A0A5K4ESV7_SCHMA Loading...

SET domain-containing protein

AlphaFold DB (A0A3Q0KPL9), UniProt , Accession A0A5K4ESV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 616 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
1M37.2Very low57.3Low165 Ų16597.5 Ų97.581%0.81351%0.507SS*.  0-48.90-83.5-174.4168.300113.6Y4 K5 L548M1-Y4 PolarHBondContact O-N 2.87Å; M1-K5 PolarHBondContact O-N 3.47Å; M1-L548 HydrophobicContact CG-CD2 4.3Å; M1-L548 VanDerWaalsContact N-CD2 3.29Å
2V31.4Very low60Low106 Ų10691.7 Ų91.764%0.64248%0.477SS*.Hα-helixtrans-61.2-46.3-178.5-178.50000112.7Y4 K5 L6V2-Y4 VanDerWaalsContact C-N 3.3Å; V2-Y4 PolarHBondContact O-N 3.49Å; V2-K5 PolarHBondContact O-N 3.17Å; V2-L6 HydrophobicContact CG1-CD1 3.92Å; V2-L6 HydrophobicContact CG1-CG 4.46Å; V2-L6 WeakPolarHBondContact O-CG 3.38Å; V2-L6 PolarHBondContact O-N 3.34Å
3N32.9Very low62.4Low114 Ų11495.3 Ų95.361%0.6149%0.487SS*.Hα-helixtrans-65.3-29.1177.8-69.2-4.9000113.9N7N3-N7 WeakPolarHBondContact O-CB 3.12Å; N3-N7 PolarHBondContact O-N 3.23Å; N3-N7 PolarHBondContact O-OD1 3.23Å
4Y45.3Very low64.5Low68 Ų6895.9 Ų95.927%0.26749%0.487SS..Hα-helixtrans-70.7-49.1178.3-82.2-95.6000110.8M1 V2 L6 N7 E8 S547 L548M1-Y4 PolarHBondContact O-N 2.87Å; V2-Y4 VanDerWaalsContact C-N 3.3Å; V2-Y4 PolarHBondContact O-N 3.49Å; Y4-L6 VanDerWaalsContact C-N 3.33Å; Y4-L6 PolarHBondContact O-N 2.93Å; Y4-N7 PolarHBondContact O-N 3.45Å; Y4-E8 WeakPolarHBondContact O-CG 2.78Å; Y4-E8 PolarHBondContact O-N 2.93Å; Y4-S547 WeakPolarHBondContact OH-CA 3.26Å; Y4-S547 WeakPolarHBondContact OH-CB 3.43Å; Y4-L548 HydrophobicContact CD1-CB 4.22Å; Y4-L548 HydrophobicContact CD2-CB 3.76Å; Y4-L548 HydrophobicContact CD2-CD1 3.59Å; Y4-L548 HydrophobicContact CD2-CD2 4.08Å; Y4-L548 HydrophobicContact CD2-CG 3.99Å; Y4-L548 HydrophobicContact CE1-CB 3.95Å; Y4-L548 HydrophobicContact CE2-CB 3.52Å; Y4-L548 HydrophobicContact CE2-CD1 3.1Å; Y4-L548 HydrophobicContact CE2-CD2 4.36Å; Y4-L548 HydrophobicContact CE2-CG 3.77Å; Y4-L548 HydrophobicContact CG-CB 4.15Å; Y4-L548 PolarHBondContact OH-N 2.71Å
5K54.3Low66.4Low136 Ų13689.5 Ų89.559%0.59145%0.454SS*.Hα-helixtrans-60.3-42.5175.7-71.7-174.8175.7-178.70112.1M1 V2 N7 E8 D9M1-K5 PolarHBondContact O-N 3.47Å; V2-K5 PolarHBondContact O-N 3.17Å; K5-N7 PolarHBondContact O-N 3.41Å; K5-E8 PolarHBondContact O-N 2.92Å; K5-D9 WeakPolarHBondContact O-CB 3.27Å; K5-D9 VanDerWaalsContact O-CG 3.28Å; K5-D9 PolarHBondContact O-N 2.85Å
6L52.4Low67.9Low103 Ų10388.4 Ų88.454%0.53945%0.45SS..Hα-helixtrans-61.6-41.3176.3-73.9170.3000112.5V2 Y4 C10V2-L6 HydrophobicContact CG1-CD1 3.92Å; V2-L6 HydrophobicContact CG1-CG 4.46Å; V2-L6 WeakPolarHBondContact O-CG 3.38Å; V2-L6 PolarHBondContact O-N 3.34Å; Y4-L6 VanDerWaalsContact C-N 3.33Å; Y4-L6 PolarHBondContact O-N 2.93Å; L6-C10 WeakPolarHBondContact O-CB 2.91Å; L6-C10 PolarHBondContact O-N 3.2Å
7N62.3Low69.2Low104 Ų10488.4 Ų88.456%0.55645%0.451SS*.Hα-helixtrans-70.5-39.3178.1-73.7-3.1000112.3N3 Y4 K5 C10 S11N3-N7 WeakPolarHBondContact O-CB 3.12Å; N3-N7 PolarHBondContact O-N 3.23Å; N3-N7 PolarHBondContact O-OD1 3.23Å; Y4-N7 PolarHBondContact O-N 3.45Å; K5-N7 PolarHBondContact O-N 3.41Å; N7-C10 PolarHBondContact O-N 3.43Å; N7-S11 WeakPolarHBondContact O-CB 2.83Å; N7-S11 PolarHBondContact O-N 2.77Å; N7-S11 PolarHBondContact O-OG 3.08Å
8E67.3Low70.3Confident81 Ų8185.6 Ų85.638%0.37943%0.434SS..Hα-helixtrans-62.7-46.9174.6-77.9177.7-16500111.7Y4 K5 C10 S11 L12Y4-E8 WeakPolarHBondContact O-CG 2.78Å; Y4-E8 PolarHBondContact O-N 2.93Å; K5-E8 PolarHBondContact O-N 2.92Å; E8-C10 VanDerWaalsContact C-N 3.3Å; E8-C10 PolarHBondContact O-N 2.94Å; E8-S11 PolarHBondContact O-N 3.43Å; E8-L12 WeakPolarHBondContact O-CB 3.5Å; E8-L12 WeakPolarHBondContact O-CG 3.29Å; E8-L12 PolarHBondContact O-N 3.18Å
9D74.7Confident71.3Confident100 Ų10081.5 Ų81.554%0.53541%0.414SS..Hα-helixtrans-63.4-37.3178.4-71.8-24.2000111.3K5 K13K5-D9 WeakPolarHBondContact O-CB 3.27Å; K5-D9 VanDerWaalsContact O-CG 3.28Å; K5-D9 PolarHBondContact O-N 2.85Å; D9-K13 WeakPolarHBondContact O-CB 3.41Å; D9-K13 PolarHBondContact O-N 2.9Å; D9-K13 VanDerWaalsContact O-N 3.14Å
10C84.3Confident71.8Confident65 Ų6580.8 Ų80.844%0.43941%0.414SS..Hα-helixtrans-65.9-46.5174.8-164.50000111.8L6 N7 E8 L12 K13 E14L6-C10 WeakPolarHBondContact O-CB 2.91Å; L6-C10 PolarHBondContact O-N 3.2Å; N7-C10 PolarHBondContact O-N 3.43Å; E8-C10 VanDerWaalsContact C-N 3.3Å; E8-C10 PolarHBondContact O-N 2.94Å; C10-L12 PolarHBondContact O-N 3.26Å; C10-K13 PolarHBondContact O-N 3.42Å; C10-E14 WeakPolarHBondContact O-CG 3.47Å; C10-E14 PolarHBondContact O-N 3.28Å
11S88.3Confident72Confident30 Ų3079.7 Ų79.721%0.2142%0.416CS..Hα-helixtrans-64.5-41.2-178.8-55.30000111.7N7 E8 K13 E14 F15N7-S11 WeakPolarHBondContact O-CB 2.83Å; N7-S11 PolarHBondContact O-N 2.77Å; N7-S11 PolarHBondContact O-OG 3.08Å; E8-S11 PolarHBondContact O-N 3.43Å; S11-K13 VanDerWaalsContact C-N 3.33Å; S11-K13 PolarHBondContact O-N 3.21Å; S11-E14 PolarHBondContact O-N 3.04Å; S11-F15 WeakPolarHBondContact O-CB 3.5Å; S11-F15 PolarHBondContact O-N 3.12Å
12L89.9Confident73.2Confident28 Ų2872.5 Ų72.515%0.14738%0.383CS..Hα-helixtrans-63.9-38.4174.9-76.3174000112.3E8 C10 F15 D16 I37 V130E8-L12 WeakPolarHBondContact O-CB 3.5Å; E8-L12 WeakPolarHBondContact O-CG 3.29Å; E8-L12 PolarHBondContact O-N 3.18Å; C10-L12 PolarHBondContact O-N 3.26Å; L12-F15 PolarHBondContact O-N 3.22Å; L12-D16 WeakPolarHBondContact O-CB 3.08Å; L12-D16 PolarHBondContact O-N 2.84Å; L12-I37 HydrophobicContact CD2-CD1 4.07Å; L12-I37 HydrophobicContact CD2-CG2 3.94Å; L12-V130 HydrophobicContact CD2-CB 4.42Å; L12-V130 HydrophobicContact CD2-CG1 3.93Å; L12-V130 HydrophobicContact CG-CG1 4.48Å
13K90.5Very high74.2Confident139 Ų13970.7 Ų70.760%0.60438%0.375SS*.Hα-helixtrans-66.4-47175.8-172.6-172.7173.4-159.20111.5D9 C10 S11 F15 D16 D17D9-K13 WeakPolarHBondContact O-CB 3.41Å; D9-K13 PolarHBondContact O-N 2.9Å; D9-K13 VanDerWaalsContact O-N 3.14Å; C10-K13 PolarHBondContact O-N 3.42Å; S11-K13 VanDerWaalsContact C-N 3.33Å; S11-K13 PolarHBondContact O-N 3.21Å; K13-F15 VanDerWaalsContact C-N 3.26Å; K13-F15 PolarHBondContact O-N 3.46Å; K13-D16 PolarHBondContact O-N 3.24Å; K13-D16 VanDerWaalsContact O-N 3.16Å; K13-D17 WeakPolarHBondContact O-CB 3.33Å; K13-D17 VanDerWaalsContact O-CG 3.32Å; K13-D17 PolarHBondContact O-N 3.07Å
14E92Very high75.2Confident103 Ų10375.9 Ų75.948%0.48139%0.385SS..Hα-helixtrans-59.1-39.1176.2-73.8177.9-172.500111.8C10 S11 W18C10-E14 WeakPolarHBondContact O-CG 3.47Å; C10-E14 PolarHBondContact O-N 3.28Å; S11-E14 PolarHBondContact O-N 3.04Å; E14-W18 VanDerWaalsContact O-CB 3.31Å; E14-W18 WeakPolarHBondContact O-CB 3.21Å; E14-W18 PolarHBondContact O-N 3.19Å
15F93.2Very high75.6Confident0 Ų075.1 Ų75.10%039%0.386CS..Hα-helixtrans-65.4-43.5174.1-179.8-122.2000112.7S11 L12 K13 W18 L19 I37 P126 Y127 V130 P274 F275 F278S11-F15 WeakPolarHBondContact O-CB 3.5Å; S11-F15 PolarHBondContact O-N 3.12Å; L12-F15 PolarHBondContact O-N 3.22Å; K13-F15 VanDerWaalsContact C-N 3.26Å; K13-F15 PolarHBondContact O-N 3.46Å; F15-W18 AromaticContact CD2-CE3 3.88Å; F15-W18 HydrophobicContact CD2-CE3 3.88Å; F15-W18 HydrophobicContact CD2-CZ3 4.34Å; F15-W18 AromaticContact CE2-CE3 3.8Å; F15-W18 HydrophobicContact CE2-CE3 3.8Å; F15-W18 AromaticContact CE2-CZ3 3.82Å; F15-W18 HydrophobicContact CE2-CZ3 3.82Å; F15-W18 WeakPolarHBondContact O-CB 3.29Å; F15-W18 PolarHBondContact O-N 2.81Å; F15-L19 HydrophobicContact CD1-CD1 3.96Å; F15-L19 HydrophobicContact CD2-CD1 4.45Å; F15-L19 HydrophobicContact CD2-CG 4.32Å; F15-L19 HydrophobicContact CE1-CD1 3.56Å; F15-L19 HydrophobicContact CE1-CG 4.37Å; F15-L19 HydrophobicContact CE2-CD1 4.07Å; F15-L19 HydrophobicContact CE2-CD2 4.12Å; F15-L19 HydrophobicContact CE2-CG 3.99Å; F15-L19 HydrophobicContact CG-CD1 4.4Å; F15-L19 HydrophobicContact CZ-CD1 3.62Å; F15-L19 HydrophobicContact CZ-CD2 4.14Å; F15-L19 HydrophobicContact CZ-CG 4.03Å; F15-L19 VanDerWaalsContact O-CG 3.32Å; F15-L19 WeakPolarHBondContact O-CG 3.3Å; F15-L19 PolarHBondContact O-N 3.3Å; F15-I37 HydrophobicContact CD1-CD1 4.06Å; F15-I37 HydrophobicContact CE1-CD1 4.05Å; F15-P126 HydrophobicContact CB-CB 4.45Å; F15-P126 HydrophobicContact CD2-CB 4.46Å; F15-P126 WeakPolarHBondContact CD2-O 3.41Å; F15-Y127 AromaticContact CE2-CD2 3.79Å; F15-Y127 HydrophobicContact CE2-CD2 3.79Å; F15-Y127 HydrophobicContact CE2-CG 4.3Å; F15-Y127 HydrophobicContact CZ-CD2 4.05Å; F15-V130 HydrophobicContact CB-CG1 3.61Å; F15-V130 HydrophobicContact CB-CG2 4.26Å; F15-V130 HydrophobicContact CD1-CB 4.44Å; F15-V130 HydrophobicContact CD1-CG1 4.18Å; F15-V130 HydrophobicContact CD1-CG2 3.79Å; F15-V130 HydrophobicContact CD2-CG2 3.9Å; F15-V130 HydrophobicContact CE1-CG2 4Å; F15-V130 HydrophobicContact CE2-CG2 4.13Å; F15-V130 HydrophobicContact CG-CB 4.46Å; F15-V130 HydrophobicContact CG-CG1 3.97Å; F15-V130 HydrophobicContact CG-CG2 3.71Å; F15-V130 HydrophobicContact CZ-CG2 4.16Å; F15-P274 HydrophobicContact CE2-CB 4.07Å; F15-P274 HydrophobicContact CZ-CB 4.07Å; F15-F275 HydrophobicContact CE1-CB 4.47Å; F15-F275 HydrophobicContact CE1-CD2 4.41Å; F15-F275 HydrophobicContact CZ-CB 4.34Å; F15-F278 HydrophobicContact CD1-CZ 4.45Å; F15-F278 AromaticContact CE1-CE2 3.8Å; F15-F278 HydrophobicContact CE1-CE2 3.8Å; F15-F278 AromaticContact CE1-CZ 3.89Å; F15-F278 HydrophobicContact CE1-CZ 3.89Å; F15-F278 HydrophobicContact CZ-CE2 4.12Å
16D90.1Very high75.7Confident73 Ų7373.8 Ų73.839%0.3938%0.382SS..Hα-helixtrans-65.9-39177.2-169.253.1000112.4L12 K13 L19 T20 R32L12-D16 WeakPolarHBondContact O-CB 3.08Å; L12-D16 PolarHBondContact O-N 2.84Å; K13-D16 PolarHBondContact O-N 3.24Å; K13-D16 VanDerWaalsContact O-N 3.16Å; D16-L19 PolarHBondContact O-N 3.03Å; D16-T20 WeakPolarHBondContact O-CB 3.29Å; D16-T20 PolarHBondContact O-N 3.49Å; D16-T20 PolarHBondContact O-OG1 2.71Å; D16-R32 IonicContact OD1-CZ 3.32Å; D16-R32 IonicContact OD1-NH1 2.75Å; D16-R32 PolarHBondContact OD1-NH1 3.35Å; D16-R32 IonicContact OD1-NH2 3.46Å; D16-R32 PolarHBondContact OD1-NH2 3.11Å
17D89.5Confident76.1Confident88 Ų8875.1 Ų75.147%0.47139%0.394SS..Hα-helixtrans-62.3-43.9173.4-72.4-23.1000110.4K13 T20 A21K13-D17 WeakPolarHBondContact O-CB 3.33Å; K13-D17 VanDerWaalsContact O-CG 3.32Å; K13-D17 PolarHBondContact O-N 3.07Å; D17-T20 PolarHBondContact O-N 3.1Å; D17-T20 VanDerWaalsContact O-N 3.17Å; D17-A21 PolarHBondContact O-N 3.23Å
18W90Very high76.8Confident38 Ų3871.7 Ų71.714%0.14438%0.377CS..Hα-helixtrans-61.6-46.7176178.178.5000112.6E14 F15 T20 A21 H69 L70 I123 W124 P126 P274E14-W18 VanDerWaalsContact O-CB 3.31Å; E14-W18 WeakPolarHBondContact O-CB 3.21Å; E14-W18 PolarHBondContact O-N 3.19Å; F15-W18 AromaticContact CD2-CE3 3.88Å; F15-W18 HydrophobicContact CD2-CE3 3.88Å; F15-W18 HydrophobicContact CD2-CZ3 4.34Å; F15-W18 AromaticContact CE2-CE3 3.8Å; F15-W18 HydrophobicContact CE2-CE3 3.8Å; F15-W18 AromaticContact CE2-CZ3 3.82Å; F15-W18 HydrophobicContact CE2-CZ3 3.82Å; F15-W18 WeakPolarHBondContact O-CB 3.29Å; F15-W18 PolarHBondContact O-N 2.81Å; W18-T20 PolarHBondContact O-N 3.35Å; W18-A21 PolarHBondContact O-N 3.1Å; W18-H69 HydrophobicContact CH2-CB 4.03Å; W18-H69 HydrophobicContact CZ2-CB 3.72Å; W18-L70 HydrophobicContact CH2-CD2 4.46Å; W18-L70 HydrophobicContact CZ3-CD2 4.29Å; W18-I123 PolarHBondContact NE1-O 3.04Å; W18-W124 AromaticContact CH2-CD1 3.9Å; W18-W124 AromaticContact CZ2-CD1 3.92Å; W18-P126 HydrophobicContact CB-CB 3.73Å; W18-P126 HydrophobicContact CB-CG 3.85Å; W18-P126 HydrophobicContact CD2-CB 4.36Å; W18-P126 HydrophobicContact CG-CB 3.91Å; W18-P126 HydrophobicContact CG-CG 3.82Å; W18-P274 HydrophobicContact CH2-CB 4.31Å; W18-P274 HydrophobicContact CH2-CG 4.13Å; W18-P274 HydrophobicContact CZ3-CB 3.88Å; W18-P274 HydrophobicContact CZ3-CG 4.21Å
19L88.7Confident77.4Confident8 Ų876 Ų764%0.04239%0.391CS..Hα-helixtrans-63.7-25.7175.2-70.2172.4000112.8F15 D16 R32 L70 P274 F275F15-L19 HydrophobicContact CD1-CD1 3.96Å; F15-L19 HydrophobicContact CD2-CD1 4.45Å; F15-L19 HydrophobicContact CD2-CG 4.32Å; F15-L19 HydrophobicContact CE1-CD1 3.56Å; F15-L19 HydrophobicContact CE1-CG 4.37Å; F15-L19 HydrophobicContact CE2-CD1 4.07Å; F15-L19 HydrophobicContact CE2-CD2 4.12Å; F15-L19 HydrophobicContact CE2-CG 3.99Å; F15-L19 HydrophobicContact CG-CD1 4.4Å; F15-L19 HydrophobicContact CZ-CD1 3.62Å; F15-L19 HydrophobicContact CZ-CD2 4.14Å; F15-L19 HydrophobicContact CZ-CG 4.03Å; F15-L19 VanDerWaalsContact O-CG 3.32Å; F15-L19 WeakPolarHBondContact O-CG 3.3Å; F15-L19 PolarHBondContact O-N 3.3Å; D16-L19 PolarHBondContact O-N 3.03Å; L19-R32 VanDerWaalsContact CD1-NH1 3.26Å; L19-L70 HydrophobicContact CD2-CD2 3.6Å; L19-P274 HydrophobicContact CD2-CB 4.39Å; L19-F275 HydrophobicContact CD1-CB 3.85Å; L19-F275 HydrophobicContact CD1-CD2 3.62Å; L19-F275 HydrophobicContact CD1-CG 4.08Å; L19-F275 HydrophobicContact CD2-CB 4.41Å
20T82.2Confident78.2Confident67 Ų6771.6 Ų71.641%0.41137%0.368SS..Hα-helixtrans-86.7-33.2179.4-54.90000112D16 D17 W18 S22 S23 R32D16-T20 WeakPolarHBondContact O-CB 3.29Å; D16-T20 PolarHBondContact O-N 3.49Å; D16-T20 PolarHBondContact O-OG1 2.71Å; D17-T20 PolarHBondContact O-N 3.1Å; D17-T20 VanDerWaalsContact O-N 3.17Å; W18-T20 PolarHBondContact O-N 3.35Å; T20-S22 PolarHBondContact O-N 3.25Å; T20-S23 VanDerWaalsContact O-CB 3.28Å; T20-S23 WeakPolarHBondContact O-CB 3.4Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact O-OG 3.25Å; T20-R32 PolarHBondContact OG1-NH2 2.62Å; T20-R32 VanDerWaalsContact OG1-NH2 3.16Å
21A75.4Confident78.4Confident57 Ų5769 Ų6947%0.47135%0.352SS..Hα-helixtrans-58.8-32.9176.400000112.5D17 W18 S23D17-A21 PolarHBondContact O-N 3.23Å; W18-A21 PolarHBondContact O-N 3.1Å; A21-S23 PolarHBondContact O-N 3Å
22S61.5Low78.5Confident15 Ų1569.9 Ų69.911%0.10535%0.35CS..G310 helixtrans-59.3-24.1173.6153.70000114.6T20 R24 D67 L70T20-S22 PolarHBondContact O-N 3.25Å; S22-R24 PolarHBondContact O-N 3.09Å; S22-D67 WeakPolarHBondContact CB-OD2 3.48Å; S22-D67 PolarHBondContact OG-OD2 3.06Å; S22-L70 VanDerWaalsContact OG-CD1 3.31Å; S22-L70 WeakPolarHBondContact OG-CD1 3.42Å
23S52.9Low78.6Confident68 Ų6872.1 Ų72.148%0.47637%0.369SS..G310 helixtrans-70.212.9-169.166.70000117.1T20 A21 L25T20-S23 VanDerWaalsContact O-CB 3.28Å; T20-S23 WeakPolarHBondContact O-CB 3.4Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact O-OG 3.25Å; A21-S23 PolarHBondContact O-N 3Å; S23-L25 VanDerWaalsContact C-N 3.34Å
24R54.8Low78.8Confident222 Ų22266.1 Ų66.184%0.83834%0.343SS*.G310 helixtrans-84.2-11.5-179.3-61.4-173.5-172.5-176.74.8113.5S22S22-R24 PolarHBondContact O-N 3.09Å
25L54Low79Confident52 Ų5261.7 Ų61.727%0.27232%0.323SS..SBendtrans-109.5154.5170.8-67.1161.2000108S23 D66 L240S23-L25 VanDerWaalsContact C-N 3.34Å; L25-D66 WeakPolarHBondContact CB-OD2 3.45Å; L25-L240 HydrophobicContact CD1-CD1 4.47Å
26H56.5Low79Confident109 Ų10966.8 Ų66.851%0.50535%0.345SS..  trans-9.4115.2-161-72.7-63.4000117.8T28 D66H26-T28 PolarHBondContact O-N 3.16Å; H26-D66 IonicContact CD2-OD2 3.3Å; H26-D66 PolarHBondContact CD2-OD2 3.22Å; H26-D66 IonicContact CG-OD2 2.99Å; H26-D66 PolarHBondContact N-OD2 3.09Å
27T60.9Low79.1Confident131 Ų13165.3 Ų65.380%0.80434%0.336SS*.  trans-68.996.3171.855.80000109.9
28T75Confident79.2Confident32 Ų3262.1 Ų62.120%0.19632%0.321CS..  trans-74.2126.717056.20000109.3H26 P30 G31 S62 P64H26-T28 PolarHBondContact O-N 3.16Å; T28-P30 CarbonylContact O-C 3.58Å; T28-G31 WeakPolarHBondContact O-CA 3.09Å; T28-G31 PolarHBondContact O-N 3.35Å; T28-S62 WeakPolarHBondContact CB-OG 3.49Å; T28-P64 HydrophobicContact CG2-CB 3.97Å
29Y81.3Confident79Confident171 Ų17163.3 Ų63.367%0.67133%0.33SS*.SBendtrans-99.6133.1168.1178.5-92.2000109.2
30P90.3Very high78.4Confident7 Ų772.1 Ų72.15%0.04537%0.368CS..SBendcis-81.4-75.133.8-38.2000115.2T28 R32 S33 L34 C59T28-P30 CarbonylContact O-C 3.58Å; P30-R32 PolarHBondContact O-N 3.48Å; P30-S33 WeakPolarHBondContact O-CB 3.29Å; P30-S33 PolarHBondContact O-N 3.09Å; P30-S33 PolarHBondContact O-OG 3.41Å; P30-L34 HydrophobicContact CB-CD1 3.56Å; P30-L34 HydrophobicContact CB-CG 3.66Å; P30-L34 HydrophobicContact CG-CD1 3.87Å; P30-L34 HydrophobicContact CG-CG 4.37Å; P30-C59 VanDerWaalsContact CD-SG 3.59Å; P30-C59 WeakPolarHBondContact CG-O 3.45Å
31G89.3Confident78.4Confident10 Ų1070.7 Ų70.710%0.10336%0.358CS..THydrogen-bonded Turntrans62.9-123.6-171.600000109.6T28 Y61 S62T28-G31 WeakPolarHBondContact O-CA 3.09Å; T28-G31 PolarHBondContact O-N 3.35Å; G31-Y61 WeakPolarHBondContact O-CA 3.42Å; G31-Y61 WeakPolarHBondContact O-CD2 3.4Å; G31-S62 CarbonylContact C-O 3.52Å; G31-S62 VanDerWaalsContact CA-O 3.24Å; G31-S62 WeakPolarHBondContact CA-O 3.29Å; G31-S62 PolarHBondContact O-N 3.01Å
32R91.5Very high78.4Confident49 Ų4976.6 Ų76.619%0.18537%0.373CS..THydrogen-bonded Turntrans-102.4-4.1172.3-60.7-177.3-59.4117.61.3114D16 L19 T20 P30 L34 L35 Y61 F275D16-R32 IonicContact OD1-CZ 3.32Å; D16-R32 IonicContact OD1-NH1 2.75Å; D16-R32 PolarHBondContact OD1-NH1 3.35Å; D16-R32 IonicContact OD1-NH2 3.46Å; D16-R32 PolarHBondContact OD1-NH2 3.11Å; L19-R32 VanDerWaalsContact CD1-NH1 3.26Å; T20-R32 PolarHBondContact OG1-NH2 2.62Å; T20-R32 VanDerWaalsContact OG1-NH2 3.16Å; P30-R32 PolarHBondContact O-N 3.48Å; R32-L34 PolarHBondContact O-N 3.24Å; R32-L35 PolarHBondContact O-N 3.01Å; R32-Y61 HydrophobicContact CG-CD2 4.14Å; R32-Y61 HydrophobicContact CG-CE2 3.78Å; R32-F275 HydrophobicContact CB-CD1 4.48Å; R32-F275 HydrophobicContact CB-CE1 3.84Å; R32-F275 HydrophobicContact CB-CE2 4.49Å; R32-F275 HydrophobicContact CB-CZ 3.84Å; R32-F275 HydrophobicContact CG-CD1 3.75Å; R32-F275 HydrophobicContact CG-CE1 3.61Å; R32-F275 HydrophobicContact CG-CE2 4.45Å; R32-F275 HydrophobicContact CG-CG 4.23Å; R32-F275 HydrophobicContact CG-CZ 3.97Å
33S91.8Very high78.8Confident76 Ų7679.8 Ų79.853%0.53139%0.385SS..THydrogen-bonded Turntrans-62.3-22.8-163.762.50000115.5P30 L35P30-S33 WeakPolarHBondContact O-CB 3.29Å; P30-S33 PolarHBondContact O-N 3.09Å; P30-S33 PolarHBondContact O-OG 3.41Å; S33-L35 VanDerWaalsContact C-N 3.31Å
34L94.9Very high79.5Confident12 Ų1278.8 Ų78.86%0.06339%0.385CS..THydrogen-bonded Turntrans-85.2-4.8178.4-56.9179.3000113.1P30 R32 C51 I54P30-L34 HydrophobicContact CB-CD1 3.56Å; P30-L34 HydrophobicContact CB-CG 3.66Å; P30-L34 HydrophobicContact CG-CD1 3.87Å; P30-L34 HydrophobicContact CG-CG 4.37Å; R32-L34 PolarHBondContact O-N 3.24Å; L34-C51 PolarHBondContact O-N 3Å; L34-I54 HydrophobicContact CB-CD1 4.34Å; L34-I54 HydrophobicContact CB-CG1 4.46Å
35L95.2Very high80.6Confident10 Ų1076.2 Ų76.25%0.05238%0.383CS..EExtended strand (participates in β ladder)trans-130.7149.2-168.8-58171.1000110.9R32 S33 L48 I49 C51 I54 Y61 F275 F279 V312R32-L35 PolarHBondContact O-N 3.01Å; S33-L35 VanDerWaalsContact C-N 3.31Å; L35-L48 HydrophobicContact CD1-CD1 4.29Å; L35-I49 WeakPolarHBondContact CA-O 3.15Å; L35-C51 VanDerWaalsContact C-SG 3.53Å; L35-I54 HydrophobicContact CD2-CD1 4Å; L35-Y61 HydrophobicContact CD1-CD2 4.42Å; L35-F275 HydrophobicContact CB-CE1 4.21Å; L35-F275 HydrophobicContact CB-CZ 4.13Å; L35-F275 HydrophobicContact CD1-CE1 4.32Å; L35-F279 HydrophobicContact CD1-CE1 3.97Å; L35-F279 HydrophobicContact CD1-CZ 3.47Å; L35-F279 VanDerWaalsContact CD1-CZ 3.47Å; L35-F279 HydrophobicContact CD2-CE1 4.45Å; L35-V312 HydrophobicContact CD2-CB 4.13Å; L35-V312 HydrophobicContact CD2-CG1 4.42Å; L35-V312 HydrophobicContact CD2-CG2 3.56Å
