4.38Å; R150-Y204 PolarHBondContact NH1-OH 3.23Å; Y183-Y204 WeakPolarHBondContact CB-OH 3.49Å; Y183-Y204 HydrophobicContact CG-CE2 4.38Å; N184-Y204 PolarHBondContact O-OH 3.31Å; V185-Y204 HydrophobicContact CG1-CE1 4.31Å; V187-Y204 WeakPolarHBondContact CG2-OH 3.47Å; E196-Y204 HydrophobicContact CG-CG 4.37Å; L197-Y204 HydrophobicContact CD2-CD1 3.82Å; L197-Y204 HydrophobicContact CD2-CE1 3.52Å; L197-Y204 HydrophobicContact CD2-CE2 4.47Å; L197-Y204 HydrophobicContact CD2-CG 4.41Å; L201-Y204 WeakPolarHBondContact O-CD1 3.44Å; Q202-Y204 WeakPolarHBondContact O-CD1 3.35Å; Q202-Y204 PolarHBondContact O-N 3.24Å; Q202-Y204 VanDerWaalsContact O-N 3.11Å; Y204-L208 HydrophobicContact CD2-CB 4.31Å; Y204-L208 HydrophobicContact CD2-CD2 3.88Å; Y204-L208 HydrophobicContact CE2-CD2 3.64Å
205D98.8Very high98.5Very high8 Ų812.2 Ų12.24%0.0436%0.064CC..  trans-136-164-175.569.969.6000113.7A4 M148 Y177 S207 L208 H304 Q305A4-D205 WeakPolarHBondContact CA-OD2 3.38Å; A4-D205 HydrophobicContact CB-CB 3.73Å; M148-D205 VanDerWaalsContact SD-CA 3.53Å; Y177-D205 HydrophobicContact CD2-CB 3.86Å; Y177-D205 HydrophobicContact CE2-CB 3.39Å; D205-S207 PolarHBondContact O-N 3.32Å; D205-S207 VanDerWaalsContact O-N 3.08Å; D205-S207 WeakPolarHBondContact OD1-CB 3.5Å; D205-S207 PolarHBondContact OD1-N 3.32Å; D205-S207 PolarHBondContact OD1-OG 3.05Å; D205-L208 WeakPolarHBondContact O-CB 3.36Å; D205-L208 PolarHBondContact O-N 3.16Å; D205-H304 IonicContact OD2-CD2 3.76Å; D205-Q305 PolarHBondContact OD2-NE2 3.03Å
206Y98.9Very high98.5Very high4 Ų412.4 Ų12.42%0.0167%0.065CC..THydrogen-bonded Turntrans-49.4-29.8179-44.2-73.8000114.2A4 V6 Y7 H143 M148 Y177 L208 D209A4-Y206 HydrophobicContact CB-CD2 3.64Å; A4-Y206 HydrophobicContact CB-CE2 3.53Å; V6-Y206 VanDerWaalsContact O-CE2 3.25Å; V6-Y206 WeakPolarHBondContact O-CE2 3.23Å; Y7-Y206 PolarHBondContact O-OH 3.27Å; H143-Y206 HydrophobicContact CB-CD1 3.91Å; H143-Y206 HydrophobicContact CB-CE1 4.47Å; H143-Y206 HydrophobicContact CB-CG 4.16Å; H143-Y206 AromaticContact CD2-CD1 3.77Å; H143-Y206 PolarHBondContact CE1-O 2.92Å; H143-Y206 AromaticContact CG-CD1 3.89Å; M148-Y206 HydrophobicContact CG-CD1 3.57Å; M148-Y206 HydrophobicContact CG-CE1 4.1Å; M148-Y206 HydrophobicContact CG-CG 4.27Å; Y177-Y206 VanDerWaalsContact CB-CZ 3.43Å; Y177-Y206 VanDerWaalsContact CB-OH 3.29Å; Y177-Y206 WeakPolarHBondContact CB-OH 3.44Å; Y177-Y206 AromaticContact CD1-CE2 3.78Å; Y177-Y206 HydrophobicContact CD1-CE2 3.78Å; Y177-Y206 AromaticContact CD1-CZ 3.6Å; Y177-Y206 WeakPolarHBondContact CD1-OH 3.11Å; Y177-Y206 HydrophobicContact CE1-CE2 4.3Å; Y177-Y206 HydrophobicContact CG-CE1 4.06Å; Y177-Y206 AromaticContact CG-CE2 3.91Å; Y177-Y206 HydrophobicContact CG-CE2 3.91Å; Y177-Y206 AromaticContact CG-CZ 3.55Å; Y206-L208 PolarHBondContact O-N 3.36Å; Y206-D209 WeakPolarHBondContact O-CB 3.2Å; Y206-D209 PolarHBondContact O-N 2.75Å
207S98.9Very high98.5Very high11 Ų1112.4 Ų12.48%0.0777%0.065CC..Hα-helixtrans-57-18.8176.357.90000114.3D205 D209 M210 W211 H304 R307D205-S207 PolarHBondContact O-N 3.32Å; D205-S207 VanDerWaalsContact O-N 3.08Å; D205-S207 WeakPolarHBondContact OD1-CB 3.5Å; D205-S207 PolarHBondContact OD1-N 3.32Å; D205-S207 PolarHBondContact OD1-OG 3.05Å; S207-D209 VanDerWaalsContact C-N 3.33Å; S207-M210 PolarHBondContact O-N 3.47Å; S207-W211 PolarHBondContact O-N 3.13Å; S207-H304 VanDerWaalsContact CB-O 3.25Å; S207-H304 WeakPolarHBondContact CB-O 3.47Å; S207-H304 WeakPolarHBondContact OG-CB 3.43Å; S207-R307 PolarHBondContact O-NH1 3.18Å
208L98.9Very high98.5Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-60-44.4171.8173.762.6000111.3R150 V187 E196 L197 Y204 D205 Y206 M210 W211 S212R150-L208 HydrophobicContact CB-CD2 4.25Å; R150-L208 HydrophobicContact CG-CD2 4.14Å; V187-L208 HydrophobicContact CG2-CD2 4.31Å; E196-L208 HydrophobicContact CG-CD1 4.3Å; E196-L208 WeakPolarHBondContact OE1-CA 3.47Å; L197-L208 HydrophobicContact CD1-CD1 3.7Å; L197-L208 HydrophobicContact CD1-CD2 4.07Å; L197-L208 HydrophobicContact CD2-CD1 4.28Å; L197-L208 HydrophobicContact CD2-CD2 4.12Å; L197-L208 HydrophobicContact CG-CD1 3.79Å; L197-L208 HydrophobicContact CG-CD2 4.4Å; Y204-L208 HydrophobicContact CD2-CB 4.31Å; Y204-L208 HydrophobicContact CD2-CD2 3.88Å; Y204-L208 HydrophobicContact CE2-CD2 3.64Å; D205-L208 WeakPolarHBondContact O-CB 3.36Å; D205-L208 PolarHBondContact O-N 3.16Å; Y206-L208 PolarHBondContact O-N 3.36Å; L208-M210 PolarHBondContact O-N 3.13Å; L208-W211 WeakPolarHBondContact O-CB 3.2Å; L208-W211 PolarHBondContact O-N 2.95Å; L208-S212 PolarHBondContact O-N 3.37Å; L208-S212 VanDerWaalsContact O-N 3.16Å; L208-S212 PolarHBondContact O-OG 3.05Å
209D98.9Very high98.5Very high0 Ų011.7 Ų11.70%06%0.064CC..Hα-helixtrans-64.9-31.6179.9-67.1-32.8000111.2L139 H143 H149 R150 V152 Y206 S207 S212 L213L139-D209 HydrophobicContact CD2-CB 4.13Å; H143-D209 IonicContact CD2-OD2 3.85Å; H143-D209 IonicContact CE1-OD2 2.66Å; H143-D209 IonicContact NE2-OD2 2.78Å; H143-D209 PolarHBondContact NE2-OD2 2.94Å; H149-D209 PolarHBondContact N-OD2 2.88Å; R150-D209 WeakPolarHBondContact CA-OD1 3.44Å; R150-D209 PolarHBondContact N-OD1 3.31Å; V152-D209 HydrophobicContact CG2-CB 4.01Å; Y206-D209 WeakPolarHBondContact O-CB 3.2Å; Y206-D209 PolarHBondContact O-N 2.75Å; S207-D209 VanDerWaalsContact C-N 3.33Å; D209-S212 PolarHBondContact O-N 2.87Å; D209-L213 WeakPolarHBondContact O-CB 3.42Å; D209-L213 PolarHBondContact O-N 3.28Å
210M98.9Very high98.6Very high1 Ų111.7 Ų11.71%0.0056%0.063CC..Hα-helixtrans-70.4-34178.4-58-54.6-59.600112.4L136 L139 S207 L208 L213 G214 L299 L308 A310 A313L136-M210 HydrophobicContact CD2-CE 3.72Å; L136-M210 HydrophobicContact CD2-SD 4.44Å; L139-M210 HydrophobicContact CD1-SD 4.37Å; S207-M210 PolarHBondContact O-N 3.47Å; L208-M210 PolarHBondContact O-N 3.13Å; M210-L213 HydrophobicContact CE-CD2 3.93Å; M210-G214 PolarHBondContact O-N 3.07Å; M210-L299 HydrophobicContact CB-CD2 4.36Å; M210-L299 HydrophobicContact CE-CD2 3.63Å; M210-L308 WeakPolarHBondContact CE-O 3.34Å; M210-L308 WeakPolarHBondContact CG-O 3.42Å; M210-A310 HydrophobicContact CE-CB 4.39Å; M210-A310 HydrophobicContact SD-CB 3.85Å; M210-A313 HydrophobicContact CE-CB 3.82Å
211W98.9Very high98.6Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-64.9-48.3169.3173.9-85.1000111.3K193 P195 S207 L208 L213 G214 C215 F228 I240 L244 L300 R301K193-W211 PolarHBondContact O-NE1 2.68Å; P195-W211 HydrophobicContact CG-CD2 4.44Å; P195-W211 HydrophobicContact CG-CE3 4.17Å; P195-W211 HydrophobicContact CG-CH2 3.72Å; P195-W211 HydrophobicContact CG-CZ2 4.03Å; P195-W211 HydrophobicContact CG-CZ3 3.8Å; S207-W211 PolarHBondContact O-N 3.13Å; L208-W211 WeakPolarHBondContact O-CB 3.2Å; L208-W211 PolarHBondContact O-N 2.95Å; W211-L213 VanDerWaalsContact C-N 3.26Å; W211-L213 PolarHBondContact O-N 3Å; W211-G214 CarbonylContact O-C 3.09Å; W211-G214 WeakPolarHBondContact O-CA 3.33Å; W211-G214 PolarHBondContact O-N 3.44Å; W211-C215 PolarHBondContact NE1-SG 2.89Å; W211-C215 VanDerWaalsContact NE1-SG 3.37Å; W211-C215 PolarHBondContact O-N 3.34Å; W211-F228 HydrophobicContact CH2-CE2 4.48Å; W211-F228 HydrophobicContact CZ2-CD2 4.45Å; W211-F228 HydrophobicContact CZ2-CE2 4.03Å; W211-I240 HydrophobicContact CH2-CD1 4.33Å; W211-I240 HydrophobicContact CH2-CG1 4.42Å; W211-I240 HydrophobicContact CH2-CG2 3.62Å; W211-I240 HydrophobicContact CZ2-CD1 3.61Å; W211-I240 HydrophobicContact CZ2-CG1 3.91Å; W211-I240 HydrophobicContact CZ2-CG2 3.98Å; W211-L244 HydrophobicContact CH2-CD1 3.59Å; W211-L244 HydrophobicContact CZ3-CD1 3.82Å; W211-L300 HydrophobicContact CD2-CD2 3.83Å; W211-L300 HydrophobicContact CE3-CD2 3.79Å; W211-L300 HydrophobicContact CG-CD2 4.47Å; W211-L300 HydrophobicContact CH2-CD2 4.13Å; W211-L300 HydrophobicContact CZ2-CD2 4.15Å; W211-L300 HydrophobicContact CZ3-CB 4.2Å; W211-L300 HydrophobicContact CZ3-CD2 3.95Å; W211-R301 WeakPolarHBondContact CZ3-O 3.31Å
212S98.9Very high98.7Very high0 Ų06.8 Ų6.80%04%0.037CC..Hα-helixtrans-58.5-40.5178.3-60.30000111.7V152 F192 L208 D209 C215 M216V152-S212 WeakPolarHBondContact O-CB 3.28Å; F192-S212 PolarHBondContact O-OG 2.93Å; L208-S212 PolarHBondContact O-N 3.37Å; L208-S212 VanDerWaalsContact O-N 3.16Å; L208-S212 PolarHBondContact O-OG 3.05Å; D209-S212 PolarHBondContact O-N 2.87Å; S212-C215 WeakPolarHBondContact O-CB 3.46Å; S212-C215 PolarHBondContact O-N 3.37Å; S212-M216 PolarHBondContact O-N 3.28Å
213L98.9Very high98.6Very high0 Ų09.2 Ų9.20%04%0.043CC..Hα-helixtrans-59.5-45.2170.8-17873.6000111.6I132 L135 L136 L139 D209 M210 W211 C215 M216 F217 L299I132-L213 HydrophobicContact CD1-CD1 4.05Å; I132-L213 HydrophobicContact CG2-CD1 4.37Å; L135-L213 HydrophobicContact CD2-CD1 3.43Å; L135-L213 VanDerWaalsContact CD2-CD1 3.43Å; L135-L213 HydrophobicContact CG-CD1 3.97Å; L136-L213 HydrophobicContact CD2-CD2 3.4Å; L136-L213 VanDerWaalsContact CD2-CD2 3.4Å; L136-L213 HydrophobicContact CG-CD2 3.92Å; L139-L213 HydrophobicContact CD1-CB 4.45Å; L139-L213 HydrophobicContact CD1-CD1 4.46Å; L139-L213 HydrophobicContact CD1-CD2 4.35Å; D209-L213 WeakPolarHBondContact O-CB 3.42Å; D209-L213 PolarHBondContact O-N 3.28Å; M210-L213 HydrophobicContact CE-CD2 3.93Å; W211-L213 VanDerWaalsContact C-N 3.26Å; W211-L213 PolarHBondContact O-N 3Å; L213-C215 VanDerWaalsContact C-N 3.33Å; L213-C215 PolarHBondContact O-N 3.35Å; L213-M216 WeakPolarHBondContact O-CB 3.38Å; L213-M216 PolarHBondContact O-N 3.4Å; L213-F217 WeakPolarHBondContact O-CB 3.45Å; L213-F217 PolarHBondContact O-N 3.22Å; L213-L299 HydrophobicContact CD2-CD1 4.27Å; L213-L299 HydrophobicContact CG-CD1 4.44Å
214G98.9Very high98.6Very high0 Ų012.3 Ų12.30%06%0.056CC..Hα-helixtrans-58.2-42.2175.500000112.8M210 W211 F217 A218 L296M210-G214 PolarHBondContact O-N 3.07Å; W211-G214 CarbonylContact O-C 3.09Å; W211-G214 WeakPolarHBondContact O-CA 3.33Å; W211-G214 PolarHBondContact O-N 3.44Å; G214-F217 PolarHBondContact O-N 2.64Å; G214-A218 WeakPolarHBondContact O-CB 3.21Å; G214-A218 PolarHBondContact O-N 2.86Å; G214-L296 WeakPolarHBondContact O-CD1 3.37Å
215C98.9Very high98.4Very high4 Ų416.9 Ų16.93%0.0278%0.077CC..Hα-helixtrans-62.7-42174.4-71.70000112.5F192 W211 S212 L213 G219F192-C215 HydrophobicContact CD1-CB 3.81Å; F192-C215 HydrophobicContact CE1-CB 4.3Å; W211-C215 PolarHBondContact NE1-SG 2.89Å; W211-C215 VanDerWaalsContact NE1-SG 3.37Å; W211-C215 PolarHBondContact O-N 3.34Å; S212-C215 WeakPolarHBondContact O-CB 3.46Å; S212-C215 PolarHBondContact O-N 3.37Å; L213-C215 VanDerWaalsContact C-N 3.33Å; L213-C215 PolarHBondContact O-N 3.35Å; C215-G219 PolarHBondContact O-N 2.86Å; C215-G219 VanDerWaalsContact O-N 3.09Å
216M98.5Very high98.4Very high4 Ų417.5 Ų17.52%0.028%0.082CC..Hα-helixtrans-61.5-50.6174.3-72.9-177.358.700111Y120 L135 V152 K153 P154 V157 F192 S212 L213 A218 G219 M220Y120-M216 WeakPolarHBondContact OH-CE 3.32Å; L135-M216 HydrophobicContact CD2-CE 4.14Å; L135-M216 HydrophobicContact CD2-SD 4.36Å; V152-M216 HydrophobicContact CG1-SD 3.74Å; K153-M216 WeakPolarHBondContact CA-SD 3.22Å; P154-M216 HydrophobicContact CB-CE 4.36Å; P154-M216 HydrophobicContact CG-CE 4.06Å; P154-M216 HydrophobicContact CG-CG 4.1Å; V157-M216 HydrophobicContact CG2-CE 3.94Å; F192-M216 HydrophobicContact CD1-CG 3.97Å; F192-M216 HydrophobicContact CE1-CG 3.61Å; S212-M216 PolarHBondContact O-N 3.28Å; L213-M216 WeakPolarHBondContact O-CB 3.38Å; L213-M216 PolarHBondContact O-N 3.4Å; M216-A218 PolarHBondContact O-N 2.87Å; M216-G219 WeakPolarHBondContact O-CA 3.41Å; M216-G219 PolarHBondContact O-N 2.69Å; M216-G219 VanDerWaalsContact O-N 3.09Å; M216-M220 WeakPolarHBondContact O-CG 3.32Å; M216-M220 PolarHBondContact O-N 2.79Å