36K93.1Very high82.3Confident107 Ų10776.5 Ų76.547%0.46538%0.38SS..EExtended strand (participates in β ladder)trans-141.8148.2170.165.9-175-175.7-173.50111.3L48 I49K36-L48 WeakPolarHBondContact O-CA 3.47Å; K36-I49 HydrophobicContact CD-CD1 4.26Å; K36-I49 HydrophobicContact CD-CG1 4.16Å; K36-I49 VanDerWaalsContact CE-CG1 3.48Å; K36-I49 HydrophobicContact CG-CD1 4.11Å; K36-I49 HydrophobicContact CG-CG1 3.5Å; K36-I49 VanDerWaalsContact CG-CG1 3.5Å; K36-I49 PolarHBondContact N-O 3.14Å; K36-I49 PolarHBondContact O-N 2.82Å
37I93.3Very high84Confident42 Ų4271.3 Ų71.322%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-70.1137.6175.2-60.4170.9000109.5L12 F15 R46 G47 L48 F275 F278L12-I37 HydrophobicContact CD2-CD1 4.07Å; L12-I37 HydrophobicContact CD2-CG2 3.94Å; F15-I37 HydrophobicContact CD1-CD1 4.06Å; F15-I37 HydrophobicContact CE1-CD1 4.05Å; I37-R46 HydrophobicContact CG2-CG 3.67Å; I37-G47 CarbonylContact C-O 3.53Å; I37-G47 WeakPolarHBondContact CA-O 3.11Å; I37-L48 HydrophobicContact CG1-CD2 3.74Å; I37-F275 HydrophobicContact CD1-CD2 4.12Å; I37-F275 HydrophobicContact CD1-CE2 4.16Å; I37-F275 HydrophobicContact CG1-CD2 4.3Å; I37-F275 HydrophobicContact CG1-CE2 3.95Å; I37-F278 HydrophobicContact CD1-CD1 4.05Å; I37-F278 HydrophobicContact CD1-CE1 3.82Å; I37-F278 HydrophobicContact CD1-CZ 4.22Å; I37-F278 HydrophobicContact CG1-CD1 4.07Å; I37-F278 HydrophobicContact CG1-CE1 4.32Å; I37-F278 HydrophobicContact CG2-CD1 4Å; I37-F278 HydrophobicContact CG2-CE1 4.11Å
38S91.4Very high85.7Confident21 Ų2165.1 Ų65.115%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-138140175.3-178.60000110.6K40 L41 R46 G47S38-K40 PolarHBondContact OG-N 3.32Å; S38-L41 WeakPolarHBondContact O-CD1 3.44Å; S38-R46 WeakPolarHBondContact O-CA 3.45Å; S38-G47 PolarHBondContact N-O 3.01Å; S38-G47 PolarHBondContact O-N 2.99Å
39N85.8Confident86.7Confident63 Ų6364.4 Ų64.434%0.33731%0.313SS..SBendtrans-98.10.2170.8-62.2-22.5000112.4Q45 R46N39-Q45 CarbonylContact C-O 3.56Å; N39-Q45 WeakPolarHBondContact CA-O 3.23Å; N39-R46 WeakPolarHBondContact OD1-CD 3.14Å; N39-R46 WeakPolarHBondContact OD1-CG 3.29Å; N39-R46 PolarHBondContact OD1-NE 3.05Å
40K76.3Confident87.4Confident193 Ų19356.3 Ų56.384%0.83928%0.281SS*.  trans-109.473.1-176-67.9-177.5-178.51770109.7S38S38-K40 PolarHBondContact OG-N 3.32Å
41L82.5Confident87.7Confident38 Ų3858.9 Ų58.920%0.19930%0.299CS..  trans-122.1154.2-172.1-60.6176.8000111.7S38 F43 G47 I49 Q311S38-L41 WeakPolarHBondContact O-CD1 3.44Å; L41-F43 WeakPolarHBondContact CB-O 3.39Å; L41-G47 VanDerWaalsContact CD1-CA 3.4Å; L41-I49 HydrophobicContact CD2-CG2 3.42Å; L41-I49 VanDerWaalsContact CD2-CG2 3.42Å; L41-Q311 HydrophobicContact CD2-CB 4.2Å; L41-Q311 HydrophobicContact CD2-CG 4.21Å
42K73.9Confident88Confident180 Ų18060.9 Ų60.978%0.78331%0.311SS*.SBendtrans-73.4-34172.5-177.5-179174-170.90111.7
43F69.7Low88.2Confident83 Ų8364.3 Ų64.336%0.36433%0.329SS..SBendtrans-126.9134.3-177.7-56.7-73.2000108.8L41 N280 Q311 L313L41-F43 WeakPolarHBondContact CB-O 3.39Å; F43-N280 PolarHBondContact O-ND2 2.93Å; F43-Q311 PolarHBondContact O-NE2 3.34Å; F43-Q311 PolarHBondContact O-OE1 2.66Å; F43-Q311 VanDerWaalsContact O-OE1 3.09Å; F43-L313 HydrophobicContact CD2-CD1 4.37Å
44G67.2Low88.4Confident46 Ų4660.7 Ų60.747%0.47430%0.303SS..SBendtrans70.4152.6-172.700000112.9
45Q78.5Confident88.4Confident169 Ų16966.1 Ų66.179%0.7933%0.327SS*.SBendtrans-69.9-37.7175.2-64.1179.40.300111.2N39N39-Q45 CarbonylContact C-O 3.56Å; N39-Q45 WeakPolarHBondContact CA-O 3.23Å
46R89.5Confident88.4Confident58 Ų5868.2 Ų68.222%0.21934%0.342CS..SBendtrans-137.4150.7178.8-173.9-178.9-621621.3109.6I37 S38 N39 V130 F278 N280I37-R46 HydrophobicContact CG2-CG 3.67Å; S38-R46 WeakPolarHBondContact O-CA 3.45Å; N39-R46 WeakPolarHBondContact OD1-CD 3.14Å; N39-R46 WeakPolarHBondContact OD1-CG 3.29Å; N39-R46 PolarHBondContact OD1-NE 3.05Å; R46-V130 PolarHBondContact NH1-O 3.45Å; R46-F278 HydrophobicContact CG-CD1 3.9Å; R46-F278 HydrophobicContact CG-CE1 4.14Å; R46-N280 PolarHBondContact O-ND2 3.33Å; R46-N280 PolarHBondContact O-OD1 2.89Å
47G93.7Very high88.3Confident0 Ų069.9 Ų69.90%035%0.349CS..EExtended strand (participates in β ladder)trans-177.6-164.1174.500000113.5I37 S38 L41 F278I37-G47 CarbonylContact C-O 3.53Å; I37-G47 WeakPolarHBondContact CA-O 3.11Å; S38-G47 PolarHBondContact N-O 3.01Å; S38-G47 PolarHBondContact O-N 2.99Å; L41-G47 VanDerWaalsContact CD1-CA 3.4Å; G47-F278 WeakPolarHBondContact CA-O 3.04Å
48L95.3Very high88.3Confident0 Ų070.4 Ų70.40%035%0.351CS..EExtended strand (participates in β ladder)trans-106.5135.7-174.2-61.7177.4000112L35 K36 I37 F275 F278 F279 Q311 V312L35-L48 HydrophobicContact CD1-CD1 4.29Å; K36-L48 WeakPolarHBondContact O-CA 3.47Å; I37-L48 HydrophobicContact CG1-CD2 3.74Å; L48-F275 HydrophobicContact CD1-CD1 4.27Å; L48-F275 HydrophobicContact CD1-CE1 3.97Å; L48-F275 HydrophobicContact CD1-CZ 4.47Å; L48-F275 HydrophobicContact CD2-CE1 4.08Å; L48-F275 HydrophobicContact CD2-CE2 4.01Å; L48-F275 HydrophobicContact CD2-CZ 3.75Å; L48-F278 HydrophobicContact CD1-CB 4.2Å; L48-F278 HydrophobicContact CD2-CB 3.95Å; L48-F278 HydrophobicContact CG-CB 3.76Å; L48-F279 HydrophobicContact CB-CD1 4.17Å; L48-F279 HydrophobicContact CB-CE1 4.13Å; L48-F279 HydrophobicContact CD1-CD1 3.73Å; L48-F279 HydrophobicContact CD1-CD2 3.9Å; L48-F279 HydrophobicContact CD1-CE1 3.55Å; L48-F279 HydrophobicContact CD1-CE2 3.71Å; L48-F279 HydrophobicContact CD1-CG 3.9Å; L48-F279 HydrophobicContact CD1-CZ 3.54Å; L48-F279 HydrophobicContact CG-CD1 4.42Å; L48-F279 HydrophobicContact CG-CE1 4.44Å; L48-Q311 WeakPolarHBondContact O-CA 3.2Å; L48-Q311 WeakPolarHBondContact O-CG 3.4Å; L48-V312 PolarHBondContact O-N 3.47Å
49I95.7Very high88.5Confident17 Ų1770.3 Ų70.39%0.08735%0.35CS..EExtended strand (participates in β ladder)trans-119.9151.9172.466.1174.6000111.3L35 K36 L41 E310 Q311L35-I49 WeakPolarHBondContact CA-O 3.15Å; K36-I49 HydrophobicContact CD-CD1 4.26Å; K36-I49 HydrophobicContact CD-CG1 4.16Å; K36-I49 VanDerWaalsContact CE-CG1 3.48Å; K36-I49 HydrophobicContact CG-CD1 4.11Å; K36-I49 HydrophobicContact CG-CG1 3.5Å; K36-I49 VanDerWaalsContact CG-CG1 3.5Å; K36-I49 PolarHBondContact N-O 3.14Å; K36-I49 PolarHBondContact O-N 2.82Å; L41-I49 HydrophobicContact CD2-CG2 3.42Å; L41-I49 VanDerWaalsContact CD2-CG2 3.42Å; I49-E310 CarbonylContact C-O 3Å; I49-E310 VanDerWaalsContact CA-O 3.25Å; I49-E310 WeakPolarHBondContact CA-O 3.28Å; I49-E310 WeakPolarHBondContact CB-O 3.38Å; I49-Q311 HydrophobicContact CG2-CB 4.35Å
50A96.8Very high88.9Confident1 Ų167.3 Ų67.31%0.00833%0.334CS..EExtended strand (participates in β ladder)trans-72.9129.7-179.800000111.2C52 I54 V306 G309 E310 V312A50-C52 WeakPolarHBondContact CB-O 3.45Å; A50-I54 HydrophobicContact CB-CD1 3.74Å; A50-I54 HydrophobicContact CB-CG1 4.21Å; A50-V306 HydrophobicContact CB-CG1 4.02Å; A50-G309 PolarHBondContact O-N 3.41Å; A50-E310 PolarHBondContact N-O 3.33Å; A50-V312 HydrophobicContact CB-CG2 3.99Å
51C95.6Very high89.9Confident61 Ų6158.3 Ų58.341%0.41230%0.295SS..SBendtrans-75.8-27.3175.5-69.60000112.4L34 L35L34-C51 PolarHBondContact O-N 3Å; L35-C51 VanDerWaalsContact C-SG 3.53Å
52C95.6Very high90.4Very high52 Ų5256.7 Ų56.735%0.35129%0.286SS..SBendtrans-144.7-179.7176.663.30000109.4A50 I54A50-C52 WeakPolarHBondContact CB-O 3.45Å; C52-I54 PolarHBondContact O-N 3.39Å
53E96.4Very high91.3Very high121 Ų12148.2 Ų48.257%0.56525%0.249SC*.  trans-61.3129.4170.4-172.4-176.1-178.400110.1V306E53-V306 WeakPolarHBondContact CA-O 3.36Å
54I95.9Very high92.4Very high0 Ų044.9 Ų44.90%024%0.236CC..BIsolated β-bridgetrans-109.6120.9171.8-58.8169.8000106.4L34 L35 A50 C52 Q58 C60 L302 S305 V306 V312L34-I54 HydrophobicContact CB-CD1 4.34Å; L34-I54 HydrophobicContact CB-CG1 4.46Å; L35-I54 HydrophobicContact CD2-CD1 4Å; A50-I54 HydrophobicContact CB-CD1 3.74Å; A50-I54 HydrophobicContact CB-CG1 4.21Å; C52-I54 PolarHBondContact O-N 3.39Å; I54-Q58 HydrophobicContact CG2-CB 4.32Å; I54-C60 HydrophobicContact CD1-CB 4.06Å; I54-C60 HydrophobicContact CG2-CB 3.88Å; I54-L302 HydrophobicContact CG2-CD1 4.16Å; I54-S305 CarbonylContact O-C 3.51Å; I54-S305 WeakPolarHBondContact O-CA 3.48Å; I54-V306 HydrophobicContact CB-CB 4.4Å; I54-V306 PolarHBondContact N-O 3.37Å; I54-V306 PolarHBondContact O-N 3.35Å; I54-V312 HydrophobicContact CD1-CG2 4.11Å
55K95Very high93.5Very high127 Ų12743.7 Ų43.755%0.55222%0.219SC*.  trans-79.9152.1-178-63.7179.8179.9178.90111K57 Q58K55-K57 PolarHBondContact O-N 3.17Å; K55-Q58 HydrophobicContact CB-CB 4.31Å; K55-Q58 WeakPolarHBondContact O-CB 3.36Å; K55-Q58 PolarHBondContact O-N 3.25Å
56S94.4Very high94Very high53 Ų5336.9 Ų36.937%0.37119%0.188SC..THydrogen-bonded Turntrans-49.4135.6166.5172.10000111Q58 E303 S305S56-Q58 PolarHBondContact O-N 3.35Å; S56-E303 WeakPolarHBondContact CB-O 3.32Å; S56-E303 PolarHBondContact OG-O 3.09Å; S56-S305 PolarHBondContact N-OG 3.44Å
57K92.9Very high93.8Very high142 Ų14234.7 Ų34.762%0.61718%0.181SC*.THydrogen-bonded Turntrans62.714-177.1-58.2176.2178.3-179.50115.1K55 Y301 L302 E303K55-K57 PolarHBondContact O-N 3.17Å; K57-Y301 WeakPolarHBondContact O-CD1 3.19Å; K57-L302 WeakPolarHBondContact CA-O 3.48Å; K57-L302 PolarHBondContact N-O 3Å; K57-E303 WeakPolarHBondContact CE-OE2 3.36Å; K57-E303 WeakPolarHBondContact CG-OE2 3.49Å
58Q93.3Very high93.5Very high54 Ų5435 Ų3525%0.25218%0.182SC..  trans-82.6138.1170.1-171-178.2-19.500109.9I54 K55 S56 C60I54-Q58 HydrophobicContact CG2-CB 4.32Å; K55-Q58 HydrophobicContact CB-CB 4.31Å; K55-Q58 WeakPolarHBondContact O-CB 3.36Å; K55-Q58 PolarHBondContact O-N 3.25Å; S56-Q58 PolarHBondContact O-N 3.35Å; Q58-C60 PolarHBondContact O-N 3.49Å
59C94.8Very high93.1Very high18 Ų1835.4 Ų35.412%0.12218%0.184CC..EExtended strand (participates in β ladder)trans-62.3119.3166.4-176.20000108.5P30 Y61 L300 Y301P30-C59 VanDerWaalsContact CD-SG 3.59Å; P30-C59 WeakPolarHBondContact CG-O 3.45Å; C59-Y61 PolarHBondContact SG-O 3.44Å; C59-L300 CarbonylContact C-O 3.52Å; C59-L300 WeakPolarHBondContact CA-O 3.03Å; C59-Y301 HydrophobicContact CB-CD1 4.06Å; C59-Y301 HydrophobicContact CB-CE1 3.58Å; C59-Y301 HydrophobicContact CB-CE2 4.42Å
60C95Very high92.9Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-99.6-25.5-17867.60000113I54 Q58 L300 L302I54-C60 HydrophobicContact CD1-CB 4.06Å; I54-C60 HydrophobicContact CG2-CB 3.88Å; Q58-C60 PolarHBondContact O-N 3.49Å; C60-L300 PolarHBondContact N-O 2.99Å; C60-L300 PolarHBondContact SG-O 3.18Å; C60-L300 VanDerWaalsContact SG-O 3.39Å; C60-L302 HydrophobicContact CB-CD1 4.09Å; C60-L302 HydrophobicContact CB-CG 4.25Å
61Y95.4Very high92.7Very high5 Ų535.2 Ų35.22%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-143.5139.7178.4170-103.3000109.7G31 R32 L35 C59 V63 I273 F275 F276 E299 L300G31-Y61 WeakPolarHBondContact O-CA 3.42Å; G31-Y61 WeakPolarHBondContact O-CD2 3.4Å; R32-Y61 HydrophobicContact CG-CD2 4.14Å; R32-Y61 HydrophobicContact CG-CE2 3.78Å; L35-Y61 HydrophobicContact CD1-CD2 4.42Å; C59-Y61 PolarHBondContact SG-O 3.44Å; Y61-V63 HydrophobicContact CE1-CB 3.82Å; Y61-V63 HydrophobicContact CE1-CG1 3.87Å; Y61-V63 WeakPolarHBondContact OH-CB 3.34Å; Y61-I273 WeakPolarHBondContact OH-CG2 3.34Å; Y61-F275 HydrophobicContact CD2-CD1 4.04Å; Y61-F275 HydrophobicContact CD2-CE1 4.11Å; Y61-F275 AromaticContact CE2-CD1 3.57Å; Y61-F275 HydrophobicContact CE2-CD1 3.57Å; Y61-F275 HydrophobicContact CE2-CE1 4.07Å; Y61-F276 AromaticContact CD1-CD2 3.83Å; Y61-F276 HydrophobicContact CD1-CD2 3.83Å; Y61-F276 HydrophobicContact CE1-CB 3.98Å; Y61-F276 AromaticContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CG 4.31Å; Y61-E299 WeakPolarHBondContact O-CA 3.32Å; Y61-L300 HydrophobicContact CD1-CB 4.42Å; Y61-L300 PolarHBondContact O-N 3.2Å
62S94.5Very high92.7Very high3 Ų332.3 Ų32.32%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-135.2134.2171.5-170.60000109.5T28 G31 S297 L298 E299T28-S62 WeakPolarHBondContact CB-OG 3.49Å; G31-S62 CarbonylContact C-O 3.52Å; G31-S62 VanDerWaalsContact CA-O 3.24Å; G31-S62 WeakPolarHBondContact CA-O 3.29Å; G31-S62 PolarHBondContact O-N 3.01Å; S62-S297 WeakPolarHBondContact OG-CB 3.21Å; S62-S297 PolarHBondContact OG-OG 2.92Å; S62-L298 CarbonylContact C-O 3.59Å; S62-L298 VanDerWaalsContact CA-O 3.25Å; S62-L298 WeakPolarHBondContact CA-O 3.38Å; S62-E299 WeakPolarHBondContact OG-CG 3.26Å
63V93.1Very high92.6Very high2 Ų229.9 Ų29.91%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-119.7126.817659.80000110Y61 L70 V71 I273 S297 L298Y61-V63 HydrophobicContact CE1-CB 3.82Å; Y61-V63 HydrophobicContact CE1-CG1 3.87Å; Y61-V63 WeakPolarHBondContact OH-CB 3.34Å; V63-L70 HydrophobicContact CG2-CB 3.69Å; V63-L70 HydrophobicContact CG2-CD1 4.08Å; V63-V71 HydrophobicContact CG1-CG2 4.09Å; V63-V71 HydrophobicContact CG2-CG2 3.91Å; V63-I273 HydrophobicContact CG1-CG2 4.23Å; V63-I273 HydrophobicContact CG2-CG2 4.35Å; V63-S297 CarbonylContact O-C 3.53Å; V63-S297 WeakPolarHBondContact O-CA 3.39Å; V63-S297 VanDerWaalsContact O-CB 3.24Å; V63-S297 WeakPolarHBondContact O-CB 3.41Å; V63-L298 HydrophobicContact CG1-CB 3.7Å; V63-L298 HydrophobicContact CG1-CD1 4.37Å; V63-L298 PolarHBondContact N-O 2.93Å; V63-L298 PolarHBondContact O-N 3.17Å
64P91.8Very high92.2Very high14 Ų1424.2 Ų24.29%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-65.1141176.723.1-29.5000111T28 D66 D67 L70T28-P64 HydrophobicContact CG2-CB 3.97Å; P64-D66 WeakPolarHBondContact CB-OD1 3.49Å; P64-D67 HydrophobicContact CG-CB 4.45Å; P64-L70 HydrophobicContact CG-CD1 3.93Å
65L91.2Very high91.8Very high21 Ų2124.6 Ų24.611%0.1112%0.123CC..SBendtrans-87.5-14.2173.6-70.7179.8000112.5D67 V71 R76 F227 L237 L291 L296 L298L65-D67 PolarHBondContact O-N 3.21Å; L65-V71 HydrophobicContact CD2-CG1 4.49Å; L65-V71 HydrophobicContact CD2-CG2 4.11Å; L65-R76 PolarHBondContact O-NH2 3.38Å; L65-F227 HydrophobicContact CD1-CD2 4.29Å; L65-F227 HydrophobicContact CD1-CE2 4.47Å; L65-F227 HydrophobicContact CD1-CG 4.44Å; L65-F227 HydrophobicContact CD2-CE1 4.1Å; L65-F227 HydrophobicContact CD2-CE2 4.13Å; L65-F227 HydrophobicContact CD2-CZ 3.82Å; L65-L237 WeakPolarHBondContact O-CD1 3.38Å; L65-L291 HydrophobicContact CD1-CD1 3.42Å; L65-L291 VanDerWaalsContact CD1-CD1 3.42Å; L65-L296 PolarHBondContact N-O 3.37Å; L65-L298 HydrophobicContact CD2-CD1 3.85Å; L65-L298 HydrophobicContact CD2-CG 3.93Å; L65-L298 HydrophobicContact CG-CG 4.45Å
66D87.3Confident91.6Very high26 Ų2618.6 Ų18.614%0.13910%0.097CC..SBendtrans-84.58.8177.764.5-37.3000114.2L25 H26 P64 L237L25-D66 WeakPolarHBondContact CB-OD2 3.45Å; H26-D66 IonicContact CD2-OD2 3.3Å; H26-D66 PolarHBondContact CD2-OD2 3.22Å; H26-D66 IonicContact CG-OD2 2.99Å; H26-D66 PolarHBondContact N-OD2 3.09Å; P64-D66 WeakPolarHBondContact CB-OD1 3.49Å; D66-L237 HydrophobicContact CB-CD2 4.17Å; D66-L237 WeakPolarHBondContact O-CD2 3.44Å
67D86Confident91.5Very high12 Ų1216.1 Ų16.16%0.0648%0.079CC..  trans-109.1121.8168.6-164.3-49.1000110.8S22 P64 L65 H69 L70 R76S22-D67 WeakPolarHBondContact CB-OD2 3.48Å; S22-D67 PolarHBondContact OG-OD2 3.06Å; P64-D67 HydrophobicContact CG-CB 4.45Å; L65-D67 PolarHBondContact O-N 3.21Å; D67-H69 VanDerWaalsContact C-N 3.26Å; D67-H69 PolarHBondContact O-N 3.06Å; D67-H69 WeakPolarHBondContact OD1-CA 3.33Å; D67-H69 WeakPolarHBondContact OD1-CB 3.29Å; D67-H69 IonicContact OD1-CG 3.4Å; D67-H69 PolarHBondContact OD1-N 2.79Å; D67-H69 IonicContact OD1-ND1 3.17Å; D67-H69 PolarHBondContact OD1-ND1 3.16Å; D67-L70 HydrophobicContact CB-CB 4.38Å; D67-L70 HydrophobicContact CB-CD1 4.14Å; D67-L70 HydrophobicContact CB-CG 4.06Å; D67-R76 PolarHBondContact O-NH1 3.49Å
68L87.7Confident91.1Very high5 Ų59.3 Ų9.33%0.0265%0.05CC..THydrogen-bonded Turntrans-70.3-20.3-178.8-165.663.7000113.2R76 L80 V234 L237 Y238 L241L68-R76 HydrophobicContact CD1-CB 3.99Å; L68-R76 HydrophobicContact CD1-CG 3.57Å; L68-L80 HydrophobicContact CD2-CD1 4.48Å; L68-L80 HydrophobicContact CD2-CD2 3.76Å; L68-L80 HydrophobicContact CD2-CG 4.27Å; L68-L80 HydrophobicContact CG-CD1 4.36Å; L68-L80 HydrophobicContact CG-CD2 4.47Å; L68-V234 HydrophobicContact CD1-CG1 4.37Å; L68-L237 HydrophobicContact CB-CB 4.2Å; L68-L237 HydrophobicContact CD1-CB 3.99Å; L68-L237 HydrophobicContact CD1-CD1 4.32Å; L68-Y238 HydrophobicContact CD2-CD2 4.16Å; L68-L241 HydrophobicContact CB-CD2 4.49Å; L68-L241 HydrophobicContact CD2-CB 4.35Å; L68-L241 HydrophobicContact CD2-CD2 3.77Å
69H87.5Confident90.8Very high10 Ų106.9 Ų6.95%0.0464%0.038CC..THydrogen-bonded Turntrans-83-32.1-177.2-58.4131000114.4W18 D67 I123 W124 L241 D245W18-H69 HydrophobicContact CH2-CB 4.03Å; W18-H69 HydrophobicContact CZ2-CB 3.72Å; D67-H69 VanDerWaalsContact C-N 3.26Å; D67-H69 PolarHBondContact O-N 3.06Å; D67-H69 WeakPolarHBondContact OD1-CA 3.33Å; D67-H69 WeakPolarHBondContact OD1-CB 3.29Å; D67-H69 IonicContact OD1-CG 3.4Å; D67-H69 PolarHBondContact OD1-N 2.79Å; D67-H69 IonicContact OD1-ND1 3.17Å; D67-H69 PolarHBondContact OD1-ND1 3.16Å; H69-I123 WeakPolarHBondContact CD2-CG2 3.48Å; H69-I123 WeakPolarHBondContact NE2-CG2 3.31Å; H69-W124 HydrophobicContact CB-CZ2 4.49Å; H69-W124 AromaticContact CD2-CH2 3.93Å; H69-W124 AromaticContact CD2-CZ2 3.75Å; H69-W124 PolarHBondContact O-NE1 2.62Å; H69-L241 WeakPolarHBondContact CE1-CD1 3.36Å; H69-L241 WeakPolarHBondContact NE2-CD1 3.25Å; H69-D245 IonicContact CE1-OD2 3.66Å; H69-D245 PolarHBondContact CE1-OD2 3.01Å
70L90.5Very high90.5Very high13 Ų136 Ų67%0.0683%0.032CC..THydrogen-bonded Turntrans-90.7-19.2-164.9-62.3-172.2000114.4W18 L19 S22 V63 P64 D67 I273 P274W18-L70 HydrophobicContact CH2-CD2 4.46Å; W18-L70 HydrophobicContact CZ3-CD2 4.29Å; L19-L70 HydrophobicContact CD2-CD2 3.6Å; S22-L70 VanDerWaalsContact OG-CD1 3.31Å; S22-L70 WeakPolarHBondContact OG-CD1 3.42Å; V63-L70 HydrophobicContact CG2-CB 3.69Å; V63-L70 HydrophobicContact CG2-CD1 4.08Å; P64-L70 HydrophobicContact CG-CD1 3.93Å; D67-L70 HydrophobicContact CB-CB 4.38Å; D67-L70 HydrophobicContact CB-CD1 4.14Å; D67-L70 HydrophobicContact CB-CG 4.06Å; L70-I273 WeakPolarHBondContact O-CA 3.35Å; L70-I273 WeakPolarHBondContact O-CG2 3.44Å; L70-P274 VanDerWaalsContact O-CD 3.27Å; L70-P274 WeakPolarHBondContact O-CD 3.36Å
71V93.4Very high90Very high0 Ų06 Ų60%03%0.032CC..  trans-130.7105.3174.7-176.60000107.6V63 L65 T73 R76 F227 I273 L298V63-V71 HydrophobicContact CG1-CG2 4.09Å; V63-V71 HydrophobicContact CG2-CG2 3.91Å; L65-V71 HydrophobicContact CD2-CG1 4.49Å; L65-V71 HydrophobicContact CD2-CG2 4.11Å; V71-T73 HydrophobicContact CG1-CG2 4.05Å; V71-T73 PolarHBondContact O-N 3.29Å; V71-R76 WeakPolarHBondContact O-CD 3.3Å; V71-R76 PolarHBondContact O-NE 3.3Å; V71-R76 PolarHBondContact O-NH1 2.88Å; V71-F227 HydrophobicContact CG1-CE1 4.39Å; V71-F227 HydrophobicContact CG1-CZ 4.11Å; V71-I273 HydrophobicContact CG1-CD1 4.43Å; V71-I273 HydrophobicContact CG1-CG1 4.17Å; V71-I273 HydrophobicContact CG2-CD1 4.45Å; V71-I273 HydrophobicContact CG2-CG1 4.29Å; V71-L298 HydrophobicContact CG1-CD1 4.47Å; V71-L298 HydrophobicContact CG2-CD1 4.45Å
72L94.8Very high89.3Confident0 Ų06.5 Ų6.50%04%0.035CC..BIsolated β-bridgetrans-92.689.2-179.6-64.2176.4000109.4L103 F106 W124 S271 L272L72-L103 VanDerWaalsContact O-CD2 3.3Å; L72-L103 WeakPolarHBondContact O-CD2 2.88Å; L72-F106 HydrophobicContact CD1-CD1 4.35Å; L72-F106 HydrophobicContact CD1-CE1 3.81Å; L72-F106 HydrophobicContact CD2-CE1 4.03Å; L72-F106 HydrophobicContact CD2-CZ 4.08Å; L72-W124 HydrophobicContact CD2-CZ2 3.57Å; L72-S271 CarbonylContact O-C 3.56Å; L72-S271 VanDerWaalsContact O-CA 3.23Å; L72-S271 WeakPolarHBondContact O-CA 3.38Å; L72-L272 HydrophobicContact CB-CB 4.08Å; L72-L272 WeakPolarHBondContact CB-O 3.43Å; L72-L272 HydrophobicContact CD1-CB 4.25Å; L72-L272 PolarHBondContact N-O 3.22Å; L72-L272 PolarHBondContact O-N 3.26Å
73T93Very high88.7Confident1 Ų16.3 Ų6.31%0.0063%0.034CC..  trans-82157.1170.869.80000110.1V71 L75 R76 C77 F227 E229 T269V71-T73 HydrophobicContact CG1-CG2 4.05Å; V71-T73 PolarHBondContact O-N 3.29Å; T73-L75 PolarHBondContact O-N 2.87Å; T73-R76 PolarHBondContact O-N 3.41Å; T73-R76 WeakPolarHBondContact OG1-CB 3.19Å; T73-R76 WeakPolarHBondContact OG1-CD 3.21Å; T73-R76 VanDerWaalsContact OG1-CG 3.23Å; T73-R76 WeakPolarHBondContact OG1-CG 3.46Å; T73-R76 PolarHBondContact OG1-N 3.04Å; T73-R76 VanDerWaalsContact OG1-N 3.08Å; T73-C77 WeakPolarHBondContact O-CB 3.31Å; T73-C77 PolarHBondContact O-N 3.35Å; T73-C77 PolarHBondContact O-SG 3.41Å; T73-F227 HydrophobicContact CG2-CE2 4.43Å; T73-F227 HydrophobicContact CG2-CZ 3.79Å; T73-E229 WeakPolarHBondContact CG2-OE2 3.38Å; T73-E229 PolarHBondContact OG1-OE2 3.23Å; T73-T269 HydrophobicContact CG2-CG2 4.04Å
74P89.4Confident88.2Confident2 Ų26.2 Ų6.21%0.0133%0.033CC..Hα-helixtrans-51.6-42.6171.8-27.832.1000112.6C77 A78 S99 T102 L103 F261 I270P74-C77 PolarHBondContact O-N 3.24Å; P74-A78 WeakPolarHBondContact O-CB 3.05Å; P74-A78 PolarHBondContact O-N 2.93Å; P74-S99 WeakPolarHBondContact CG-O 3.43Å; P74-T102 HydrophobicContact CB-CG2 4.1Å; P74-T102 WeakPolarHBondContact O-CG2 3.23Å; P74-L103 HydrophobicContact CG-CD2 4.42Å; P74-L103 HydrophobicContact CG-CG 4.26Å; P74-F261 HydrophobicContact CB-CD1 3.86Å; P74-F261 HydrophobicContact CB-CE1 3.77Å; P74-F261 HydrophobicContact CB-CG 4.49Å; P74-F261 HydrophobicContact CB-CZ 4.32Å; P74-I270 WeakPolarHBondContact CD-O 3.33Å; P74-I270 HydrophobicContact CG-CG1 3.96Å
75L87Confident87.6Confident9 Ų97 Ų75%0.0474%0.038CC..Hα-helixtrans-63.1-45.9179.2-176.561.7000112T73 Y79 E229 L231 V234 F261 M262T73-L75 PolarHBondContact O-N 2.87Å; L75-Y79 VanDerWaalsContact O-CB 3.29Å; L75-Y79 WeakPolarHBondContact O-CB 3.06Å; L75-Y79 PolarHBondContact O-N 3.11Å; L75-E229 HydrophobicContact CD2-CB 4.43Å; L75-E229 HydrophobicContact CD2-CG 4.28Å; L75-L231 HydrophobicContact CD1-CD1 4.36Å; L75-V234 HydrophobicContact CD2-CG2 3.82Å; L75-V234 HydrophobicContact CG-CG2 3.92Å; L75-F261 HydrophobicContact CB-CB 4.44Å; L75-F261 HydrophobicContact CB-CD2 4.43Å; L75-F261 HydrophobicContact CD1-CB 4.37Å; L75-F261 HydrophobicContact CD1-CD2 3.98Å; L75-M262 HydrophobicContact CD2-CE 4.48Å
76R91Very high87.2Confident1 Ų18 Ų80%0.0045%0.047CC..Hα-helixtrans-62.1-47175.2-69.6169.2-177.7-144.6-4.4111.5L65 D67 L68 V71 T73 Y79 L80 E229 V234L65-R76 PolarHBondContact O-NH2 3.38Å; D67-R76 PolarHBondContact O-NH1 3.49Å; L68-R76 HydrophobicContact CD1-CB 3.99Å; L68-R76 HydrophobicContact CD1-CG 3.57Å; V71-R76 WeakPolarHBondContact O-CD 3.3Å; V71-R76 PolarHBondContact O-NE 3.3Å; V71-R76 PolarHBondContact O-NH1 2.88Å; T73-R76 PolarHBondContact O-N 3.41Å; T73-R76 WeakPolarHBondContact OG1-CB 3.19Å; T73-R76 WeakPolarHBondContact OG1-CD 3.21Å; T73-R76 VanDerWaalsContact OG1-CG 3.23Å; T73-R76 WeakPolarHBondContact OG1-CG 3.46Å; T73-R76 PolarHBondContact OG1-N 3.04Å; T73-R76 VanDerWaalsContact OG1-N 3.08Å; R76-Y79 WeakPolarHBondContact O-CB 3.07Å; R76-Y79 PolarHBondContact O-N 2.88Å; R76-L80 WeakPolarHBondContact O-CB 3.49Å; R76-L80 WeakPolarHBondContact O-CD1 3.1Å; R76-L80 WeakPolarHBondContact O-CG 3.21Å; R76-L80 PolarHBondContact O-N 3.48Å; R76-E229 WeakPolarHBondContact CG-OE2 3.4Å; R76-E229 IonicContact CZ-OE1 2.62Å; R76-E229 VanDerWaalsContact NE-CD 3.31Å; R76-E229 IonicContact NE-OE1 2.66Å; R76-E229 PolarHBondContact NE-OE1 2.88Å; R76-E229 IonicContact NE-OE2 3.53Å; R76-E229 PolarHBondContact NE-OE2 3.07Å; R76-E229 VanDerWaalsContact NE-OE2 3.16Å; R76-E229 IonicContact NH2-OE1 2.72Å; R76-E229 PolarHBondContact NH2-OE1 3.39Å; R76-V234 HydrophobicContact CG-CG1 4.19Å; R76-V234 HydrophobicContact CG-CG2 3.86Å
77C91.1Very high86.7Confident0 Ų07.4 Ų7.40%04%0.043CC..Hα-helixtrans-61.4-46.4-179.8-76.20000112.3T73 P74 Y79 L80 L81 T102 L103 F106T73-C77 WeakPolarHBondContact O-CB 3.31Å; T73-C77 PolarHBondContact O-N 3.35Å; T73-C77 PolarHBondContact O-SG 3.41Å; P74-C77 PolarHBondContact O-N 3.24Å; C77-Y79 VanDerWaalsContact C-N 3.33Å; C77-Y79 PolarHBondContact O-N 2.8Å; C77-L80 PolarHBondContact O-N 3.3Å; C77-L81 WeakPolarHBondContact O-CB 3.14Å; C77-L81 VanDerWaalsContact O-CG 3.29Å; C77-L81 WeakPolarHBondContact O-CG 3.14Å; C77-L81 PolarHBondContact O-N 2.87Å; C77-T102 HydrophobicContact CB-CG2 4.14Å; C77-L103 HydrophobicContact CB-CD2 4.26Å; C77-F106 HydrophobicContact CB-CB 3.81Å; C77-F106 HydrophobicContact CB-CD2 3.89Å; C77-F106 HydrophobicContact CB-CG 3.91Å; C77-F106 VanDerWaalsContact SG-CG 3.51Å
78A85.9Confident85.8Confident0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-62-41.1175.200000112.2P74 N82 Y93 T102 V257 F261P74-A78 WeakPolarHBondContact O-CB 3.05Å; P74-A78 PolarHBondContact O-N 2.93Å; A78-N82 PolarHBondContact O-N 2.85Å; A78-N82 VanDerWaalsContact O-N 3.16Å; A78-N82 PolarHBondContact O-ND2 3.32Å; A78-N82 VanDerWaalsContact O-ND2 3.09Å; A78-Y93 HydrophobicContact CB-CD1 4.25Å; A78-Y93 HydrophobicContact CB-CE1 3.61Å; A78-T102 HydrophobicContact CB-CG2 3.9Å; A78-V257 HydrophobicContact CB-CG1 4.18Å; A78-F261 HydrophobicContact CB-CD2 4.44Å; A78-F261 HydrophobicContact CB-CE2 3.51Å; A78-F261 HydrophobicContact CB-CZ 4.13Å
79Y85.6Confident84.5Confident2 Ų220.6 Ų20.61%0.00810%0.104CC..Hα-helixtrans-62.4-49.1176.4-167.2-81.2000111.3L75 R76 C77 L81 N82 H83 L231 V234 Q235 Y238 F255 V257L75-Y79 VanDerWaalsContact O-CB 3.29Å; L75-Y79 WeakPolarHBondContact O-CB 3.06Å; L75-Y79 PolarHBondContact O-N 3.11Å; R76-Y79 WeakPolarHBondContact O-CB 3.07Å; R76-Y79 PolarHBondContact O-N 2.88Å; C77-Y79 VanDerWaalsContact C-N 3.33Å; C77-Y79 PolarHBondContact O-N 2.8Å; Y79-L81 PolarHBondContact O-N 2.91Å; Y79-N82 PolarHBondContact O-N 3.4Å; Y79-H83 AromaticContact CD1-CE1 3.84Å; Y79-H83 AromaticContact CD1-ND1 3.7Å; Y79-H83 AromaticContact CE1-CE1 3.29Å; Y79-H83 WeakPolarHBondContact CE1-CE1 3.5Å; Y79-H83 AromaticContact CE1-CG 4Å; Y79-H83 AromaticContact CE1-ND1 3.51Å; Y79-H83 AromaticContact CE1-NE2 3.6Å; Y79-H83 AromaticContact CE2-CE1 3.7Å; Y79-H83 AromaticContact CZ-CE1 3.22Å; Y79-H83 AromaticContact CZ-ND1 3.93Å; Y79-H83 AromaticContact CZ-NE2 3.48Å; Y79-H83 PolarHBondContact O-N 3.29Å; Y79-H83 PolarHBondContact O-ND1 3.43Å; Y79-H83 PolarHBondContact OH-CE1 3.33Å; Y79-H83 PolarHBondContact OH-NE2 2.95Å; Y79-L231 HydrophobicContact CD2-CD1 3.74Å; Y79-L231 HydrophobicContact CE2-CD1 4.02Å; Y79-V234 HydrophobicContact CD1-CG1 4.08Å; Y79-V234 HydrophobicContact CD2-CG1 4.08Å; Y79-V234 HydrophobicContact CG-CG1 3.67Å; Y79-Q235 HydrophobicContact CE2-CG 3.56Å; Y79-Y238 HydrophobicContact CD1-CD2 4.06Å; Y79-Y238 HydrophobicContact CD1-CG 4.09Å; Y79-Y238 AromaticContact CE1-CD1 3.61Å; Y79-Y238 HydrophobicContact CE1-CD1 3.61Å; Y79-Y238 AromaticContact CE1-CD2 3.74Å; Y79-Y238 HydrophobicContact CE1-CD2 3.74Å; Y79-Y238 HydrophobicContact CE1-CE1 4.05Å; Y79-Y238 HydrophobicContact CE1-CE2 4.21Å; Y79-Y238 AromaticContact CE1-CG 3.4Å; Y79-Y238 HydrophobicContact CE1-CG 3.4Å; Y79-Y238 VanDerWaalsContact CE1-CG 3.4Å; Y79-F255 WeakPolarHBondContact OH-CE1 3.45Å; Y79-V257 HydrophobicContact CD2-CB 4.48Å
80L88.7Confident83Confident0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-61.4-42.5178.6-75.2164.9000112.6L68 R76 C77 H83 C84 F106 L120 W124 Y238 L241L68-L80 HydrophobicContact CD2-CD1 4.48Å; L68-L80 HydrophobicContact CD2-CD2 3.76Å; L68-L80 HydrophobicContact CD2-CG 4.27Å; L68-L80 HydrophobicContact CG-CD1 4.36Å; L68-L80 HydrophobicContact CG-CD2 4.47Å; R76-L80 WeakPolarHBondContact O-CB 3.49Å; R76-L80 WeakPolarHBondContact O-CD1 3.1Å; R76-L80 WeakPolarHBondContact O-CG 3.21Å; R76-L80 PolarHBondContact O-N 3.48Å; C77-L80 PolarHBondContact O-N 3.3Å; L80-H83 PolarHBondContact O-N 2.77Å; L80-C84 PolarHBondContact O-N 3.27Å; L80-C84 VanDerWaalsContact O-N 3.09Å; L80-F106 HydrophobicContact CB-CE2 4Å; L80-F106 HydrophobicContact CD1-CE2 3.9Å; L80-F106 HydrophobicContact CD1-CZ 4.29Å; L80-L120 HydrophobicContact CB-CD1 4.33Å; L80-L120 HydrophobicContact CB-CD2 3.88Å; L80-L120 HydrophobicContact CD2-CD2 3.98Å; L80-L120 HydrophobicContact CG-CD2 4.45Å; L80-W124 HydrophobicContact CD1-CH2 3.4Å; L80-W124 HydrophobicContact CD1-CZ2 3.93Å; L80-W124 HydrophobicContact CD1-CZ3 4.24Å; L80-W124 HydrophobicContact CD2-CH2 4.05Å; L80-W124 HydrophobicContact CG-CH2 4.33Å; L80-Y238 HydrophobicContact CD2-CD2 4.31Å; L80-L241 HydrophobicContact CD2-CD2 4.39Å
81L85.8Confident81.3Confident0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-60.3-47.1176.7-76.1168.8000111.5C77 Y79 H83 C84 F87 Y93 A105 F106 H109 L120C77-L81 WeakPolarHBondContact O-CB 3.14Å; C77-L81 VanDerWaalsContact O-CG 3.29Å; C77-L81 WeakPolarHBondContact O-CG 3.14Å; C77-L81 PolarHBondContact O-N 2.87Å; Y79-L81 PolarHBondContact O-N 2.91Å; L81-H83 PolarHBondContact O-N 2.99Å; L81-C84 WeakPolarHBondContact O-CB 3.29Å; L81-C84 PolarHBondContact O-N 3.38Å; L81-C84 VanDerWaalsContact O-N 3.14Å; L81-F87 HydrophobicContact CB-CE2 4.46Å; L81-F87 HydrophobicContact CD2-CE2 3.64Å; L81-F87 HydrophobicContact CD2-CZ 3.75Å; L81-F87 WeakPolarHBondContact O-CD2 3.42Å; L81-Y93 HydrophobicContact CD1-CD2 4.23Å; L81-Y93 HydrophobicContact CD1-CE2 4Å; L81-A105 HydrophobicContact CD1-CB 4.34Å; L81-F106 HydrophobicContact CD1-CB 4.23Å; L81-F106 HydrophobicContact CD2-CD2 4.42Å; L81-F106 HydrophobicContact CG-CD2 4.13Å; L81-H109 HydrophobicContact CD2-CB 3.89Å; L81-L120 HydrophobicContact CD2-CD1 4.06Å
82N80.2Confident79.5Confident15 Ų1535.8 Ų35.88%0.0817%0.171CC..Hα-helixtrans-61.5-28.9178.8-89.4-59.6000114A78 Y79 Y93 V257A78-N82 PolarHBondContact O-N 2.85Å; A78-N82 VanDerWaalsContact O-N 3.16Å; A78-N82 PolarHBondContact O-ND2 3.32Å; A78-N82 VanDerWaalsContact O-ND2 3.09Å; Y79-N82 PolarHBondContact O-N 3.4Å; N82-Y93 WeakPolarHBondContact ND2-CD1 3.4Å; N82-Y93 PolarHBondContact ND2-O 3.1Å; N82-Y93 VanDerWaalsContact ND2-O 3.1Å; N82-Y93 WeakPolarHBondContact OD1-CA 3.41Å; N82-Y93 VanDerWaalsContact OD1-CB 3.29Å; N82-Y93 WeakPolarHBondContact OD1-CB 3.32Å; N82-Y93 PolarHBondContact OD1-N 3.27Å; N82-Y93 PolarHBondContact OD1-O 2.86Å; N82-V257 HydrophobicContact CB-CG2 3.51Å; N82-V257 VanDerWaalsContact CG-CG2 3.46Å; N82-V257 WeakPolarHBondContact ND2-CG1 3.29Å; N82-V257 WeakPolarHBondContact ND2-CG2 3.41Å
83H81.1Confident77.7Confident0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-92.3-9.8-180-68.868.7000112.8Y79 L80 L81 Y238 F251 C252Y79-H83 AromaticContact CD1-CE1 3.84Å; Y79-H83 AromaticContact CD1-ND1 3.7Å; Y79-H83 AromaticContact CE1-CE1 3.29Å; Y79-H83 WeakPolarHBondContact CE1-CE1 3.5Å; Y79-H83 AromaticContact CE1-CG 4Å; Y79-H83 AromaticContact CE1-ND1 3.51Å; Y79-H83 AromaticContact CE1-NE2 3.6Å; Y79-H83 AromaticContact CE2-CE1 3.7Å; Y79-H83 AromaticContact CZ-CE1 3.22Å; Y79-H83 AromaticContact CZ-ND1 3.93Å; Y79-H83 AromaticContact CZ-NE2 3.48Å; Y79-H83 PolarHBondContact O-N 3.29Å; Y79-H83 PolarHBondContact O-ND1 3.43Å; Y79-H83 PolarHBondContact OH-CE1 3.33Å; Y79-H83 PolarHBondContact OH-NE2 2.95Å; L80-H83 PolarHBondContact O-N 2.77Å; L81-H83 PolarHBondContact O-N 2.99Å; H83-Y238 HydrophobicContact CB-CE2 4Å; H83-Y238 VanDerWaalsContact CB-OH 3.29Å; H83-Y238 WeakPolarHBondContact CB-OH 3.47Å; H83-Y238 AromaticContact CD2-CE1 3.61Å; H83-Y238 AromaticContact CD2-CZ 3.47Å; H83-Y238 VanDerWaalsContact CD2-CZ 3.47Å; H83-Y238 PolarHBondContact CD2-OH 3.42Å; H83-Y238 VanDerWaalsContact CD2-OH 3.24Å; H83-Y238 AromaticContact CG-CZ 3.75Å; H83-F251 HydrophobicContact CB-CB 4.33Å; H83-F251 HydrophobicContact CB-CD1 3.82Å; H83-F251 VanDerWaalsContact O-CD1 3.27Å; H83-F251 WeakPolarHBondContact O-CD1 3.31Å; H83-C252 PolarHBondContact CD2-O 3.42Å; H83-C252 PolarHBondContact O-N 3.49Å
84C82.9Confident75.9Confident0 Ų041.8 Ų41.80%020%0.199CC..SBendtrans-71.2131.1-180178.10000110.6L80 L81 C86 F87 H109 L120L80-C84 PolarHBondContact O-N 3.27Å; L80-C84 VanDerWaalsContact O-N 3.09Å; L81-C84 WeakPolarHBondContact O-CB 3.29Å; L81-C84 PolarHBondContact O-N 3.38Å; L81-C84 VanDerWaalsContact O-N 3.14Å; C84-C86 PolarHBondContact O-N 2.92Å; C84-F87 HydrophobicContact CB-CD2 3.93Å; C84-F87 HydrophobicContact CB-CE2 4.28Å; C84-F87 PolarHBondContact O-N 3.47Å; C84-H109 PolarHBondContact SG-NE2 3.35Å; C84-H109 VanDerWaalsContact SG-NE2 3.39Å; C84-L120 HydrophobicContact CB-CD1 3.67Å; C84-L120 HydrophobicContact CB-CG 3.86Å
85P80.6Confident74.4Confident30 Ų3043 Ų4320%0.19521%0.209CC..G310 helixtrans-56.7-18.4179.6-28.335.2000115.1F87 E88 I119 S250P85-F87 PolarHBondContact O-N 3.39Å; P85-E88 PolarHBondContact O-N 2.92Å; P85-I119 HydrophobicContact CG-CD1 3.82Å; P85-I119 HydrophobicContact CG-CG1 4.33Å; P85-S250 WeakPolarHBondContact CG-O 3.47Å
86C81Confident73.5Confident42 Ų4248.7 Ų48.728%0.28424%0.24SC..G310 helixtrans-66.3-15.5175.2-58.70000113.2C84 H109 C118C84-C86 PolarHBondContact O-N 2.92Å; C86-H109 VanDerWaalsContact CB-CE1 3.5Å; C86-H109 WeakPolarHBondContact CB-CE1 3.46Å; C86-C118 VanDerWaalsContact SG-CB 3.54Å
87F77Confident72.9Confident13 Ų1349.1 Ų49.16%0.05724%0.242CC..G310 helixtrans-1129.4-178.4-58.3-89.6000113.8L81 C84 P85 H89 S90 H109 I188 F189L81-F87 HydrophobicContact CB-CE2 4.46Å; L81-F87 HydrophobicContact CD2-CE2 3.64Å; L81-F87 HydrophobicContact CD2-CZ 3.75Å; L81-F87 WeakPolarHBondContact O-CD2 3.42Å; C84-F87 HydrophobicContact CB-CD2 3.93Å; C84-F87 HydrophobicContact CB-CE2 4.28Å; C84-F87 PolarHBondContact O-N 3.47Å; P85-F87 PolarHBondContact O-N 3.39Å; F87-H89 PolarHBondContact O-N 3.07Å; F87-S90 VanDerWaalsContact CA-OG 3.29Å; F87-S90 WeakPolarHBondContact CA-OG 3.23Å; F87-S90 WeakPolarHBondContact CD1-OG 3.47Å; F87-H109 AromaticContact CE2-CD2 3.99Å; F87-H109 AromaticContact CE2-CE1 3.55Å; F87-H109 AromaticContact CE2-CG 3.92Å; F87-H109 AromaticContact CE2-ND1 3.65Å; F87-H109 AromaticContact CE2-NE2 3.76Å; F87-H109 HydrophobicContact CZ-CB 4.49Å; F87-H109 AromaticContact CZ-CE1 3.97Å; F87-H109 AromaticContact CZ-CG 3.92Å; F87-H109 AromaticContact CZ-ND1 3.61Å; F87-I188 HydrophobicContact CD1-CG2 4.39Å; F87-I188 HydrophobicContact CE1-CG2 3.86Å; F87-F189 HydrophobicContact CE1-CD1 4.46Å; F87-F189 HydrophobicContact CE1-CE1 4.03Å; F87-F189 HydrophobicContact CE1-CZ 4.48Å; F87-F189 HydrophobicContact CZ-CD1 4.5Å; F87-F189 AromaticContact CZ-CE1 3.72Å; F87-F189 HydrophobicContact CZ-CE1 3.72Å; F87-F189 HydrophobicContact CZ-CZ 4.2Å
88E67.5Low72.5Confident120 Ų12053 Ų5356%0.56126%0.262SS*.SBendtrans-64.1-22.8-179.1-167.5178.1176.200113.2P85P85-E88 PolarHBondContact O-N 2.92Å
89H60.7Low72.5Confident174 Ų17455.5 Ų55.581%0.80628%0.28SS*.SBendtrans-123.6-10.7-177.4-59.6-33.3000114.6F87F87-H89 PolarHBondContact O-N 3.07Å
90S56.2Low72.7Confident41 Ų4157.4 Ų57.429%0.28729%0.29SS..SBendtrans-78.3151.8166.649.60000108.3F87 R92F87-S90 VanDerWaalsContact CA-OG 3.29Å; F87-S90 WeakPolarHBondContact CA-OG 3.23Å; F87-S90 WeakPolarHBondContact CD1-OG 3.47Å; S90-R92 PolarHBondContact O-N 3.48Å
91K55.2Low72.8Confident199 Ų19957.7 Ų57.787%0.86529%0.292SS*.SBendtrans-44.5118.1169.5-65.6175.7-178.7176.70106.1
92R54.6Low73.1Confident103 Ų10357.7 Ų57.739%0.38929%0.292SS..  trans-35.6145.1179.1-72.5179.5176.1161.30.8109.2S90 Q94 D254 E256S90-R92 PolarHBondContact O-N 3.48Å; R92-Q94 HydrophobicContact CB-CG 4.02Å; R92-Q94 PolarHBondContact O-N 3.16Å; R92-D254 IonicContact CZ-OD2 2.87Å; R92-D254 VanDerWaalsContact CZ-OD2 3.3Å; R92-D254 IonicContact NE-OD2 3.47Å; R92-D254 PolarHBondContact NE-OD2 2.75Å; R92-D254 VanDerWaalsContact NE-OD2 3.17Å; R92-D254 IonicContact NH2-OD1 2.71Å; R92-D254 PolarHBondContact NH2-OD1 3Å; R92-D254 IonicContact NH2-OD2 3.3Å; R92-D254 PolarHBondContact NH2-OD2 2.96Å; R92-E256 IonicContact NH1-OE2 3.88Å; R92-E256 PolarHBondContact NH1-OE2 3.11Å
93Y58.3Low73.8Confident3 Ų357 Ų571%0.01229%0.288CS..SBendtrans-6389173.2177-79.8000107.9A78 L81 N82 L97 T102 I188A78-Y93 HydrophobicContact CB-CD1 4.25Å; A78-Y93 HydrophobicContact CB-CE1 3.61Å; L81-Y93 HydrophobicContact CD1-CD2 4.23Å; L81-Y93 HydrophobicContact CD1-CE2 4Å; N82-Y93 WeakPolarHBondContact ND2-CD1 3.4Å; N82-Y93 PolarHBondContact ND2-O 3.1Å; N82-Y93 VanDerWaalsContact ND2-O 3.1Å; N82-Y93 WeakPolarHBondContact OD1-CA 3.41Å; N82-Y93 VanDerWaalsContact OD1-CB 3.29Å; N82-Y93 WeakPolarHBondContact OD1-CB 3.32Å; N82-Y93 PolarHBondContact OD1-N 3.27Å; N82-Y93 PolarHBondContact OD1-O 2.86Å; Y93-L97 HydrophobicContact CE2-CD1 3.82Å; Y93-L97 HydrophobicContact CE2-CG 4.46Å; Y93-L97 WeakPolarHBondContact OH-CD1 3.45Å; Y93-T102 WeakPolarHBondContact OH-CG2 3.46Å; Y93-T102 PolarHBondContact OH-OG1 3.05Å; Y93-T102 VanDerWaalsContact OH-OG1 3.11Å; Y93-I188 HydrophobicContact CD2-CD1 3.89Å; Y93-I188 HydrophobicContact CD2-CG2 4.15Å; Y93-I188 HydrophobicContact CE2-CD1 3.75Å
94Q55.1Low74.4Confident124 Ų12457 Ų5758%0.57929%0.288SS*.  trans-115.413.1175.1-70.2-177.1-15.700109R92 N96R92-Q94 HydrophobicContact CB-CG 4.02Å; R92-Q94 PolarHBondContact O-N 3.16Å; Q94-N96 PolarHBondContact O-N 3.34Å
95A56.9Low74.9Confident26 Ų2657 Ų5722%0.21529%0.288CS..  trans-68.2124.5178.500000108.7L97 I188A95-L97 HydrophobicContact CB-CD2 4.13Å; A95-L97 HydrophobicContact CB-CG 3.82Å; A95-L97 PolarHBondContact O-N 3.43Å; A95-I188 HydrophobicContact CB-CD1 3.43Å; A95-I188 VanDerWaalsContact CB-CD1 3.43Å; A95-I188 HydrophobicContact CB-CG1 3.85Å
96N67.7Low75.5Confident129 Ų12955.7 Ų55.769%0.6928%0.279SS*.  trans-71.565.2169.2-66.2-11.9000108.9Q94 L260Q94-N96 PolarHBondContact O-N 3.34Å; N96-L260 HydrophobicContact CB-CD1 4.3Å; N96-L260 HydrophobicContact CB-CD2 4.27Å; N96-L260 WeakPolarHBondContact OD1-CD1 3.44Å