217F98.8Very high98.4Very high0 Ų017.7 Ų17.70%08%0.082CC..Hα-helixtrans-61.4-45.2-177.6-177.7-120.5000111.9I128 I132 L213 G214 G219 M220 I221 A292 F295 L296 Y318I128-F217 HydrophobicContact CG2-CD2 4.01Å; I128-F217 HydrophobicContact CG2-CE2 3.74Å; I132-F217 HydrophobicContact CD1-CB 4.27Å; I132-F217 HydrophobicContact CD1-CD2 4.18Å; I132-F217 HydrophobicContact CG1-CD2 3.91Å; L213-F217 WeakPolarHBondContact O-CB 3.45Å; L213-F217 PolarHBondContact O-N 3.22Å; G214-F217 PolarHBondContact O-N 2.64Å; F217-G219 VanDerWaalsContact C-N 3.29Å; F217-G219 PolarHBondContact O-N 2.88Å; F217-M220 PolarHBondContact O-N 3.18Å; F217-M220 VanDerWaalsContact O-N 3.16Å; F217-I221 HydrophobicContact CD1-CD1 4.39Å; F217-I221 HydrophobicContact CD2-CG2 3.94Å; F217-I221 HydrophobicContact CE1-CD1 3.86Å; F217-I221 HydrophobicContact CE1-CG2 4.29Å; F217-I221 HydrophobicContact CE2-CG2 3.39Å; F217-I221 HydrophobicContact CZ-CD1 4.1Å; F217-I221 HydrophobicContact CZ-CG2 3.59Å; F217-I221 PolarHBondContact O-N 3.36Å; F217-A292 HydrophobicContact CZ-CB 4.09Å; F217-F295 AromaticContact CD1-CD1 3.78Å; F217-F295 HydrophobicContact CD1-CD1 3.78Å; F217-F295 HydrophobicContact CD1-CE1 4Å; F217-F295 AromaticContact CE1-CD1 3.46Å; F217-F295 HydrophobicContact CE1-CD1 3.46Å; F217-F295 VanDerWaalsContact CE1-CD1 3.46Å; F217-F295 HydrophobicContact CE1-CE1 4.1Å; F217-F295 HydrophobicContact CE1-CG 4.46Å; F217-F295 HydrophobicContact CG-CD1 4.47Å; F217-F295 HydrophobicContact CG-CE1 4.3Å; F217-F295 AromaticContact CZ-CD1 3.87Å; F217-F295 HydrophobicContact CZ-CD1 3.87Å; F217-F295 HydrophobicContact CZ-CE1 4.44Å; F217-L296 HydrophobicContact CD1-CB 3.99Å; F217-L296 HydrophobicContact CD1-CD1 3.88Å; F217-L296 HydrophobicContact CD1-CG 4.48Å; F217-L296 HydrophobicContact CE1-CB 4Å; F217-Y318 AromaticContact CE2-CE1 3.55Å; F217-Y318 HydrophobicContact CE2-CE1 3.55Å; F217-Y318 AromaticContact CE2-CZ 3.69Å; F217-Y318 WeakPolarHBondContact CE2-OH 3.32Å; F217-Y318 HydrophobicContact CZ-CD1 4.23Å; F217-Y318 AromaticContact CZ-CE1 3.48Å; F217-Y318 HydrophobicContact CZ-CE1 3.48Å; F217-Y318 VanDerWaalsContact CZ-CE1 3.48Å; F217-Y318 HydrophobicContact CZ-CE2 4.25Å; F217-Y318 AromaticContact CZ-CZ 3.5Å
218A98.8Very high98.4Very high0 Ų017.3 Ų17.30%08%0.079CC..Hα-helixtrans-58-42.2172.900000112.1G214 M216 M220 F222 F227 L296 L300G214-A218 WeakPolarHBondContact O-CB 3.21Å; G214-A218 PolarHBondContact O-N 2.86Å; M216-A218 PolarHBondContact O-N 2.87Å; A218-M220 VanDerWaalsContact C-N 3.3Å; A218-M220 PolarHBondContact O-N 3.26Å; A218-F222 HydrophobicContact CB-CD2 4.21Å; A218-F222 HydrophobicContact CB-CE2 4.48Å; A218-F222 WeakPolarHBondContact O-CB 3.49Å; A218-F222 WeakPolarHBondContact O-CD2 3.4Å; A218-F222 PolarHBondContact O-N 2.98Å; A218-F227 HydrophobicContact CB-CB 3.9Å; A218-F227 HydrophobicContact CB-CD1 3.87Å; A218-F227 HydrophobicContact CB-CD2 3.82Å; A218-F227 HydrophobicContact CB-CE1 4.38Å; A218-F227 HydrophobicContact CB-CE2 4.35Å; A218-F227 HydrophobicContact CB-CG 3.56Å; A218-L296 HydrophobicContact CB-CD1 3.85Å; A218-L296 HydrophobicContact CB-CD2 3.91Å; A218-L300 HydrophobicContact CB-CD1 4.42Å
219G98.4Very high98.4Very high10 Ų1023 Ų2310%0.10310%0.102CC..Hα-helixtrans-61.6-38.2177.200000113C215 M216 F217 R223 K224C215-G219 PolarHBondContact O-N 2.86Å; C215-G219 VanDerWaalsContact O-N 3.09Å; M216-G219 WeakPolarHBondContact O-CA 3.41Å; M216-G219 PolarHBondContact O-N 2.69Å; M216-G219 VanDerWaalsContact O-N 3.09Å; F217-G219 VanDerWaalsContact C-N 3.29Å; F217-G219 PolarHBondContact O-N 2.88Å; G219-R223 WeakPolarHBondContact O-CA 3.46Å; G219-R223 PolarHBondContact O-N 2.82Å; G219-K224 VanDerWaalsContact CA-O 3.31Å; G219-K224 WeakPolarHBondContact CA-O 3.39Å; G219-K224 PolarHBondContact O-N 2.89Å
220M98.4Very high98.3Very high11 Ų1123 Ų235%0.05410%0.102CC..Hα-helixtrans-70.2-57.1177.3-64.4169.982.200111.7Y120 L123 I128 I132 M216 F217 A218 F222 R223Y120-M220 HydrophobicContact CD1-CE 4.23Å; Y120-M220 HydrophobicContact CD2-CE 4.41Å; Y120-M220 HydrophobicContact CD2-CG 3.61Å; Y120-M220 HydrophobicContact CD2-SD 4.35Å; Y120-M220 HydrophobicContact CE1-CE 4.12Å; Y120-M220 HydrophobicContact CE2-CE 4.29Å; Y120-M220 HydrophobicContact CE2-CG 3.7Å; Y120-M220 HydrophobicContact CE2-SD 3.95Å; Y120-M220 HydrophobicContact CG-CE 4.38Å; Y120-M220 HydrophobicContact CG-CG 4.28Å; L123-M220 HydrophobicContact CD1-CE 3.6Å; I128-M220 HydrophobicContact CB-CE 4.33Å; I128-M220 HydrophobicContact CD1-CB 4.24Å; I128-M220 HydrophobicContact CG1-CE 4.04Å; I128-M220 HydrophobicContact CG2-CB 4.33Å; I128-M220 HydrophobicContact CG2-CE 3.98Å; I128-M220 HydrophobicContact CG2-SD 4.4Å; I132-M220 HydrophobicContact CD1-SD 3.89Å; I132-M220 HydrophobicContact CG1-SD 4.32Å; M216-M220 WeakPolarHBondContact O-CG 3.32Å; M216-M220 PolarHBondContact O-N 2.79Å; F217-M220 PolarHBondContact O-N 3.18Å; F217-M220 VanDerWaalsContact O-N 3.16Å; A218-M220 VanDerWaalsContact C-N 3.3Å; A218-M220 PolarHBondContact O-N 3.26Å; M220-F222 PolarHBondContact O-N 3.07Å; M220-R223 PolarHBondContact O-N 2.87Å
221I98.6Very high98.3Very high0 Ų029 Ų290%013%0.13CC..Hα-helixtrans-71.5-30-171.969.4175.2000113.1I128 F217 N284 L287 V288 A292 L296I128-I221 HydrophobicContact CD1-CG2 4.46Å; I128-I221 HydrophobicContact CG2-CG2 4.21Å; F217-I221 HydrophobicContact CD1-CD1 4.39Å; F217-I221 HydrophobicContact CD2-CG2 3.94Å; F217-I221 HydrophobicContact CE1-CD1 3.86Å; F217-I221 HydrophobicContact CE1-CG2 4.29Å; F217-I221 HydrophobicContact CE2-CG2 3.39Å; F217-I221 HydrophobicContact CZ-CD1 4.1Å; F217-I221 HydrophobicContact CZ-CG2 3.59Å; F217-I221 PolarHBondContact O-N 3.36Å; I221-N284 WeakPolarHBondContact O-CB 3.15Å; I221-L287 HydrophobicContact CB-CB 4.47Å; I221-V288 HydrophobicContact CB-CG2 4.32Å; I221-V288 WeakPolarHBondContact O-CG2 3.34Å; I221-A292 HydrophobicContact CD1-CB 4.32Å; I221-L296 HydrophobicContact CD1-CD2 4.16Å
222F98.5Very high98.2Very high5 Ų532.8 Ų32.82%0.02215%0.15CC..THydrogen-bonded Turntrans-92.5-0.5176.3-62.1-55.9000113.3A218 M220 K224 F227 W276 F279 I280 N284 V288 L296A218-F222 HydrophobicContact CB-CD2 4.21Å; A218-F222 HydrophobicContact CB-CE2 4.48Å; A218-F222 WeakPolarHBondContact O-CB 3.49Å; A218-F222 WeakPolarHBondContact O-CD2 3.4Å; A218-F222 PolarHBondContact O-N 2.98Å; M220-F222 PolarHBondContact O-N 3.07Å; F222-K224 HydrophobicContact CB-CB 4.31Å; F222-K224 PolarHBondContact O-N 3.25Å; F222-F227 HydrophobicContact CB-CD2 4.43Å; F222-F227 HydrophobicContact CB-CE2 4.25Å; F222-F227 AromaticContact CD2-CD2 3.85Å; F222-F227 HydrophobicContact CD2-CD2 3.85Å; F222-F227 AromaticContact CD2-CE2 3.31Å; F222-F227 HydrophobicContact CD2-CE2 3.31Å; F222-F227 HydrophobicContact CD2-CZ 4.03Å; F222-F227 AromaticContact CE2-CE2 3.93Å; F222-F227 HydrophobicContact CE2-CE2 3.93Å; F222-F227 HydrophobicContact CE2-CZ 4.19Å; F222-F227 HydrophobicContact CG-CE2 4.06Å; F222-W276 AromaticContact CE2-CE3 3.82Å; F222-W276 HydrophobicContact CE2-CE3 3.82Å; F222-W276 HydrophobicContact CE2-CZ3 4.3Å; F222-W276 HydrophobicContact CZ-CB 4.2Å; F222-W276 HydrophobicContact CZ-CE3 4.03Å; F222-F279 HydrophobicContact CB-CB 4.4Å; F222-F279 HydrophobicContact CD1-CB 3.53Å; F222-F279 WeakPolarHBondContact CD1-O 3.34Å; F222-F279 HydrophobicContact CD2-CB 4.14Å; F222-F279 HydrophobicContact CE1-CB 3.71Å; F222-F279 HydrophobicContact CE2-CB 4.26Å; F222-F279 HydrophobicContact CG-CB 3.77Å; F222-F279 HydrophobicContact CZ-CB 4.08Å; F222-I280 HydrophobicContact CE1-CG1 4.15Å; F222-N284 WeakPolarHBondContact CA-ND2 3.41Å; F222-N284 PolarHBondContact O-ND2 2.65Å; F222-V288 HydrophobicContact CD1-CG2 4.03Å; F222-V288 HydrophobicContact CE1-CG1 4.16Å; F222-V288 HydrophobicContact CE1-CG2 3.98Å; F222-L296 HydrophobicContact CD2-CD2 4.48Å; F222-L296 HydrophobicContact CE2-CD2 3.53Å; F222-L296 HydrophobicContact CZ-CD2 4.15Å
223R97.2Very high98.1Very high115 Ų11536.3 Ų36.343%0.43417%0.169SC..THydrogen-bonded Turntrans4844.3-172.7-67.5-175.4162.8-179.2-11.8112.4P121 G219 M220 D283 N284 L287P121-R223 PolarHBondContact O-NH2 3.36Å; G219-R223 WeakPolarHBondContact O-CA 3.46Å; G219-R223 PolarHBondContact O-N 2.82Å; M220-R223 PolarHBondContact O-N 2.87Å; R223-D283 WeakPolarHBondContact CD-O 3.45Å; R223-D283 PolarHBondContact NH1-O 2.89Å; R223-N284 HydrophobicContact CB-CB 4.46Å; R223-N284 HydrophobicContact CG-CB 4.32Å; R223-L287 HydrophobicContact CG-CD1 4.2Å
224K97.5Very high98Very high86 Ų8640 Ų4037%0.37419%0.186SC..  trans-13092.4-176.1-176.2178-176.3-64.90109.7G219 F222 P226 F227G219-K224 VanDerWaalsContact CA-O 3.31Å; G219-K224 WeakPolarHBondContact CA-O 3.39Å; G219-K224 PolarHBondContact O-N 2.89Å; F222-K224 HydrophobicContact CB-CB 4.31Å; F222-K224 PolarHBondContact O-N 3.25Å; K224-P226 CarbonylContact O-C 3.59Å; K224-F227 HydrophobicContact CB-CD2 4.28Å; K224-F227 HydrophobicContact CD-CD2 4.09Å; K224-F227 HydrophobicContact CD-CE2 4.27Å; K224-F227 HydrophobicContact CG-CD2 4.45Å; K224-F227 PolarHBondContact NZ-O 3.38Å; K224-F227 VanDerWaalsContact O-CA 3.29Å; K224-F227 WeakPolarHBondContact O-CA 3.4Å; K224-F227 PolarHBondContact O-N 2.72Å
225E94.2Very high98Very high96 Ų9641.3 Ų41.345%0.44919%0.193SC..SBendtrans-113.6119.4-173.1-164.6-120.5146.900111.8F116F116-E225 HydrophobicContact CE2-CG 4.29Å; F116-E225 WeakPolarHBondContact CE2-OE1 3.27Å; F116-E225 WeakPolarHBondContact CE2-OE2 3.28Å; F116-E225 WeakPolarHBondContact CZ-OE1 3.42Å
226P98Very high98Very high21 Ų2141.1 Ų41.114%0.13619%0.191CC..SBendcis-73.6155.6-10.832-35.4000113Y191 K224 Y229Y191-P226 HydrophobicContact CD1-CB 4.32Å; Y191-P226 HydrophobicContact CD1-CG 3.97Å; Y191-P226 HydrophobicContact CD2-CB 3.72Å; Y191-P226 HydrophobicContact CD2-CG 3.56Å; Y191-P226 HydrophobicContact CE1-CG 4.26Å; Y191-P226 HydrophobicContact CE2-CG 3.87Å; Y191-P226 HydrophobicContact CG-CB 3.62Å; Y191-P226 HydrophobicContact CG-CG 3.63Å; K224-P226 CarbonylContact O-C 3.59Å; P226-Y229 HydrophobicContact CG-CD2 3.39Å; P226-Y229 HydrophobicContact CG-CE2 4.21Å; P226-Y229 HydrophobicContact CG-CG 4.06Å
227F98.6Very high98Very high7 Ų740.9 Ų40.93%0.03119%0.19CC..SBendtrans-69.1-46.2-179-172-100.4000112.2A218 F222 K224 V243 W276 F279A218-F227 HydrophobicContact CB-CB 3.9Å; A218-F227 HydrophobicContact CB-CD1 3.87Å; A218-F227 HydrophobicContact CB-CD2 3.82Å; A218-F227 HydrophobicContact CB-CE1 4.38Å; A218-F227 HydrophobicContact CB-CE2 4.35Å; A218-F227 HydrophobicContact CB-CG 3.56Å; F222-F227 HydrophobicContact CB-CD2 4.43Å; F222-F227 HydrophobicContact CB-CE2 4.25Å; F222-F227 AromaticContact CD2-CD2 3.85Å; F222-F227 HydrophobicContact CD2-CD2 3.85Å; F222-F227 AromaticContact CD2-CE2 3.31Å; F222-F227 HydrophobicContact CD2-CE2 3.31Å; F222-F227 HydrophobicContact CD2-CZ 4.03Å; F222-F227 AromaticContact CE2-CE2 3.93Å; F222-F227 HydrophobicContact CE2-CE2 3.93Å; F222-F227 HydrophobicContact CE2-CZ 4.19Å; F222-F227 HydrophobicContact CG-CE2 4.06Å; K224-F227 HydrophobicContact CB-CD2 4.28Å; K224-F227 HydrophobicContact CD-CD2 4.09Å; K224-F227 HydrophobicContact CD-CE2 4.27Å; K224-F227 HydrophobicContact CG-CD2 4.45Å; K224-F227 PolarHBondContact NZ-O 3.38Å; K224-F227 VanDerWaalsContact O-CA 3.29Å; K224-F227 WeakPolarHBondContact O-CA 3.4Å; K224-F227 PolarHBondContact O-N 2.72Å; F227-V243 HydrophobicContact CE1-CG1 4.42Å; F227-W276 AromaticContact CE1-CZ3 3.84Å; F227-W276 HydrophobicContact CE1-CZ3 3.84Å; F227-W276 HydrophobicContact CZ-CE3 4.42Å; F227-W276 AromaticContact CZ-CZ3 3.8Å; F227-W276 HydrophobicContact CZ-CZ3 3.8Å; F227-F279 HydrophobicContact CE2-CB 4.47Å; F227-F279 AromaticContact CE2-CD1 3.96Å; F227-F279 HydrophobicContact CE2-CD1 3.96Å; F227-F279 HydrophobicContact CE2-CD2 4.49Å; F227-F279 HydrophobicContact CE2-CE1 4.33Å; F227-F279 HydrophobicContact CE2-CG 4.04Å; F227-F279 AromaticContact CZ-CD1 3.96Å; F227-F279 HydrophobicContact CZ-CD1 3.96Å; F227-F279 HydrophobicContact CZ-CD2 4.02Å; F227-F279 AromaticContact CZ-CE1 3.95Å; F227-F279 HydrophobicContact CZ-CE1 3.95Å; F227-F279 HydrophobicContact CZ-CE2 4.02Å; F227-F279 AromaticContact CZ-CG 3.99Å; F227-F279 HydrophobicContact CZ-CG 3.99Å; F227-F279 AromaticContact CZ-CZ 3.99Å; F227-F279 HydrophobicContact CZ-CZ 3.99Å