97L79Confident76.3Confident10 Ų1053.8 Ų53.85%0.05227%0.266CS..  trans-79.3143173.7-65-167.5000109.4Y93 A95 D101 A105 C184 I185 I188Y93-L97 HydrophobicContact CE2-CD1 3.82Å; Y93-L97 HydrophobicContact CE2-CG 4.46Å; Y93-L97 WeakPolarHBondContact OH-CD1 3.45Å; A95-L97 HydrophobicContact CB-CD2 4.13Å; A95-L97 HydrophobicContact CB-CG 3.82Å; A95-L97 PolarHBondContact O-N 3.43Å; L97-D101 HydrophobicContact CB-CB 3.91Å; L97-D101 HydrophobicContact CD1-CB 4.15Å; L97-D101 HydrophobicContact CD2-CB 4.17Å; L97-D101 HydrophobicContact CG-CB 4.3Å; L97-A105 HydrophobicContact CD1-CB 4.03Å; L97-C184 HydrophobicContact CD2-CB 3.72Å; L97-I185 HydrophobicContact CD1-CG1 3.8Å; L97-I185 HydrophobicContact CD2-CG1 4.13Å; L97-I188 HydrophobicContact CD1-CD1 3.68Å; L97-I188 HydrophobicContact CD2-CD1 4.42Å; L97-I188 HydrophobicContact CG-CD1 4.18Å
98N82.9Confident77.1Confident81 Ų8153.6 Ų53.643%0.43327%0.265SS..  trans-67.7172.916766.352.8000110.3L100 D101 T102N98-L100 VanDerWaalsContact C-N 3.32Å; N98-L100 PolarHBondContact O-N 3.04Å; N98-L100 PolarHBondContact OD1-N 3.08Å; N98-D101 VanDerWaalsContact ND2-CG 3.32Å; N98-D101 PolarHBondContact ND2-OD2 3.09Å; N98-D101 PolarHBondContact O-N 3.46Å; N98-D101 WeakPolarHBondContact OD1-CB 3.21Å; N98-D101 PolarHBondContact OD1-N 2.98Å; N98-T102 PolarHBondContact O-N 3.03Å; N98-T102 VanDerWaalsContact O-N 3.11Å; N98-T102 PolarHBondContact O-OG1 3.32Å
99S86.3Confident78.3Confident53 Ų5348.2 Ų48.237%0.37124%0.24SC..Hα-helixtrans-56-43.7-178.2-62.90000113.1P74 L103P74-S99 WeakPolarHBondContact CG-O 3.43Å; S99-L103 PolarHBondContact O-N 2.9Å
100L90.2Very high79.8Confident43 Ų4340 Ų4023%0.22520%0.202CC..Hα-helixtrans-70.1-47.9-176.7-165.277.8000110.9N98 T102 L103 I104 V218 I270N98-L100 VanDerWaalsContact C-N 3.32Å; N98-L100 PolarHBondContact O-N 3.04Å; N98-L100 PolarHBondContact OD1-N 3.08Å; L100-T102 PolarHBondContact O-N 3.09Å; L100-L103 WeakPolarHBondContact O-CB 3.4Å; L100-L103 PolarHBondContact O-N 2.77Å; L100-I104 HydrophobicContact CD2-CD1 4.17Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 WeakPolarHBondContact O-CG1 3.19Å; L100-I104 PolarHBondContact O-N 3.16Å; L100-V218 HydrophobicContact CD1-CG1 3.5Å; L100-V218 VanDerWaalsContact CD1-CG1 3.5Å; L100-V218 HydrophobicContact CG-CG1 4.08Å; L100-I270 HydrophobicContact CB-CD1 4.24Å; L100-I270 HydrophobicContact CD1-CD1 4Å
101D91Very high81.5Confident5 Ų541.9 Ų41.93%0.02721%0.205CC..Hα-helixtrans-59.1-32.6179.2-72.3-13.8000112L97 N98 I104 A105 S181 I185L97-D101 HydrophobicContact CB-CB 3.91Å; L97-D101 HydrophobicContact CD1-CB 4.15Å; L97-D101 HydrophobicContact CD2-CB 4.17Å; L97-D101 HydrophobicContact CG-CB 4.3Å; N98-D101 VanDerWaalsContact ND2-CG 3.32Å; N98-D101 PolarHBondContact ND2-OD2 3.09Å; N98-D101 PolarHBondContact O-N 3.46Å; N98-D101 WeakPolarHBondContact OD1-CB 3.21Å; N98-D101 PolarHBondContact OD1-N 2.98Å; D101-I104 PolarHBondContact O-N 3.01Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.47Å; D101-A105 PolarHBondContact O-N 2.78Å; D101-S181 VanDerWaalsContact OD1-CB 3.3Å; D101-S181 WeakPolarHBondContact OD1-CB 3.42Å; D101-S181 PolarHBondContact OD1-OG 3.32Å; D101-I185 HydrophobicContact CB-CD1 3.96Å; D101-I185 HydrophobicContact CB-CG1 4.21Å; D101-I185 VanDerWaalsContact O-CD1 3.29Å; D101-I185 WeakPolarHBondContact O-CD1 3.27Å
102T90.7Very high83.1Confident0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-65.2-44.6175.7-58.80000112.1P74 C77 A78 Y93 N98 L100 I104 F106 F261P74-T102 HydrophobicContact CB-CG2 4.1Å; P74-T102 WeakPolarHBondContact O-CG2 3.23Å; C77-T102 HydrophobicContact CB-CG2 4.14Å; A78-T102 HydrophobicContact CB-CG2 3.9Å; Y93-T102 WeakPolarHBondContact OH-CG2 3.46Å; Y93-T102 PolarHBondContact OH-OG1 3.05Å; Y93-T102 VanDerWaalsContact OH-OG1 3.11Å; N98-T102 PolarHBondContact O-N 3.03Å; N98-T102 VanDerWaalsContact O-N 3.11Å; N98-T102 PolarHBondContact O-OG1 3.32Å; L100-T102 PolarHBondContact O-N 3.09Å; T102-I104 VanDerWaalsContact C-N 3.34Å; T102-F106 PolarHBondContact O-N 3.07Å; T102-F106 VanDerWaalsContact O-N 3.09Å; T102-F261 HydrophobicContact CG2-CE1 4.44Å; T102-F261 HydrophobicContact CG2-CE2 4.49Å; T102-F261 HydrophobicContact CG2-CZ 3.83Å; T102-F261 WeakPolarHBondContact OG1-CE1 3.48Å; T102-F261 WeakPolarHBondContact OG1-CZ 3.42Å
103L94.4Very high84.6Confident0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-65.6-40.4174.3-62.8179.3000110.8L72 P74 C77 S99 L100 F106 M107 V218 C222 I270L72-L103 VanDerWaalsContact O-CD2 3.3Å; L72-L103 WeakPolarHBondContact O-CD2 2.88Å; P74-L103 HydrophobicContact CG-CD2 4.42Å; P74-L103 HydrophobicContact CG-CG 4.26Å; C77-L103 HydrophobicContact CB-CD2 4.26Å; S99-L103 PolarHBondContact O-N 2.9Å; L100-L103 WeakPolarHBondContact O-CB 3.4Å; L100-L103 PolarHBondContact O-N 2.77Å; L103-F106 PolarHBondContact O-N 3.43Å; L103-M107 WeakPolarHBondContact O-CG 3.47Å; L103-M107 PolarHBondContact O-N 2.68Å; L103-V218 HydrophobicContact CB-CG1 3.82Å; L103-V218 HydrophobicContact CB-CG2 3.99Å; L103-V218 HydrophobicContact CD1-CG1 4.17Å; L103-C222 WeakPolarHBondContact CD1-SG 3.48Å; L103-I270 HydrophobicContact CD1-CD1 3.94Å; L103-I270 HydrophobicContact CD1-CG1 4.03Å
104I95.4Very high85.7Confident1 Ų135.5 Ų35.51%0.00520%0.196CC..Hα-helixtrans-62.5-46.8178.3-65.2161.6000110.1L100 D101 T102 F106 M107 Y108 I185 F211 A214 W215 V218L100-I104 HydrophobicContact CD2-CD1 4.17Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 WeakPolarHBondContact O-CG1 3.19Å; L100-I104 PolarHBondContact O-N 3.16Å; D101-I104 PolarHBondContact O-N 3.01Å; T102-I104 VanDerWaalsContact C-N 3.34Å; I104-F106 VanDerWaalsContact C-N 3.3Å; I104-F106 PolarHBondContact O-N 3.11Å; I104-M107 PolarHBondContact O-N 2.76Å; I104-Y108 WeakPolarHBondContact O-CB 3.34Å; I104-Y108 PolarHBondContact O-N 2.71Å; I104-I185 HydrophobicContact CB-CD1 3.87Å; I104-I185 HydrophobicContact CG2-CD1 3.7Å; I104-F211 HydrophobicContact CG2-CD2 4.42Å; I104-F211 HydrophobicContact CG2-CE2 3.73Å; I104-F211 HydrophobicContact CG2-CZ 3.84Å; I104-A214 HydrophobicContact CG2-CB 4.38Å; I104-W215 HydrophobicContact CD1-CG 4.31Å; I104-W215 HydrophobicContact CG2-CB 4.48Å; I104-V218 HydrophobicContact CB-CG2 4.32Å; I104-V218 HydrophobicContact CG1-CB 3.76Å; I104-V218 HydrophobicContact CG1-CG1 4.15Å; I104-V218 HydrophobicContact CG1-CG2 3.64Å
105A92.3Very high86.9Confident0 Ų031.8 Ų31.80%018%0.184CC..Hα-helixtrans-60.1-40.3177.300000111.9L81 L97 D101 H109 I185 F189L81-A105 HydrophobicContact CD1-CB 4.34Å; L97-A105 HydrophobicContact CD1-CB 4.03Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.47Å; D101-A105 PolarHBondContact O-N 2.78Å; A105-H109 VanDerWaalsContact O-CB 3.29Å; A105-H109 WeakPolarHBondContact O-CB 3.43Å; A105-H109 PolarHBondContact O-N 2.89Å; A105-I185 HydrophobicContact CB-CD1 4.28Å; A105-I185 HydrophobicContact CB-CG1 4.33Å; A105-I185 HydrophobicContact CB-CG2 3.97Å; A105-F189 HydrophobicContact CB-CE2 4.22Å; A105-F189 HydrophobicContact CB-CZ 4.45Å
106F94.2Very high88.1Confident2 Ų236.1 Ų36.11%0.00921%0.208CC..Hα-helixtrans-63.4-50.8175.7-178.8-91.3000112L72 C77 L80 L81 T102 L103 I104 Y108 H109 C110 L120 W124L72-F106 HydrophobicContact CD1-CD1 4.35Å; L72-F106 HydrophobicContact CD1-CE1 3.81Å; L72-F106 HydrophobicContact CD2-CE1 4.03Å; L72-F106 HydrophobicContact CD2-CZ 4.08Å; C77-F106 HydrophobicContact CB-CB 3.81Å; C77-F106 HydrophobicContact CB-CD2 3.89Å; C77-F106 HydrophobicContact CB-CG 3.91Å; C77-F106 VanDerWaalsContact SG-CG 3.51Å; L80-F106 HydrophobicContact CB-CE2 4Å; L80-F106 HydrophobicContact CD1-CE2 3.9Å; L80-F106 HydrophobicContact CD1-CZ 4.29Å; L81-F106 HydrophobicContact CD1-CB 4.23Å; L81-F106 HydrophobicContact CD2-CD2 4.42Å; L81-F106 HydrophobicContact CG-CD2 4.13Å; T102-F106 PolarHBondContact O-N 3.07Å; T102-F106 VanDerWaalsContact O-N 3.09Å; L103-F106 PolarHBondContact O-N 3.43Å; I104-F106 VanDerWaalsContact C-N 3.3Å; I104-F106 PolarHBondContact O-N 3.11Å; F106-Y108 PolarHBondContact O-N 2.81Å; F106-H109 PolarHBondContact O-N 3.08Å; F106-C110 WeakPolarHBondContact O-CB 3.29Å; F106-C110 PolarHBondContact O-N 3.4Å; F106-C110 PolarHBondContact O-SG 3.25Å; F106-C110 VanDerWaalsContact O-SG 3.39Å; F106-L120 HydrophobicContact CD2-CD1 4.38Å; F106-L120 HydrophobicContact CE2-CD1 3.99Å; F106-W124 HydrophobicContact CE1-CD2 4.19Å; F106-W124 HydrophobicContact CE1-CE3 4.42Å; F106-W124 HydrophobicContact CE2-CE3 4.49Å; F106-W124 HydrophobicContact CE2-CH2 4.46Å; F106-W124 HydrophobicContact CE2-CZ3 4.28Å; F106-W124 AromaticContact CZ-CD2 3.75Å; F106-W124 HydrophobicContact CZ-CD2 3.75Å; F106-W124 AromaticContact CZ-CE2 3.9Å; F106-W124 AromaticContact CZ-CE3 3.62Å; F106-W124 HydrophobicContact CZ-CE3 3.62Å; F106-W124 AromaticContact CZ-CH2 3.92Å; F106-W124 HydrophobicContact CZ-CH2 3.92Å; F106-W124 AromaticContact CZ-CZ2 3.95Å; F106-W124 HydrophobicContact CZ-CZ2 3.95Å; F106-W124 AromaticContact CZ-CZ3 3.75Å; F106-W124 HydrophobicContact CZ-CZ3 3.75Å
107M96.4Very high88.7Confident2 Ų237.2 Ų37.21%0.0121%0.206CC..Hα-helixtrans-63.4-41.8178.9-68.6-53.1-65.800111.9L103 I104 C110 K111 Y127 L128 L131 W213 A214 T217 V218 L272L103-M107 WeakPolarHBondContact O-CG 3.47Å; L103-M107 PolarHBondContact O-N 2.68Å; I104-M107 PolarHBondContact O-N 2.76Å; M107-C110 PolarHBondContact O-N 3.38Å; M107-K111 WeakPolarHBondContact O-CB 3.22Å; M107-K111 PolarHBondContact O-N 3.36Å; M107-Y127 HydrophobicContact CE-CE1 4.16Å; M107-L128 HydrophobicContact CE-CD2 3.61Å; M107-L131 HydrophobicContact CE-CD1 3.63Å; M107-W213 HydrophobicContact CE-CH2 3.95Å; M107-W213 HydrophobicContact CE-CZ3 4.27Å; M107-A214 HydrophobicContact CB-CB 4.04Å; M107-T217 HydrophobicContact CE-CG2 3.96Å; M107-V218 HydrophobicContact CG-CG2 4.09Å; M107-L272 HydrophobicContact CG-CD1 3.66Å; M107-L272 HydrophobicContact SD-CD1 3.81Å
108Y94.5Very high89.1Confident9 Ų936.8 Ų36.84%0.03520%0.204CC..Hα-helixtrans-60.5-49.7175.7179.5-118.9000111.1I104 F106 C110 K111 C112 W182 F189 P208 E210 F211I104-Y108 WeakPolarHBondContact O-CB 3.34Å; I104-Y108 PolarHBondContact O-N 2.71Å; F106-Y108 PolarHBondContact O-N 2.81Å; Y108-C110 PolarHBondContact O-N 2.83Å; Y108-K111 PolarHBondContact O-N 3.35Å; Y108-K111 VanDerWaalsContact O-N 3.16Å; Y108-C112 HydrophobicContact CD2-CB 4.4Å; Y108-C112 HydrophobicContact CE2-CB 4.06Å; Y108-C112 WeakPolarHBondContact O-CB 3.47Å; Y108-C112 PolarHBondContact O-N 3Å; Y108-C112 PolarHBondContact O-SG 3.36Å; Y108-W182 HydrophobicContact CE1-CZ3 4.41Å; Y108-F189 HydrophobicContact CD1-CD1 4.42Å; Y108-F189 AromaticContact CD1-CD2 3.92Å; Y108-F189 HydrophobicContact CD1-CD2 3.92Å; Y108-F189 HydrophobicContact CD1-CE1 4.31Å; Y108-F189 AromaticContact CD1-CE2 3.79Å; Y108-F189 HydrophobicContact CD1-CE2 3.79Å; Y108-F189 HydrophobicContact CD1-CG 4.24Å; Y108-F189 HydrophobicContact CD1-CZ 4Å; Y108-F189 HydrophobicContact CE1-CB 4.41Å; Y108-F189 HydrophobicContact CE1-CD1 4.35Å; Y108-F189 AromaticContact CE1-CD2 3.98Å; Y108-F189 HydrophobicContact CE1-CD2 3.98Å; Y108-F189 HydrophobicContact CE1-CE2 4.33Å; Y108-F189 AromaticContact CE1-CG 3.99Å; Y108-F189 HydrophobicContact CE1-CG 3.99Å; Y108-P208 HydrophobicContact CE2-CG 4.41Å; Y108-E210 HydrophobicContact CD2-CB 4.22Å; Y108-E210 HydrophobicContact CE2-CB 3.84Å; Y108-F211 HydrophobicContact CD1-CD2 4.24Å; Y108-F211 VanDerWaalsContact CD2-CA 3.46Å; Y108-F211 HydrophobicContact CD2-CB 3.83Å; Y108-F211 HydrophobicContact CD2-CD2 4.16Å; Y108-F211 HydrophobicContact CE2-CB 3.69Å; Y108-F211 HydrophobicContact CE2-CD2 4.48Å; Y108-F211 HydrophobicContact CG-CD2 4.03Å
109H92.4Very high89.2Confident7 Ų733 Ų333%0.03218%0.184CC..Hα-helixtrans-56.4-49.3176.9176.861.4000112.3L81 C84 C86 F87 A105 F106 K111 C112 S113 C118 F189L81-H109 HydrophobicContact CD2-CB 3.89Å; C84-H109 PolarHBondContact SG-NE2 3.35Å; C84-H109 VanDerWaalsContact SG-NE2 3.39Å; C86-H109 VanDerWaalsContact CB-CE1 3.5Å; C86-H109 WeakPolarHBondContact CB-CE1 3.46Å; F87-H109 AromaticContact CE2-CD2 3.99Å; F87-H109 AromaticContact CE2-CE1 3.55Å; F87-H109 AromaticContact CE2-CG 3.92Å; F87-H109 AromaticContact CE2-ND1 3.65Å; F87-H109 AromaticContact CE2-NE2 3.76Å; F87-H109 HydrophobicContact CZ-CB 4.49Å; F87-H109 AromaticContact CZ-CE1 3.97Å; F87-H109 AromaticContact CZ-CG 3.92Å; F87-H109 AromaticContact CZ-ND1 3.61Å; A105-H109 VanDerWaalsContact O-CB 3.29Å; A105-H109 WeakPolarHBondContact O-CB 3.43Å; A105-H109 PolarHBondContact O-N 2.89Å; F106-H109 PolarHBondContact O-N 3.08Å; H109-K111 PolarHBondContact O-N 3.18Å; H109-C112 PolarHBondContact O-N 3.46Å; H109-S113 WeakPolarHBondContact O-CB 3.34Å; H109-S113 PolarHBondContact O-N 2.88Å; H109-C118 PolarHBondContact NE2-SG 2.81Å; H109-F189 HydrophobicContact CB-CE1 3.74Å; H109-F189 HydrophobicContact CB-CZ 3.88Å; H109-F189 AromaticContact ND1-CE1 3.89Å
110C93.5Very high89.4Confident1 Ų130.5 Ų30.51%0.00717%0.167CC..Hα-helixtrans-59.7-36.1179.4-77.90000112.1F106 M107 Y108 R121 L128F106-C110 WeakPolarHBondContact O-CB 3.29Å; F106-C110 PolarHBondContact O-N 3.4Å; F106-C110 PolarHBondContact O-SG 3.25Å; F106-C110 VanDerWaalsContact O-SG 3.39Å; M107-C110 PolarHBondContact O-N 3.38Å; Y108-C110 PolarHBondContact O-N 2.83Å; C110-R121 WeakPolarHBondContact O-CG 3.09Å; C110-L128 HydrophobicContact CB-CD1 3.89Å; C110-L128 HydrophobicContact CB-CD2 4.29Å
111K91.5Very high89.4Confident81 Ų8133.8 Ų33.835%0.35218%0.176SC..Hα-helixtrans-75.6-47.6177.1-171.871.3169.8-164.30113.2M107 Y108 H109 E210 W213M107-K111 WeakPolarHBondContact O-CB 3.22Å; M107-K111 PolarHBondContact O-N 3.36Å; Y108-K111 PolarHBondContact O-N 3.35Å; Y108-K111 VanDerWaalsContact O-N 3.16Å; H109-K111 PolarHBondContact O-N 3.18Å; K111-E210 HydrophobicContact CG-CB 4.46Å; K111-E210 HydrophobicContact CG-CG 4.48Å; K111-W213 HydrophobicContact CB-CE3 3.95Å; K111-W213 HydrophobicContact CB-CZ3 3.71Å; K111-W213 HydrophobicContact CD-CD2 4.17Å; K111-W213 HydrophobicContact CD-CE3 3.83Å; K111-W213 HydrophobicContact CD-CH2 4.01Å; K111-W213 HydrophobicContact CD-CZ2 4.28Å; K111-W213 HydrophobicContact CD-CZ3 3.76Å; K111-W213 HydrophobicContact CG-CD2 4.36Å; K111-W213 HydrophobicContact CG-CE3 3.71Å; K111-W213 HydrophobicContact CG-CZ3 3.86Å
112C88Confident89.3Confident30 Ų3039.1 Ų39.120%0.20320%0.199CC..Hα-helixtrans-93.5-15.4-167.475.30000114.4Y108 H109 T114Y108-C112 HydrophobicContact CD2-CB 4.4Å; Y108-C112 HydrophobicContact CE2-CB 4.06Å; Y108-C112 WeakPolarHBondContact O-CB 3.47Å; Y108-C112 PolarHBondContact O-N 3Å; Y108-C112 PolarHBondContact O-SG 3.36Å; H109-C112 PolarHBondContact O-N 3.46Å; C112-T114 PolarHBondContact O-N 3.19Å
113S85.6Confident89.3Confident11 Ų1139.8 Ų39.88%0.07720%0.202CC..  trans-61.4114.5-176.9172.60000112H109 C118 R121H109-S113 WeakPolarHBondContact O-CB 3.34Å; H109-S113 PolarHBondContact O-N 2.88Å; S113-C118 WeakPolarHBondContact OG-CB 3.08Å; S113-C118 PolarHBondContact OG-SG 3.2Å; S113-R121 WeakPolarHBondContact O-CD 3.2Å; S113-R121 PolarHBondContact O-NH1 3.4Å
114T81Confident89.3Confident130 Ų13039.9 Ų39.980%0.79820%0.203SC*.  trans-84-12.1175.157.10000113C112 T116C112-T114 PolarHBondContact O-N 3.19Å; T114-T116 PolarHBondContact O-N 3.35Å
115S82Confident89.2Confident46 Ų4641.9 Ų41.932%0.32222%0.22SC..  trans-64.5120.7-179.6177.40000111.3K117 C118S115-K117 PolarHBondContact O-N 2.83Å; S115-K117 PolarHBondContact OG-N 2.99Å; S115-C118 VanDerWaalsContact O-CB 3.29Å; S115-C118 WeakPolarHBondContact O-CB 3.31Å; S115-C118 PolarHBondContact O-N 2.94Å; S115-C118 PolarHBondContact OG-N 3.23Å
116T80.9Confident89.3Confident117 Ų11742.9 Ų42.972%0.71823%0.226SC*.THydrogen-bonded Turntrans-65.7-14.1171.857.50000112.7T114 K122T114-T116 PolarHBondContact O-N 3.35Å; T116-K122 WeakPolarHBondContact O-CE 3.48Å; T116-K122 PolarHBondContact O-NZ 3.24Å
117K80.8Confident89.3Confident152 Ų15242.8 Ų42.866%0.66123%0.225SC*.THydrogen-bonded Turntrans-93.3-4.1174.6-60.2-174.1-179.5-177.60113.3S115 I119S115-K117 PolarHBondContact O-N 2.83Å; S115-K117 PolarHBondContact OG-N 2.99Å; K117-I119 PolarHBondContact O-N 3.36Å; K117-I119 VanDerWaalsContact O-N 3.08Å
118C87.2Confident89.2Confident1 Ų143.7 Ų43.71%0.00723%0.23CC..  trans-64.8113.3179-179.80000110.5C86 H109 S113 S115 R121 K122C86-C118 VanDerWaalsContact SG-CB 3.54Å; H109-C118 PolarHBondContact NE2-SG 2.81Å; S113-C118 WeakPolarHBondContact OG-CB 3.08Å; S113-C118 PolarHBondContact OG-SG 3.2Å; S115-C118 VanDerWaalsContact O-CB 3.29Å; S115-C118 WeakPolarHBondContact O-CB 3.31Å; S115-C118 PolarHBondContact O-N 2.94Å; S115-C118 PolarHBondContact OG-N 3.23Å; C118-R121 HydrophobicContact CB-CB 4.1Å; C118-R121 VanDerWaalsContact SG-CB 3.58Å; C118-R121 PolarHBondContact SG-N 3.28Å; C118-R121 VanDerWaalsContact SG-N 3.35Å; C118-K122 WeakPolarHBondContact O-CG 3.28Å
119I85.7Confident89.2Confident2 Ų245.8 Ų45.81%0.0125%0.246CC..Hα-helixtrans-73.9-43.9-177.7-60.4169.5000110.2P85 K117 R121 K122 I123 L246 L249 S250 F251P85-I119 HydrophobicContact CG-CD1 3.82Å; P85-I119 HydrophobicContact CG-CG1 4.33Å; K117-I119 PolarHBondContact O-N 3.36Å; K117-I119 VanDerWaalsContact O-N 3.08Å; I119-R121 PolarHBondContact O-N 3.09Å; I119-K122 WeakPolarHBondContact O-CB 2.99Å; I119-K122 PolarHBondContact O-N 3.39Å; I119-K122 VanDerWaalsContact O-N 3.09Å; I119-I123 HydrophobicContact CG2-CD1 3.57Å; I119-I123 HydrophobicContact CG2-CG1 4.15Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 2.76Å; I119-L246 HydrophobicContact CG2-CD1 4.02Å; I119-L246 HydrophobicContact CG2-CD2 4.32Å; I119-L249 HydrophobicContact CD1-CB 3.79Å; I119-L249 HydrophobicContact CG1-CB 4.08Å; I119-L249 HydrophobicContact CG1-CD1 4.18Å; I119-L249 HydrophobicContact CG1-CD2 4.17Å; I119-L249 HydrophobicContact CG1-CG 4.37Å; I119-L249 HydrophobicContact CG2-CD1 3.94Å; I119-S250 WeakPolarHBondContact CD1-O 3.49Å; I119-F251 HydrophobicContact CB-CE1 4.28Å; I119-F251 HydrophobicContact CB-CZ 4.14Å; I119-F251 HydrophobicContact CD1-CD1 4.01Å; I119-F251 HydrophobicContact CD1-CD2 3.8Å; I119-F251 HydrophobicContact CD1-CE1 4.02Å; I119-F251 HydrophobicContact CD1-CE2 3.79Å; I119-F251 HydrophobicContact CD1-CG 3.92Å; I119-F251 HydrophobicContact CD1-CZ 3.92Å; I119-F251 HydrophobicContact CG2-CE1 3.94Å; I119-F251 HydrophobicContact CG2-CE2 3.92Å; I119-F251 HydrophobicContact CG2-CZ 3.36Å
120L90.6Very high89.2Confident0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-60.6-47.3-177.9-52.9-176.9000111.5L80 L81 C84 F106 K122 I123 W124L80-L120 HydrophobicContact CB-CD1 4.33Å; L80-L120 HydrophobicContact CB-CD2 3.88Å; L80-L120 HydrophobicContact CD2-CD2 3.98Å; L80-L120 HydrophobicContact CG-CD2 4.45Å; L81-L120 HydrophobicContact CD2-CD1 4.06Å; C84-L120 HydrophobicContact CB-CD1 3.67Å; C84-L120 HydrophobicContact CB-CG 3.86Å; F106-L120 HydrophobicContact CD2-CD1 4.38Å; F106-L120 HydrophobicContact CE2-CD1 3.99Å; L120-K122 PolarHBondContact O-N 2.95Å; L120-I123 PolarHBondContact O-N 2.47Å; L120-W124 HydrophobicContact CB-CE3 4.28Å; L120-W124 HydrophobicContact CB-CZ3 4.25Å; L120-W124 HydrophobicContact CD2-CH2 4.5Å; L120-W124 HydrophobicContact CD2-CZ3 3.71Å; L120-W124 VanDerWaalsContact O-CE3 3.31Å; L120-W124 PolarHBondContact O-N 3.24Å