228F98.8Very high98Very high3 Ų341.2 Ų41.21%0.01319%0.192CC..SBendtrans-103.7104.9170.9-60.2-66.8000109.7Y191 W211 Q236 K239 I240 V243 L300Y191-F228 WeakPolarHBondContact CD1-O 3.17Å; W211-F228 HydrophobicContact CH2-CE2 4.48Å; W211-F228 HydrophobicContact CZ2-CD2 4.45Å; W211-F228 HydrophobicContact CZ2-CE2 4.03Å; F228-Q236 PolarHBondContact O-NE2 3.4Å; F228-Q236 PolarHBondContact O-OE1 3.29Å; F228-K239 HydrophobicContact CB-CB 4.4Å; F228-K239 HydrophobicContact CD1-CB 4.49Å; F228-I240 HydrophobicContact CB-CG1 4.31Å; F228-I240 HydrophobicContact CD1-CB 4.48Å; F228-I240 HydrophobicContact CD1-CG1 3.92Å; F228-I240 HydrophobicContact CD2-CG1 4.1Å; F228-I240 HydrophobicContact CE1-CB 4.46Å; F228-I240 HydrophobicContact CE1-CG1 4.21Å; F228-I240 HydrophobicContact CE2-CG1 4.37Å; F228-I240 HydrophobicContact CG-CG1 3.86Å; F228-I240 HydrophobicContact CZ-CG1 4.43Å; F228-V243 HydrophobicContact CD1-CG2 4.37Å; F228-V243 HydrophobicContact CE1-CB 3.86Å; F228-V243 HydrophobicContact CE1-CG1 4.33Å; F228-V243 HydrophobicContact CE1-CG2 3.75Å; F228-L300 HydrophobicContact CE2-CD1 3.9Å; F228-L300 HydrophobicContact CE2-CD2 4.3Å; F228-L300 HydrophobicContact CZ-CD1 4.1Å
229Y98.6Very high98Very high121 Ų12143.7 Ų43.748%0.47520%0.203SC..  trans-106.580.7-173.6-171.2-128.8000111.9Y191 P226 K239Y191-Y229 HydrophobicContact CD1-CD2 4.22Å; Y191-Y229 AromaticContact CE1-CD2 3.53Å; Y191-Y229 HydrophobicContact CE1-CD2 3.53Å; Y191-Y229 AromaticContact CE1-CE2 3.94Å; Y191-Y229 HydrophobicContact CE1-CE2 3.94Å; Y191-Y229 HydrophobicContact CE2-CD2 4.35Å; Y191-Y229 HydrophobicContact CE2-CE2 4.34Å; Y191-Y229 AromaticContact CZ-CD2 3.62Å; Y191-Y229 AromaticContact CZ-CE2 3.59Å; Y191-Y229 VanDerWaalsContact OH-CE2 3.24Å; Y191-Y229 WeakPolarHBondContact OH-CE2 3.38Å; P226-Y229 HydrophobicContact CG-CD2 3.39Å; P226-Y229 HydrophobicContact CG-CE2 4.21Å; P226-Y229 HydrophobicContact CG-CG 4.06Å; Y229-K239 WeakPolarHBondContact O-CE 3.46Å; Y229-K239 WeakPolarHBondContact O-CG 3.5Å
230G98.4Very high98Very high0 Ų043.2 Ų43.20%020%0.198CC..  trans-88.5142.417500000113.3R190 Y191 D235R190-G230 WeakPolarHBondContact CD-O 3.26Å; Y191-G230 WeakPolarHBondContact CE1-O 3.27Å; G230-D235 VanDerWaalsContact CA-OD2 3.31Å; G230-D235 WeakPolarHBondContact CA-OD2 3.42Å
231H97.5Very high98Very high127 Ų12742.7 Ų42.759%0.58820%0.195SC*.SBendtrans-71.8-34.5178.7-60.5-59.7000112.8R190 D235R190-H231 PolarHBondContact NH1-O 2.83Å; R190-H231 PolarHBondContact NH2-O 2.73Å; H231-D235 IonicContact CD2-OD2 3.12Å; H231-D235 PolarHBondContact CD2-OD2 2.87Å; H231-D235 IonicContact CG-OD2 3.65Å; H231-D235 PolarHBondContact N-OD2 2.92Å; H231-D235 IonicContact NE2-OD2 3.97Å
232D97.6Very high98Very high79 Ų7947.2 Ų47.242%0.42222%0.215SC..SBendtrans-140.2-171.4173.858.843.2000110.1R190 H234 D235 Q236R190-D232 WeakPolarHBondContact CD-O 3.49Å; D232-H234 WeakPolarHBondContact OD1-CA 3.41Å; D232-H234 WeakPolarHBondContact OD1-CB 3.49Å; D232-H234 PolarHBondContact OD1-N 3.42Å; D232-D235 PolarHBondContact OD1-N 3.1Å; D232-Q236 VanDerWaalsContact O-CB 3.31Å; D232-Q236 WeakPolarHBondContact O-CB 3.34Å; D232-Q236 PolarHBondContact O-N 3.29Å
233N97.2Very high98Very high74 Ų7447.7 Ų47.740%0.39622%0.218SC..Hα-helixtrans-70.4-32.3-178.9-70.5-13.7000112.8L198 Q236 L237L198-N233 HydrophobicContact CD2-CB 4.1Å; N233-Q236 WeakPolarHBondContact O-CB 3.39Å; N233-Q236 PolarHBondContact O-N 3.44Å; N233-L237 PolarHBondContact O-N 3.01Å
234H97.4Very high98.1Very high77 Ų7742.3 Ų42.336%0.35620%0.198SC..Hα-helixtrans-69.2-50.2178-68.5173.7000109.8D232 Q236 L237 V238 L264 L267D232-H234 WeakPolarHBondContact OD1-CA 3.41Å; D232-H234 WeakPolarHBondContact OD1-CB 3.49Å; D232-H234 PolarHBondContact OD1-N 3.42Å; H234-Q236 PolarHBondContact O-N 2.63Å; H234-L237 PolarHBondContact O-N 2.92Å; H234-L237 VanDerWaalsContact O-N 3.09Å; H234-V238 PolarHBondContact O-N 3.33Å; H234-L264 HydrophobicContact CB-CD1 3.75Å; H234-L267 HydrophobicContact CB-CD1 4.39Å
235D97.9Very high98.1Very high27 Ų2738.4 Ų38.414%0.14418%0.182CC..Hα-helixtrans-64.5-27.1176.6-175.250.5000112.4G230 H231 D232 L237 V238 K239G230-D235 VanDerWaalsContact CA-OD2 3.31Å; G230-D235 WeakPolarHBondContact CA-OD2 3.42Å; H231-D235 IonicContact CD2-OD2 3.12Å; H231-D235 PolarHBondContact CD2-OD2 2.87Å; H231-D235 IonicContact CG-OD2 3.65Å; H231-D235 PolarHBondContact N-OD2 2.92Å; H231-D235 IonicContact NE2-OD2 3.97Å; D232-D235 PolarHBondContact OD1-N 3.1Å; D235-L237 VanDerWaalsContact C-N 3.34Å; D235-L237 PolarHBondContact O-N 3.22Å; D235-V238 WeakPolarHBondContact O-CB 3.44Å; D235-V238 PolarHBondContact O-N 3.3Å; D235-K239 WeakPolarHBondContact O-CG 3.47Å; D235-K239 PolarHBondContact O-N 3.44Å; D235-K239 IonicContact OD1-NZ 3.64Å; D235-K239 PolarHBondContact OD1-NZ 3.5Å; D235-K239 WeakPolarHBondContact OD2-CE 3.3Å; D235-K239 IonicContact OD2-NZ 2.69Å; D235-K239 PolarHBondContact OD2-NZ 3.07Å
236Q98.7Very high98.3Very high0 Ų034.1 Ų34.10%016%0.163CC..Hα-helixtrans-59.7-43.9172.2-172.666.126.900111.8R190 L198 F228 D232 N233 H234 V238 K239 I240R190-Q236 HydrophobicContact CG-CB 4.15Å; R190-Q236 HydrophobicContact CG-CG 4.21Å; L198-Q236 HydrophobicContact CD1-CB 4.17Å; L198-Q236 HydrophobicContact CD1-CG 3.8Å; L198-Q236 HydrophobicContact CD2-CB 4.28Å; L198-Q236 HydrophobicContact CD2-CG 4.32Å; F228-Q236 PolarHBondContact O-NE2 3.4Å; F228-Q236 PolarHBondContact O-OE1 3.29Å; D232-Q236 VanDerWaalsContact O-CB 3.31Å; D232-Q236 WeakPolarHBondContact O-CB 3.34Å; D232-Q236 PolarHBondContact O-N 3.29Å; N233-Q236 WeakPolarHBondContact O-CB 3.39Å; N233-Q236 PolarHBondContact O-N 3.44Å; H234-Q236 PolarHBondContact O-N 2.63Å; Q236-V238 VanDerWaalsContact C-N 3.34Å; Q236-K239 PolarHBondContact O-N 3.3Å; Q236-I240 HydrophobicContact CG-CD1 4.44Å; Q236-I240 WeakPolarHBondContact O-CG1 3.39Å; Q236-I240 PolarHBondContact O-N 2.98Å
237L98.5Very high98.3Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-65.1-39.9175.7-176.162.3000111L198 V199 N233 H234 D235 K239 I240 A241 L249 L260 L264 V268L198-L237 HydrophobicContact CB-CB 4.3Å; L198-L237 HydrophobicContact CB-CD1 4.43Å; L198-L237 HydrophobicContact CD1-CB 4.17Å; L198-L237 HydrophobicContact CD1-CD1 4.44Å; V199-L237 HydrophobicContact CG1-CD1 4.32Å; V199-L237 HydrophobicContact CG1-CD2 3.84Å; N233-L237 PolarHBondContact O-N 3.01Å; H234-L237 PolarHBondContact O-N 2.92Å; H234-L237 VanDerWaalsContact O-N 3.09Å; D235-L237 VanDerWaalsContact C-N 3.34Å; D235-L237 PolarHBondContact O-N 3.22Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 3.33Å; L237-I240 WeakPolarHBondContact O-CB 3.34Å; L237-I240 PolarHBondContact O-N 3.04Å; L237-I240 VanDerWaalsContact O-N 3.16Å; L237-A241 WeakPolarHBondContact O-CB 3.47Å; L237-A241 PolarHBondContact O-N 2.99Å; L237-L249 HydrophobicContact CD1-CD1 4.36Å; L237-L249 HydrophobicContact CD1-CD2 4.45Å; L237-L260 HydrophobicContact CD2-CD1 4.45Å; L237-L260 HydrophobicContact CD2-CD2 4.21Å; L237-L264 HydrophobicContact CB-CD1 4.48Å; L237-L264 HydrophobicContact CD2-CD1 4.17Å; L237-L264 HydrophobicContact CD2-CD2 3.91Å; L237-L264 HydrophobicContact CD2-CG 4.15Å; L237-V268 HydrophobicContact CD2-CG2 4.05Å; L237-V268 HydrophobicContact CG-CG2 4.15Å
238V98.4Very high98.3Very high7 Ų742.8 Ų42.84%0.04221%0.209CC..Hα-helixtrans-58.9-44.5174.8-179.90000111.3H234 D235 Q236 I240 A241 K242 L267 V268H234-V238 PolarHBondContact O-N 3.33Å; D235-V238 WeakPolarHBondContact O-CB 3.44Å; D235-V238 PolarHBondContact O-N 3.3Å; Q236-V238 VanDerWaalsContact C-N 3.34Å; V238-I240 VanDerWaalsContact C-N 3.28Å; V238-I240 PolarHBondContact O-N 2.98Å; V238-A241 PolarHBondContact O-N 2.83Å; V238-K242 HydrophobicContact CG1-CD 4.23Å; V238-K242 WeakPolarHBondContact O-CG 3.23Å; V238-K242 PolarHBondContact O-N 3.18Å; V238-L267 HydrophobicContact CG2-CB 3.99Å; V238-L267 WeakPolarHBondContact CG2-O 3.28Å; V238-V268 HydrophobicContact CG2-CG2 4.19Å
239K98.7Very high98.3Very high51 Ų5142.7 Ų42.722%0.22221%0.208CC..Hα-helixtrans-61.6-37.7177.3-63.9-32.2-172.4-140.10112F228 Y229 D235 Q236 L237F228-K239 HydrophobicContact CB-CB 4.4Å; F228-K239 HydrophobicContact CD1-CB 4.49Å; Y229-K239 WeakPolarHBondContact O-CE 3.46Å; Y229-K239 WeakPolarHBondContact O-CG 3.5Å; D235-K239 WeakPolarHBondContact O-CG 3.47Å; D235-K239 PolarHBondContact O-N 3.44Å; D235-K239 IonicContact OD1-NZ 3.64Å; D235-K239 PolarHBondContact OD1-NZ 3.5Å; D235-K239 WeakPolarHBondContact OD2-CE 3.3Å; D235-K239 IonicContact OD2-NZ 2.69Å; D235-K239 PolarHBondContact OD2-NZ 3.07Å; Q236-K239 PolarHBondContact O-N 3.3Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 3.33Å
240I98.8Very high98.3Very high0 Ų040.8 Ų40.80%021%0.207CC..Hα-helixtrans-67.1-49176.1-65163.4000110.2L198 W211 F228 Q236 L237 V238 K242 V243 L244 Y302L198-I240 HydrophobicContact CD1-CD1 3.63Å; W211-I240 HydrophobicContact CH2-CD1 4.33Å; W211-I240 HydrophobicContact CH2-CG1 4.42Å; W211-I240 HydrophobicContact CH2-CG2 3.62Å; W211-I240 HydrophobicContact CZ2-CD1 3.61Å; W211-I240 HydrophobicContact CZ2-CG1 3.91Å; W211-I240 HydrophobicContact CZ2-CG2 3.98Å; F228-I240 HydrophobicContact CB-CG1 4.31Å; F228-I240 HydrophobicContact CD1-CB 4.48Å; F228-I240 HydrophobicContact CD1-CG1 3.92Å; F228-I240 HydrophobicContact CD2-CG1 4.1Å; F228-I240 HydrophobicContact CE1-CB 4.46Å; F228-I240 HydrophobicContact CE1-CG1 4.21Å; F228-I240 HydrophobicContact CE2-CG1 4.37Å; F228-I240 HydrophobicContact CG-CG1 3.86Å; F228-I240 HydrophobicContact CZ-CG1 4.43Å; Q236-I240 HydrophobicContact CG-CD1 4.44Å; Q236-I240 WeakPolarHBondContact O-CG1 3.39Å; Q236-I240 PolarHBondContact O-N 2.98Å; L237-I240 WeakPolarHBondContact O-CB 3.34Å; L237-I240 PolarHBondContact O-N 3.04Å; L237-I240 VanDerWaalsContact O-N 3.16Å; V238-I240 VanDerWaalsContact C-N 3.28Å; V238-I240 PolarHBondContact O-N 2.98Å; I240-K242 VanDerWaalsContact C-N 3.29Å; I240-K242 PolarHBondContact O-N 3.43Å; I240-V243 PolarHBondContact O-N 3.34Å; I240-L244 HydrophobicContact CG2-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CG 4.19Å; I240-L244 PolarHBondContact O-N 3.31Å; I240-Y302 HydrophobicContact CG2-CE1 3.67Å
241A98.6Very high98.3Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-56.6-38.2177.600000113.9L237 V238 V243 G245 T246 L249 V268 H271 Y302L237-A241 WeakPolarHBondContact O-CB 3.47Å; L237-A241 PolarHBondContact O-N 2.99Å; V238-A241 PolarHBondContact O-N 2.83Å; A241-V243 PolarHBondContact O-N 2.86Å; A241-G245 VanDerWaalsContact O-CA 3.25Å; A241-G245 WeakPolarHBondContact O-CA 3.37Å; A241-G245 PolarHBondContact O-N 2.75Å; A241-T246 HydrophobicContact CB-CG2 4.01Å; A241-L249 HydrophobicContact CB-CD2 4.39Å; A241-V268 HydrophobicContact CB-CG1 3.93Å; A241-H271 WeakPolarHBondContact O-CB 3.35Å; A241-Y302 WeakPolarHBondContact CA-OH 3.25Å; A241-Y302 PolarHBondContact N-OH 3.29Å
242K98.5Very high98.3Very high96 Ų9637.8 Ų37.842%0.41720%0.203SC..Hα-helixtrans-62.3-21.6175.4-79.4177.6176.21760114.1V238 I240 H271 K274V238-K242 HydrophobicContact CG1-CD 4.23Å; V238-K242 WeakPolarHBondContact O-CG 3.23Å; V238-K242 PolarHBondContact O-N 3.18Å; I240-K242 VanDerWaalsContact C-N 3.29Å; I240-K242 PolarHBondContact O-N 3.43Å; K242-H271 WeakPolarHBondContact CE-NE2 3.4Å; K242-H271 VanDerWaalsContact CG-NE2 3.32Å; K242-H271 WeakPolarHBondContact CG-NE2 3.14Å; K242-K274 WeakPolarHBondContact O-CE 3.37Å; K242-K274 VanDerWaalsContact O-CG 3.27Å; K242-K274 WeakPolarHBondContact O-CG 3.3Å
243V98.7Very high98.3Very high14 Ų1434.5 Ų34.59%0.08519%0.185CC..Hα-helixtrans-102.9-55.4179-178.50000111.4F227 F228 I240 A241 G245 R273 K274 W276 F279F227-V243 HydrophobicContact CE1-CG1 4.42Å; F228-V243 HydrophobicContact CD1-CG2 4.37Å; F228-V243 HydrophobicContact CE1-CB 3.86Å; F228-V243 HydrophobicContact CE1-CG1 4.33Å; F228-V243 HydrophobicContact CE1-CG2 3.75Å; I240-V243 PolarHBondContact O-N 3.34Å; A241-V243 PolarHBondContact O-N 2.86Å; V243-G245 VanDerWaalsContact C-N 3.3Å; V243-G245 PolarHBondContact O-N 2.9Å; V243-R273 WeakPolarHBondContact O-CA 3.41Å; V243-K274 PolarHBondContact O-N 3.17Å; V243-W276 HydrophobicContact CG1-CH2 4.17Å; V243-W276 HydrophobicContact CG1-CZ3 3.98Å; V243-F279 HydrophobicContact CB-CZ 4.43Å; V243-F279 HydrophobicContact CG1-CE2 3.86Å; V243-F279 HydrophobicContact CG1-CZ 3.83Å; V243-F279 HydrophobicContact CG2-CZ 3.82Å