121R90.5Very high89.2Confident113 Ų11346.1 Ų46.143%0.42625%0.248SC..Hα-helixtrans-56.1-39.4175.6177.2175.1169.1-152.9-5.4112.4C110 S113 C118 I119 A125C110-R121 WeakPolarHBondContact O-CG 3.09Å; S113-R121 WeakPolarHBondContact O-CD 3.2Å; S113-R121 PolarHBondContact O-NH1 3.4Å; C118-R121 HydrophobicContact CB-CB 4.1Å; C118-R121 VanDerWaalsContact SG-CB 3.58Å; C118-R121 PolarHBondContact SG-N 3.28Å; C118-R121 VanDerWaalsContact SG-N 3.35Å; I119-R121 PolarHBondContact O-N 3.09Å; R121-A125 WeakPolarHBondContact O-CA 3.42Å; R121-A125 VanDerWaalsContact O-CB 3.31Å; R121-A125 WeakPolarHBondContact O-CB 3.16Å; R121-A125 PolarHBondContact O-N 3.2Å; R121-A125 VanDerWaalsContact O-N 3.09Å
122K88.9Confident89.2Confident116 Ų11644.4 Ų44.450%0.50425%0.245SC..Hα-helixtrans-68.5-45.5179.2-72.4178.3-1771760112T116 C118 I119 L120 A125T116-K122 WeakPolarHBondContact O-CE 3.48Å; T116-K122 PolarHBondContact O-NZ 3.24Å; C118-K122 WeakPolarHBondContact O-CG 3.28Å; I119-K122 WeakPolarHBondContact O-CB 2.99Å; I119-K122 PolarHBondContact O-N 3.39Å; I119-K122 VanDerWaalsContact O-N 3.09Å; L120-K122 PolarHBondContact O-N 2.95Å; K122-A125 PolarHBondContact O-N 3.05Å
123I90Very high89.1Confident14 Ų1449.7 Ų49.77%0.07227%0.267CS..Hα-helixtrans-61.3-50.5-178.5-70.1169.6000111.2W18 H69 I119 L120 L241 L246W18-I123 PolarHBondContact NE1-O 3.04Å; H69-I123 WeakPolarHBondContact CD2-CG2 3.48Å; H69-I123 WeakPolarHBondContact NE2-CG2 3.31Å; I119-I123 HydrophobicContact CG2-CD1 3.57Å; I119-I123 HydrophobicContact CG2-CG1 4.15Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 2.76Å; L120-I123 PolarHBondContact O-N 2.47Å; I123-L241 HydrophobicContact CD1-CD2 4.36Å; I123-L246 HydrophobicContact CD1-CD1 3.53Å; I123-L246 HydrophobicContact CD1-CD2 3.96Å; I123-L246 HydrophobicContact CD1-CG 4.38Å; I123-L246 HydrophobicContact CG1-CD1 4.38Å; I123-L246 HydrophobicContact CG1-CD2 3.9Å
124W93.6Very high89.1Confident2 Ų252.8 Ų52.81%0.00829%0.285CS..THydrogen-bonded Turntrans-90.75.3-176.2-75.1-86.8000113.6W18 H69 L72 L80 F106 L120 P126 Y127 L128W18-W124 AromaticContact CH2-CD1 3.9Å; W18-W124 AromaticContact CZ2-CD1 3.92Å; H69-W124 HydrophobicContact CB-CZ2 4.49Å; H69-W124 AromaticContact CD2-CH2 3.93Å; H69-W124 AromaticContact CD2-CZ2 3.75Å; H69-W124 PolarHBondContact O-NE1 2.62Å; L72-W124 HydrophobicContact CD2-CZ2 3.57Å; L80-W124 HydrophobicContact CD1-CH2 3.4Å; L80-W124 HydrophobicContact CD1-CZ2 3.93Å; L80-W124 HydrophobicContact CD1-CZ3 4.24Å; L80-W124 HydrophobicContact CD2-CH2 4.05Å; L80-W124 HydrophobicContact CG-CH2 4.33Å; F106-W124 HydrophobicContact CE1-CD2 4.19Å; F106-W124 HydrophobicContact CE1-CE3 4.42Å; F106-W124 HydrophobicContact CE2-CE3 4.49Å; F106-W124 HydrophobicContact CE2-CH2 4.46Å; F106-W124 HydrophobicContact CE2-CZ3 4.28Å; F106-W124 AromaticContact CZ-CD2 3.75Å; F106-W124 HydrophobicContact CZ-CD2 3.75Å; F106-W124 AromaticContact CZ-CE2 3.9Å; F106-W124 AromaticContact CZ-CE3 3.62Å; F106-W124 HydrophobicContact CZ-CE3 3.62Å; F106-W124 AromaticContact CZ-CH2 3.92Å; F106-W124 HydrophobicContact CZ-CH2 3.92Å; F106-W124 AromaticContact CZ-CZ2 3.95Å; F106-W124 HydrophobicContact CZ-CZ2 3.95Å; F106-W124 AromaticContact CZ-CZ3 3.75Å; F106-W124 HydrophobicContact CZ-CZ3 3.75Å; L120-W124 HydrophobicContact CB-CE3 4.28Å; L120-W124 HydrophobicContact CB-CZ3 4.25Å; L120-W124 HydrophobicContact CD2-CH2 4.5Å; L120-W124 HydrophobicContact CD2-CZ3 3.71Å; L120-W124 VanDerWaalsContact O-CE3 3.31Å; L120-W124 PolarHBondContact O-N 3.24Å; W124-P126 VanDerWaalsContact C-CD 3.46Å; W124-P126 VanDerWaalsContact C-N 3.32Å; W124-Y127 PolarHBondContact O-N 3.01Å; W124-L128 VanDerWaalsContact O-CG 3.31Å; W124-L128 WeakPolarHBondContact O-CG 3.41Å; W124-L128 PolarHBondContact O-N 3.03Å
125A93.2Very high89.5Confident44 Ų4447.8 Ų47.836%0.36425%0.252SS..Hα-helixtrans-51-43.2177.800000113.7R121 K122 Y127 L128 S129R121-A125 WeakPolarHBondContact O-CA 3.42Å; R121-A125 VanDerWaalsContact O-CB 3.31Å; R121-A125 WeakPolarHBondContact O-CB 3.16Å; R121-A125 PolarHBondContact O-N 3.2Å; R121-A125 VanDerWaalsContact O-N 3.09Å; K122-A125 PolarHBondContact O-N 3.05Å; A125-Y127 VanDerWaalsContact C-N 3.33Å; A125-Y127 PolarHBondContact O-N 2.86Å; A125-L128 PolarHBondContact O-N 3.28Å; A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 PolarHBondContact O-OG 2.81Å
126P94Very high89.7Confident20 Ų2047.4 Ų47.413%0.1325%0.246CC..Hα-helixtrans-65.3-32.4176.9-23.136.3000113.7F15 W18 W124 S129F15-P126 HydrophobicContact CB-CB 4.45Å; F15-P126 HydrophobicContact CD2-CB 4.46Å; F15-P126 WeakPolarHBondContact CD2-O 3.41Å; W18-P126 HydrophobicContact CB-CB 3.73Å; W18-P126 HydrophobicContact CB-CG 3.85Å; W18-P126 HydrophobicContact CD2-CB 4.36Å; W18-P126 HydrophobicContact CG-CB 3.91Å; W18-P126 HydrophobicContact CG-CG 3.82Å; W124-P126 VanDerWaalsContact C-CD 3.46Å; W124-P126 VanDerWaalsContact C-N 3.32Å; P126-S129 PolarHBondContact O-OG 3.32Å
127Y95.3Very high90.2Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-73.4-43.8174.4175.8-130.6000111.4F15 M107 W124 A125 S129 V130 L131 P274 D277F15-Y127 AromaticContact CE2-CD2 3.79Å; F15-Y127 HydrophobicContact CE2-CD2 3.79Å; F15-Y127 HydrophobicContact CE2-CG 4.3Å; F15-Y127 HydrophobicContact CZ-CD2 4.05Å; M107-Y127 HydrophobicContact CE-CE1 4.16Å; W124-Y127 PolarHBondContact O-N 3.01Å; A125-Y127 VanDerWaalsContact C-N 3.33Å; A125-Y127 PolarHBondContact O-N 2.86Å; Y127-S129 VanDerWaalsContact C-N 3.25Å; Y127-S129 PolarHBondContact O-N 3.35Å; Y127-V130 HydrophobicContact CD2-CG2 4.31Å; Y127-V130 WeakPolarHBondContact O-CG2 3.41Å; Y127-V130 PolarHBondContact O-N 2.89Å; Y127-L131 HydrophobicContact CD1-CD1 4.41Å; Y127-L131 HydrophobicContact CD2-CG 4.41Å; Y127-L131 HydrophobicContact CE1-CD1 4Å; Y127-L131 HydrophobicContact CE2-CD1 4.31Å; Y127-L131 HydrophobicContact CE2-CD2 3.78Å; Y127-L131 HydrophobicContact CE2-CG 4.02Å; Y127-L131 PolarHBondContact O-N 3.27Å; Y127-P274 HydrophobicContact CD1-CB 4.49Å; Y127-P274 HydrophobicContact CD1-CG 3.92Å; Y127-P274 HydrophobicContact CD2-CB 3.72Å; Y127-P274 HydrophobicContact CD2-CG 4.05Å; Y127-P274 HydrophobicContact CE1-CG 4.01Å; Y127-P274 HydrophobicContact CE2-CB 3.92Å; Y127-P274 HydrophobicContact CE2-CG 4.15Å; Y127-P274 HydrophobicContact CG-CB 4.03Å; Y127-P274 HydrophobicContact CG-CG 3.94Å; Y127-D277 WeakPolarHBondContact CE2-OD2 3.38Å; Y127-D277 PolarHBondContact OH-OD2 3.17Å
128L94.6Very high90.8Very high22 Ų2235.2 Ų35.212%0.11518%0.184CC..Hα-helixtrans-62.3-31.8178.7-62.6169.1000112.7M107 C110 W124 A125 V130 L131 W213M107-L128 HydrophobicContact CE-CD2 3.61Å; C110-L128 HydrophobicContact CB-CD1 3.89Å; C110-L128 HydrophobicContact CB-CD2 4.29Å; W124-L128 VanDerWaalsContact O-CG 3.31Å; W124-L128 WeakPolarHBondContact O-CG 3.41Å; W124-L128 PolarHBondContact O-N 3.03Å; A125-L128 PolarHBondContact O-N 3.28Å; L128-V130 VanDerWaalsContact C-N 3.3Å; L128-L131 HydrophobicContact CD2-CD1 4.47Å; L128-W213 HydrophobicContact CD2-CH2 3.79Å; L128-W213 HydrophobicContact CD2-CZ3 4.41Å
129S93.6Very high91.1Very high53 Ų5335.2 Ų35.237%0.37118%0.184SC..THydrogen-bonded Turntrans-74.7-18.1-179.267.60000113.7A125 P126 Y127A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 PolarHBondContact O-OG 2.81Å; P126-S129 PolarHBondContact O-OG 3.32Å; Y127-S129 VanDerWaalsContact C-N 3.25Å; Y127-S129 PolarHBondContact O-N 3.35Å
130V93.4Very high91.4Very high4 Ų435.3 Ų35.32%0.02419%0.185CC..THydrogen-bonded Turntrans-101.4-9.6178.4-62.30000113.4L12 F15 R46 Y127 L128 F278L12-V130 HydrophobicContact CD2-CB 4.42Å; L12-V130 HydrophobicContact CD2-CG1 3.93Å; L12-V130 HydrophobicContact CG-CG1 4.48Å; F15-V130 HydrophobicContact CB-CG1 3.61Å; F15-V130 HydrophobicContact CB-CG2 4.26Å; F15-V130 HydrophobicContact CD1-CB 4.44Å; F15-V130 HydrophobicContact CD1-CG1 4.18Å; F15-V130 HydrophobicContact CD1-CG2 3.79Å; F15-V130 HydrophobicContact CD2-CG2 3.9Å; F15-V130 HydrophobicContact CE1-CG2 4Å; F15-V130 HydrophobicContact CE2-CG2 4.13Å; F15-V130 HydrophobicContact CG-CB 4.46Å; F15-V130 HydrophobicContact CG-CG1 3.97Å; F15-V130 HydrophobicContact CG-CG2 3.71Å; F15-V130 HydrophobicContact CZ-CG2 4.16Å; R46-V130 PolarHBondContact NH1-O 3.45Å; Y127-V130 HydrophobicContact CD2-CG2 4.31Å; Y127-V130 WeakPolarHBondContact O-CG2 3.41Å; Y127-V130 PolarHBondContact O-N 2.89Å; L128-V130 VanDerWaalsContact C-N 3.3Å; V130-F278 HydrophobicContact CB-CZ 4.03Å; V130-F278 HydrophobicContact CG2-CE2 4.36Å; V130-F278 HydrophobicContact CG2-CZ 3.71Å
131L93.6Very high91.4Very high10 Ų1035.3 Ų35.35%0.05219%0.185CC..SBendtrans-70.6156.6172.4-72.1174000111.6M107 Y127 L128 E133 W213 T217M107-L131 HydrophobicContact CE-CD1 3.63Å; Y127-L131 HydrophobicContact CD1-CD1 4.41Å; Y127-L131 HydrophobicContact CD2-CG 4.41Å; Y127-L131 HydrophobicContact CE1-CD1 4Å; Y127-L131 HydrophobicContact CE2-CD1 4.31Å; Y127-L131 HydrophobicContact CE2-CD2 3.78Å; Y127-L131 HydrophobicContact CE2-CG 4.02Å; Y127-L131 PolarHBondContact O-N 3.27Å; L128-L131 HydrophobicContact CD2-CD1 4.47Å; L131-E133 PolarHBondContact O-N 2.92Å; L131-W213 HydrophobicContact CB-CZ2 4.04Å; L131-W213 HydrophobicContact CD1-CH2 3.93Å; L131-W213 HydrophobicContact CD1-CZ2 3.97Å; L131-T217 HydrophobicContact CD1-CG2 3.86Å; L131-T217 HydrophobicContact CD2-CG2 4.44Å
132P90Very high91.4Very high45 Ų4529.9 Ų29.929%0.29216%0.164SC..  trans-54.8135174-24.434.1000111.8V134 Y135 W213P132-V134 VanDerWaalsContact C-N 3.32Å; P132-Y135 HydrophobicContact CB-CE1 4.38Å; P132-Y135 HydrophobicContact CB-CE2 4.5Å; P132-Y135 HydrophobicContact CG-CE1 4.14Å; P132-W213 PolarHBondContact O-NE1 3.25Å
133E87.4Confident91.4Very high142 Ų14224.9 Ų24.966%0.66414%0.143SC*.SBendtrans-68.8-35.4175.8-68.9-170.3168.500111.8L131 W213L131-E133 PolarHBondContact O-N 2.92Å; E133-W213 VanDerWaalsContact O-CD1 3.28Å
134V85.7Confident91.2Very high75 Ų7527.5 Ų27.546%0.45516%0.157SC..SBendtrans-137.9140.3-178.7-179.80000108.5P132 L136 L144P132-V134 VanDerWaalsContact C-N 3.32Å; V134-L136 HydrophobicContact CG1-CD2 3.91Å; V134-L144 HydrophobicContact CG1-CD1 4.08Å
135Y89.6Confident90.6Very high25 Ų2528.1 Ų28.110%0.09816%0.16CC..  trans-96.5137.6167.8-66.2-93000108.4P132 D137 S140 W213 C216 T217 S220 R221P132-Y135 HydrophobicContact CB-CE1 4.38Å; P132-Y135 HydrophobicContact CB-CE2 4.5Å; P132-Y135 HydrophobicContact CG-CE1 4.14Å; Y135-D137 WeakPolarHBondContact CB-OD2 3.49Å; Y135-S140 WeakPolarHBondContact O-CB 3.39Å; Y135-W213 AromaticContact CE2-CD1 3.87Å; Y135-W213 HydrophobicContact CE2-CG 4.48Å; Y135-W213 AromaticContact CE2-NE1 3.9Å; Y135-C216 HydrophobicContact CD1-CB 4.05Å; Y135-C216 HydrophobicContact CD2-CB 3.53Å; Y135-C216 HydrophobicContact CE2-CB 4.09Å; Y135-C216 HydrophobicContact CG-CB 3.52Å; Y135-T217 WeakPolarHBondContact CE2-OG1 3.41Å; Y135-T217 VanDerWaalsContact OH-CA 3.25Å; Y135-T217 WeakPolarHBondContact OH-CA 3.38Å; Y135-T217 WeakPolarHBondContact OH-CB 3.24Å; Y135-T217 PolarHBondContact OH-OG1 3.2Å; Y135-S220 WeakPolarHBondContact CE1-OG 3.44Å; Y135-R221 PolarHBondContact OH-NE 3.16Å
136L86.3Confident89.6Confident38 Ų3827.9 Ų27.920%0.19915%0.154CC..  trans-111.419-174.9-61175.9000112V134 I551 L553 Q556V134-L136 HydrophobicContact CG1-CD2 3.91Å; L136-I551 HydrophobicContact CD1-CD1 4.01Å; L136-L553 HydrophobicContact CD2-CD2 4.06Å; L136-Q556 HydrophobicContact CB-CG 4.09Å; L136-Q556 HydrophobicContact CD1-CG 4.13Å; L136-Q556 HydrophobicContact CD2-CG 4.39Å; L136-Q556 HydrophobicContact CG-CG 4.43Å
137D91.4Very high88.6Confident10 Ų1032.7 Ų32.75%0.05318%0.179CC..SBendtrans-58.1155.6167.568.386.9000110.2Y135 L139 S140 C141Y135-D137 WeakPolarHBondContact CB-OD2 3.49Å; D137-L139 VanDerWaalsContact C-N 3.3Å; D137-L139 PolarHBondContact O-N 3.03Å; D137-L139 WeakPolarHBondContact OD1-CB 3.46Å; D137-L139 PolarHBondContact OD1-N 3.22Å; D137-S140 PolarHBondContact O-N 3.42Å; D137-S140 VanDerWaalsContact O-N 3.16Å; D137-S140 PolarHBondContact OD1-N 3.39Å; D137-S140 PolarHBondContact OD1-OG 2.83Å; D137-S140 VanDerWaalsContact OD2-CB 3.27Å; D137-S140 WeakPolarHBondContact OD2-CB 3.45Å; D137-S140 PolarHBondContact OD2-OG 3.41Å; D137-C141 PolarHBondContact O-N 2.77Å
138P93.2Very high87.8Confident3 Ų333.1 Ų33.12%0.01918%0.182CC..Hα-helixtrans-48.5-45.4179.6-35.939.7000115S140 C141 I142 L171 L325 T326 F557 F561P138-S140 PolarHBondContact O-N 3.13Å; P138-C141 PolarHBondContact O-N 2.92Å; P138-I142 WeakPolarHBondContact O-CD1 3.12Å; P138-I142 WeakPolarHBondContact O-CG1 3.31Å; P138-I142 PolarHBondContact O-N 2.88Å; P138-L171 HydrophobicContact CB-CD2 3.87Å; P138-L325 WeakPolarHBondContact CD-O 3.41Å; P138-L325 HydrophobicContact CG-CD1 3.85Å; P138-L325 HydrophobicContact CG-CD2 4.19Å; P138-L325 HydrophobicContact CG-CG 3.73Å; P138-T326 HydrophobicContact CG-CG2 4.31Å; P138-F557 HydrophobicContact CB-CD2 4.39Å; P138-F557 HydrophobicContact CB-CE2 4.15Å; P138-F561 HydrophobicContact CB-CE2 3.76Å; P138-F561 HydrophobicContact CB-CZ 4.12Å; P138-F561 HydrophobicContact CG-CE2 3.68Å; P138-F561 HydrophobicContact CG-CZ 4Å
139L92.7Very high87.5Confident1 Ų132.1 Ų32.11%0.00518%0.177CC..Hα-helixtrans-66.6-41.7-176.4-177.464.3000110.6D137 I142 L143 F154 L174 L175 L178D137-L139 VanDerWaalsContact C-N 3.3Å; D137-L139 PolarHBondContact O-N 3.03Å; D137-L139 WeakPolarHBondContact OD1-CB 3.46Å; D137-L139 PolarHBondContact OD1-N 3.22Å; L139-I142 PolarHBondContact O-N 3.14Å; L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CG 4.08Å; L139-L143 HydrophobicContact CD2-CD1 4.46Å; L139-L143 HydrophobicContact CG-CD1 3.85Å; L139-L143 HydrophobicContact CG-CG 4.37Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.09Å; L139-F154 HydrophobicContact CD1-CE2 4.05Å; L139-F154 HydrophobicContact CD1-CZ 4.15Å; L139-L174 HydrophobicContact CD2-CB 3.98Å; L139-L175 HydrophobicContact CD1-CB 4.1Å; L139-L175 HydrophobicContact CD1-CD1 4.28Å; L139-L178 HydrophobicContact CD2-CB 4.46Å; L139-L178 HydrophobicContact CD2-CD2 4.22Å
140S91.6Very high87.1Confident4 Ų429.8 Ų29.83%0.02816%0.16CC..Hα-helixtrans-60.5-45.7174-65.60000112.4Y135 D137 P138 I142 L143 L144 C216Y135-S140 WeakPolarHBondContact O-CB 3.39Å; D137-S140 PolarHBondContact O-N 3.42Å; D137-S140 VanDerWaalsContact O-N 3.16Å; D137-S140 PolarHBondContact OD1-N 3.39Å; D137-S140 PolarHBondContact OD1-OG 2.83Å; D137-S140 VanDerWaalsContact OD2-CB 3.27Å; D137-S140 WeakPolarHBondContact OD2-CB 3.45Å; D137-S140 PolarHBondContact OD2-OG 3.41Å; P138-S140 PolarHBondContact O-N 3.13Å; S140-I142 VanDerWaalsContact C-N 3.32Å; S140-I142 PolarHBondContact O-N 3.49Å; S140-L143 PolarHBondContact O-N 2.92Å; S140-L144 VanDerWaalsContact O-CB 3.27Å; S140-L144 WeakPolarHBondContact O-CB 3.43Å; S140-L144 WeakPolarHBondContact O-CG 3.38Å; S140-L144 PolarHBondContact O-N 2.9Å; S140-C216 PolarHBondContact OG-SG 3Å
141C90.7Very high86.5Confident0 Ų034.2 Ų34.20%018%0.18CC..Hα-helixtrans-58.8-45.5175.6-68.50000111.4D137 P138 D145 L149 F557D137-C141 PolarHBondContact O-N 2.77Å; P138-C141 PolarHBondContact O-N 2.92Å; C141-D145 WeakPolarHBondContact O-CB 3.37Å; C141-D145 PolarHBondContact O-N 3.37Å; C141-D145 VanDerWaalsContact O-N 3.1Å; C141-L149 HydrophobicContact CB-CD1 4.22Å; C141-F557 HydrophobicContact CB-CB 4.02Å; C141-F557 HydrophobicContact CB-CD2 4.12Å
142I90.4Very high86.1Confident0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-61.9-47.3-179.3-65.9161.5000111.9P138 L139 S140 L149 F150 I153 F154 L171 F557P138-I142 WeakPolarHBondContact O-CD1 3.12Å; P138-I142 WeakPolarHBondContact O-CG1 3.31Å; P138-I142 PolarHBondContact O-N 2.88Å; L139-I142 PolarHBondContact O-N 3.14Å; S140-I142 VanDerWaalsContact C-N 3.32Å; S140-I142 PolarHBondContact O-N 3.49Å; I142-L149 HydrophobicContact CB-CB 4.25Å; I142-L149 HydrophobicContact CG1-CB 4.18Å; I142-L149 HydrophobicContact CG1-CD1 4.46Å; I142-L149 HydrophobicContact CG2-CB 4.19Å; I142-F150 HydrophobicContact CG2-CB 4.07Å; I142-F150 HydrophobicContact CG2-CD2 4.2Å; I142-I153 HydrophobicContact CD1-CD1 3.77Å; I142-I153 HydrophobicContact CD1-CG2 4.12Å; I142-I153 HydrophobicContact CG1-CD1 3.68Å; I142-F154 HydrophobicContact CB-CE2 4.45Å; I142-F154 HydrophobicContact CD1-CE2 4.02Å; I142-F154 HydrophobicContact CD1-CZ 4.37Å; I142-F154 HydrophobicContact CG2-CD2 3.83Å; I142-F154 HydrophobicContact CG2-CE2 3.67Å; I142-L171 HydrophobicContact CD1-CD1 4.5Å; I142-L171 HydrophobicContact CD1-CD2 4.42Å; I142-F557 HydrophobicContact CD1-CE2 3.84Å; I142-F557 HydrophobicContact CG1-CD2 4.18Å; I142-F557 HydrophobicContact CG1-CE2 3.72Å
143L88.6Confident86.1Confident11 Ų1136.7 Ų36.76%0.05818%0.184CC..Hα-helixtrans-78.1-23-174.8-68176.5000113.7L139 S140 T146 F150 L175 L178 I206 L212L139-L143 HydrophobicContact CD1-CD1 3.89Å; L139-L143 HydrophobicContact CD1-CG 4.08Å; L139-L143 HydrophobicContact CD2-CD1 4.46Å; L139-L143 HydrophobicContact CG-CD1 3.85Å; L139-L143 HydrophobicContact CG-CG 4.37Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.09Å; S140-L143 PolarHBondContact O-N 2.92Å; L143-T146 WeakPolarHBondContact O-CG2 2.91Å; L143-F150 HydrophobicContact CD2-CD2 3.7Å; L143-F150 HydrophobicContact CD2-CE2 3.81Å; L143-L175 HydrophobicContact CD1-CD1 4.45Å; L143-L175 HydrophobicContact CD2-CD1 4.17Å; L143-L178 HydrophobicContact CD1-CD2 3.32Å; L143-I206 HydrophobicContact CD2-CD1 4.3Å; L143-I206 HydrophobicContact CD2-CG2 4.13Å; L143-L212 HydrophobicContact CB-CD2 3.84Å; L143-L212 HydrophobicContact CD1-CD1 3.93Å; L143-L212 HydrophobicContact CD1-CD2 4.11Å
144L86.1Confident86Confident68 Ų6830.5 Ų30.536%0.35616%0.155SC..Hα-helixtrans-87.7-26.1176.7-67174.3000112.7V134 S140 K209 L212 L553V134-L144 HydrophobicContact CG1-CD1 4.08Å; S140-L144 VanDerWaalsContact O-CB 3.27Å; S140-L144 WeakPolarHBondContact O-CB 3.43Å; S140-L144 WeakPolarHBondContact O-CG 3.38Å; S140-L144 PolarHBondContact O-N 2.9Å; L144-K209 HydrophobicContact CD2-CB 4.03Å; L144-L212 HydrophobicContact CD2-CD2 4.31Å; L144-L212 HydrophobicContact CG-CD2 4.2Å; L144-L553 HydrophobicContact CB-CD1 3.4Å; L144-L553 VanDerWaalsContact CB-CD1 3.4Å
145D81.2Confident85.4Confident16 Ų1628.8 Ų28.89%0.08615%0.145CC..SBendtrans-101.351.7172.7-172.270.9000111.5C141 D147 C148 L149 N538 L553 V554C141-D145 WeakPolarHBondContact O-CB 3.37Å; C141-D145 PolarHBondContact O-N 3.37Å; C141-D145 VanDerWaalsContact O-N 3.1Å; D145-D147 PolarHBondContact O-N 2.97Å; D145-C148 PolarHBondContact O-N 3.23Å; D145-C148 WeakPolarHBondContact OD2-CB 3.39Å; D145-L149 HydrophobicContact CB-CD1 4.13Å; D145-L149 HydrophobicContact CB-CG 4.34Å; D145-L149 PolarHBondContact O-N 3.29Å; D145-N538 PolarHBondContact OD1-ND2 2.99Å; D145-L553 HydrophobicContact CB-CB 4.06Å; D145-L553 HydrophobicContact CB-CD1 4.06Å; D145-V554 WeakPolarHBondContact OD2-CG2 3.01Å
146T73.2Confident83.8Confident39 Ų3934.8 Ų34.824%0.23918%0.177CC..Iπ-helixtrans-46.5-26.4-170.854.60000115.8L143 L199L143-T146 WeakPolarHBondContact O-CG2 2.91Å; T146-L199 HydrophobicContact CG2-CD1 3.34Å
147D71.5Confident82.4Confident120 Ų12040.5 Ų40.564%0.64221%0.207SC*.Iπ-helixtrans-80.3-39.5-172.9-59.5-23.4000114.2D145D145-D147 PolarHBondContact O-N 2.97Å