244L98.8Very high98.4Very high3 Ų336.7 Ų36.72%0.01620%0.197CC..Hα-helixtrans-80.1-13.7-173.7-60.6-172.3000113.4W211 I240 R273 W276 L300 Y302W211-L244 HydrophobicContact CH2-CD1 3.59Å; W211-L244 HydrophobicContact CZ3-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CG 4.19Å; I240-L244 PolarHBondContact O-N 3.31Å; L244-R273 WeakPolarHBondContact O-CB 3.42Å; L244-R273 WeakPolarHBondContact O-CG 3.33Å; L244-R273 PolarHBondContact O-NH1 2.99Å; L244-W276 HydrophobicContact CD2-CH2 3.97Å; L244-W276 HydrophobicContact CD2-CZ2 3.98Å; L244-L300 WeakPolarHBondContact CD1-O 3.36Å; L244-L300 HydrophobicContact CD2-CB 4.41Å; L244-Y302 HydrophobicContact CB-CD2 4.28Å; L244-Y302 HydrophobicContact CB-CE2 3.4Å; L244-Y302 VanDerWaalsContact CB-CE2 3.4Å; L244-Y302 HydrophobicContact CD1-CD2 4.37Å; L244-Y302 HydrophobicContact CD1-CE1 4.49Å; L244-Y302 HydrophobicContact CD1-CE2 4.08Å; L244-Y302 HydrophobicContact CG-CE2 4.4Å
245G98.5Very high98.4Very high3 Ų338.4 Ų38.43%0.03120%0.203CC..  trans85.8152-179.800000113A241 V243 H271 Y302A241-G245 VanDerWaalsContact O-CA 3.25Å; A241-G245 WeakPolarHBondContact O-CA 3.37Å; A241-G245 PolarHBondContact O-N 2.75Å; V243-G245 VanDerWaalsContact C-N 3.3Å; V243-G245 PolarHBondContact O-N 2.9Å; G245-H271 CarbonylContact C-O 3.56Å; G245-H271 VanDerWaalsContact CA-O 3.25Å; G245-H271 WeakPolarHBondContact CA-O 3.4Å; G245-Y302 WeakPolarHBondContact O-CE2 3.39Å; G245-Y302 PolarHBondContact O-OH 3.37Å
246T98.4Very high98.4Very high7 Ų738.9 Ų38.94%0.04320%0.203CC..Hα-helixtrans-83.8-20-176.453.30000113.2A241 L249 N250 V268 G269 H271A241-T246 HydrophobicContact CB-CG2 4.01Å; T246-L249 PolarHBondContact O-N 3.19Å; T246-N250 WeakPolarHBondContact O-CB 3.43Å; T246-N250 PolarHBondContact O-N 2.97Å; T246-N250 PolarHBondContact O-OD1 3.15Å; T246-V268 HydrophobicContact CG2-CG1 3.75Å; T246-G269 WeakPolarHBondContact CG2-O 3.48Å; T246-H271 HydrophobicContact CG2-CB 4.1Å; T246-H271 PolarHBondContact N-O 2.94Å; T246-H271 PolarHBondContact OG1-N 2.99Å; T246-H271 PolarHBondContact OG1-O 3.18Å
247E98.3Very high98.4Very high166 Ų16647.1 Ų47.178%0.77624%0.241SC*.Hα-helixtrans-62.8-48.5177.3-175.2177179.700111.9L249 N250 A251E247-L249 VanDerWaalsContact C-N 3.32Å; E247-L249 PolarHBondContact O-N 3.07Å; E247-N250 PolarHBondContact O-N 3.47Å; E247-A251 PolarHBondContact O-N 3.4Å
248A98.3Very high98.3Very high44 Ų4448.4 Ų48.436%0.36425%0.248SC..Hα-helixtrans-67.8-31.9176.500000112.5Y252 Y302A248-Y252 WeakPolarHBondContact O-CB 3.38Å; A248-Y252 PolarHBondContact O-N 2.9Å; A248-Y252 VanDerWaalsContact O-N 3.07Å; A248-Y302 HydrophobicContact CB-CD2 3.78Å; A248-Y302 HydrophobicContact CB-CE2 4.1Å
249L98.5Very high98.1Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-63.1-47.5171.8176.158.5000110.7L237 A241 T246 E247 A251 Y252 L253 V268 Y302L237-L249 HydrophobicContact CD1-CD1 4.36Å; L237-L249 HydrophobicContact CD1-CD2 4.45Å; A241-L249 HydrophobicContact CB-CD2 4.39Å; T246-L249 PolarHBondContact O-N 3.19Å; E247-L249 VanDerWaalsContact C-N 3.32Å; E247-L249 PolarHBondContact O-N 3.07Å; L249-A251 VanDerWaalsContact C-N 3.35Å; L249-A251 PolarHBondContact O-N 3.2Å; L249-Y252 HydrophobicContact CD1-CD1 4.37Å; L249-Y252 WeakPolarHBondContact O-CB 3.37Å; L249-Y252 PolarHBondContact O-N 3.13Å; L249-L253 HydrophobicContact CD1-CD1 4.1Å; L249-L253 HydrophobicContact CD1-CD2 4.49Å; L249-L253 HydrophobicContact CD1-CG 4.08Å; L249-L253 HydrophobicContact CG-CD1 3.97Å; L249-L253 HydrophobicContact CG-CG 4.4Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 3.49Å; L249-V268 HydrophobicContact CD2-CG1 3.82Å; L249-Y302 HydrophobicContact CB-CD1 4.35Å; L249-Y302 HydrophobicContact CB-CD2 4.3Å; L249-Y302 HydrophobicContact CB-CE1 3.99Å; L249-Y302 HydrophobicContact CB-CE2 3.92Å; L249-Y302 HydrophobicContact CB-CG 4.49Å; L249-Y302 HydrophobicContact CD1-CD1 3.82Å; L249-Y302 HydrophobicContact CD1-CE1 3.76Å; L249-Y302 HydrophobicContact CG-CE1 4.31Å
250N98.1Very high97.8Very high82 Ų8255.9 Ų55.944%0.43928%0.284SS..Hα-helixtrans-63.6-40.5179.8-67.4-6.3000111.7T246 E247 Y252 L253 N254T246-N250 WeakPolarHBondContact O-CB 3.43Å; T246-N250 PolarHBondContact O-N 2.97Å; T246-N250 PolarHBondContact O-OD1 3.15Å; E247-N250 PolarHBondContact O-N 3.47Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 3.08Å; N250-L253 PolarHBondContact O-N 3.49Å; N250-N254 WeakPolarHBondContact O-CB 3.23Å; N250-N254 PolarHBondContact O-N 2.95Å; N250-N254 PolarHBondContact O-ND2 2.92Å
251A98.3Very high97.4Very high59 Ų5958.7 Ų58.749%0.48830%0.299SS..Hα-helixtrans-60.9-41.8174.200000112.2E247 L249 K255E247-A251 PolarHBondContact O-N 3.4Å; L249-A251 VanDerWaalsContact C-N 3.35Å; L249-A251 PolarHBondContact O-N 3.2Å; A251-K255 WeakPolarHBondContact O-CB 3.49Å; A251-K255 PolarHBondContact O-N 3.3Å
252Y98.5Very high97.2Very high4 Ų463.7 Ų63.72%0.01633%0.331CS..Hα-helixtrans-62.5-50.7175168.9-113.5000112.1P195 V199 L201 A248 L249 N250 N254 K255 Y256 I258 D303 H304P195-Y252 HydrophobicContact CB-CE1 4.38Å; V199-Y252 HydrophobicContact CG2-CE1 3.9Å; L201-Y252 HydrophobicContact CD2-CE2 4.48Å; L201-Y252 VanDerWaalsContact CD2-OH 3.23Å; L201-Y252 WeakPolarHBondContact CD2-OH 3.36Å; A248-Y252 WeakPolarHBondContact O-CB 3.38Å; A248-Y252 PolarHBondContact O-N 2.9Å; A248-Y252 VanDerWaalsContact O-N 3.07Å; L249-Y252 HydrophobicContact CD1-CD1 4.37Å; L249-Y252 WeakPolarHBondContact O-CB 3.37Å; L249-Y252 PolarHBondContact O-N 3.13Å; N250-Y252 VanDerWaalsContact C-N 3.33Å; N250-Y252 PolarHBondContact O-N 3.08Å; Y252-N254 VanDerWaalsContact C-N 3.33Å; Y252-N254 PolarHBondContact O-N 3.4Å; Y252-K255 PolarHBondContact O-N 3.42Å; Y252-Y256 AromaticContact CD2-CD2 3.46Å; Y252-Y256 HydrophobicContact CD2-CD2 3.46Å; Y252-Y256 VanDerWaalsContact CD2-CD2 3.46Å; Y252-Y256 AromaticContact CD2-CE2 3.47Å; Y252-Y256 HydrophobicContact CD2-CE2 3.47Å; Y252-Y256 VanDerWaalsContact CD2-CE2 3.47Å; Y252-Y256 AromaticContact CE2-CD2 3.35Å; Y252-Y256 HydrophobicContact CE2-CD2 3.35Å; Y252-Y256 AromaticContact CE2-CE2 3.37Å; Y252-Y256 HydrophobicContact CE2-CE2 3.37Å; Y252-Y256 HydrophobicContact CE2-CG 4.41Å; Y252-Y256 HydrophobicContact CG-CD2 4.44Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.47Å; Y252-Y256 PolarHBondContact O-N 3.14Å; Y252-I258 HydrophobicContact CE1-CD1 4.47Å; Y252-D303 HydrophobicContact CD2-CB 3.98Å; Y252-H304 AromaticContact CE2-ND1 3.69Å
253L98.1Very high96.9Very high11 Ų1166.1 Ų66.16%0.05834%0.344CS..Hα-helixtrans-57.5-46.2178.3-68.2171.5000111.6V199 L249 N250 K255 Y256 H257 I258 L260V199-L253 HydrophobicContact CB-CD2 4.11Å; V199-L253 HydrophobicContact CG1-CD2 4.06Å; V199-L253 HydrophobicContact CG2-CD2 4.28Å; L249-L253 HydrophobicContact CD1-CD1 4.1Å; L249-L253 HydrophobicContact CD1-CD2 4.49Å; L249-L253 HydrophobicContact CD1-CG 4.08Å; L249-L253 HydrophobicContact CG-CD1 3.97Å; L249-L253 HydrophobicContact CG-CG 4.4Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 3.49Å; N250-L253 PolarHBondContact O-N 3.49Å; L253-K255 PolarHBondContact O-N 2.95Å; L253-Y256 PolarHBondContact O-N 3.31Å; L253-H257 PolarHBondContact O-N 2.87Å; L253-I258 HydrophobicContact CD2-CB 3.83Å; L253-I258 HydrophobicContact CD2-CD1 4.5Å; L253-I258 HydrophobicContact CD2-CG2 3.8Å; L253-I258 PolarHBondContact O-N 3.22Å; L253-L260 HydrophobicContact CD1-CD1 3.74Å; L253-L260 HydrophobicContact CD1-CD2 4.34Å; L253-L260 HydrophobicContact CD1-CG 3.75Å; L253-L260 HydrophobicContact CD2-CD2 4.03Å; L253-L260 HydrophobicContact CD2-CG 4.23Å
254N97.9Very high96.6Very high119 Ų11965.7 Ų65.764%0.63634%0.341SS*.Hα-helixtrans-62.9-42.8177.5-71.9-21.5000112.5N250 Y252 Y256 H257N250-N254 WeakPolarHBondContact O-CB 3.23Å; N250-N254 PolarHBondContact O-N 2.95Å; N250-N254 PolarHBondContact O-ND2 2.92Å; Y252-N254 VanDerWaalsContact C-N 3.33Å; Y252-N254 PolarHBondContact O-N 3.4Å; N254-Y256 VanDerWaalsContact C-N 3.28Å; N254-Y256 PolarHBondContact O-N 3.29Å; N254-H257 PolarHBondContact O-N 3.2Å
255K98.2Very high96.4Very high113 Ų11371.3 Ų71.349%0.49137%0.368SS..Hα-helixtrans-60.4-37-179.5177.2177.8173.3-179.10112.5A251 Y252 L253 D303A251-K255 WeakPolarHBondContact O-CB 3.49Å; A251-K255 PolarHBondContact O-N 3.3Å; Y252-K255 PolarHBondContact O-N 3.42Å; L253-K255 PolarHBondContact O-N 2.95Å; K255-D303 VanDerWaalsContact CD-OD2 3.22Å; K255-D303 WeakPolarHBondContact CD-OD2 3.47Å; K255-D303 WeakPolarHBondContact CE-OD2 3.45Å; K255-D303 IonicContact NZ-OD2 2.72Å; K255-D303 PolarHBondContact NZ-OD2 2.88Å
256Y98Very high96.3Very high38 Ų3875 Ų7515%0.14940%0.398CS..THydrogen-bonded Turntrans-101.97.7-178.7-65-78000113.6L201 Y252 L253 N254 I258 D303 H304 Q305L201-Y256 HydrophobicContact CD2-CD1 4.43Å; L201-Y256 HydrophobicContact CD2-CG 4.32Å; Y252-Y256 AromaticContact CD2-CD2 3.46Å; Y252-Y256 HydrophobicContact CD2-CD2 3.46Å; Y252-Y256 VanDerWaalsContact CD2-CD2 3.46Å; Y252-Y256 AromaticContact CD2-CE2 3.47Å; Y252-Y256 HydrophobicContact CD2-CE2 3.47Å; Y252-Y256 VanDerWaalsContact CD2-CE2 3.47Å; Y252-Y256 AromaticContact CE2-CD2 3.35Å; Y252-Y256 HydrophobicContact CE2-CD2 3.35Å; Y252-Y256 AromaticContact CE2-CE2 3.37Å; Y252-Y256 HydrophobicContact CE2-CE2 3.37Å; Y252-Y256 HydrophobicContact CE2-CG 4.41Å; Y252-Y256 HydrophobicContact CG-CD2 4.44Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.47Å; Y252-Y256 PolarHBondContact O-N 3.14Å; L253-Y256 PolarHBondContact O-N 3.31Å; N254-Y256 VanDerWaalsContact C-N 3.28Å; N254-Y256 PolarHBondContact O-N 3.29Å; Y256-I258 VanDerWaalsContact C-N 3.33Å; Y256-I258 PolarHBondContact O-N 2.78Å; Y256-D303 WeakPolarHBondContact CE2-OD1 3.25Å; Y256-D303 PolarHBondContact OH-OD1 2.88Å; Y256-D303 PolarHBondContact OH-OD2 2.96Å; Y256-H304 AromaticContact CE1-CE1 3.7Å; Y256-H304 AromaticContact CE2-CE1 3.85Å; Y256-H304 AromaticContact CZ-CE1 3.4Å; Y256-H304 PolarHBondContact OH-CE1 3.47Å; Y256-Q305 WeakPolarHBondContact OH-CG 3.45Å
257H97.3Very high96.2Very high172 Ų17279.5 Ų79.580%0.79642%0.421SS*.THydrogen-bonded Turntrans54.445.7-179.1-52.1-65.9000113.3L253 N254L253-H257 PolarHBondContact O-N 2.87Å; N254-H257 PolarHBondContact O-N 3.2Å
258I96.7Very high96.1Very high27 Ų2771.9 Ų71.914%0.13839%0.386CS..PPolyproline II helixtrans-102.4122.7179.8-53.8167.1000108.8V199 L201 Y252 L253 Y256V199-I258 HydrophobicContact CB-CG2 4.12Å; V199-I258 HydrophobicContact CG2-CD1 3.8Å; V199-I258 HydrophobicContact CG2-CG2 4.2Å; V199-I258 WeakPolarHBondContact O-CG2 3.33Å; L201-I258 HydrophobicContact CB-CD1 3.88Å; L201-I258 HydrophobicContact CD1-CD1 3.97Å; L201-I258 HydrophobicContact CD1-CG1 4.42Å; L201-I258 HydrophobicContact CD2-CD1 4.29Å; L201-I258 HydrophobicContact CG-CD1 4.26Å; Y252-I258 HydrophobicContact CE1-CD1 4.47Å; L253-I258 HydrophobicContact CD2-CB 3.83Å; L253-I258 HydrophobicContact CD2-CD1 4.5Å; L253-I258 HydrophobicContact CD2-CG2 3.8Å; L253-I258 PolarHBondContact O-N 3.22Å; Y256-I258 VanDerWaalsContact C-N 3.33Å; Y256-I258 PolarHBondContact O-N 2.78Å
259E94.7Very high96Very high189 Ų18972 Ų7288%0.88339%0.391SS*.PPolyproline II helixtrans-96.3129.7169.7-68.6-176.7175.400109.7
260L93.2Very high95.9Very high27 Ų2782.9 Ų82.914%0.14143%0.432CS..PPolyproline II helixtrans-75.2150.8170.4-66.3-179.2000109.6V199 L237 L253 L264 E265V199-L260 HydrophobicContact CB-CD2 4.03Å; V199-L260 HydrophobicContact CG1-CD2 3.7Å; L237-L260 HydrophobicContact CD2-CD1 4.45Å; L237-L260 HydrophobicContact CD2-CD2 4.21Å; L253-L260 HydrophobicContact CD1-CD1 3.74Å; L253-L260 HydrophobicContact CD1-CD2 4.34Å; L253-L260 HydrophobicContact CD1-CG 3.75Å; L253-L260 HydrophobicContact CD2-CD2 4.03Å; L253-L260 HydrophobicContact CD2-CG 4.23Å; L260-L264 HydrophobicContact CD2-CD2 4Å; L260-E265 HydrophobicContact CB-CB 4.27Å
261D90.5Very high95.9Very high58 Ų5881.4 Ų81.431%0.3142%0.422SS..PPolyproline II helixtrans-62.5144.5167.784.282000109.8Q263 L264 E265D261-Q263 PolarHBondContact O-N 3.44Å; D261-Q263 VanDerWaalsContact O-N 3.11Å; D261-Q263 WeakPolarHBondContact OD1-CA 3.34Å; D261-Q263 VanDerWaalsContact OD1-CB 3.22Å; D261-Q263 WeakPolarHBondContact OD1-CB 3.49Å; D261-Q263 PolarHBondContact OD1-N 3.13Å; D261-L264 PolarHBondContact O-N 3.06Å; D261-L264 VanDerWaalsContact O-N 3.08Å; D261-L264 PolarHBondContact OD1-N 3.28Å; D261-L264 WeakPolarHBondContact OD2-CB 3.19Å; D261-E265 PolarHBondContact O-N 3.02Å
262P93Very high95.9Very high105 Ų10582.4 Ų82.468%0.68243%0.426SS*.Hα-helixtrans-58.8-28.3-175.1-2835.1000114.6A266P262-A266 WeakPolarHBondContact O-CB 3.41Å; P262-A266 PolarHBondContact O-N 3.27Å; P262-A266 VanDerWaalsContact O-N 3.16Å