148C79.2Confident80.9Confident10 Ų1042.6 Ų42.67%0.06822%0.223CC..Iπ-helixtrans-104.6-46.6-176169.90000111.2D145 R152 C535D145-C148 PolarHBondContact O-N 3.23Å; D145-C148 WeakPolarHBondContact OD2-CB 3.39Å; C148-R152 WeakPolarHBondContact O-CB 3.16Å; C148-R152 WeakPolarHBondContact O-CD 3.45Å; C148-R152 WeakPolarHBondContact O-CG 3.45Å; C148-R152 PolarHBondContact O-NE 3.31Å; C148-C535 HydrophobicContact CB-CB 4.15Å; C148-C535 WeakPolarHBondContact CB-SG 3.35Å; C148-C535 WeakPolarHBondContact SG-CB 3.07Å; C148-C535 CovalentContact SG-SG 2.08Å; C148-C535 PolarHBondContact SG-SG 2.96Å
149L87.2Confident79.9Confident0 Ų047.5 Ų47.50%026%0.255CS..Iπ-helixtrans-82.2-49.1-172.1-67.1-179.2000113.7C141 I142 D145 E151 R152 I153 L529 V554 F557C141-L149 HydrophobicContact CB-CD1 4.22Å; I142-L149 HydrophobicContact CB-CB 4.25Å; I142-L149 HydrophobicContact CG1-CB 4.18Å; I142-L149 HydrophobicContact CG1-CD1 4.46Å; I142-L149 HydrophobicContact CG2-CB 4.19Å; D145-L149 HydrophobicContact CB-CD1 4.13Å; D145-L149 HydrophobicContact CB-CG 4.34Å; D145-L149 PolarHBondContact O-N 3.29Å; L149-E151 PolarHBondContact O-N 2.92Å; L149-R152 PolarHBondContact O-N 2.87Å; L149-I153 HydrophobicContact CB-CD1 4.37Å; L149-I153 HydrophobicContact CD2-CD1 4.36Å; L149-I153 WeakPolarHBondContact O-CB 3.32Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 3.48Å; L149-L529 HydrophobicContact CD2-CD2 3.71Å; L149-V554 HydrophobicContact CD1-CG2 4.32Å; L149-V554 HydrophobicContact CD2-CG2 4.4Å; L149-V554 HydrophobicContact CG-CG2 4.12Å; L149-F557 HydrophobicContact CD1-CB 4.06Å; L149-F557 HydrophobicContact CD1-CD2 4.23Å; L149-F557 HydrophobicContact CD1-CG 4.04Å; L149-F557 HydrophobicContact CD2-CD1 3.98Å; L149-F557 HydrophobicContact CD2-CE1 4.23Å; L149-F557 HydrophobicContact CD2-CG 4.29Å
150F86.8Confident79.6Confident5 Ų549.2 Ų49.22%0.02226%0.264CS..Iπ-helixtrans-60.3-49.5-174.3-177.1-94.1000111.7I142 L143 R152 I153 F154 L175 L199 I206I142-F150 HydrophobicContact CG2-CB 4.07Å; I142-F150 HydrophobicContact CG2-CD2 4.2Å; L143-F150 HydrophobicContact CD2-CD2 3.7Å; L143-F150 HydrophobicContact CD2-CE2 3.81Å; F150-R152 VanDerWaalsContact C-N 3.27Å; F150-R152 PolarHBondContact O-N 3.16Å; F150-I153 PolarHBondContact O-N 3.36Å; F150-F154 HydrophobicContact CD2-CB 4.5Å; F150-F154 AromaticContact CD2-CD2 3.82Å; F150-F154 HydrophobicContact CD2-CD2 3.82Å; F150-F154 HydrophobicContact CE2-CB 4.26Å; F150-F154 AromaticContact CE2-CD2 3.96Å; F150-F154 HydrophobicContact CE2-CD2 3.96Å; F150-F154 HydrophobicContact CZ-CB 4.44Å; F150-F154 PolarHBondContact O-N 2.95Å; F150-L175 HydrophobicContact CE2-CD2 4.38Å; F150-L199 HydrophobicContact CD1-CD2 3.7Å; F150-L199 HydrophobicContact CE1-CD2 3.86Å; F150-L199 HydrophobicContact CG-CD2 4.46Å; F150-I206 HydrophobicContact CE2-CD1 3.86Å; F150-I206 HydrophobicContact CE2-CG1 4.34Å; F150-I206 HydrophobicContact CZ-CD1 3.92Å; F150-I206 HydrophobicContact CZ-CG1 4.21Å
151E80.9Confident79.5Confident97 Ų9750.3 Ų50.345%0.45327%0.268SS..Hα-helixtrans-61.5-37.1-179.4-70.8-67.3124.900112.2L149 T155L149-E151 PolarHBondContact O-N 2.92Å; E151-T155 VanDerWaalsContact CA-CG2 3.45Å; E151-T155 HydrophobicContact CB-CG2 4.08Å; E151-T155 HydrophobicContact CG-CG2 4.29Å; E151-T155 WeakPolarHBondContact O-CB 3.33Å; E151-T155 VanDerWaalsContact O-CG2 3.23Å; E151-T155 WeakPolarHBondContact O-CG2 3.48Å; E151-T155 PolarHBondContact O-OG1 2.96Å; E151-T155 WeakPolarHBondContact OE2-CG2 3.3Å
152R85.1Confident79.6Confident94 Ų9450.4 Ų50.436%0.35527%0.268SS..Hα-helixtrans-73.1-34179.6-73177.2-172.8-81.5-4.6113.6C148 L149 F150 Y161 N532C148-R152 WeakPolarHBondContact O-CB 3.16Å; C148-R152 WeakPolarHBondContact O-CD 3.45Å; C148-R152 WeakPolarHBondContact O-CG 3.45Å; C148-R152 PolarHBondContact O-NE 3.31Å; L149-R152 PolarHBondContact O-N 2.87Å; F150-R152 VanDerWaalsContact C-N 3.27Å; F150-R152 PolarHBondContact O-N 3.16Å; R152-Y161 HydrophobicContact CB-CD2 4.45Å; R152-Y161 HydrophobicContact CB-CE2 4.44Å; R152-N532 PolarHBondContact NH2-ND2 3.13Å
153I88.5Confident79.8Confident12 Ų1254 Ų546%0.06229%0.285CS..Hα-helixtrans-96.9-34.1-168.9-67.7164.2000112.1I142 L149 F150 Y161 L171 F557I142-I153 HydrophobicContact CD1-CD1 3.77Å; I142-I153 HydrophobicContact CD1-CG2 4.12Å; I142-I153 HydrophobicContact CG1-CD1 3.68Å; L149-I153 HydrophobicContact CB-CD1 4.37Å; L149-I153 HydrophobicContact CD2-CD1 4.36Å; L149-I153 WeakPolarHBondContact O-CB 3.32Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 3.48Å; F150-I153 PolarHBondContact O-N 3.36Å; I153-Y161 HydrophobicContact CG1-CD1 4Å; I153-Y161 HydrophobicContact CG1-CD2 4.42Å; I153-Y161 HydrophobicContact CG1-CE1 4.49Å; I153-Y161 HydrophobicContact CG1-CG 3.96Å; I153-L171 HydrophobicContact CG2-CD1 4.37Å; I153-F557 HydrophobicContact CD1-CE1 4.16Å; I153-F557 HydrophobicContact CD1-CE2 4.03Å; I153-F557 HydrophobicContact CD1-CZ 3.51Å
154F86.7Confident80.1Confident13 Ų1353.6 Ų53.66%0.05728%0.283CS..Hα-helixtrans-119.8-6.9-169.3-69.3-55.5000116.4L139 I142 F150 L171 K172 L175 Y201L139-F154 HydrophobicContact CD1-CE2 4.05Å; L139-F154 HydrophobicContact CD1-CZ 4.15Å; I142-F154 HydrophobicContact CB-CE2 4.45Å; I142-F154 HydrophobicContact CD1-CE2 4.02Å; I142-F154 HydrophobicContact CD1-CZ 4.37Å; I142-F154 HydrophobicContact CG2-CD2 3.83Å; I142-F154 HydrophobicContact CG2-CE2 3.67Å; F150-F154 HydrophobicContact CD2-CB 4.5Å; F150-F154 AromaticContact CD2-CD2 3.82Å; F150-F154 HydrophobicContact CD2-CD2 3.82Å; F150-F154 HydrophobicContact CE2-CB 4.26Å; F150-F154 AromaticContact CE2-CD2 3.96Å; F150-F154 HydrophobicContact CE2-CD2 3.96Å; F150-F154 HydrophobicContact CZ-CB 4.44Å; F150-F154 PolarHBondContact O-N 2.95Å; F154-L171 HydrophobicContact CE1-CB 4.14Å; F154-L171 HydrophobicContact CZ-CB 4.05Å; F154-K172 HydrophobicContact CD1-CG 4.3Å; F154-K172 HydrophobicContact CE1-CG 4.1Å; F154-L175 HydrophobicContact CB-CD2 4.34Å; F154-L175 HydrophobicContact CD1-CD2 3.78Å; F154-L175 HydrophobicContact CD2-CD2 3.74Å; F154-L175 HydrophobicContact CE1-CB 4.3Å; F154-L175 HydrophobicContact CE1-CD2 3.9Å; F154-L175 HydrophobicContact CE2-CD2 3.85Å; F154-L175 HydrophobicContact CG-CD2 3.7Å; F154-L175 HydrophobicContact CZ-CB 4.06Å; F154-L175 HydrophobicContact CZ-CD2 3.93Å; F154-Y201 HydrophobicContact CB-CD2 4Å; F154-Y201 HydrophobicContact CB-CE2 3.9Å; F154-Y201 HydrophobicContact CD1-CE2 4.25Å; F154-Y201 HydrophobicContact CG-CE2 4.38Å; F154-Y201 WeakPolarHBondContact O-CE2 3.41Å
155T73.1Confident80.3Confident39 Ų3951.1 Ų51.124%0.23927%0.27CS..  trans-74.2148.6-173.659.10000114.4E151 N157 S158E151-T155 VanDerWaalsContact CA-CG2 3.45Å; E151-T155 HydrophobicContact CB-CG2 4.08Å; E151-T155 HydrophobicContact CG-CG2 4.29Å; E151-T155 WeakPolarHBondContact O-CB 3.33Å; E151-T155 VanDerWaalsContact O-CG2 3.23Å; E151-T155 WeakPolarHBondContact O-CG2 3.48Å; E151-T155 PolarHBondContact O-OG1 2.96Å; E151-T155 WeakPolarHBondContact OE2-CG2 3.3Å; T155-N157 PolarHBondContact O-N 3.48Å; T155-S158 PolarHBondContact O-N 3.15Å; T155-S158 VanDerWaalsContact O-N 3.09Å
156I56.5Low80.8Confident151 Ų15150.7 Ų50.777%0.77427%0.267SS*.THydrogen-bonded Turntrans-56.8-23.9-170.6-62.8169.5000113.6
157N56.6Low81.9Confident157 Ų15748.8 Ų48.884%0.8426%0.256SS*.THydrogen-bonded Turntrans-98.1-4.8-175.5-65.5-27.9000114T155T155-N157 PolarHBondContact O-N 3.48Å
158S59.5Low82.8Confident55 Ų5543.3 Ų43.339%0.38523%0.227SC..SBendtrans-96.1130.3177.8-169.70000110.1T155T155-S158 PolarHBondContact O-N 3.15Å; T155-S158 VanDerWaalsContact O-N 3.09Å
159P72.1Confident83.4Confident105 Ų10543.5 Ų43.568%0.68223%0.227SC*.  trans-54.6157.8157.827.2-33000109.1Y161P159-Y161 PolarHBondContact O-N 3.41Å
160D85.3Confident83.6Confident38 Ų3845.4 Ų45.420%0.20324%0.235CC..  trans-33.3122.1173.5-70.6-51.9000111.7F162 N168 K172 R348D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 CarbonylContact C-O 3.48Å; D160-F162 PolarHBondContact O-N 3.48Å; D160-N168 HydrophobicContact CB-CB 4.28Å; D160-K172 IonicContact OD1-NZ 2.71Å; D160-K172 PolarHBondContact OD1-NZ 3.45Å; D160-R348 IonicContact OD2-NH1 3.07Å; D160-R348 PolarHBondContact OD2-NH1 3.3Å
161Y90.5Very high83.9Confident26 Ų2645.2 Ų45.210%0.10223%0.234CC..SBendtrans-63.8-43.7-172.3175.4-98.8000111R152 I153 P159 N168 K525 I526R152-Y161 HydrophobicContact CB-CD2 4.45Å; R152-Y161 HydrophobicContact CB-CE2 4.44Å; I153-Y161 HydrophobicContact CG1-CD1 4Å; I153-Y161 HydrophobicContact CG1-CD2 4.42Å; I153-Y161 HydrophobicContact CG1-CE1 4.49Å; I153-Y161 HydrophobicContact CG1-CG 3.96Å; P159-Y161 PolarHBondContact O-N 3.41Å; Y161-N168 PolarHBondContact N-OD1 3.42Å; Y161-K525 WeakPolarHBondContact O-CD 3.49Å; Y161-K525 WeakPolarHBondContact O-CE 3.22Å; Y161-K525 PolarHBondContact O-NZ 3.24Å; Y161-I526 HydrophobicContact CE1-CD1 4.22Å
162F93.8Very high84.4Confident2 Ų243.1 Ų43.11%0.00922%0.224CC..SBendtrans-86.8150.7171.4-60.8-77.3000110.4D160 S164 I167 N168 L171 D522 I526 F557 F561 F565D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 CarbonylContact C-O 3.48Å; D160-F162 PolarHBondContact O-N 3.48Å; F162-S164 VanDerWaalsContact C-N 3.35Å; F162-I167 HydrophobicContact CB-CB 4.41Å; F162-I167 HydrophobicContact CB-CG2 4.47Å; F162-I167 HydrophobicContact CD2-CB 4.28Å; F162-I167 HydrophobicContact CD2-CG2 3.49Å; F162-I167 VanDerWaalsContact CD2-CG2 3.49Å; F162-I167 HydrophobicContact CE2-CG2 3.77Å; F162-I167 HydrophobicContact CG-CB 4.41Å; F162-I167 HydrophobicContact CG-CG2 3.95Å; F162-I167 HydrophobicContact CZ-CG2 4.43Å; F162-N168 PolarHBondContact N-OD1 2.88Å; F162-N168 PolarHBondContact O-ND2 3.07Å; F162-L171 HydrophobicContact CD2-CD1 4.28Å; F162-L171 HydrophobicContact CE2-CD1 3.75Å; F162-D522 VanDerWaalsContact CA-OD1 3.28Å; F162-D522 WeakPolarHBondContact CA-OD1 3.3Å; F162-D522 HydrophobicContact CD1-CB 4.07Å; F162-I526 HydrophobicContact CE1-CD1 3.87Å; F162-I526 HydrophobicContact CE1-CG1 4.09Å; F162-I526 HydrophobicContact CZ-CD1 4.12Å; F162-F557 HydrophobicContact CZ-CZ 4.16Å; F162-F561 HydrophobicContact CE1-CD1 4.23Å; F162-F561 HydrophobicContact CE1-CE1 4.34Å; F162-F561 HydrophobicContact CE2-CE1 4.23Å; F162-F561 HydrophobicContact CE2-CZ 4.2Å; F162-F561 HydrophobicContact CZ-CD1 4.01Å; F162-F561 HydrophobicContact CZ-CD2 4.47Å; F162-F561 AromaticContact CZ-CE1 3.8Å; F162-F561 HydrophobicContact CZ-CE1 3.8Å; F162-F561 HydrophobicContact CZ-CE2 4.28Å; F162-F561 HydrophobicContact CZ-CG 4.34Å; F162-F561 AromaticContact CZ-CZ 3.94Å; F162-F561 HydrophobicContact CZ-CZ 3.94Å; F162-F565 HydrophobicContact CD1-CZ 4.03Å; F162-F565 HydrophobicContact CE1-CE2 4.46Å; F162-F565 AromaticContact CE1-CZ 3.81Å; F162-F565 HydrophobicContact CE1-CZ 3.81Å
163H93.6Very high84.6Confident77 Ų7743.3 Ų43.336%0.35623%0.225SC..SBendtrans-76.3-28.2166.5-63.499.4000111.1N165 Q518 D521 D522 K525H163-N165 PolarHBondContact O-N 2.79Å; H163-N165 VanDerWaalsContact O-N 3.1Å; H163-N165 PolarHBondContact O-OD1 3.43Å; H163-Q518 HydrophobicContact CB-CB 4.01Å; H163-Q518 HydrophobicContact CB-CG 3.98Å; H163-Q518 PolarHBondContact O-NE2 2.92Å; H163-Q518 VanDerWaalsContact O-NE2 3.17Å; H163-D521 VanDerWaalsContact CE1-CB 3.4Å; H163-D521 WeakPolarHBondContact CE1-CB 3.23Å; H163-D521 IonicContact CE1-OD2 2.84Å; H163-D521 VanDerWaalsContact ND1-CB 3.27Å; H163-D521 WeakPolarHBondContact ND1-CB 3.49Å; H163-D522 IonicContact CG-OD1 2.62Å; H163-D522 PolarHBondContact N-OD1 3.3Å; H163-D522 PolarHBondContact N-OD2 2.95Å; H163-D522 IonicContact ND1-OD1 3.2Å; H163-D522 PolarHBondContact ND1-OD1 3.2Å; H163-K525 WeakPolarHBondContact CE1-CE 3.3Å; H163-K525 PolarHBondContact CE1-NZ 2.96Å; H163-K525 PolarHBondContact ND1-NZ 2.99Å; H163-K525 VanDerWaalsContact ND1-NZ 3.15Å; H163-K525 PolarHBondContact NE2-NZ 3.18Å
164S94.4Very high84.8Confident1 Ų142.9 Ų42.91%0.00722%0.222CC..  trans-67.9102.8172.1-54.80000110.8F162 D166 I167 N168 D522F162-S164 VanDerWaalsContact C-N 3.35Å; S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 PolarHBondContact O-N 3.06Å; S164-I167 PolarHBondContact O-N 3.46Å; S164-N168 PolarHBondContact O-N 3.21Å; S164-N168 PolarHBondContact O-ND2 3.15Å; S164-D522 VanDerWaalsContact CB-OD2 3.28Å; S164-D522 WeakPolarHBondContact CB-OD2 3.27Å; S164-D522 PolarHBondContact N-OD2 3.21Å; S164-D522 PolarHBondContact OG-OD2 3.14Å
165N91.3Very high85.1Confident16 Ų1642.3 Ų42.39%0.08622%0.22CC..Hα-helixtrans-55.1-44.5-176.7-67.370.7000113H163 I167 N168 I169 S346 D439H163-N165 PolarHBondContact O-N 2.79Å; H163-N165 VanDerWaalsContact O-N 3.1Å; H163-N165 PolarHBondContact O-OD1 3.43Å; N165-I167 VanDerWaalsContact C-N 3.27Å; N165-I167 PolarHBondContact O-N 3.39Å; N165-N168 PolarHBondContact O-N 2.9Å; N165-N168 VanDerWaalsContact O-N 3.17Å; N165-I169 HydrophobicContact CB-CD1 4.39Å; N165-I169 WeakPolarHBondContact O-CB 3.38Å; N165-I169 VanDerWaalsContact O-CG1 3.24Å; N165-I169 WeakPolarHBondContact O-CG1 3.46Å; N165-I169 PolarHBondContact O-N 3.42Å; N165-S346 WeakPolarHBondContact CB-OG 3.38Å; N165-D439 PolarHBondContact ND2-OD2 3.34Å
166D92.2Very high85.9Confident7 Ų741.2 Ų41.24%0.03721%0.213CC..Hα-helixtrans-60.5-35.1-17863.5-40.2000112.9S164 K170 L322 T441 R568S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 PolarHBondContact O-N 3.06Å; D166-K170 VanDerWaalsContact O-CB 3.28Å; D166-K170 WeakPolarHBondContact O-CB 3.35Å; D166-K170 PolarHBondContact O-N 3.03Å; D166-L322 HydrophobicContact CB-CD2 4.43Å; D166-T441 HydrophobicContact CB-CG2 4.38Å; D166-R568 IonicContact OD1-CZ 3.15Å; D166-R568 IonicContact OD1-NH1 2.71Å; D166-R568 PolarHBondContact OD1-NH1 3.42Å; D166-R568 IonicContact OD1-NH2 3.34Å; D166-R568 PolarHBondContact OD1-NH2 2.99Å; D166-R568 IonicContact OD2-CZ 3.81Å; D166-R568 VanDerWaalsContact OD2-CZ 3.27Å; D166-R568 IonicContact OD2-NH1 3.98Å; D166-R568 PolarHBondContact OD2-NH1 3.46Å; D166-R568 IonicContact OD2-NH2 3.31Å; D166-R568 PolarHBondContact OD2-NH2 3.05Å
167I94.6Very high87.6Confident0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-65-49.4174.9-56.5-176.4000110.5F162 S164 N165 I169 K170 L171 L322 F561 Y564 F565F162-I167 HydrophobicContact CB-CB 4.41Å; F162-I167 HydrophobicContact CB-CG2 4.47Å; F162-I167 HydrophobicContact CD2-CB 4.28Å; F162-I167 HydrophobicContact CD2-CG2 3.49Å; F162-I167 VanDerWaalsContact CD2-CG2 3.49Å; F162-I167 HydrophobicContact CE2-CG2 3.77Å; F162-I167 HydrophobicContact CG-CB 4.41Å; F162-I167 HydrophobicContact CG-CG2 3.95Å; F162-I167 HydrophobicContact CZ-CG2 4.43Å; S164-I167 PolarHBondContact O-N 3.46Å; N165-I167 VanDerWaalsContact C-N 3.27Å; N165-I167 PolarHBondContact O-N 3.39Å; I167-I169 PolarHBondContact O-N 3.01Å; I167-K170 PolarHBondContact O-N 3.34Å; I167-L171 HydrophobicContact CG2-CD1 4.17Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 2.85Å; I167-L322 HydrophobicContact CG1-CD1 4.17Å; I167-F561 HydrophobicContact CG2-CE1 3.86Å; I167-F561 HydrophobicContact CG2-CZ 4.34Å; I167-Y564 HydrophobicContact CD1-CE1 3.86Å; I167-Y564 HydrophobicContact CG1-CE1 4.45Å; I167-F565 HydrophobicContact CD1-CE1 3.66Å; I167-F565 HydrophobicContact CD1-CZ 4.35Å
168N92.3Very high89.3Confident5 Ų530.6 Ų30.63%0.02715%0.152CC..Hα-helixtrans-61.3-45.6178.6-63.1-72.3000111.5D160 Y161 F162 S164 N165 K170 L171 K172D160-N168 HydrophobicContact CB-CB 4.28Å; Y161-N168 PolarHBondContact N-OD1 3.42Å; F162-N168 PolarHBondContact N-OD1 2.88Å; F162-N168 PolarHBondContact O-ND2 3.07Å; S164-N168 PolarHBondContact O-N 3.21Å; S164-N168 PolarHBondContact O-ND2 3.15Å; N165-N168 PolarHBondContact O-N 2.9Å; N165-N168 VanDerWaalsContact O-N 3.17Å; N168-K170 VanDerWaalsContact C-N 3.35Å; N168-K170 PolarHBondContact O-N 3.28Å; N168-L171 PolarHBondContact O-N 3.34Å; N168-K172 WeakPolarHBondContact O-CB 3.46Å; N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.32Å; N168-K172 PolarHBondContact O-N 3.06Å
169I90.6Very high90.9Very high14 Ų1428.2 Ų28.27%0.07213%0.134CC..Hα-helixtrans-60.5-45.4178.7-67.1167.3000110N165 I167 K172 R173 D439 T441N165-I169 HydrophobicContact CB-CD1 4.39Å; N165-I169 WeakPolarHBondContact O-CB 3.38Å; N165-I169 VanDerWaalsContact O-CG1 3.24Å; N165-I169 WeakPolarHBondContact O-CG1 3.46Å; N165-I169 PolarHBondContact O-N 3.42Å; I167-I169 PolarHBondContact O-N 3.01Å; I169-K172 PolarHBondContact O-N 2.81Å; I169-R173 HydrophobicContact CG2-CG 4.35Å; I169-R173 VanDerWaalsContact O-CB 3.29Å; I169-R173 WeakPolarHBondContact O-CB 3.25Å; I169-R173 VanDerWaalsContact O-CG 3.27Å; I169-R173 WeakPolarHBondContact O-CG 3.32Å; I169-R173 PolarHBondContact O-N 3.11Å; I169-D439 HydrophobicContact CD1-CB 4.24Å; I169-D439 VanDerWaalsContact CD1-O 3.22Å; I169-D439 WeakPolarHBondContact CD1-O 3.12Å; I169-D439 WeakPolarHBondContact CG1-O 3.5Å; I169-T441 HydrophobicContact CD1-CG2 3.78Å; I169-T441 HydrophobicContact CG2-CG2 4.42Å
170K92.1Very high91.7Very high39 Ų3927.6 Ų27.617%0.1712%0.118CC..Hα-helixtrans-60.9-48178.3-172.778.6-179.5-168.90111.4D166 I167 N168 R173 L174 L322 T323 T326 E327D166-K170 VanDerWaalsContact O-CB 3.28Å; D166-K170 WeakPolarHBondContact O-CB 3.35Å; D166-K170 PolarHBondContact O-N 3.03Å; I167-K170 PolarHBondContact O-N 3.34Å; N168-K170 VanDerWaalsContact C-N 3.35Å; N168-K170 PolarHBondContact O-N 3.28Å; K170-R173 PolarHBondContact O-N 3.41Å; K170-L174 HydrophobicContact CG-CD1 4.21Å; K170-L174 WeakPolarHBondContact O-CG 3.42Å; K170-L174 PolarHBondContact O-N 2.72Å; K170-L322 HydrophobicContact CB-CD2 4.04Å; K170-L322 HydrophobicContact CB-CG 4.32Å; K170-L322 HydrophobicContact CG-CD2 4.32Å; K170-L322 HydrophobicContact CG-CG 4.12Å; K170-T323 PolarHBondContact NZ-OG1 3.45Å; K170-T323 VanDerWaalsContact NZ-OG1 3.15Å; K170-T326 WeakPolarHBondContact CE-OG1 3.46Å; K170-T326 HydrophobicContact CG-CG2 4.15Å; K170-E327 WeakPolarHBondContact CE-OE1 3.38Å; K170-E327 IonicContact NZ-OE1 2.84Å; K170-E327 PolarHBondContact NZ-OE1 3.32Å
171L93Very high92Very high1 Ų126.1 Ų26.11%0.00511%0.111CC..Hα-helixtrans-63.7-44.7179.5-70175.9000112.4P138 I142 I153 F154 F162 I167 N168 L174 L175 T326 F561P138-L171 HydrophobicContact CB-CD2 3.87Å; I142-L171 HydrophobicContact CD1-CD1 4.5Å; I142-L171 HydrophobicContact CD1-CD2 4.42Å; I153-L171 HydrophobicContact CG2-CD1 4.37Å; F154-L171 HydrophobicContact CE1-CB 4.14Å; F154-L171 HydrophobicContact CZ-CB 4.05Å; F162-L171 HydrophobicContact CD2-CD1 4.28Å; F162-L171 HydrophobicContact CE2-CD1 3.75Å; I167-L171 HydrophobicContact CG2-CD1 4.17Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 2.85Å; N168-L171 PolarHBondContact O-N 3.34Å; L171-L174 PolarHBondContact O-N 3.16Å; L171-L175 PolarHBondContact O-N 3.24Å; L171-T326 HydrophobicContact CD2-CG2 4.2Å; L171-F561 HydrophobicContact CD1-CZ 4.36Å
172K90.7Very high92Very high54 Ų5425.3 Ų25.324%0.23511%0.108CC..Hα-helixtrans-63-41.9176.5-72.4173176.5179.10111.9F154 D160 N168 I169 L175 T176F154-K172 HydrophobicContact CD1-CG 4.3Å; F154-K172 HydrophobicContact CE1-CG 4.1Å; D160-K172 IonicContact OD1-NZ 2.71Å; D160-K172 PolarHBondContact OD1-NZ 3.45Å; N168-K172 WeakPolarHBondContact O-CB 3.46Å; N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.32Å; N168-K172 PolarHBondContact O-N 3.06Å; I169-K172 PolarHBondContact O-N 2.81Å; K172-L175 PolarHBondContact O-N 2.8Å; K172-T176 WeakPolarHBondContact O-CB 3.38Å; K172-T176 PolarHBondContact O-N 2.99Å; K172-T176 PolarHBondContact O-OG1 3.29Å
173R89.8Confident91.7Very high98 Ų9827.9 Ų27.937%0.3712%0.122SC..Hα-helixtrans-62.5-42.2175.5-78.9179.8174.8172.6-1.3112I169 K170 T176 R177 T441I169-R173 HydrophobicContact CG2-CG 4.35Å; I169-R173 VanDerWaalsContact O-CB 3.29Å; I169-R173 WeakPolarHBondContact O-CB 3.25Å; I169-R173 VanDerWaalsContact O-CG 3.27Å; I169-R173 WeakPolarHBondContact O-CG 3.32Å; I169-R173 PolarHBondContact O-N 3.11Å; K170-R173 PolarHBondContact O-N 3.41Å; R173-T176 PolarHBondContact O-N 3.31Å; R173-R177 WeakPolarHBondContact O-CB 3.45Å; R173-R177 WeakPolarHBondContact O-CG 3.19Å; R173-R177 PolarHBondContact O-N 2.92Å; R173-T441 PolarHBondContact NH1-OG1 2.88Å; R173-T441 PolarHBondContact NH2-O 2.84Å
174L92.5Very high91.2Very high3 Ų327.2 Ų27.22%0.01613%0.125CC..Hα-helixtrans-66-43.8177.3-71.9167.6000112L139 K170 L171 T176 R177 L178 W215 T326 E327L139-L174 HydrophobicContact CD2-CB 3.98Å; K170-L174 HydrophobicContact CG-CD1 4.21Å; K170-L174 WeakPolarHBondContact O-CG 3.42Å; K170-L174 PolarHBondContact O-N 2.72Å; L171-L174 PolarHBondContact O-N 3.16Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-T176 PolarHBondContact O-N 3.03Å; L174-R177 PolarHBondContact O-N 3.46Å; L174-L178 PolarHBondContact O-N 3.26Å; L174-W215 HydrophobicContact CD2-CH2 3.96Å; L174-T326 VanDerWaalsContact CD1-CB 3.42Å; L174-T326 HydrophobicContact CD1-CG2 4.34Å; L174-E327 HydrophobicContact CD2-CG 3.98Å
175L92.2Very high90.9Very high0 Ų027.2 Ų27.20%013%0.125CC..Hα-helixtrans-58.6-45.7173.7178.459000111.1L139 L143 F150 F154 L171 K172 R177 L178 L179 Y201 I206L139-L175 HydrophobicContact CD1-CB 4.1Å; L139-L175 HydrophobicContact CD1-CD1 4.28Å; L143-L175 HydrophobicContact CD1-CD1 4.45Å; L143-L175 HydrophobicContact CD2-CD1 4.17Å; F150-L175 HydrophobicContact CE2-CD2 4.38Å; F154-L175 HydrophobicContact CB-CD2 4.34Å; F154-L175 HydrophobicContact CD1-CD2 3.78Å; F154-L175 HydrophobicContact CD2-CD2 3.74Å; F154-L175 HydrophobicContact CE1-CB 4.3Å; F154-L175 HydrophobicContact CE1-CD2 3.9Å; F154-L175 HydrophobicContact CE2-CD2 3.85Å; F154-L175 HydrophobicContact CG-CD2 3.7Å; F154-L175 HydrophobicContact CZ-CB 4.06Å; F154-L175 HydrophobicContact CZ-CD2 3.93Å; L171-L175 PolarHBondContact O-N 3.24Å; K172-L175 PolarHBondContact O-N 2.8Å; L175-R177 PolarHBondContact O-N 3.24Å; L175-L178 WeakPolarHBondContact O-CB 3.25Å; L175-L178 PolarHBondContact O-N 2.87Å; L175-L179 HydrophobicContact CD1-CD1 3.92Å; L175-L179 HydrophobicContact CD1-CG 4.06Å; L175-L179 HydrophobicContact CG-CD1 3.85Å; L175-L179 HydrophobicContact CG-CG 4.4Å; L175-L179 VanDerWaalsContact O-CG 3.25Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.35Å; L175-Y201 HydrophobicContact CD2-CD1 3.72Å; L175-Y201 HydrophobicContact CD2-CD2 3.69Å; L175-Y201 HydrophobicContact CD2-CE1 3.93Å; L175-Y201 HydrophobicContact CD2-CE2 3.91Å; L175-Y201 HydrophobicContact CD2-CG 3.58Å; L175-Y201 HydrophobicContact CG-CD1 4.14Å; L175-Y201 HydrophobicContact CG-CE1 4.41Å; L175-Y201 HydrophobicContact CG-CG 4.37Å; L175-I206 HydrophobicContact CD1-CD1 4.34Å
176T90.1Very high90.6Very high16 Ų1629 Ų2910%0.09813%0.132CC..Hα-helixtrans-62.9-43.2178.2-59.20000111.9K172 R173 L174 L178 L179 R180K172-T176 WeakPolarHBondContact O-CB 3.38Å; K172-T176 PolarHBondContact O-N 2.99Å; K172-T176 PolarHBondContact O-OG1 3.29Å; R173-T176 PolarHBondContact O-N 3.31Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-T176 PolarHBondContact O-N 3.03Å; T176-L178 PolarHBondContact O-N 2.89Å; T176-L179 PolarHBondContact O-N 3.22Å; T176-R180 HydrophobicContact CG2-CG 4.45Å; T176-R180 WeakPolarHBondContact O-CB 3.37Å; T176-R180 WeakPolarHBondContact O-CG 3.47Å; T176-R180 PolarHBondContact O-N 3.29Å
177R91.9Very high90.1Very high86 Ų8632.6 Ų32.633%0.32516%0.156SC..Hα-helixtrans-57.8-46.4173.5-76.6169.862.2-164.5-5.9111.6R173 L174 L175 S181 W215 N219 E327R173-R177 WeakPolarHBondContact O-CB 3.45Å; R173-R177 WeakPolarHBondContact O-CG 3.19Å; R173-R177 PolarHBondContact O-N 2.92Å; L174-R177 PolarHBondContact O-N 3.46Å; L175-R177 PolarHBondContact O-N 3.24Å; R177-S181 PolarHBondContact O-N 3.39Å; R177-S181 PolarHBondContact O-OG 3.21Å; R177-W215 HydrophobicContact CB-CZ2 4.11Å; R177-N219 PolarHBondContact NH2-OD1 2.95Å; R177-E327 IonicContact CZ-OE2 2.96Å; R177-E327 IonicContact NH1-OE1 3.17Å; R177-E327 IonicContact NH1-OE2 2.76Å; R177-E327 PolarHBondContact NH1-OE2 2.71Å; R177-E327 VanDerWaalsContact NH1-OE2 3.12Å; R177-E327 IonicContact NH2-OE2 3.16Å
178L93.9Very high89.4Confident0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-59.3-48.7176.3173.371.4000111.5L139 L143 L174 L175 T176 S181 W182 P207 F211 L212 W215L139-L178 HydrophobicContact CD2-CB 4.46Å; L139-L178 HydrophobicContact CD2-CD2 4.22Å; L143-L178 HydrophobicContact CD1-CD2 3.32Å; L174-L178 PolarHBondContact O-N 3.26Å; L175-L178 WeakPolarHBondContact O-CB 3.25Å; L175-L178 PolarHBondContact O-N 2.87Å; T176-L178 PolarHBondContact O-N 2.89Å; L178-S181 WeakPolarHBondContact O-CB 3.44Å; L178-S181 PolarHBondContact O-N 3.21Å; L178-W182 PolarHBondContact O-N 2.73Å; L178-P207 HydrophobicContact CD1-CG 4.15Å; L178-P207 HydrophobicContact CD2-CG 3.97Å; L178-P207 HydrophobicContact CG-CG 3.98Å; L178-F211 HydrophobicContact CD1-CD1 4.07Å; L178-F211 HydrophobicContact CD1-CE1 3.85Å; L178-L212 HydrophobicContact CD1-CD1 4.21Å; L178-L212 HydrophobicContact CD2-CD1 3.89Å; L178-W215 HydrophobicContact CB-CD2 4.43Å; L178-W215 HydrophobicContact CD1-CB 3.66Å; L178-W215 HydrophobicContact CD1-CD2 3.79Å; L178-W215 HydrophobicContact CD1-CE3 4.41Å; L178-W215 HydrophobicContact CD1-CG 3.4Å
179L91.8Very high88.8Confident4 Ų434.6 Ų34.62%0.02117%0.165CC..Hα-helixtrans-66.5-39.9-177.8-66.3170.8000112.3L175 T176 W182 N183 Y201 D205 I206L175-L179 HydrophobicContact CD1-CD1 3.92Å; L175-L179 HydrophobicContact CD1-CG 4.06Å; L175-L179 HydrophobicContact CG-CD1 3.85Å; L175-L179 HydrophobicContact CG-CG 4.4Å; L175-L179 VanDerWaalsContact O-CG 3.25Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.35Å; T176-L179 PolarHBondContact O-N 3.22Å; L179-W182 PolarHBondContact O-N 3.02Å; L179-N183 WeakPolarHBondContact O-CB 3.5Å; L179-N183 VanDerWaalsContact O-CG 3.23Å; L179-N183 PolarHBondContact O-N 3.04Å; L179-N183 PolarHBondContact O-ND2 2.89Å; L179-Y201 HydrophobicContact CD1-CD1 3.61Å; L179-Y201 HydrophobicContact CD1-CG 4.15Å; L179-D205 WeakPolarHBondContact CD2-O 3.45Å; L179-I206 HydrophobicContact CD2-CD1 3.9Å
180R89.4Confident87.4Confident92 Ų9237.6 Ų37.635%0.34718%0.184SC..Hα-helixtrans-59.1-48.8171.8-74.8177.31791683.8111.6T176 W182 N183 C184 D434T176-R180 HydrophobicContact CG2-CG 4.45Å; T176-R180 WeakPolarHBondContact O-CB 3.37Å; T176-R180 WeakPolarHBondContact O-CG 3.47Å; T176-R180 PolarHBondContact O-N 3.29Å; R180-W182 VanDerWaalsContact C-N 3.27Å; R180-W182 PolarHBondContact O-N 2.68Å; R180-N183 PolarHBondContact O-N 3.26Å; R180-C184 PolarHBondContact O-N 3.25Å; R180-C184 PolarHBondContact O-SG 2.7Å; R180-C184 VanDerWaalsContact O-SG 3.35Å; R180-D434 IonicContact CZ-OD2 3.87Å; R180-D434 IonicContact NE-OD2 3.76Å; R180-D434 PolarHBondContact NE-OD2 3.47Å; R180-D434 VanDerWaalsContact NH2-CB 3.27Å; R180-D434 IonicContact NH2-OD2 4Å; R180-D434 PolarHBondContact NH2-OD2 3.4Å
181S90.8Very high85.6Confident8 Ų843.4 Ų43.46%0.05622%0.217CC..Hα-helixtrans-57.1-44.6177.1-490000110.5D101 R177 L178 C184 I185 W215D101-S181 VanDerWaalsContact OD1-CB 3.3Å; D101-S181 WeakPolarHBondContact OD1-CB 3.42Å; D101-S181 PolarHBondContact OD1-OG 3.32Å; R177-S181 PolarHBondContact O-N 3.39Å; R177-S181 PolarHBondContact O-OG 3.21Å; L178-S181 WeakPolarHBondContact O-CB 3.44Å; L178-S181 PolarHBondContact O-N 3.21Å; S181-C184 PolarHBondContact O-N 2.89Å; S181-I185 WeakPolarHBondContact O-CB 3.14Å; S181-I185 WeakPolarHBondContact O-CD1 3.22Å; S181-I185 VanDerWaalsContact O-CG1 3.22Å; S181-I185 WeakPolarHBondContact O-CG1 3.11Å; S181-I185 PolarHBondContact O-N 2.85Å; S181-W215 PolarHBondContact OG-NE1 2.88Å
182W91Very high83.7Confident9 Ų947.2 Ų47.23%0.03424%0.238CC..Hα-helixtrans-62.6-46.3177177.2-129.1000112.3Y108 L178 L179 R180 C184 I185 K186 P207 P208 F211Y108-W182 HydrophobicContact CE1-CZ3 4.41Å; L178-W182 PolarHBondContact O-N 2.73Å; L179-W182 PolarHBondContact O-N 3.02Å; R180-W182 VanDerWaalsContact C-N 3.27Å; R180-W182 PolarHBondContact O-N 2.68Å; W182-C184 VanDerWaalsContact C-N 3.29Å; W182-C184 PolarHBondContact O-N 3.33Å; W182-I185 PolarHBondContact O-N 2.95Å; W182-K186 HydrophobicContact CD2-CB 3.96Å; W182-K186 HydrophobicContact CE3-CB 4.05Å; W182-K186 HydrophobicContact CH2-CB 4.05Å; W182-K186 HydrophobicContact CH2-CG 4.07Å; W182-K186 HydrophobicContact CZ2-CB 3.96Å; W182-K186 HydrophobicContact CZ2-CD 3.79Å; W182-K186 HydrophobicContact CZ2-CG 3.75Å; W182-K186 HydrophobicContact CZ3-CB 4.1Å; W182-K186 WeakPolarHBondContact O-CA 3.47Å; W182-K186 WeakPolarHBondContact O-CB 3.41Å; W182-K186 PolarHBondContact O-N 3.39Å; W182-P207 HydrophobicContact CB-CB 4.08Å; W182-P207 HydrophobicContact CB-CG 4.42Å; W182-P207 HydrophobicContact CD2-CB 3.75Å; W182-P207 HydrophobicContact CE3-CB 4.22Å; W182-P207 HydrophobicContact CG-CB 3.67Å; W182-P207 HydrophobicContact CG-CG 4.4Å; W182-P208 HydrophobicContact CH2-CG 3.99Å; W182-P208 HydrophobicContact CZ2-CG 4.38Å; W182-P208 HydrophobicContact CZ3-CG 4.41Å; W182-F211 VanDerWaalsContact CA-CZ 3.49Å; W182-F211 HydrophobicContact CB-CD1 4.25Å; W182-F211 HydrophobicContact CB-CE1 3.69Å; W182-F211 HydrophobicContact CB-CZ 3.98Å; W182-F211 HydrophobicContact CD2-CD1 4.49Å; W182-F211 HydrophobicContact CD2-CG 4.48Å; W182-F211 HydrophobicContact CE3-CB 4.28Å; W182-F211 AromaticContact CE3-CD1 4Å; W182-F211 HydrophobicContact CE3-CD1 4Å; W182-F211 AromaticContact CE3-CD2 3.46Å; W182-F211 HydrophobicContact CE3-CD2 3.46Å; W182-F211 VanDerWaalsContact CE3-CD2 3.46Å; W182-F211 HydrophobicContact CE3-CE1 4.2Å; W182-F211 AromaticContact CE3-CE2 3.69Å; W182-F211 HydrophobicContact CE3-CE2 3.69Å; W182-F211 AromaticContact CE3-CG 3.62Å; W182-F211 HydrophobicContact CE3-CG 3.62Å; W182-F211 HydrophobicContact CE3-CZ 4.05Å; W182-F211 HydrophobicContact CG-CE1 4.48Å; W182-F211 HydrophobicContact CZ3-CB 4.28Å; W182-F211 AromaticContact CZ3-CD2 3.75Å; W182-F211 HydrophobicContact CZ3-CD2 3.75Å; W182-F211 HydrophobicContact CZ3-CE2 4.3Å; W182-F211 HydrophobicContact CZ3-CG 4.02Å
183N86.7Confident81.8Confident55 Ų5552 Ų5229%0.29427%0.266SS..Hα-helixtrans-60.5-38.8178.3-71.9-31000112.5L179 R180 P187 Y204L179-N183 WeakPolarHBondContact O-CB 3.5Å; L179-N183 VanDerWaalsContact O-CG 3.23Å; L179-N183 PolarHBondContact O-N 3.04Å; L179-N183 PolarHBondContact O-ND2 2.89Å; R180-N183 PolarHBondContact O-N 3.26Å; N183-P187 WeakPolarHBondContact O-CD 3.2Å; N183-Y204 WeakPolarHBondContact ND2-CD1 3.46Å; N183-Y204 WeakPolarHBondContact ND2-CE1 3.25Å
184C84.7Confident80.2Confident64 Ų6452.4 Ų52.443%0.43228%0.275SS..Hα-helixtrans-69.3-40.4176.5-68.60000112.4L97 R180 S181 W182L97-C184 HydrophobicContact CD2-CB 3.72Å; R180-C184 PolarHBondContact O-N 3.25Å; R180-C184 PolarHBondContact O-SG 2.7Å; R180-C184 VanDerWaalsContact O-SG 3.35Å; S181-C184 PolarHBondContact O-N 2.89Å; W182-C184 VanDerWaalsContact C-N 3.29Å; W182-C184 PolarHBondContact O-N 3.33Å
185I87.1Confident78.6Confident0 Ų053.7 Ų53.70%028%0.284CS..Hα-helixtrans-87.5-36.6-171.9-66.3168.9000112.6L97 D101 I104 A105 S181 W182 P187 I188 F189 F211L97-I185 HydrophobicContact CD1-CG1 3.8Å; L97-I185 HydrophobicContact CD2-CG1 4.13Å; D101-I185 HydrophobicContact CB-CD1 3.96Å; D101-I185 HydrophobicContact CB-CG1 4.21Å; D101-I185 VanDerWaalsContact O-CD1 3.29Å; D101-I185 WeakPolarHBondContact O-CD1 3.27Å; I104-I185 HydrophobicContact CB-CD1 3.87Å; I104-I185 HydrophobicContact CG2-CD1 3.7Å; A105-I185 HydrophobicContact CB-CD1 4.28Å; A105-I185 HydrophobicContact CB-CG1 4.33Å; A105-I185 HydrophobicContact CB-CG2 3.97Å; S181-I185 WeakPolarHBondContact O-CB 3.14Å; S181-I185 WeakPolarHBondContact O-CD1 3.22Å; S181-I185 VanDerWaalsContact O-CG1 3.22Å; S181-I185 WeakPolarHBondContact O-CG1 3.11Å; S181-I185 PolarHBondContact O-N 2.85Å; W182-I185 PolarHBondContact O-N 2.95Å; I185-P187 VanDerWaalsContact C-CD 3.43Å; I185-I188 VanDerWaalsContact O-CB 3.3Å; I185-I188 WeakPolarHBondContact O-CB 3.47Å; I185-I188 WeakPolarHBondContact O-CG1 3.17Å; I185-I188 PolarHBondContact O-N 2.68Å; I185-F189 HydrophobicContact CG2-CD2 3.76Å; I185-F189 HydrophobicContact CG2-CE2 3.49Å; I185-F189 VanDerWaalsContact CG2-CE2 3.49Å; I185-F211 HydrophobicContact CB-CE2 3.95Å; I185-F211 HydrophobicContact CB-CZ 4.49Å; I185-F211 HydrophobicContact CD1-CE2 3.69Å; I185-F211 HydrophobicContact CD1-CZ 3.88Å; I185-F211 HydrophobicContact CG1-CE2 4.41Å; I185-F211 HydrophobicContact CG2-CE2 3.94Å
186K85.1Confident76.9Confident54 Ų5456 Ų5624%0.23530%0.298CS..Hα-helixtrans-45.7-49.8-177175-178.3-177.3179.60112.5W182 I188 F189 T190 C195 D205W182-K186 HydrophobicContact CD2-CB 3.96Å; W182-K186 HydrophobicContact CE3-CB 4.05Å; W182-K186 HydrophobicContact CH2-CB 4.05Å; W182-K186 HydrophobicContact CH2-CG 4.07Å; W182-K186 HydrophobicContact CZ2-CB 3.96Å; W182-K186 HydrophobicContact CZ2-CD 3.79Å; W182-K186 HydrophobicContact CZ2-CG 3.75Å; W182-K186 HydrophobicContact CZ3-CB 4.1Å; W182-K186 WeakPolarHBondContact O-CA 3.47Å; W182-K186 WeakPolarHBondContact O-CB 3.41Å; W182-K186 PolarHBondContact O-N 3.39Å; K186-I188 PolarHBondContact O-N 3.1Å; K186-F189 PolarHBondContact O-N 3.01Å; K186-T190 HydrophobicContact CG-CG2 4.01Å; K186-T190 VanDerWaalsContact O-CG2 3.23Å; K186-T190 WeakPolarHBondContact O-CG2 3.14Å; K186-T190 PolarHBondContact O-N 2.82Å; K186-C195 VanDerWaalsContact CE-SG 3.59Å; K186-C195 PolarHBondContact NZ-SG 2.84Å; K186-D205 IonicContact NZ-OD2 3.85Å; K186-D205 PolarHBondContact NZ-OD2 3.28Å
187P81.6Confident75.3Confident82 Ų8265 Ų6553%0.53234%0.336SS..Hα-helixtrans-53.3-29-179.1-27.836.3000115N183 I185 F189 T190N183-P187 WeakPolarHBondContact O-CD 3.2Å; I185-P187 VanDerWaalsContact C-CD 3.43Å; P187-F189 VanDerWaalsContact C-N 3.33Å; P187-F189 PolarHBondContact O-N 2.79Å; P187-T190 PolarHBondContact O-OG1 3.41Å
188I80.1Confident73.7Confident21 Ų2164 Ų6411%0.10835%0.353CS..Hα-helixtrans-70.1-30.4-178.3-53.8173.2000111.6F87 Y93 A95 L97 I185 K186F87-I188 HydrophobicContact CD1-CG2 4.39Å; F87-I188 HydrophobicContact CE1-CG2 3.86Å; Y93-I188 HydrophobicContact CD2-CD1 3.89Å; Y93-I188 HydrophobicContact CD2-CG2 4.15Å; Y93-I188 HydrophobicContact CE2-CD1 3.75Å; A95-I188 HydrophobicContact CB-CD1 3.43Å; A95-I188 VanDerWaalsContact CB-CD1 3.43Å; A95-I188 HydrophobicContact CB-CG1 3.85Å; L97-I188 HydrophobicContact CD1-CD1 3.68Å; L97-I188 HydrophobicContact CD2-CD1 4.42Å; L97-I188 HydrophobicContact CG-CD1 4.18Å; I185-I188 VanDerWaalsContact O-CB 3.3Å; I185-I188 WeakPolarHBondContact O-CB 3.47Å; I185-I188 WeakPolarHBondContact O-CG1 3.17Å; I185-I188 PolarHBondContact O-N 2.68Å; K186-I188 PolarHBondContact O-N 3.1Å
189F79.1Confident72.3Confident26 Ų2665.4 Ų65.411%0.11436%0.36CS..Hα-helixtrans-107.45-172.7-63.8-81.8000114.2F87 A105 Y108 H109 I185 K186 P187 N191 N192F87-F189 HydrophobicContact CE1-CD1 4.46Å; F87-F189 HydrophobicContact CE1-CE1 4.03Å; F87-F189 HydrophobicContact CE1-CZ 4.48Å; F87-F189 HydrophobicContact CZ-CD1 4.5Å; F87-F189 AromaticContact CZ-CE1 3.72Å; F87-F189 HydrophobicContact CZ-CE1 3.72Å; F87-F189 HydrophobicContact CZ-CZ 4.2Å; A105-F189 HydrophobicContact CB-CE2 4.22Å; A105-F189 HydrophobicContact CB-CZ 4.45Å; Y108-F189 HydrophobicContact CD1-CD1 4.42Å; Y108-F189 AromaticContact CD1-CD2 3.92Å; Y108-F189 HydrophobicContact CD1-CD2 3.92Å; Y108-F189 HydrophobicContact CD1-CE1 4.31Å; Y108-F189 AromaticContact CD1-CE2 3.79Å; Y108-F189 HydrophobicContact CD1-CE2 3.79Å; Y108-F189 HydrophobicContact CD1-CG 4.24Å; Y108-F189 HydrophobicContact CD1-CZ 4Å; Y108-F189 HydrophobicContact CE1-CB 4.41Å; Y108-F189 HydrophobicContact CE1-CD1 4.35Å; Y108-F189 AromaticContact CE1-CD2 3.98Å; Y108-F189 HydrophobicContact CE1-CD2 3.98Å; Y108-F189 HydrophobicContact CE1-CE2 4.33Å; Y108-F189 AromaticContact CE1-CG 3.99Å; Y108-F189 HydrophobicContact CE1-CG 3.99Å; H109-F189 HydrophobicContact CB-CE1 3.74Å; H109-F189 HydrophobicContact CB-CZ 3.88Å; H109-F189 AromaticContact ND1-CE1 3.89Å; I185-F189 HydrophobicContact CG2-CD2 3.76Å; I185-F189 HydrophobicContact CG2-CE2 3.49Å; I185-F189 VanDerWaalsContact CG2-CE2 3.49Å; K186-F189 PolarHBondContact O-N 3.01Å; P187-F189 VanDerWaalsContact C-N 3.33Å; P187-F189 PolarHBondContact O-N 2.79Å; F189-N191 PolarHBondContact O-N 3.27Å; F189-N192 PolarHBondContact O-N 2.93Å; F189-N192 VanDerWaalsContact O-N 3.17Å
190T61Low71.4Confident77 Ų7770.2 Ų70.247%0.47238%0.382SS..THydrogen-bonded Turntrans-6728-16544.20000118.6K186 P187 N192K186-T190 HydrophobicContact CG-CG2 4.01Å; K186-T190 VanDerWaalsContact O-CG2 3.23Å; K186-T190 WeakPolarHBondContact O-CG2 3.14Å; K186-T190 PolarHBondContact O-N 2.82Å; P187-T190 PolarHBondContact O-OG1 3.41Å; T190-N192 VanDerWaalsContact C-N 3.26Å
191N55.1Low70.8Confident161 Ų16166.7 Ų66.786%0.86137%0.369SS*.THydrogen-bonded Turntrans-81.3-10.1149.9-75.1-12.3000112.2F189F189-N191 PolarHBondContact O-N 3.27Å
192N53Low70.1Confident82 Ų8270.6 Ų70.644%0.43939%0.385SS..  trans-100.2104.6177.5-66.7-15.1000110.6F189 T190 D194F189-N192 PolarHBondContact O-N 2.93Å; F189-N192 VanDerWaalsContact O-N 3.17Å; T190-N192 VanDerWaalsContact C-N 3.26Å; N192-D194 PolarHBondContact O-N 3.46Å
193N51.6Low69.3Low154 Ų15473.5 Ų73.582%0.82442%0.417SS*.  trans-74.425.3170.4-85.8-18.4000113.2C195N193-C195 PolarHBondContact O-N 3.24Å; N193-C195 VanDerWaalsContact O-N 3.16Å
194D55.4Low68.8Low107 Ų10775 Ų7557%0.57242%0.419SS*.  trans-91.673.3-175.5-71.9-23.7000110.6N192N192-D194 PolarHBondContact O-N 3.46Å
195C58.5Low68.6Low29 Ų2974.1 Ų74.120%0.19641%0.41CS..SBendtrans-86.8152152.8-66.50000108.5K186 N193 K197 D205K186-C195 VanDerWaalsContact CE-SG 3.59Å; K186-C195 PolarHBondContact NZ-SG 2.84Å; N193-C195 PolarHBondContact O-N 3.24Å; N193-C195 VanDerWaalsContact O-N 3.16Å; C195-K197 PolarHBondContact O-N 3.42Å; C195-D205 HydrophobicContact CB-CB 4.23Å
196T57Low68.6Low50 Ų5074.3 Ų74.331%0.30741%0.411SS..  trans-61.3106.7170.845.50000107.6G198 I206T196-G198 PolarHBondContact O-N 3.04Å; T196-I206 WeakPolarHBondContact OG1-CB 3.49Å; T196-I206 PolarHBondContact OG1-O 3.19Å
197K55.5Low68.7Low205 Ų20572 Ų7289%0.89140%0.402SS*.THydrogen-bonded Turntrans-57.7113.2-172.8-71.8-177.5179.2177.20109.7C195C195-K197 PolarHBondContact O-N 3.42Å
198G58.9Low69Low65 Ų6568.5 Ų68.567%0.6738%0.379SS*.THydrogen-bonded Turntrans104.8-3.9164.900000117.3T196T196-G198 PolarHBondContact O-N 3.04Å