263Q93.1Very high95.9Very high147 Ų14787 Ų8769%0.68744%0.443SS*.Hα-helixtrans-73.8-42.6178.4-55.2179.3-0.100110.3D261 A266 L267D261-Q263 PolarHBondContact O-N 3.44Å; D261-Q263 VanDerWaalsContact O-N 3.11Å; D261-Q263 WeakPolarHBondContact OD1-CA 3.34Å; D261-Q263 VanDerWaalsContact OD1-CB 3.22Å; D261-Q263 WeakPolarHBondContact OD1-CB 3.49Å; D261-Q263 PolarHBondContact OD1-N 3.13Å; Q263-A266 PolarHBondContact O-N 2.94Å; Q263-L267 VanDerWaalsContact O-CG 3.28Å; Q263-L267 WeakPolarHBondContact O-CG 3.47Å; Q263-L267 PolarHBondContact O-N 3.06Å
264L92.9Very high95.9Very high5 Ų589.1 Ų89.13%0.02645%0.452CS..Hα-helixtrans-66.1-40.6175179.757.4000112.2H234 L237 L260 D261 A266 L267 V268H234-L264 HydrophobicContact CB-CD1 3.75Å; L237-L264 HydrophobicContact CB-CD1 4.48Å; L237-L264 HydrophobicContact CD2-CD1 4.17Å; L237-L264 HydrophobicContact CD2-CD2 3.91Å; L237-L264 HydrophobicContact CD2-CG 4.15Å; L260-L264 HydrophobicContact CD2-CD2 4Å; D261-L264 PolarHBondContact O-N 3.06Å; D261-L264 VanDerWaalsContact O-N 3.08Å; D261-L264 PolarHBondContact OD1-N 3.28Å; D261-L264 WeakPolarHBondContact OD2-CB 3.19Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 3.36Å; L264-L267 PolarHBondContact O-N 3.3Å; L264-V268 HydrophobicContact CD1-CG2 4.12Å; L264-V268 HydrophobicContact CG-CG2 4.42Å; L264-V268 WeakPolarHBondContact O-CB 3.21Å; L264-V268 VanDerWaalsContact O-CG2 3.29Å; L264-V268 WeakPolarHBondContact O-CG2 3.34Å; L264-V268 PolarHBondContact O-N 3.04Å
265E94.4Very high95.9Very high122 Ų12286.8 Ų86.857%0.5744%0.443SS*.Hα-helixtrans-58.3-47.2175-171.4-179.3-173.600111.2L260 D261 L267 V268 G269L260-E265 HydrophobicContact CB-CB 4.27Å; D261-E265 PolarHBondContact O-N 3.02Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 2.7Å; E265-V268 PolarHBondContact O-N 2.95Å; E265-G269 PolarHBondContact O-N 3.25Å; E265-G269 VanDerWaalsContact O-N 3.08Å
266A95.6Very high96Very high80 Ų8082 Ų8266%0.66142%0.422SS*.Hα-helixtrans-61.5-38.8176.200000112.6P262 Q263 L264P262-A266 WeakPolarHBondContact O-CB 3.41Å; P262-A266 PolarHBondContact O-N 3.27Å; P262-A266 VanDerWaalsContact O-N 3.16Å; Q263-A266 PolarHBondContact O-N 2.94Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 3.36Å
267L96.1Very high96Very high102 Ų10283.8 Ų83.853%0.53444%0.44SS..Hα-helixtrans-67.8-37.3176.6-75.5170.4000112.9H234 V238 Q263 L264 E265H234-L267 HydrophobicContact CB-CD1 4.39Å; V238-L267 HydrophobicContact CG2-CB 3.99Å; V238-L267 WeakPolarHBondContact CG2-O 3.28Å; Q263-L267 VanDerWaalsContact O-CG 3.28Å; Q263-L267 WeakPolarHBondContact O-CG 3.47Å; Q263-L267 PolarHBondContact O-N 3.06Å; L264-L267 PolarHBondContact O-N 3.3Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 2.7Å
268V96.8Very high96Very high6 Ų682.7 Ų82.74%0.03643%0.433CS..Hα-helixtrans-67-41.6177.81670000110.9L237 V238 A241 T246 L249 L264 E265 H271L237-V268 HydrophobicContact CD2-CG2 4.05Å; L237-V268 HydrophobicContact CG-CG2 4.15Å; V238-V268 HydrophobicContact CG2-CG2 4.19Å; A241-V268 HydrophobicContact CB-CG1 3.93Å; T246-V268 HydrophobicContact CG2-CG1 3.75Å; L249-V268 HydrophobicContact CD2-CG1 3.82Å; L264-V268 HydrophobicContact CD1-CG2 4.12Å; L264-V268 HydrophobicContact CG-CG2 4.42Å; L264-V268 WeakPolarHBondContact O-CB 3.21Å; L264-V268 VanDerWaalsContact O-CG2 3.29Å; L264-V268 WeakPolarHBondContact O-CG2 3.34Å; L264-V268 PolarHBondContact O-N 3.04Å; E265-V268 PolarHBondContact O-N 2.95Å; V268-H271 PolarHBondContact O-CD2 3.02Å; V268-H271 VanDerWaalsContact O-CD2 3.23Å; V268-H271 PolarHBondContact O-NE2 3.37Å
269G95.6Very high96.1Very high45 Ų4583.6 Ų83.646%0.46444%0.436SS..  trans59.5-143.2177.300000113.1T246 E265T246-G269 WeakPolarHBondContact CG2-O 3.48Å; E265-G269 PolarHBondContact O-N 3.25Å; E265-G269 VanDerWaalsContact O-N 3.08Å
270R97.4Very high96.3Very high229 Ų22977.7 Ų77.786%0.86441%0.41SS*.  trans-125.8125.3179.6-170.2174.1-178.8167.70.8111.4
271H98.1Very high96.5Very high52 Ų5280 Ų8024%0.24142%0.423CS..  trans-137.9135.9-180-63.6-57000111.8A241 K242 G245 T246 V268A241-H271 WeakPolarHBondContact O-CB 3.35Å; K242-H271 WeakPolarHBondContact CE-NE2 3.4Å; K242-H271 VanDerWaalsContact CG-NE2 3.32Å; K242-H271 WeakPolarHBondContact CG-NE2 3.14Å; G245-H271 CarbonylContact C-O 3.56Å; G245-H271 VanDerWaalsContact CA-O 3.25Å; G245-H271 WeakPolarHBondContact CA-O 3.4Å; T246-H271 HydrophobicContact CG2-CB 4.1Å; T246-H271 PolarHBondContact N-O 2.94Å; T246-H271 PolarHBondContact OG1-N 2.99Å; T246-H271 PolarHBondContact OG1-O 3.18Å; V268-H271 PolarHBondContact O-CD2 3.02Å; V268-H271 VanDerWaalsContact O-CD2 3.23Å; V268-H271 PolarHBondContact O-NE2 3.37Å
272S98.1Very high96.9Very high80 Ų8081 Ų8156%0.55944%0.438SS*.PPolyproline II helixtrans-76.9141.9167.257.10000111.2K274S272-K274 WeakPolarHBondContact O-CD 3.34Å; S272-K274 VanDerWaalsContact O-CE 3.26Å; S272-K274 WeakPolarHBondContact O-CE 3.49Å; S272-K274 PolarHBondContact O-N 3.44Å; S272-K274 PolarHBondContact O-NZ 3.38Å; S272-K274 VanDerWaalsContact O-NZ 3.11Å; S272-K274 PolarHBondContact OG-NZ 2.85Å
273R98.6Very high97Very high99 Ų9981.2 Ų81.237%0.37443%0.434SS..PPolyproline II helixtrans-54.6133.3171.9-175.4177.5-174.886.5-3.6109.8V243 L244 D297V243-R273 WeakPolarHBondContact O-CA 3.41Å; L244-R273 WeakPolarHBondContact O-CB 3.42Å; L244-R273 WeakPolarHBondContact O-CG 3.33Å; L244-R273 PolarHBondContact O-NH1 2.99Å; R273-D297 IonicContact CZ-OD1 2.73Å; R273-D297 IonicContact NH2-OD1 2.88Å; R273-D297 PolarHBondContact NH2-OD1 3.25Å; R273-D297 IonicContact NH2-OD2 3.75Å
274K98.5Very high97.3Very high56 Ų5674.3 Ų74.324%0.24340%0.401CS..PPolyproline II helixtrans-94.7134.7177.6-52.1-53.6176.3-154.50109.1K242 V243 S272K242-K274 WeakPolarHBondContact O-CE 3.37Å; K242-K274 VanDerWaalsContact O-CG 3.27Å; K242-K274 WeakPolarHBondContact O-CG 3.3Å; V243-K274 PolarHBondContact O-N 3.17Å; S272-K274 WeakPolarHBondContact O-CD 3.34Å; S272-K274 VanDerWaalsContact O-CE 3.26Å; S272-K274 WeakPolarHBondContact O-CE 3.49Å; S272-K274 PolarHBondContact O-N 3.44Å; S272-K274 PolarHBondContact O-NZ 3.38Å; S272-K274 VanDerWaalsContact O-NZ 3.11Å; S272-K274 PolarHBondContact OG-NZ 2.85Å
275P98.3Very high97.5Very high70 Ų7080 Ų8046%0.45543%0.428SS..PPolyproline II helixtrans-68144.1170.630-33.3000109.4S277 K278P275-S277 PolarHBondContact O-N 3.34Å; P275-S277 VanDerWaalsContact O-N 3.13Å; P275-K278 HydrophobicContact CG-CG 4.21Å; P275-K278 WeakPolarHBondContact O-CB 3.36Å; P275-K278 PolarHBondContact O-N 2.96Å
276W98.6Very high97.7Very high13 Ų1379.3 Ų79.35%0.04942%0.424CS..G310 helixtrans-58.6-26179.7-64.6114.5000113.2F222 F227 V243 L244 K278 F279 V293 L296 D297 L300F222-W276 AromaticContact CE2-CE3 3.82Å; F222-W276 HydrophobicContact CE2-CE3 3.82Å; F222-W276 HydrophobicContact CE2-CZ3 4.3Å; F222-W276 HydrophobicContact CZ-CB 4.2Å; F222-W276 HydrophobicContact CZ-CE3 4.03Å; F227-W276 AromaticContact CE1-CZ3 3.84Å; F227-W276 HydrophobicContact CE1-CZ3 3.84Å; F227-W276 HydrophobicContact CZ-CE3 4.42Å; F227-W276 AromaticContact CZ-CZ3 3.8Å; F227-W276 HydrophobicContact CZ-CZ3 3.8Å; V243-W276 HydrophobicContact CG1-CH2 4.17Å; V243-W276 HydrophobicContact CG1-CZ3 3.98Å; L244-W276 HydrophobicContact CD2-CH2 3.97Å; L244-W276 HydrophobicContact CD2-CZ2 3.98Å; W276-K278 PolarHBondContact O-N 3.16Å; W276-K278 VanDerWaalsContact O-N 3.08Å; W276-F279 HydrophobicContact CE3-CD2 4.08Å; W276-F279 HydrophobicContact CE3-CE2 4.19Å; W276-F279 HydrophobicContact CZ3-CE2 4.46Å; W276-F279 PolarHBondContact O-N 2.91Å; W276-V293 HydrophobicContact CB-CG1 3.7Å; W276-V293 HydrophobicContact CB-CG2 4.33Å; W276-V293 HydrophobicContact CG-CG1 3.86Å; W276-L296 HydrophobicContact CD2-CD2 4.09Å; W276-L296 HydrophobicContact CE3-CD2 3.82Å; W276-L296 HydrophobicContact CH2-CD2 4.08Å; W276-L296 HydrophobicContact CH2-CG 4.32Å; W276-L296 HydrophobicContact CZ2-CD2 4.31Å; W276-L296 HydrophobicContact CZ2-CG 4.27Å; W276-L296 HydrophobicContact CZ3-CD2 3.81Å; W276-D297 PolarHBondContact NE1-OD1 3.09Å; W276-L300 HydrophobicContact CH2-CB 4.34Å; W276-L300 HydrophobicContact CH2-CD1 3.62Å; W276-L300 HydrophobicContact CZ2-CB 4.36Å; W276-L300 HydrophobicContact CZ2-CD1 4.33Å; W276-L300 HydrophobicContact CZ3-CD1 4.38Å
277S97.8Very high97.9Very high75 Ų7575.6 Ų75.652%0.52439%0.394SS..G310 helixtrans-56.5-23.2174.7570000114.1P275 F279 I280P275-S277 PolarHBondContact O-N 3.34Å; P275-S277 VanDerWaalsContact O-N 3.13Å; S277-F279 PolarHBondContact O-N 2.94Å; S277-I280 PolarHBondContact O-N 3.47Å
278K98.1Very high98Very high149 Ų14971.7 Ų71.765%0.64837%0.374SS*.G310 helixtrans-67-17.5175.2-78-158.4171.6-1610114.5P275 W276P275-K278 HydrophobicContact CG-CG 4.21Å; P275-K278 WeakPolarHBondContact O-CB 3.36Å; P275-K278 PolarHBondContact O-N 2.96Å; W276-K278 PolarHBondContact O-N 3.16Å; W276-K278 VanDerWaalsContact O-N 3.08Å
279F98.4Very high98Very high46 Ų4672.5 Ų72.520%0.20238%0.38CS..G310 helixtrans-99-0.9179.3-55.1-78.7000112.4F222 F227 V243 W276 S277 N284F222-F279 HydrophobicContact CB-CB 4.4Å; F222-F279 HydrophobicContact CD1-CB 3.53Å; F222-F279 WeakPolarHBondContact CD1-O 3.34Å; F222-F279 HydrophobicContact CD2-CB 4.14Å; F222-F279 HydrophobicContact CE1-CB 3.71Å; F222-F279 HydrophobicContact CE2-CB 4.26Å; F222-F279 HydrophobicContact CG-CB 3.77Å; F222-F279 HydrophobicContact CZ-CB 4.08Å; F227-F279 HydrophobicContact CE2-CB 4.47Å; F227-F279 AromaticContact CE2-CD1 3.96Å; F227-F279 HydrophobicContact CE2-CD1 3.96Å; F227-F279 HydrophobicContact CE2-CD2 4.49Å; F227-F279 HydrophobicContact CE2-CE1 4.33Å; F227-F279 HydrophobicContact CE2-CG 4.04Å; F227-F279 AromaticContact CZ-CD1 3.96Å; F227-F279 HydrophobicContact CZ-CD1 3.96Å; F227-F279 HydrophobicContact CZ-CD2 4.02Å; F227-F279 AromaticContact CZ-CE1 3.95Å; F227-F279 HydrophobicContact CZ-CE1 3.95Å; F227-F279 HydrophobicContact CZ-CE2 4.02Å; F227-F279 AromaticContact CZ-CG 3.99Å; F227-F279 HydrophobicContact CZ-CG 3.99Å; F227-F279 AromaticContact CZ-CZ 3.99Å; F227-F279 HydrophobicContact CZ-CZ 3.99Å; V243-F279 HydrophobicContact CB-CZ 4.43Å; V243-F279 HydrophobicContact CG1-CE2 3.86Å; V243-F279 HydrophobicContact CG1-CZ 3.83Å; V243-F279 HydrophobicContact CG2-CZ 3.82Å; W276-F279 HydrophobicContact CE3-CD2 4.08Å; W276-F279 HydrophobicContact CE3-CE2 4.19Å; W276-F279 HydrophobicContact CZ3-CE2 4.46Å; W276-F279 PolarHBondContact O-N 2.91Å; S277-F279 PolarHBondContact O-N 2.94Å; F279-N284 PolarHBondContact O-ND2 2.93Å
280I98.5Very high98.2Very high66 Ų6675.2 Ų75.234%0.33839%0.389SS..  trans-83.9132.3177.7-54.6178.8000109.3F222 S277 N284 Q285 V288F222-I280 HydrophobicContact CE1-CG1 4.15Å; S277-I280 PolarHBondContact O-N 3.47Å; I280-N284 WeakPolarHBondContact CA-OD1 3.12Å; I280-Q285 HydrophobicContact CG2-CB 3.91Å; I280-V288 HydrophobicContact CD1-CB 4.15Å; I280-V288 HydrophobicContact CD1-CG1 3.56Å; I280-V288 HydrophobicContact CG1-CB 4.23Å; I280-V288 HydrophobicContact CG1-CG1 3.86Å; I280-V288 HydrophobicContact CG1-CG2 4.37Å
281N98.2Very high98.2Very high76 Ų7668.3 Ų68.341%0.40637%0.367SS..  trans-143.8178.8176.263.136.4000110.6D283 N284 Q285N281-D283 PolarHBondContact O-N 3.39Å; N281-D283 WeakPolarHBondContact OD1-CA 3.45Å; N281-D283 WeakPolarHBondContact OD1-CB 3.31Å; N281-D283 PolarHBondContact OD1-N 3.46Å; N281-N284 PolarHBondContact N-OD1 3.47Å; N281-N284 PolarHBondContact O-N 2.84Å; N281-N284 PolarHBondContact O-OD1 2.85Å; N281-N284 VanDerWaalsContact OD1-CG 3.26Å; N281-N284 PolarHBondContact OD1-N 3.39Å; N281-N284 PolarHBondContact OD1-ND2 2.87Å; N281-N284 PolarHBondContact OD1-OD1 3.38Å; N281-Q285 WeakPolarHBondContact O-CB 2.96Å; N281-Q285 PolarHBondContact O-N 3.05Å
282A98Very high98.3Very high77 Ų7765.8 Ų65.864%0.63636%0.355SS*.THydrogen-bonded Turntrans-58.8-29-178.300000113.5
283D97.1Very high98.3Very high111 Ų11163.6 Ų63.659%0.59434%0.338SS*.THydrogen-bonded Turntrans-82.1-16.5-175.8-61-28.7000113.6R223 N281 H286R223-D283 WeakPolarHBondContact CD-O 3.45Å; R223-D283 PolarHBondContact NH1-O 2.89Å; N281-D283 PolarHBondContact O-N 3.39Å; N281-D283 WeakPolarHBondContact OD1-CA 3.45Å; N281-D283 WeakPolarHBondContact OD1-CB 3.31Å; N281-D283 PolarHBondContact OD1-N 3.46Å; D283-H286 PolarHBondContact O-CE1 3.09Å
284N98.2Very high98.3Very high1 Ų162 Ų621%0.00534%0.337CS..THydrogen-bonded Turntrans-129.7-9.5-172.473.520.8000114.7I221 F222 R223 F279 I280 N281 H286 L287I221-N284 WeakPolarHBondContact O-CB 3.15Å; F222-N284 WeakPolarHBondContact CA-ND2 3.41Å; F222-N284 PolarHBondContact O-ND2 2.65Å; R223-N284 HydrophobicContact CB-CB 4.46Å; R223-N284 HydrophobicContact CG-CB 4.32Å; F279-N284 PolarHBondContact O-ND2 2.93Å; I280-N284 WeakPolarHBondContact CA-OD1 3.12Å; N281-N284 PolarHBondContact N-OD1 3.47Å; N281-N284 PolarHBondContact O-N 2.84Å; N281-N284 PolarHBondContact O-OD1 2.85Å; N281-N284 VanDerWaalsContact OD1-CG 3.26Å; N281-N284 PolarHBondContact OD1-N 3.39Å; N281-N284 PolarHBondContact OD1-ND2 2.87Å; N281-N284 PolarHBondContact OD1-OD1 3.38Å; N284-H286 PolarHBondContact O-N 2.78Å; N284-L287 WeakPolarHBondContact O-CB 3.22Å; N284-L287 PolarHBondContact O-N 3.32Å
285Q98.1Very high98.3Very high125 Ų12559.3 Ų59.358%0.58433%0.326SS*.G310 helixtrans-54.2-30.2-177.462.2178.62.300114.2I280 N281 L287 V288I280-Q285 HydrophobicContact CG2-CB 3.91Å; N281-Q285 WeakPolarHBondContact O-CB 2.96Å; N281-Q285 PolarHBondContact O-N 3.05Å; Q285-L287 PolarHBondContact O-N 2.92Å; Q285-V288 PolarHBondContact O-N 3Å
286H98.1Very high98.4Very high107 Ų10756 Ų5650%0.49530%0.304SS..G310 helixtrans-72.4-1017864.7-71.4000113.9D283 N284D283-H286 PolarHBondContact O-CE1 3.09Å; N284-H286 PolarHBondContact O-N 2.78Å
287L98.4Very high98.4Very high3 Ų357 Ų572%0.01631%0.31CS..G310 helixtrans-105-6.9177.7-53.9176.5000112.6D125 I128 I221 R223 N284 Q285D125-L287 HydrophobicContact CB-CD2 4.24Å; I128-L287 HydrophobicContact CD1-CB 4.49Å; I128-L287 HydrophobicContact CD1-CD1 4Å; I128-L287 HydrophobicContact CD1-CD2 3.97Å; I128-L287 HydrophobicContact CD1-CG 4.37Å; I221-L287 HydrophobicContact CB-CB 4.47Å; R223-L287 HydrophobicContact CG-CD1 4.2Å; N284-L287 WeakPolarHBondContact O-CB 3.22Å; N284-L287 PolarHBondContact O-N 3.32Å; Q285-L287 PolarHBondContact O-N 2.92Å
288V98.3Very high98.4Very high20 Ų2056.4 Ų56.412%0.12130%0.298CS..  trans-114.690.5-171-170.60000110.7I221 F222 I280 Q285 V293I221-V288 HydrophobicContact CB-CG2 4.32Å; I221-V288 WeakPolarHBondContact O-CG2 3.34Å; F222-V288 HydrophobicContact CD1-CG2 4.03Å; F222-V288 HydrophobicContact CE1-CG1 4.16Å; F222-V288 HydrophobicContact CE1-CG2 3.98Å; I280-V288 HydrophobicContact CD1-CB 4.15Å; I280-V288 HydrophobicContact CD1-CG1 3.56Å; I280-V288 HydrophobicContact CG1-CB 4.23Å; I280-V288 HydrophobicContact CG1-CG1 3.86Å; I280-V288 HydrophobicContact CG1-CG2 4.37Å; Q285-V288 PolarHBondContact O-N 3Å; V288-V293 HydrophobicContact CG1-CG2 3.53Å
289S98.2Very high98.5Very high22 Ų2249.3 Ų49.315%0.15427%0.267CS..  trans-90.2161.5171.154.60000112R129 E291 A292 V293R129-S289 PolarHBondContact NH2-OG 3.42Å; S289-E291 PolarHBondContact O-N 2.95Å; S289-A292 WeakPolarHBondContact O-CB 3.44Å; S289-A292 PolarHBondContact O-N 3.16Å; S289-A292 PolarHBondContact OG-N 3.09Å; S289-V293 PolarHBondContact O-N 3.01Å
290P98.6Very high98.5Very high103 Ų10347.1 Ų47.167%0.66926%0.258SS*.Hα-helixtrans-52.6-39171.4-27.136.3000113V293 D294P290-V293 PolarHBondContact O-N 3.45Å; P290-D294 WeakPolarHBondContact O-CB 3.44Å; P290-D294 PolarHBondContact O-N 3.27Å
291E98.7Very high98.5Very high83 Ų8347.6 Ų47.639%0.38826%0.255SS..Hα-helixtrans-67.9-35177.2-62.177-171.600112.5S289 F295 H316 P317 Y318S289-E291 PolarHBondContact O-N 2.95Å; E291-F295 VanDerWaalsContact O-CB 3.22Å; E291-F295 WeakPolarHBondContact O-CB 3.42Å; E291-F295 PolarHBondContact O-N 2.89Å; E291-H316 PolarHBondContact O-CE1 3.16Å; E291-P317 HydrophobicContact CG-CB 4.34Å; E291-Y318 HydrophobicContact CB-CD2 4.07Å
292A98.8Very high98.5Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-64.8-44.5174.600000110.7F217 I221 S289 F295 L296 Y318F217-A292 HydrophobicContact CZ-CB 4.09Å; I221-A292 HydrophobicContact CD1-CB 4.32Å; S289-A292 WeakPolarHBondContact O-CB 3.44Å; S289-A292 PolarHBondContact O-N 3.16Å; S289-A292 PolarHBondContact OG-N 3.09Å; A292-F295 PolarHBondContact O-N 3.46Å; A292-L296 WeakPolarHBondContact O-CB 3.46Å; A292-L296 PolarHBondContact O-N 3.34Å; A292-Y318 HydrophobicContact CB-CD2 3.92Å; A292-Y318 HydrophobicContact CB-CE2 3.49Å; A292-Y318 VanDerWaalsContact CB-CE2 3.49Å
293V98.8Very high98.6Very high34 Ų3441.3 Ų41.321%0.20621%0.211CC..Hα-helixtrans-64.2-47.3178.5173.30000111.1W276 V288 S289 P290 L296 D297W276-V293 HydrophobicContact CB-CG1 3.7Å; W276-V293 HydrophobicContact CB-CG2 4.33Å; W276-V293 HydrophobicContact CG-CG1 3.86Å; V288-V293 HydrophobicContact CG1-CG2 3.53Å; S289-V293 PolarHBondContact O-N 3.01Å; P290-V293 PolarHBondContact O-N 3.45Å; V293-L296 PolarHBondContact O-N 3.44Å; V293-D297 WeakPolarHBondContact O-CB 3.38Å; V293-D297 PolarHBondContact O-N 3.26Å
294D98.9Very high98.7Very high65 Ų6536.1 Ų36.135%0.34818%0.183SC..Hα-helixtrans-63-41.3178179.655.6000111.9P290 D297 K298 H316P290-D294 WeakPolarHBondContact O-CB 3.44Å; P290-D294 PolarHBondContact O-N 3.27Å; D294-D297 PolarHBondContact O-N 3.06Å; D294-K298 WeakPolarHBondContact O-CG 3.4Å; D294-K298 PolarHBondContact O-N 3.47Å; D294-K298 WeakPolarHBondContact OD1-CE 3.5Å; D294-K298 IonicContact OD1-NZ 3.89Å; D294-K298 PolarHBondContact OD1-NZ 2.99Å; D294-K298 VanDerWaalsContact OD1-NZ 3.1Å; D294-K298 IonicContact OD2-NZ 2.8Å; D294-K298 PolarHBondContact OD2-NZ 3.26Å; D294-H316 IonicContact OD2-CE1 2.78Å; D294-H316 PolarHBondContact OD2-CE1 3.4Å; D294-H316 VanDerWaalsContact OD2-CE1 3.29Å; D294-H316 IonicContact OD2-NE2 2.86Å; D294-H316 PolarHBondContact OD2-NE2 3.2Å
295F98.9Very high98.7Very high0 Ų037.9 Ų37.90%019%0.191CC..Hα-helixtrans-60.8-49.3174.3178.3-125.3000111.7I132 L136 F217 E291 A292 D297 K298 L299 L308 A313 H316 Y318 F319I132-F295 HydrophobicContact CG2-CE1 4.1Å; I132-F295 HydrophobicContact CG2-CZ 4.41Å; L136-F295 HydrophobicContact CD1-CZ 4.27Å; F217-F295 AromaticContact CD1-CD1 3.78Å; F217-F295 HydrophobicContact CD1-CD1 3.78Å; F217-F295 HydrophobicContact CD1-CE1 4Å; F217-F295 AromaticContact CE1-CD1 3.46Å; F217-F295 HydrophobicContact CE1-CD1 3.46Å; F217-F295 VanDerWaalsContact CE1-CD1 3.46Å; F217-F295 HydrophobicContact CE1-CE1 4.1Å; F217-F295 HydrophobicContact CE1-CG 4.46Å; F217-F295 HydrophobicContact CG-CD1 4.47Å; F217-F295 HydrophobicContact CG-CE1 4.3Å; F217-F295 AromaticContact CZ-CD1 3.87Å; F217-F295 HydrophobicContact CZ-CD1 3.87Å; F217-F295 HydrophobicContact CZ-CE1 4.44Å; E291-F295 VanDerWaalsContact O-CB 3.22Å; E291-F295 WeakPolarHBondContact O-CB 3.42Å; E291-F295 PolarHBondContact O-N 2.89Å; A292-F295 PolarHBondContact O-N 3.46Å; F295-D297 VanDerWaalsContact C-N 3.33Å; F295-D297 PolarHBondContact O-N 2.89Å; F295-K298 PolarHBondContact O-N 3.41Å; F295-L299 HydrophobicContact CD1-CD1 4.39Å; F295-L299 HydrophobicContact CE1-CD1 3.75Å; F295-L299 HydrophobicContact CE2-CD1 3.99Å; F295-L299 HydrophobicContact CE2-CD2 4.28Å; F295-L299 HydrophobicContact CE2-CG 4.12Å; F295-L299 HydrophobicContact CZ-CD1 3.53Å; F295-L299 HydrophobicContact CZ-CD2 4.43Å; F295-L299 HydrophobicContact CZ-CG 4.17Å; F295-L299 PolarHBondContact O-N 2.91Å; F295-L308 HydrophobicContact CD2-CD1 3.96Å; F295-L308 HydrophobicContact CE2-CD1 4.05Å; F295-A313 HydrophobicContact CE2-CB 3.68Å; F295-A313 HydrophobicContact CZ-CB 4.2Å; F295-H316 HydrophobicContact CD2-CB 4.06Å; F295-H316 AromaticContact CD2-CG 3.83Å; F295-H316 PolarHBondContact N-CE1 2.92Å; F295-Y318 HydrophobicContact CB-CG 4.42Å; F295-Y318 AromaticContact CD1-CD1 3.9Å; F295-Y318 HydrophobicContact CD1-CD1 3.9Å; F295-Y318 HydrophobicContact CD1-CE1 4.38Å; F295-Y318 HydrophobicContact CE1-CD1 4.47Å; F295-Y318 HydrophobicContact CG-CD1 4.39Å; F295-F319 HydrophobicContact CD1-CE2 4.35Å; F295-F319 HydrophobicContact CD1-CZ 4.19Å; F295-F319 HydrophobicContact CD2-CE2 4.18Å; F295-F319 AromaticContact CE1-CE2 3.95Å; F295-F319 HydrophobicContact CE1-CE2 3.95Å; F295-F319 AromaticContact CE1-CZ 3.6Å; F295-F319 HydrophobicContact CE1-CZ 3.6Å; F295-F319 AromaticContact CE2-CE2 3.74Å; F295-F319 HydrophobicContact CE2-CE2 3.74Å; F295-F319 HydrophobicContact CE2-CZ 4.23Å; F295-F319 HydrophobicContact CG-CE2 4.48Å; F295-F319 AromaticContact CZ-CE2 3.6Å; F295-F319 HydrophobicContact CZ-CE2 3.6Å; F295-F319 AromaticContact CZ-CZ 3.61Å; F295-F319 HydrophobicContact CZ-CZ 3.61Å
296L98.9Very high98.7Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-61.5-42.6179.7179.764000111.8G214 F217 A218 I221 F222 W276 A292 V293 K298 L299 L300G214-L296 WeakPolarHBondContact O-CD1 3.37Å; F217-L296 HydrophobicContact CD1-CB 3.99Å; F217-L296 HydrophobicContact CD1-CD1 3.88Å; F217-L296 HydrophobicContact CD1-CG 4.48Å; F217-L296 HydrophobicContact CE1-CB 4Å; A218-L296 HydrophobicContact CB-CD1 3.85Å; A218-L296 HydrophobicContact CB-CD2 3.91Å; I221-L296 HydrophobicContact CD1-CD2 4.16Å; F222-L296 HydrophobicContact CD2-CD2 4.48Å; F222-L296 HydrophobicContact CE2-CD2 3.53Å; F222-L296 HydrophobicContact CZ-CD2 4.15Å; W276-L296 HydrophobicContact CD2-CD2 4.09Å; W276-L296 HydrophobicContact CE3-CD2 3.82Å; W276-L296 HydrophobicContact CH2-CD2 4.08Å; W276-L296 HydrophobicContact CH2-CG 4.32Å; W276-L296 HydrophobicContact CZ2-CD2 4.31Å; W276-L296 HydrophobicContact CZ2-CG 4.27Å; W276-L296 HydrophobicContact CZ3-CD2 3.81Å; A292-L296 WeakPolarHBondContact O-CB 3.46Å; A292-L296 PolarHBondContact O-N 3.34Å; V293-L296 PolarHBondContact O-N 3.44Å; L296-K298 VanDerWaalsContact C-N 3.25Å; L296-K298 PolarHBondContact O-N 3.46Å; L296-L299 PolarHBondContact O-N 3.29Å; L296-L299 VanDerWaalsContact O-N 3.07Å; L296-L300 HydrophobicContact CD1-CD1 3.61Å; L296-L300 HydrophobicContact CD1-CG 3.9Å; L296-L300 HydrophobicContact CG-CD1 4.1Å; L296-L300 PolarHBondContact O-N 2.88Å
297D98.9Very high98.7Very high33 Ų3331 Ų3118%0.17616%0.162CC..Hα-helixtrans-59.5-38.3-179.6-166.884.8000112.1R273 W276 V293 D294 F295 L299 R301R273-D297 IonicContact CZ-OD1 2.73Å; R273-D297 IonicContact NH2-OD1 2.88Å; R273-D297 PolarHBondContact NH2-OD1 3.25Å; R273-D297 IonicContact NH2-OD2 3.75Å; W276-D297 PolarHBondContact NE1-OD1 3.09Å; V293-D297 WeakPolarHBondContact O-CB 3.38Å; V293-D297 PolarHBondContact O-N 3.26Å; D294-D297 PolarHBondContact O-N 3.06Å; F295-D297 VanDerWaalsContact C-N 3.33Å; F295-D297 PolarHBondContact O-N 2.89Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 2.92Å; D297-R301 WeakPolarHBondContact O-CD 3.29Å; D297-R301 PolarHBondContact O-NE 3.08Å; D297-R301 IonicContact OD2-CZ 3.76Å; D297-R301 IonicContact OD2-NE 3.93Å; D297-R301 PolarHBondContact OD2-NE 3.11Å; D297-R301 IonicContact OD2-NH2 2.68Å; D297-R301 PolarHBondContact OD2-NH2 3.34Å
298K98.9Very high98.8Very high63 Ų6332.2 Ų32.227%0.27417%0.168SC..Hα-helixtrans-78.3-10.8178.3-64.8168.8178.1159.70113.9D294 F295 L296 R307 L308 H316D294-K298 WeakPolarHBondContact O-CG 3.4Å; D294-K298 PolarHBondContact O-N 3.47Å; D294-K298 WeakPolarHBondContact OD1-CE 3.5Å; D294-K298 IonicContact OD1-NZ 3.89Å; D294-K298 PolarHBondContact OD1-NZ 2.99Å; D294-K298 VanDerWaalsContact OD1-NZ 3.1Å; D294-K298 IonicContact OD2-NZ 2.8Å; D294-K298 PolarHBondContact OD2-NZ 3.26Å; F295-K298 PolarHBondContact O-N 3.41Å; L296-K298 VanDerWaalsContact C-N 3.25Å; L296-K298 PolarHBondContact O-N 3.46Å; K298-R307 WeakPolarHBondContact O-CA 3.42Å; K298-L308 HydrophobicContact CB-CD1 3.65Å; K298-L308 HydrophobicContact CB-CD2 4.22Å; K298-L308 HydrophobicContact CB-CG 3.69Å; K298-L308 HydrophobicContact CD-CD1 4.24Å; K298-L308 HydrophobicContact CD-CD2 4.36Å; K298-L308 PolarHBondContact O-N 3.04Å; K298-L308 VanDerWaalsContact O-N 3.09Å; K298-H316 PolarHBondContact NZ-NE2 2.82Å
299L98.9Very high98.8Very high0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-91.4-46.2170.2-67.5-180000112.1M210 L213 F295 L296 D297 R301 R307 L308M210-L299 HydrophobicContact CB-CD2 4.36Å; M210-L299 HydrophobicContact CE-CD2 3.63Å; L213-L299 HydrophobicContact CD2-CD1 4.27Å; L213-L299 HydrophobicContact CG-CD1 4.44Å; F295-L299 HydrophobicContact CD1-CD1 4.39Å; F295-L299 HydrophobicContact CE1-CD1 3.75Å; F295-L299 HydrophobicContact CE2-CD1 3.99Å; F295-L299 HydrophobicContact CE2-CD2 4.28Å; F295-L299 HydrophobicContact CE2-CG 4.12Å; F295-L299 HydrophobicContact CZ-CD1 3.53Å; F295-L299 HydrophobicContact CZ-CD2 4.43Å; F295-L299 HydrophobicContact CZ-CG 4.17Å; F295-L299 PolarHBondContact O-N 2.91Å; L296-L299 PolarHBondContact O-N 3.29Å; L296-L299 VanDerWaalsContact O-N 3.07Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 2.92Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 2.9Å; L299-R307 WeakPolarHBondContact O-CD 3.32Å; L299-R307 WeakPolarHBondContact O-CG 3.4Å; L299-L308 HydrophobicContact CD2-CB 4.22Å
300L98.9Very high98.8Very high0 Ų031.3 Ų31.30%016%0.161CC..SBendtrans-87.666.5-174.6-66.4-176.3000112W211 A218 F228 L244 W276 L296W211-L300 HydrophobicContact CD2-CD2 3.83Å; W211-L300 HydrophobicContact CE3-CD2 3.79Å; W211-L300 HydrophobicContact CG-CD2 4.47Å; W211-L300 HydrophobicContact CH2-CD2 4.13Å; W211-L300 HydrophobicContact CZ2-CD2 4.15Å; W211-L300 HydrophobicContact CZ3-CB 4.2Å; W211-L300 HydrophobicContact CZ3-CD2 3.95Å; A218-L300 HydrophobicContact CB-CD1 4.42Å; F228-L300 HydrophobicContact CE2-CD1 3.9Å; F228-L300 HydrophobicContact CE2-CD2 4.3Å; F228-L300 HydrophobicContact CZ-CD1 4.1Å; L244-L300 WeakPolarHBondContact CD1-O 3.36Å; L244-L300 HydrophobicContact CD2-CB 4.41Å; W276-L300 HydrophobicContact CH2-CB 4.34Å; W276-L300 HydrophobicContact CH2-CD1 3.62Å; W276-L300 HydrophobicContact CZ2-CB 4.36Å; W276-L300 HydrophobicContact CZ2-CD1 4.33Å; W276-L300 HydrophobicContact CZ3-CD1 4.38Å; L296-L300 HydrophobicContact CD1-CD1 3.61Å; L296-L300 HydrophobicContact CD1-CG 3.9Å; L296-L300 HydrophobicContact CG-CD1 4.1Å; L296-L300 PolarHBondContact O-N 2.88Å
301R98.9Very high98.8Very high77 Ų7733 Ų3329%0.29116%0.155SC..  trans-106.6141.4171.7-57.5-63.1179.784-6110.7W211 D297 L299 D306 R307W211-R301 WeakPolarHBondContact CZ3-O 3.31Å; D297-R301 WeakPolarHBondContact O-CD 3.29Å; D297-R301 PolarHBondContact O-NE 3.08Å; D297-R301 IonicContact OD2-CZ 3.76Å; D297-R301 IonicContact OD2-NE 3.93Å; D297-R301 PolarHBondContact OD2-NE 3.11Å; D297-R301 IonicContact OD2-NH2 2.68Å; D297-R301 PolarHBondContact OD2-NH2 3.34Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 2.9Å; R301-D306 HydrophobicContact CB-CB 4.16Å; R301-D306 HydrophobicContact CG-CB 4.21Å; R301-R307 HydrophobicContact CB-CG 4.02Å; R301-R307 PolarHBondContact O-NE 2.95Å; R301-R307 PolarHBondContact O-NH2 2.67Å
302Y98.9Very high98.8Very high8 Ų832.7 Ų32.73%0.03115%0.153CC..SBendtrans-58.6-57.6172.5-75.8-69.7000110.5P195 I240 A241 L244 G245 A248 L249 H304 R307P195-Y302 HydrophobicContact CB-CD1 3.89Å; P195-Y302 HydrophobicContact CG-CD1 3.72Å; P195-Y302 HydrophobicContact CG-CE1 4.26Å; I240-Y302 HydrophobicContact CG2-CE1 3.67Å; A241-Y302 WeakPolarHBondContact CA-OH 3.25Å; A241-Y302 PolarHBondContact N-OH 3.29Å; L244-Y302 HydrophobicContact CB-CD2 4.28Å; L244-Y302 HydrophobicContact CB-CE2 3.4Å; L244-Y302 VanDerWaalsContact CB-CE2 3.4Å; L244-Y302 HydrophobicContact CD1-CD2 4.37Å; L244-Y302 HydrophobicContact CD1-CE1 4.49Å; L244-Y302 HydrophobicContact CD1-CE2 4.08Å; L244-Y302 HydrophobicContact CG-CE2 4.4Å; G245-Y302 WeakPolarHBondContact O-CE2 3.39Å; G245-Y302 PolarHBondContact O-OH 3.37Å; A248-Y302 HydrophobicContact CB-CD2 3.78Å; A248-Y302 HydrophobicContact CB-CE2 4.1Å; L249-Y302 HydrophobicContact CB-CD1 4.35Å; L249-Y302 HydrophobicContact CB-CD2 4.3Å; L249-Y302 HydrophobicContact CB-CE1 3.99Å; L249-Y302 HydrophobicContact CB-CE2 3.92Å; L249-Y302 HydrophobicContact CB-CG 4.49Å; L249-Y302 HydrophobicContact CD1-CD1 3.82Å; L249-Y302 HydrophobicContact CD1-CE1 3.76Å; L249-Y302 HydrophobicContact CG-CE1 4.31Å; Y302-H304 PolarHBondContact O-N 3.27Å; Y302-H304 VanDerWaalsContact O-N 3.1Å; Y302-R307 PolarHBondContact O-NH2 3.29Å
303D98.8Very high98.8Very high13 Ų1332.7 Ų32.77%0.0715%0.153CC..SBendtrans-64.2113.3175.7-161.8-24.7000110Y252 K255 Y256 Q305 D306Y252-D303 HydrophobicContact CD2-CB 3.98Å; K255-D303 VanDerWaalsContact CD-OD2 3.22Å; K255-D303 WeakPolarHBondContact CD-OD2 3.47Å; K255-D303 WeakPolarHBondContact CE-OD2 3.45Å; K255-D303 IonicContact NZ-OD2 2.72Å; K255-D303 PolarHBondContact NZ-OD2 2.88Å; Y256-D303 WeakPolarHBondContact CE2-OD1 3.25Å; Y256-D303 PolarHBondContact OH-OD1 2.88Å; Y256-D303 PolarHBondContact OH-OD2 2.96Å; D303-Q305 PolarHBondContact O-N 3.06Å; D303-Q305 VanDerWaalsContact OD1-CB 3.31Å; D303-Q305 WeakPolarHBondContact OD1-CB 3.46Å; D303-Q305 PolarHBondContact OD1-N 2.87Å; D303-D306 HydrophobicContact CB-CB 4.23Å; D303-D306 PolarHBondContact O-N 3.31Å
304H98.8Very high98.8Very high2 Ų231.8 Ų31.81%0.00915%0.147CC..G310 helixtrans-64.3-24.8-179.959.5-80.6000112S2 L201 D205 S207 Y252 Y256 Y302 D306S2-H304 PolarHBondContact OG-NE2 3.09Å; L201-H304 VanDerWaalsContact CD2-CE1 3.47Å; L201-H304 WeakPolarHBondContact CD2-CE1 3.15Å; D205-H304 IonicContact OD2-CD2 3.76Å; S207-H304 VanDerWaalsContact CB-O 3.25Å; S207-H304 WeakPolarHBondContact CB-O 3.47Å; S207-H304 WeakPolarHBondContact OG-CB 3.43Å; Y252-H304 AromaticContact CE2-ND1 3.69Å; Y256-H304 AromaticContact CE1-CE1 3.7Å; Y256-H304 AromaticContact CE2-CE1 3.85Å; Y256-H304 AromaticContact CZ-CE1 3.4Å; Y256-H304 PolarHBondContact OH-CE1 3.47Å; Y302-H304 PolarHBondContact O-N 3.27Å; Y302-H304 VanDerWaalsContact O-N 3.1Å; H304-D306 VanDerWaalsContact C-N 3.31Å; H304-D306 PolarHBondContact O-N 3.44Å
305Q98.6Very high98.8Very high37 Ų3731.8 Ų31.817%0.17316%0.156CC..G310 helixtrans-72.9-20.7173.7-62.1-72.4-40.400113S2 K3 R5 D205 Y256 D303S2-Q305 PolarHBondContact OG-NE2 3.21Å; S2-Q305 VanDerWaalsContact OG-NE2 3.15Å; K3-Q305 PolarHBondContact O-NE2 3.24Å; K3-Q305 PolarHBondContact O-OE1 3.03Å; R5-Q305 WeakPolarHBondContact CD-O 3.16Å; R5-Q305 VanDerWaalsContact CG-OE1 3.25Å; R5-Q305 PolarHBondContact NH1-O 3.42Å; D205-Q305 PolarHBondContact OD2-NE2 3.03Å; Y256-Q305 WeakPolarHBondContact OH-CG 3.45Å; D303-Q305 PolarHBondContact O-N 3.06Å; D303-Q305 VanDerWaalsContact OD1-CB 3.31Å; D303-Q305 WeakPolarHBondContact OD1-CB 3.46Å; D303-Q305 PolarHBondContact OD1-N 2.87Å
306D98.6Very high98.8Very high85 Ų8532.2 Ų32.246%0.45516%0.158SC..G310 helixtrans-90-7.6-179.3-68.8-17.3000113R301 D303 H304R301-D306 HydrophobicContact CB-CB 4.16Å; R301-D306 HydrophobicContact CG-CB 4.21Å; D303-D306 HydrophobicContact CB-CB 4.23Å; D303-D306 PolarHBondContact O-N 3.31Å; H304-D306 VanDerWaalsContact C-N 3.31Å; H304-D306 PolarHBondContact O-N 3.44Å
307R98.9Very high98.8Very high4 Ų435.9 Ų35.92%0.01518%0.181CC..SBendtrans-72.9149.2-179.9-56.4-179.6-165.6147.29110.2R5 E196 S207 K298 L299 R301 Y302 T309R5-R307 PolarHBondContact NH1-O 3.25Å; E196-R307 IonicContact OE1-CZ 2.87Å; E196-R307 IonicContact OE1-NH1 2.78Å; E196-R307 PolarHBondContact OE1-NH1 2.87Å; E196-R307 IonicContact OE1-NH2 2.72Å; E196-R307 IonicContact OE2-CZ 3.81Å; E196-R307 IonicContact OE2-NH1 3.83Å; E196-R307 PolarHBondContact OE2-NH1 2.81Å; E196-R307 IonicContact OE2-NH2 2.72Å; E196-R307 PolarHBondContact OE2-NH2 2.98Å; S207-R307 PolarHBondContact O-NH1 3.18Å; K298-R307 WeakPolarHBondContact O-CA 3.42Å; L299-R307 WeakPolarHBondContact O-CD 3.32Å; L299-R307 WeakPolarHBondContact O-CG 3.4Å; R301-R307 HydrophobicContact CB-CG 4.02Å; R301-R307 PolarHBondContact O-NE 2.95Å; R301-R307 PolarHBondContact O-NH2 2.67Å; Y302-R307 PolarHBondContact O-NH2 3.29Å; R307-T309 PolarHBondContact O-N 3.27Å
308L98.9Very high98.8Very high28 Ų2834.3 Ų34.315%0.14717%0.173CC..PPolyproline II helixtrans-59.6138.5168-62.6172.3000109.8M210 F295 K298 L299 E312 A313M210-L308 WeakPolarHBondContact CE-O 3.34Å; M210-L308 WeakPolarHBondContact CG-O 3.42Å; F295-L308 HydrophobicContact CD2-CD1 3.96Å; F295-L308 HydrophobicContact CE2-CD1 4.05Å; K298-L308 HydrophobicContact CB-CD1 3.65Å; K298-L308 HydrophobicContact CB-CD2 4.22Å; K298-L308 HydrophobicContact CB-CG 3.69Å; K298-L308 HydrophobicContact CD-CD1 4.24Å; K298-L308 HydrophobicContact CD-CD2 4.36Å; K298-L308 PolarHBondContact O-N 3.04Å; K298-L308 VanDerWaalsContact O-N 3.09Å; L299-L308 HydrophobicContact CD2-CB 4.22Å; L308-E312 HydrophobicContact CB-CB 4.26Å; L308-E312 HydrophobicContact CD2-CB 3.98Å; L308-A313 HydrophobicContact CB-CB 4.18Å; L308-A313 HydrophobicContact CD1-CB 4.35Å
309T98.9Very high98.8Very high20 Ų2031.3 Ų31.312%0.12316%0.16CC..PPolyproline II helixtrans-68.6162161.364.70000110V6 R307 R311 E312 A313V6-T309 HydrophobicContact CB-CG2 4.38Å; V6-T309 HydrophobicContact CG1-CG2 3.86Å; V6-T309 HydrophobicContact CG2-CG2 3.57Å; R307-T309 PolarHBondContact O-N 3.27Å; T309-R311 VanDerWaalsContact C-N 3.26Å; T309-R311 PolarHBondContact O-N 3.31Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.5Å; T309-E312 PolarHBondContact N-OE2 3.23Å; T309-E312 PolarHBondContact O-N 3.16Å; T309-E312 WeakPolarHBondContact OG1-CB 3.41Å; T309-E312 VanDerWaalsContact OG1-CD 3.27Å; T309-E312 WeakPolarHBondContact OG1-CG 3.29Å; T309-E312 PolarHBondContact OG1-N 3.33Å; T309-E312 PolarHBondContact OG1-OE2 3.26Å; T309-E312 VanDerWaalsContact OG1-OE2 3.1Å; T309-A313 VanDerWaalsContact O-CB 3.32Å; T309-A313 WeakPolarHBondContact O-CB 3.08Å; T309-A313 PolarHBondContact O-N 2.91Å
310A98.9Very high98.8Very high2 Ų236.7 Ų36.72%0.01719%0.188CC..Hα-helixtrans-57.9-39.4177.500000112.2L136 L139 D140 M210 A313 M314L136-A310 HydrophobicContact CD2-CB 4.24Å; L139-A310 HydrophobicContact CB-CB 4.13Å; D140-A310 HydrophobicContact CB-CB 3.6Å; M210-A310 HydrophobicContact CE-CB 4.39Å; M210-A310 HydrophobicContact SD-CB 3.85Å; A310-A313 WeakPolarHBondContact O-CB 3.24Å; A310-A313 PolarHBondContact O-N 3.38Å; A310-M314 WeakPolarHBondContact O-CG 3.47Å; A310-M314 PolarHBondContact O-N 2.89Å
311R98.8Very high98.7Very high140 Ų14042 Ų4253%0.52821%0.213SC..Hα-helixtrans-63.3-46.9174.6-172.561.162.6160.98.5113.1D140 T309 A313 M314 A315D140-R311 IonicContact OD1-NE 3Å; D140-R311 IonicContact OD2-CZ 2.91Å; D140-R311 IonicContact OD2-NE 2.6Å; D140-R311 PolarHBondContact OD2-NE 3.38Å; D140-R311 IonicContact OD2-NH2 2.6Å; D140-R311 PolarHBondContact OD2-NH2 3.18Å; T309-R311 VanDerWaalsContact C-N 3.26Å; T309-R311 PolarHBondContact O-N 3.31Å; R311-A313 VanDerWaalsContact C-N 3.32Å; R311-A313 PolarHBondContact O-N 2.95Å; R311-M314 PolarHBondContact O-N 2.87Å; R311-A315 PolarHBondContact O-N 3.3Å
312E98.9Very high98.7Very high76 Ų7638.6 Ų38.636%0.35520%0.201SC..Hα-helixtrans-63.6-39.6177.1-71165.3161.500111.4R5 L308 T309 A315 H316R5-E312 IonicContact CZ-OE2 2.75Å; R5-E312 IonicContact NH2-OE1 3.25Å; R5-E312 PolarHBondContact NH2-OE1 2.88Å; R5-E312 IonicContact NH2-OE2 3.63Å; R5-E312 PolarHBondContact NH2-OE2 3.23Å; L308-E312 HydrophobicContact CB-CB 4.26Å; L308-E312 HydrophobicContact CD2-CB 3.98Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.5Å; T309-E312 PolarHBondContact N-OE2 3.23Å; T309-E312 PolarHBondContact O-N 3.16Å; T309-E312 WeakPolarHBondContact OG1-CB 3.41Å; T309-E312 VanDerWaalsContact OG1-CD 3.27Å; T309-E312 WeakPolarHBondContact OG1-CG 3.29Å; T309-E312 PolarHBondContact OG1-N 3.33Å; T309-E312 PolarHBondContact OG1-OE2 3.26Å; T309-E312 VanDerWaalsContact OG1-OE2 3.1Å; E312-A315 WeakPolarHBondContact O-CB 3.47Å; E312-A315 PolarHBondContact O-N 3.33Å; E312-A315 VanDerWaalsContact O-N 3.14Å; E312-H316 PolarHBondContact O-N 3.44Å
313A98.9Very high98.6Very high0 Ų040.8 Ų40.80%021%0.209CC..Hα-helixtrans-59.7-46.8174.400000111.8L136 M210 F295 L308 T309 A310 R311 A315 H316 F319L136-A313 HydrophobicContact CD1-CB 3.88Å; L136-A313 HydrophobicContact CD2-CB 3.58Å; L136-A313 HydrophobicContact CG-CB 4.41Å; M210-A313 HydrophobicContact CE-CB 3.82Å; F295-A313 HydrophobicContact CE2-CB 3.68Å; F295-A313 HydrophobicContact CZ-CB 4.2Å; L308-A313 HydrophobicContact CB-CB 4.18Å; L308-A313 HydrophobicContact CD1-CB 4.35Å; T309-A313 VanDerWaalsContact O-CB 3.32Å; T309-A313 WeakPolarHBondContact O-CB 3.08Å; T309-A313 PolarHBondContact O-N 2.91Å; A310-A313 WeakPolarHBondContact O-CB 3.24Å; A310-A313 PolarHBondContact O-N 3.38Å; R311-A313 VanDerWaalsContact C-N 3.32Å; R311-A313 PolarHBondContact O-N 2.95Å; A313-A315 PolarHBondContact O-N 3.25Å; A313-H316 WeakPolarHBondContact O-CB 3.42Å; A313-H316 PolarHBondContact O-N 2.89Å; A313-F319 WeakPolarHBondContact O-CD2 3.48Å; A313-F319 WeakPolarHBondContact O-CE2 3.44Å
314M98.8Very high98.5Very high14 Ų1442.5 Ų42.57%0.06923%0.225CC..Hα-helixtrans-60.5-29.5175.2-70.5-166.5-42.500113Y133 L136 K137 A310 R311 H316 R323Y133-M314 HydrophobicContact CD2-CB 4.31Å; Y133-M314 HydrophobicContact CD2-CG 4.22Å; Y133-M314 HydrophobicContact CE2-CB 3.67Å; Y133-M314 HydrophobicContact CE2-CG 3.9Å; Y133-M314 WeakPolarHBondContact CE2-O 3.31Å; Y133-M314 HydrophobicContact CE2-SD 4.38Å; L136-M314 HydrophobicContact CB-CG 3.53Å; L136-M314 HydrophobicContact CB-SD 4.19Å; L136-M314 HydrophobicContact CD1-CG 4.11Å; L136-M314 HydrophobicContact CG-CG 4.36Å; K137-M314 HydrophobicContact CG-SD 3.87Å; A310-M314 WeakPolarHBondContact O-CG 3.47Å; A310-M314 PolarHBondContact O-N 2.89Å; R311-M314 PolarHBondContact O-N 2.87Å; M314-H316 VanDerWaalsContact C-N 3.31Å; M314-R323 PolarHBondContact O-NH1 3.13Å
315A98.7Very high98.4Very high65 Ų6543.9 Ų43.954%0.53724%0.236SC..Hα-helixtrans-78.3-12.7177.700000113.6R311 E312 A313 R323R311-A315 PolarHBondContact O-N 3.3Å; E312-A315 WeakPolarHBondContact O-CB 3.47Å; E312-A315 PolarHBondContact O-N 3.33Å; E312-A315 VanDerWaalsContact O-N 3.14Å; A313-A315 PolarHBondContact O-N 3.25Å; A315-R323 VanDerWaalsContact C-NH1 3.31Å; A315-R323 PolarHBondContact O-NH1 3.02Å; A315-R323 PolarHBondContact O-NH2 3.46Å
316H98.9Very high98Very high9 Ų945.9 Ų45.94%0.04225%0.246CC..SBendtrans-56.9144.6-175.8-161.6-94.5000112.9E291 D294 F295 K298 E312 A313 M314 Y318 F319 R323E291-H316 PolarHBondContact O-CE1 3.16Å; D294-H316 IonicContact OD2-CE1 2.78Å; D294-H316 PolarHBondContact OD2-CE1 3.4Å; D294-H316 VanDerWaalsContact OD2-CE1 3.29Å; D294-H316 IonicContact OD2-NE2 2.86Å; D294-H316 PolarHBondContact OD2-NE2 3.2Å; F295-H316 HydrophobicContact CD2-CB 4.06Å; F295-H316 AromaticContact CD2-CG 3.83Å; F295-H316 PolarHBondContact N-CE1 2.92Å; K298-H316 PolarHBondContact NZ-NE2 2.82Å; E312-H316 PolarHBondContact O-N 3.44Å; A313-H316 WeakPolarHBondContact O-CB 3.42Å; A313-H316 PolarHBondContact O-N 2.89Å; M314-H316 VanDerWaalsContact C-N 3.31Å; H316-Y318 WeakPolarHBondContact ND1-CB 3.39Å; H316-Y318 PolarHBondContact ND1-N 2.98Å; H316-Y318 PolarHBondContact O-N 3.45Å; H316-Y318 VanDerWaalsContact O-N 3.11Å; H316-F319 HydrophobicContact CB-CD2 4.12Å; H316-F319 HydrophobicContact CB-CE2 4.37Å; H316-F319 PolarHBondContact O-N 3.45Å; H316-R323 PolarHBondContact O-NH1 2.86Å
317P98.7Very high97.5Very high77 Ų7746.8 Ų46.850%0.525%0.251SS..G310 helixtrans-54.1-29176.7-30.236.9000114.7E291 F319 L320E291-P317 HydrophobicContact CG-CB 4.34Å; P317-F319 PolarHBondContact O-N 3.22Å; P317-F319 VanDerWaalsContact O-N 3.07Å; P317-L320 VanDerWaalsContact O-CB 3.28Å; P317-L320 WeakPolarHBondContact O-CB 3.46Å; P317-L320 PolarHBondContact O-N 3.19Å
318Y98.8Very high97Very high0 Ų050.7 Ų50.70%028%0.279CS..G310 helixtrans-53-30.6175.2-174.7-114.5000113.3R129 F217 E291 A292 F295 H316R129-Y318 HydrophobicContact CB-CE1 4.25Å; R129-Y318 WeakPolarHBondContact CD-O 3.39Å; R129-Y318 HydrophobicContact CG-CD1 4.1Å; R129-Y318 HydrophobicContact CG-CD2 4.33Å; R129-Y318 HydrophobicContact CG-CE1 3.49Å; R129-Y318 VanDerWaalsContact CG-CE1 3.49Å; R129-Y318 HydrophobicContact CG-CE2 3.73Å; R129-Y318 HydrophobicContact CG-CG 4.48Å; R129-Y318 WeakPolarHBondContact CG-OH 3.46Å; R129-Y318 VanDerWaalsContact CZ-CE2 3.44Å; R129-Y318 PolarHBondContact NH1-O 3.05Å; F217-Y318 AromaticContact CE2-CE1 3.55Å; F217-Y318 HydrophobicContact CE2-CE1 3.55Å; F217-Y318 AromaticContact CE2-CZ 3.69Å; F217-Y318 WeakPolarHBondContact CE2-OH 3.32Å; F217-Y318 HydrophobicContact CZ-CD1 4.23Å; F217-Y318 AromaticContact CZ-CE1 3.48Å; F217-Y318 HydrophobicContact CZ-CE1 3.48Å; F217-Y318 VanDerWaalsContact CZ-CE1 3.48Å; F217-Y318 HydrophobicContact CZ-CE2 4.25Å; F217-Y318 AromaticContact CZ-CZ 3.5Å; E291-Y318 HydrophobicContact CB-CD2 4.07Å; A292-Y318 HydrophobicContact CB-CD2 3.92Å; A292-Y318 HydrophobicContact CB-CE2 3.49Å; A292-Y318 VanDerWaalsContact CB-CE2 3.49Å; F295-Y318 HydrophobicContact CB-CG 4.42Å; F295-Y318 AromaticContact CD1-CD1 3.9Å; F295-Y318 HydrophobicContact CD1-CD1 3.9Å; F295-Y318 HydrophobicContact CD1-CE1 4.38Å; F295-Y318 HydrophobicContact CE1-CD1 4.47Å; F295-Y318 HydrophobicContact CG-CD1 4.39Å; H316-Y318 WeakPolarHBondContact ND1-CB 3.39Å; H316-Y318 PolarHBondContact ND1-N 2.98Å; H316-Y318 PolarHBondContact O-N 3.45Å; H316-Y318 VanDerWaalsContact O-N 3.11Å
319F98.8Very high96.1Very high0 Ų058.2 Ų58.20%031%0.305CS..G310 helixtrans-99.59.2179.8-54.4-72000114.5R129 I132 Y133 L136 F295 A313 H316 P317 Q321 V322 R323R129-F319 HydrophobicContact CB-CD1 4.46Å; R129-F319 WeakPolarHBondContact O-CD1 3.49Å; R129-F319 WeakPolarHBondContact O-CE1 3.26Å; I132-F319 HydrophobicContact CB-CE1 4.14Å; I132-F319 HydrophobicContact CB-CZ 4.4Å; I132-F319 HydrophobicContact CG2-CE1 3.87Å; I132-F319 HydrophobicContact CG2-CZ 3.63Å; Y133-F319 HydrophobicContact CD2-CB 3.68Å; Y133-F319 AromaticContact CD2-CD1 3.78Å; Y133-F319 HydrophobicContact CD2-CD1 3.78Å; Y133-F319 HydrophobicContact CD2-CD2 4.24Å; Y133-F319 HydrophobicContact CD2-CE1 4.48Å; Y133-F319 AromaticContact CD2-CG 3.63Å; Y133-F319 HydrophobicContact CD2-CG 3.63Å; Y133-F319 HydrophobicContact CE2-CB 4.05Å; Y133-F319 HydrophobicContact CE2-CG 4.38Å; Y133-F319 HydrophobicContact CG-CD1 4.22Å; Y133-F319 HydrophobicContact CG-CG 4.5Å; L136-F319 HydrophobicContact CD1-CD2 4.49Å; L136-F319 HydrophobicContact CD1-CE1 4.4Å; L136-F319 HydrophobicContact CD1-CE2 3.67Å; L136-F319 HydrophobicContact CD1-CZ 3.62Å; F295-F319 HydrophobicContact CD1-CE2 4.35Å; F295-F319 HydrophobicContact CD1-CZ 4.19Å; F295-F319 HydrophobicContact CD2-CE2 4.18Å; F295-F319 AromaticContact CE1-CE2 3.95Å; F295-F319 HydrophobicContact CE1-CE2 3.95Å; F295-F319 AromaticContact CE1-CZ 3.6Å; F295-F319 HydrophobicContact CE1-CZ 3.6Å; F295-F319 AromaticContact CE2-CE2 3.74Å; F295-F319 HydrophobicContact CE2-CE2 3.74Å; F295-F319 HydrophobicContact CE2-CZ 4.23Å; F295-F319 HydrophobicContact CG-CE2 4.48Å; F295-F319 AromaticContact CZ-CE2 3.6Å; F295-F319 HydrophobicContact CZ-CE2 3.6Å; F295-F319 AromaticContact CZ-CZ 3.61Å; F295-F319 HydrophobicContact CZ-CZ 3.61Å; A313-F319 WeakPolarHBondContact O-CD2 3.48Å; A313-F319 WeakPolarHBondContact O-CE2 3.44Å; H316-F319 HydrophobicContact CB-CD2 4.12Å; H316-F319 HydrophobicContact CB-CE2 4.37Å; H316-F319 PolarHBondContact O-N 3.45Å; P317-F319 PolarHBondContact O-N 3.22Å; P317-F319 VanDerWaalsContact O-N 3.07Å; F319-Q321 VanDerWaalsContact C-N 3.3Å; F319-Q321 PolarHBondContact O-N 2.86Å; F319-V322 PolarHBondContact O-N 3.07Å; F319-V322 VanDerWaalsContact O-N 3.12Å; F319-R323 WeakPolarHBondContact O-CG 3.46Å; F319-R323 PolarHBondContact O-N 3.27Å
320L98Very high94.9Very high113 Ų11361 Ų6159%0.59233%0.33SS*.Hα-helixtrans-53.5-46.2-177.4-171.480.6000112.1P317 R323 A324P317-L320 VanDerWaalsContact O-CB 3.28Å; P317-L320 WeakPolarHBondContact O-CB 3.46Å; P317-L320 PolarHBondContact O-N 3.19Å; L320-R323 PolarHBondContact O-N 3.23Å; L320-A324 WeakPolarHBondContact O-CB 3.27Å; L320-A324 PolarHBondContact O-N 2.89Å
321Q97.6Very high93Very high113 Ų11370.3 Ų70.353%0.52837%0.365SS..Hα-helixtrans-64.9-40.2179.6-67.6-178.3-600112.5Y126 F319 A324 A325Y126-Q321 HydrophobicContact CE2-CB 4.28Å; F319-Q321 VanDerWaalsContact C-N 3.3Å; F319-Q321 PolarHBondContact O-N 2.86Å; Q321-A324 PolarHBondContact O-N 3.4Å; Q321-A325 PolarHBondContact O-N 3.08Å
322V98.1Very high90.8Very high4 Ų469.5 Ų69.52%0.02438%0.378CS..Hα-helixtrans-64.6-46.1178-179.50000110.3Y126 R129 Y130 Y133 F319 A324 A325 E326Y126-V322 HydrophobicContact CE2-CG2 4.17Å; R129-V322 HydrophobicContact CB-CG2 3.71Å; Y130-V322 HydrophobicContact CD2-CG1 4.24Å; Y133-V322 HydrophobicContact CD1-CG1 3.67Å; Y133-V322 HydrophobicContact CE1-CG1 4.3Å; Y133-V322 HydrophobicContact CG-CG1 3.85Å; F319-V322 PolarHBondContact O-N 3.07Å; F319-V322 VanDerWaalsContact O-N 3.12Å; V322-A324 VanDerWaalsContact C-N 3.35Å; V322-A324 PolarHBondContact O-N 2.92Å; V322-A325 PolarHBondContact O-N 3.25Å; V322-E326 PolarHBondContact O-N 3.43Å
323R97.8Very high88.4Confident55 Ų5578.6 Ų78.621%0.20842%0.42CS..Hα-helixtrans-62.2-40.7176-65.8-164.6-57-88.51.5112.3Y133 M314 A315 H316 F319 L320 E326 N327Y133-R323 HydrophobicContact CE2-CG 3.84Å; Y133-R323 WeakPolarHBondContact OH-CG 3.34Å; M314-R323 PolarHBondContact O-NH1 3.13Å; A315-R323 VanDerWaalsContact C-NH1 3.31Å; A315-R323 PolarHBondContact O-NH1 3.02Å; A315-R323 PolarHBondContact O-NH2 3.46Å; H316-R323 PolarHBondContact O-NH1 2.86Å; F319-R323 WeakPolarHBondContact O-CG 3.46Å; F319-R323 PolarHBondContact O-N 3.27Å; L320-R323 PolarHBondContact O-N 3.23Å; R323-E326 PolarHBondContact O-N 3.25Å; R323-N327 WeakPolarHBondContact O-CB 3.28Å; R323-N327 VanDerWaalsContact O-CG 3.29Å; R323-N327 PolarHBondContact O-N 3.29Å; R323-N327 PolarHBondContact O-ND2 3.08Å
324A97.1Very high87.9Confident49 Ų4982.5 Ų82.541%0.40544%0.441SS..Hα-helixtrans-62.8-41.917700000111.9L320 Q321 V322 S328L320-A324 WeakPolarHBondContact O-CB 3.27Å; L320-A324 PolarHBondContact O-N 2.89Å; Q321-A324 PolarHBondContact O-N 3.4Å; V322-A324 VanDerWaalsContact C-N 3.35Å; V322-A324 PolarHBondContact O-N 2.92Å; A324-S328 WeakPolarHBondContact O-CB 3.5Å; A324-S328 PolarHBondContact O-N 2.88Å; A324-S328 VanDerWaalsContact O-N 3.08Å; A324-S328 PolarHBondContact O-OG 3.01Å
325A95.6Very high87.3Confident30 Ų3086.1 Ų86.125%0.24846%0.461CS..Hα-helixtrans-64.5-41.4175.900000112.3Y126 Q321 V322 S328 R329Y126-A325 WeakPolarHBondContact OH-CB 3.32Å; Q321-A325 PolarHBondContact O-N 3.08Å; V322-A325 PolarHBondContact O-N 3.25Å; A325-S328 PolarHBondContact O-N 2.73Å; A325-R329 WeakPolarHBondContact O-CG 3.18Å; A325-R329 PolarHBondContact O-N 3.24Å
326E91.3Very high86.7Confident79 Ų7987.3 Ų87.337%0.36946%0.456SS..Hα-helixtrans-65.5-45.5177.6-168.1169.3175.400112Y133 K137 V322 R323 S328 R329 A330Y133-E326 WeakPolarHBondContact CE1-OE2 3.43Å; K137-E326 IonicContact NZ-OE1 3.64Å; K137-E326 PolarHBondContact NZ-OE1 3.11Å; K137-E326 IonicContact NZ-OE2 3.46Å; K137-E326 PolarHBondContact NZ-OE2 3.23Å; V322-E326 PolarHBondContact O-N 3.43Å; R323-E326 PolarHBondContact O-N 3.25Å; E326-S328 PolarHBondContact O-N 3.12Å; E326-R329 PolarHBondContact O-N 3.17Å; E326-R329 VanDerWaalsContact O-N 3.13Å; E326-A330 PolarHBondContact O-N 2.99Å; E326-A330 VanDerWaalsContact O-N 3.08Å
327N88.1Confident86Confident104 Ų10491.9 Ų91.956%0.55648%0.481SS*.Hα-helixtrans-62.1-32.2176.5-73.5-18.9000112.8R323R323-N327 WeakPolarHBondContact O-CB 3.28Å; R323-N327 VanDerWaalsContact O-CG 3.29Å; R323-N327 PolarHBondContact O-N 3.29Å; R323-N327 PolarHBondContact O-ND2 3.08Å
328S87.7Confident85.2Confident87 Ų8792.8 Ų92.861%0.60848%0.48SS*.Hα-helixtrans-72.2-32.8177.2-56.20000112.1A324 A325 E326A324-S328 WeakPolarHBondContact O-CB 3.5Å; A324-S328 PolarHBondContact O-N 2.88Å; A324-S328 VanDerWaalsContact O-N 3.08Å; A324-S328 PolarHBondContact O-OG 3.01Å; A325-S328 PolarHBondContact O-N 2.73Å; E326-S328 PolarHBondContact O-N 3.12Å
329R80.6Confident84.3Confident185 Ų18599 Ų9970%0.69851%0.512SS*.Hα-helixtrans-75.8-27.4175.3-69.3174.8-177.5-175.21.2113.2A325 E326A325-R329 WeakPolarHBondContact O-CG 3.18Å; A325-R329 PolarHBondContact O-N 3.24Å; E326-R329 PolarHBondContact O-N 3.17Å; E326-R329 VanDerWaalsContact O-N 3.13Å
330A72.8Confident83.2Confident78 Ų78106.1 Ų106.165%0.64555%0.548SS*.SBendtrans-81.6-12.2-17700000114.1E326 P332E326-A330 PolarHBondContact O-N 2.99Å; E326-A330 VanDerWaalsContact O-N 3.08Å; A330-P332 WeakPolarHBondContact O-CD 3.42Å
331R58.2Low82.1Confident198 Ų198105.5 Ų105.575%0.74755%0.545SS*.SBendtrans-80.2121.4173.5-69.8-178.5-173.5-170.11.3108.9Q333R331-Q333 PolarHBondContact O-N 2.92Å
332P53.9Low80.8Confident123 Ų123104.9 Ų104.980%0.79955%0.546SS*.  trans-60.3136167.26.40.9000108.5A330A330-P332 WeakPolarHBondContact O-CD 3.42Å
333Q48.4Very low79.2Confident267 Ų267114.1 Ų114.1100%1.24859%0.594SS**  trans-61.60170.3-77.7-171.6-200111.2R331R331-Q333 PolarHBondContact O-N 2.92Å

Retrieved 333 of 333 residues in 1817.6 ms (Link to these results)

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