199L63.9Low69.4Low29 Ų2974 Ų7415%0.15240%0.402CS..  trans-103.6128177.6-74.5152.7000111.3T146 F150 I206T146-L199 HydrophobicContact CG2-CD1 3.34Å; F150-L199 HydrophobicContact CD1-CD2 3.7Å; F150-L199 HydrophobicContact CE1-CD2 3.86Å; F150-L199 HydrophobicContact CG-CD2 4.46Å; L199-I206 HydrophobicContact CB-CB 4.1Å; L199-I206 HydrophobicContact CB-CG1 3.68Å; L199-I206 PolarHBondContact O-N 2.86Å
200H73.5Confident70Confident105 Ų10575.9 Ų75.949%0.48641%0.411SS..EExtended strand (participates in β ladder)trans-135.8144.1178.5-54.6-84.1000110.9Y204 D205H200-Y204 CarbonylContact C-O 3.52Å; H200-Y204 WeakPolarHBondContact CA-O 3.36Å; H200-D205 IonicContact CE1-OD1 3.12Å; H200-D205 PolarHBondContact CE1-OD1 3.22Å; H200-D205 IonicContact ND1-OD1 2.89Å; H200-D205 PolarHBondContact ND1-OD1 3.04Å
201Y76.2Confident71.5Confident17 Ų1772.2 Ų72.27%0.06739%0.389CS..EExtended strand (participates in β ladder)trans-124.8121.6171.3-179-102.2000109.5F154 L175 L179 G203 Y204F154-Y201 HydrophobicContact CB-CD2 4Å; F154-Y201 HydrophobicContact CB-CE2 3.9Å; F154-Y201 HydrophobicContact CD1-CE2 4.25Å; F154-Y201 HydrophobicContact CG-CE2 4.38Å; F154-Y201 WeakPolarHBondContact O-CE2 3.41Å; L175-Y201 HydrophobicContact CD2-CD1 3.72Å; L175-Y201 HydrophobicContact CD2-CD2 3.69Å; L175-Y201 HydrophobicContact CD2-CE1 3.93Å; L175-Y201 HydrophobicContact CD2-CE2 3.91Å; L175-Y201 HydrophobicContact CD2-CG 3.58Å; L175-Y201 HydrophobicContact CG-CD1 4.14Å; L175-Y201 HydrophobicContact CG-CE1 4.41Å; L175-Y201 HydrophobicContact CG-CG 4.37Å; L179-Y201 HydrophobicContact CD1-CD1 3.61Å; L179-Y201 HydrophobicContact CD1-CG 4.15Å; Y201-G203 PolarHBondContact O-N 3.43Å; Y201-Y204 PolarHBondContact N-O 3.13Å; Y201-Y204 WeakPolarHBondContact O-CB 3.24Å; Y201-Y204 PolarHBondContact O-N 3.14Å
202K76Confident73.3Confident91 Ų9165 Ų6540%0.39635%0.35SS..THydrogen-bonded Turntrans46.535.6-173.5-64.5-171.2176-169.90113D436 D438K202-D436 IonicContact NZ-OD1 2.92Å; K202-D436 PolarHBondContact NZ-OD1 3.44Å; K202-D438 IonicContact NZ-OD2 3Å; K202-D438 PolarHBondContact NZ-OD2 3.19Å
203G74.6Confident75.3Confident69 Ų6961.8 Ų61.871%0.71133%0.332SS*.THydrogen-bonded Turntrans85.7-5.1-178.900000116.1Y201Y201-G203 PolarHBondContact O-N 3.43Å
204Y77.2Confident77.5Confident86 Ų8654.5 Ų54.534%0.33729%0.293SS..EExtended strand (participates in β ladder)trans-89.9138.9176.6-64.6-71.7000112.3N183 H200 Y201 D434N183-Y204 WeakPolarHBondContact ND2-CD1 3.46Å; N183-Y204 WeakPolarHBondContact ND2-CE1 3.25Å; H200-Y204 CarbonylContact C-O 3.52Å; H200-Y204 WeakPolarHBondContact CA-O 3.36Å; Y201-Y204 PolarHBondContact N-O 3.13Å; Y201-Y204 WeakPolarHBondContact O-CB 3.24Å; Y201-Y204 PolarHBondContact O-N 3.14Å; Y204-D434 PolarHBondContact OH-OD1 2.94Å
205D80.7Confident79.4Confident46 Ų4649.6 Ų49.625%0.24627%0.266CS..EExtended strand (participates in β ladder)trans-68.3134.8175.1-60.2-31000111.3L179 K186 C195 H200L179-D205 WeakPolarHBondContact CD2-O 3.45Å; K186-D205 IonicContact NZ-OD2 3.85Å; K186-D205 PolarHBondContact NZ-OD2 3.28Å; C195-D205 HydrophobicContact CB-CB 4.23Å; H200-D205 IonicContact CE1-OD1 3.12Å; H200-D205 PolarHBondContact CE1-OD1 3.22Å; H200-D205 IonicContact ND1-OD1 2.89Å; H200-D205 PolarHBondContact ND1-OD1 3.04Å
206I85.6Confident81.2Confident4 Ų448.4 Ų48.42%0.02126%0.258CS..PPolyproline II helixtrans-68134.4169.4-60.5-53.8000109.9L143 F150 L175 L179 T196 L199L143-I206 HydrophobicContact CD2-CD1 4.3Å; L143-I206 HydrophobicContact CD2-CG2 4.13Å; F150-I206 HydrophobicContact CE2-CD1 3.86Å; F150-I206 HydrophobicContact CE2-CG1 4.34Å; F150-I206 HydrophobicContact CZ-CD1 3.92Å; F150-I206 HydrophobicContact CZ-CG1 4.21Å; L175-I206 HydrophobicContact CD1-CD1 4.34Å; L179-I206 HydrophobicContact CD2-CD1 3.9Å; T196-I206 WeakPolarHBondContact OG1-CB 3.49Å; T196-I206 PolarHBondContact OG1-O 3.19Å; L199-I206 HydrophobicContact CB-CB 4.1Å; L199-I206 HydrophobicContact CB-CG1 3.68Å; L199-I206 PolarHBondContact O-N 2.86Å
207P88.4Confident83.1Confident6 Ų646 Ų464%0.03924%0.244CC..PPolyproline II helixtrans-69.3158.8-179.724.9-33.5000113.2L178 W182 F211L178-P207 HydrophobicContact CD1-CG 4.15Å; L178-P207 HydrophobicContact CD2-CG 3.97Å; L178-P207 HydrophobicContact CG-CG 3.98Å; W182-P207 HydrophobicContact CB-CB 4.08Å; W182-P207 HydrophobicContact CB-CG 4.42Å; W182-P207 HydrophobicContact CD2-CB 3.75Å; W182-P207 HydrophobicContact CE3-CB 4.22Å; W182-P207 HydrophobicContact CG-CB 3.67Å; W182-P207 HydrophobicContact CG-CG 4.4Å; P207-F211 HydrophobicContact CB-CB 4.04Å; P207-F211 HydrophobicContact CB-CD1 3.46Å; P207-F211 VanDerWaalsContact CB-CD1 3.46Å; P207-F211 HydrophobicContact CB-CE1 4.27Å; P207-F211 HydrophobicContact CB-CG 4Å; P207-F211 HydrophobicContact CG-CD1 3.91Å; P207-F211 HydrophobicContact CG-CE1 4.49Å
208P87.6Confident85Confident9 Ų936.2 Ų36.26%0.05820%0.201CC..PPolyproline II helixtrans-64154.8171.627.9-34.1000111.9Y108 W182 E210 F211 L212Y108-P208 HydrophobicContact CE2-CG 4.41Å; W182-P208 HydrophobicContact CH2-CG 3.99Å; W182-P208 HydrophobicContact CZ2-CG 4.38Å; W182-P208 HydrophobicContact CZ3-CG 4.41Å; P208-E210 PolarHBondContact O-N 3.45Å; P208-E210 VanDerWaalsContact O-N 3.15Å; P208-F211 HydrophobicContact CG-CB 4Å; P208-F211 WeakPolarHBondContact O-CA 3.16Å; P208-F211 WeakPolarHBondContact O-CB 3.41Å; P208-F211 PolarHBondContact O-N 3.05Å; P208-L212 PolarHBondContact O-N 3.28Å; P208-L212 VanDerWaalsContact O-N 3.13Å
209K88.6Confident86.7Confident136 Ų13634 Ų3459%0.59117%0.174SC*.Hα-helixtrans-57-32.9-176.867.7-179.6-176.6-179.20113.7L144 F211 L212 W213L144-K209 HydrophobicContact CD2-CB 4.03Å; K209-F211 VanDerWaalsContact C-N 3.3Å; K209-F211 PolarHBondContact O-N 3.21Å; K209-L212 PolarHBondContact O-N 2.97Å; K209-W213 WeakPolarHBondContact O-CB 3.35Å; K209-W213 PolarHBondContact O-N 2.83Å
210E90.6Very high88.1Confident65 Ų6533.4 Ų33.430%0.30417%0.173SC..Hα-helixtrans-68.8-31.2177.6-67.175.4-16700111.8Y108 K111 P208 A214Y108-E210 HydrophobicContact CD2-CB 4.22Å; Y108-E210 HydrophobicContact CE2-CB 3.84Å; K111-E210 HydrophobicContact CG-CB 4.46Å; K111-E210 HydrophobicContact CG-CG 4.48Å; P208-E210 PolarHBondContact O-N 3.45Å; P208-E210 VanDerWaalsContact O-N 3.15Å; E210-A214 PolarHBondContact O-N 3.16Å; E210-A214 VanDerWaalsContact O-N 3.09Å
211F93.3Very high89.2Confident0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-73.7-43.1174-178-88.2000110.6I104 Y108 L178 W182 I185 P207 P208 K209 W213 A214 W215I104-F211 HydrophobicContact CG2-CD2 4.42Å; I104-F211 HydrophobicContact CG2-CE2 3.73Å; I104-F211 HydrophobicContact CG2-CZ 3.84Å; Y108-F211 HydrophobicContact CD1-CD2 4.24Å; Y108-F211 VanDerWaalsContact CD2-CA 3.46Å; Y108-F211 HydrophobicContact CD2-CB 3.83Å; Y108-F211 HydrophobicContact CD2-CD2 4.16Å; Y108-F211 HydrophobicContact CE2-CB 3.69Å; Y108-F211 HydrophobicContact CE2-CD2 4.48Å; Y108-F211 HydrophobicContact CG-CD2 4.03Å; L178-F211 HydrophobicContact CD1-CD1 4.07Å; L178-F211 HydrophobicContact CD1-CE1 3.85Å; W182-F211 VanDerWaalsContact CA-CZ 3.49Å; W182-F211 HydrophobicContact CB-CD1 4.25Å; W182-F211 HydrophobicContact CB-CE1 3.69Å; W182-F211 HydrophobicContact CB-CZ 3.98Å; W182-F211 HydrophobicContact CD2-CD1 4.49Å; W182-F211 HydrophobicContact CD2-CG 4.48Å; W182-F211 HydrophobicContact CE3-CB 4.28Å; W182-F211 AromaticContact CE3-CD1 4Å; W182-F211 HydrophobicContact CE3-CD1 4Å; W182-F211 AromaticContact CE3-CD2 3.46Å; W182-F211 HydrophobicContact CE3-CD2 3.46Å; W182-F211 VanDerWaalsContact CE3-CD2 3.46Å; W182-F211 HydrophobicContact CE3-CE1 4.2Å; W182-F211 AromaticContact CE3-CE2 3.69Å; W182-F211 HydrophobicContact CE3-CE2 3.69Å; W182-F211 AromaticContact CE3-CG 3.62Å; W182-F211 HydrophobicContact CE3-CG 3.62Å; W182-F211 HydrophobicContact CE3-CZ 4.05Å; W182-F211 HydrophobicContact CG-CE1 4.48Å; W182-F211 HydrophobicContact CZ3-CB 4.28Å; W182-F211 AromaticContact CZ3-CD2 3.75Å; W182-F211 HydrophobicContact CZ3-CD2 3.75Å; W182-F211 HydrophobicContact CZ3-CE2 4.3Å; W182-F211 HydrophobicContact CZ3-CG 4.02Å; I185-F211 HydrophobicContact CB-CE2 3.95Å; I185-F211 HydrophobicContact CB-CZ 4.49Å; I185-F211 HydrophobicContact CD1-CE2 3.69Å; I185-F211 HydrophobicContact CD1-CZ 3.88Å; I185-F211 HydrophobicContact CG1-CE2 4.41Å; I185-F211 HydrophobicContact CG2-CE2 3.94Å; P207-F211 HydrophobicContact CB-CB 4.04Å; P207-F211 HydrophobicContact CB-CD1 3.46Å; P207-F211 VanDerWaalsContact CB-CD1 3.46Å; P207-F211 HydrophobicContact CB-CE1 4.27Å; P207-F211 HydrophobicContact CB-CG 4Å; P207-F211 HydrophobicContact CG-CD1 3.91Å; P207-F211 HydrophobicContact CG-CE1 4.49Å; P208-F211 HydrophobicContact CG-CB 4Å; P208-F211 WeakPolarHBondContact O-CA 3.16Å; P208-F211 WeakPolarHBondContact O-CB 3.41Å; P208-F211 PolarHBondContact O-N 3.05Å; K209-F211 VanDerWaalsContact C-N 3.3Å; K209-F211 PolarHBondContact O-N 3.21Å; F211-W213 VanDerWaalsContact C-N 3.3Å; F211-W213 PolarHBondContact O-N 3.01Å; F211-A214 PolarHBondContact O-N 3.4Å; F211-A214 VanDerWaalsContact O-N 3.14Å; F211-W215 HydrophobicContact CE1-CB 4.49Å; F211-W215 WeakPolarHBondContact O-CB 3.46Å; F211-W215 PolarHBondContact O-N 2.84Å
212L93.7Very high90Very high9 Ų931.8 Ų31.85%0.04717%0.167CC..Hα-helixtrans-56-45.5171.9177.460.6000111.3L143 L144 L178 P208 K209 A214 W215 C216L143-L212 HydrophobicContact CB-CD2 3.84Å; L143-L212 HydrophobicContact CD1-CD1 3.93Å; L143-L212 HydrophobicContact CD1-CD2 4.11Å; L144-L212 HydrophobicContact CD2-CD2 4.31Å; L144-L212 HydrophobicContact CG-CD2 4.2Å; L178-L212 HydrophobicContact CD1-CD1 4.21Å; L178-L212 HydrophobicContact CD2-CD1 3.89Å; P208-L212 PolarHBondContact O-N 3.28Å; P208-L212 VanDerWaalsContact O-N 3.13Å; K209-L212 PolarHBondContact O-N 2.97Å; L212-A214 PolarHBondContact O-N 2.89Å; L212-W215 PolarHBondContact O-N 3Å; L212-C216 PolarHBondContact O-N 2.91Å; L212-C216 PolarHBondContact O-SG 2.93Å; L212-C216 VanDerWaalsContact O-SG 3.33Å
213W94.8Very high90.8Very high16 Ų1628.8 Ų28.86%0.06116%0.156CC..Hα-helixtrans-57.6-45.1174.4175.788.9000112.6M107 K111 L128 L131 P132 E133 Y135 K209 F211 T217M107-W213 HydrophobicContact CE-CH2 3.95Å; M107-W213 HydrophobicContact CE-CZ3 4.27Å; K111-W213 HydrophobicContact CB-CE3 3.95Å; K111-W213 HydrophobicContact CB-CZ3 3.71Å; K111-W213 HydrophobicContact CD-CD2 4.17Å; K111-W213 HydrophobicContact CD-CE3 3.83Å; K111-W213 HydrophobicContact CD-CH2 4.01Å; K111-W213 HydrophobicContact CD-CZ2 4.28Å; K111-W213 HydrophobicContact CD-CZ3 3.76Å; K111-W213 HydrophobicContact CG-CD2 4.36Å; K111-W213 HydrophobicContact CG-CE3 3.71Å; K111-W213 HydrophobicContact CG-CZ3 3.86Å; L128-W213 HydrophobicContact CD2-CH2 3.79Å; L128-W213 HydrophobicContact CD2-CZ3 4.41Å; L131-W213 HydrophobicContact CB-CZ2 4.04Å; L131-W213 HydrophobicContact CD1-CH2 3.93Å; L131-W213 HydrophobicContact CD1-CZ2 3.97Å; P132-W213 PolarHBondContact O-NE1 3.25Å; E133-W213 VanDerWaalsContact O-CD1 3.28Å; Y135-W213 AromaticContact CE2-CD1 3.87Å; Y135-W213 HydrophobicContact CE2-CG 4.48Å; Y135-W213 AromaticContact CE2-NE1 3.9Å; K209-W213 WeakPolarHBondContact O-CB 3.35Å; K209-W213 PolarHBondContact O-N 2.83Å; F211-W213 VanDerWaalsContact C-N 3.3Å; F211-W213 PolarHBondContact O-N 3.01Å; W213-T217 WeakPolarHBondContact O-CB 3.34Å; W213-T217 PolarHBondContact O-N 2.88Å; W213-T217 PolarHBondContact O-OG1 2.89Å
214A96.7Very high91.6Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-65.4-42.8178.100000111.3I104 M107 E210 F211 L212 T217 V218I104-A214 HydrophobicContact CG2-CB 4.38Å; M107-A214 HydrophobicContact CB-CB 4.04Å; E210-A214 PolarHBondContact O-N 3.16Å; E210-A214 VanDerWaalsContact O-N 3.09Å; F211-A214 PolarHBondContact O-N 3.4Å; F211-A214 VanDerWaalsContact O-N 3.14Å; L212-A214 PolarHBondContact O-N 2.89Å; A214-T217 WeakPolarHBondContact O-CB 3.43Å; A214-T217 PolarHBondContact O-N 3.37Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 3.02Å
215W96.4Very high92.4Very high4 Ų424.7 Ų24.72%0.01513%0.129CC..Hα-helixtrans-59.7-52177.2-169.195.4000111.4I104 L174 R177 L178 S181 F211 L212 T217 V218 N219I104-W215 HydrophobicContact CD1-CG 4.31Å; I104-W215 HydrophobicContact CG2-CB 4.48Å; L174-W215 HydrophobicContact CD2-CH2 3.96Å; R177-W215 HydrophobicContact CB-CZ2 4.11Å; L178-W215 HydrophobicContact CB-CD2 4.43Å; L178-W215 HydrophobicContact CD1-CB 3.66Å; L178-W215 HydrophobicContact CD1-CD2 3.79Å; L178-W215 HydrophobicContact CD1-CE3 4.41Å; L178-W215 HydrophobicContact CD1-CG 3.4Å; S181-W215 PolarHBondContact OG-NE1 2.88Å; F211-W215 HydrophobicContact CE1-CB 4.49Å; F211-W215 WeakPolarHBondContact O-CB 3.46Å; F211-W215 PolarHBondContact O-N 2.84Å; L212-W215 PolarHBondContact O-N 3Å; W215-T217 VanDerWaalsContact C-N 3.28Å; W215-T217 PolarHBondContact O-N 2.83Å; W215-V218 PolarHBondContact O-N 3.37Å; W215-N219 HydrophobicContact CE3-CB 4.12Å; W215-N219 HydrophobicContact CH2-CB 4.15Å; W215-N219 HydrophobicContact CZ3-CB 3.88Å; W215-N219 WeakPolarHBondContact O-CB 3.43Å; W215-N219 PolarHBondContact O-N 2.77Å
216C96Very high92.9Very high4 Ų424.3 Ų24.33%0.02713%0.129CC..Hα-helixtrans-63.3-35177.7-63.50000112.2Y135 S140 L212 N219 S220Y135-C216 HydrophobicContact CD1-CB 4.05Å; Y135-C216 HydrophobicContact CD2-CB 3.53Å; Y135-C216 HydrophobicContact CE2-CB 4.09Å; Y135-C216 HydrophobicContact CG-CB 3.52Å; S140-C216 PolarHBondContact OG-SG 3Å; L212-C216 PolarHBondContact O-N 2.91Å; L212-C216 PolarHBondContact O-SG 2.93Å; L212-C216 VanDerWaalsContact O-SG 3.33Å; C216-N219 PolarHBondContact O-N 3.24Å; C216-S220 WeakPolarHBondContact O-CB 3.4Å; C216-S220 PolarHBondContact O-N 2.73Å; C216-S220 PolarHBondContact O-OG 2.91Å
217T96.3Very high93Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-61.1-48.1174.8-610000111.5M107 L131 Y135 W213 A214 W215 R221M107-T217 HydrophobicContact CE-CG2 3.96Å; L131-T217 HydrophobicContact CD1-CG2 3.86Å; L131-T217 HydrophobicContact CD2-CG2 4.44Å; Y135-T217 WeakPolarHBondContact CE2-OG1 3.41Å; Y135-T217 VanDerWaalsContact OH-CA 3.25Å; Y135-T217 WeakPolarHBondContact OH-CA 3.38Å; Y135-T217 WeakPolarHBondContact OH-CB 3.24Å; Y135-T217 PolarHBondContact OH-OG1 3.2Å; W213-T217 WeakPolarHBondContact O-CB 3.34Å; W213-T217 PolarHBondContact O-N 2.88Å; W213-T217 PolarHBondContact O-OG1 2.89Å; A214-T217 WeakPolarHBondContact O-CB 3.43Å; A214-T217 PolarHBondContact O-N 3.37Å; W215-T217 VanDerWaalsContact C-N 3.28Å; W215-T217 PolarHBondContact O-N 2.83Å; T217-R221 VanDerWaalsContact O-CB 3.23Å; T217-R221 WeakPolarHBondContact O-CB 3.39Å; T217-R221 PolarHBondContact O-N 2.89Å
218V96.5Very high92.8Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-68.5-45.6177.7-175.60000110.8L100 L103 I104 M107 A214 W215 S220 R221 C222 L272L100-V218 HydrophobicContact CD1-CG1 3.5Å; L100-V218 VanDerWaalsContact CD1-CG1 3.5Å; L100-V218 HydrophobicContact CG-CG1 4.08Å; L103-V218 HydrophobicContact CB-CG1 3.82Å; L103-V218 HydrophobicContact CB-CG2 3.99Å; L103-V218 HydrophobicContact CD1-CG1 4.17Å; I104-V218 HydrophobicContact CB-CG2 4.32Å; I104-V218 HydrophobicContact CG1-CB 3.76Å; I104-V218 HydrophobicContact CG1-CG1 4.15Å; I104-V218 HydrophobicContact CG1-CG2 3.64Å; M107-V218 HydrophobicContact CG-CG2 4.09Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 3.02Å; W215-V218 PolarHBondContact O-N 3.37Å; V218-S220 VanDerWaalsContact C-N 3.3Å; V218-S220 PolarHBondContact O-N 3.05Å; V218-R221 PolarHBondContact O-N 3.49Å; V218-C222 HydrophobicContact CG1-CB 4.15Å; V218-C222 WeakPolarHBondContact O-CB 3.36Å; V218-C222 PolarHBondContact O-N 3.39Å; V218-L272 HydrophobicContact CG2-CD1 4.2Å
219N93.9Very high92.5Very high17 Ų1729.9 Ų29.99%0.09115%0.152CC..Hα-helixtrans-60.4-37.4-175.7-164.675.9000113R177 W215 C216 E327R177-N219 PolarHBondContact NH2-OD1 2.95Å; W215-N219 HydrophobicContact CE3-CB 4.12Å; W215-N219 HydrophobicContact CH2-CB 4.15Å; W215-N219 HydrophobicContact CZ3-CB 3.88Å; W215-N219 WeakPolarHBondContact O-CB 3.43Å; W215-N219 PolarHBondContact O-N 2.77Å; C216-N219 PolarHBondContact O-N 3.24Å; N219-E327 WeakPolarHBondContact ND2-CB 3.48Å; N219-E327 PolarHBondContact ND2-O 2.66Å; N219-E327 PolarHBondContact ND2-OE2 3.06Å
220S93.9Very high92.2Very high18 Ų1825 Ų2513%0.12614%0.135CC..Hα-helixtrans-93.4-11.8-175.961.70000115.1Y135 C216 V218 Y328Y135-S220 WeakPolarHBondContact CE1-OG 3.44Å; C216-S220 WeakPolarHBondContact O-CB 3.4Å; C216-S220 PolarHBondContact O-N 2.73Å; C216-S220 PolarHBondContact O-OG 2.91Å; V218-S220 VanDerWaalsContact C-N 3.3Å; V218-S220 PolarHBondContact O-N 3.05Å; S220-Y328 WeakPolarHBondContact O-CD1 3.23Å
221R95.4Very high91.8Very high54 Ų5423.9 Ų23.920%0.20413%0.131CC..Hα-helixtrans-128.3-10.5-169.1-62173.7165.9-72.5-22.8115.2Y135 T217 V218 L272 D277Y135-R221 PolarHBondContact OH-NE 3.16Å; T217-R221 VanDerWaalsContact O-CB 3.23Å; T217-R221 WeakPolarHBondContact O-CB 3.39Å; T217-R221 PolarHBondContact O-N 2.89Å; V218-R221 PolarHBondContact O-N 3.49Å; R221-L272 HydrophobicContact CB-CD2 3.77Å; R221-D277 HydrophobicContact CB-CB 4.01Å; R221-D277 HydrophobicContact CG-CB 4.32Å; R221-D277 IonicContact CZ-OD2 3.27Å; R221-D277 VanDerWaalsContact NH1-CG 3.26Å; R221-D277 PolarHBondContact NH1-O 3.31Å; R221-D277 IonicContact NH1-OD2 2.75Å; R221-D277 PolarHBondContact NH1-OD2 2.89Å
222C93.6Very high91.4Very high34 Ų3427.5 Ų27.523%0.2316%0.156CC..  trans-70.8140.9179.4-162.20000110.9L103 V218 I270 S271 L272L103-C222 WeakPolarHBondContact CD1-SG 3.48Å; V218-C222 HydrophobicContact CG1-CB 4.15Å; V218-C222 WeakPolarHBondContact O-CB 3.36Å; V218-C222 PolarHBondContact O-N 3.39Å; C222-I270 VanDerWaalsContact SG-CB 3.59Å; C222-S271 WeakPolarHBondContact CA-O 3.39Å; C222-S271 VanDerWaalsContact SG-C 3.53Å; C222-S271 PolarHBondContact SG-N 3.15Å; C222-S271 VanDerWaalsContact SG-N 3.37Å; C222-S271 PolarHBondContact SG-O 2.92Å; C222-L272 HydrophobicContact CB-CD2 4.36Å
223V93.3Very high91.1Very high28 Ų2832 Ų3217%0.1718%0.177CC..EExtended strand (participates in β ladder)trans-123.4141.9-179.760.20000110.5I270 S271 I273 F276 L289V223-I270 CarbonylContact O-C 3.55Å; V223-I270 WeakPolarHBondContact O-CA 3.28Å; V223-S271 PolarHBondContact N-O 3.06Å; V223-S271 PolarHBondContact O-N 3.15Å; V223-I273 HydrophobicContact CG1-CD1 3.83Å; V223-I273 HydrophobicContact CG1-CG1 4.14Å; V223-F276 HydrophobicContact CB-CD1 4.48Å; V223-F276 HydrophobicContact CB-CE1 3.93Å; V223-F276 HydrophobicContact CG1-CD1 4.11Å; V223-F276 HydrophobicContact CG1-CE1 3.96Å; V223-F276 HydrophobicContact CG2-CE1 3.75Å; V223-F276 HydrophobicContact CG2-CZ 4.11Å; V223-L289 HydrophobicContact CG2-CD2 3.96Å
224S91.7Very high90.8Very high69 Ų6931.2 Ų31.248%0.48317%0.174SC..EExtended strand (participates in β ladder)trans-77.5121.6170.8-174.70000110.3
225C92.3Very high90.3Very high0 Ų033.7 Ų33.70%019%0.185CC..EExtended strand (participates in β ladder)trans-108.5133.1-178.5-55.90000110.7F227 H268 T269 L298C225-F227 HydrophobicContact CB-CD1 3.56Å; C225-F227 HydrophobicContact CB-CE1 3.43Å; C225-F227 VanDerWaalsContact CB-CE1 3.43Å; C225-F227 PolarHBondContact O-N 3.44Å; C225-H268 CarbonylContact O-C 3.56Å; C225-H268 WeakPolarHBondContact O-CA 3.11Å; C225-T269 HydrophobicContact CB-CG2 4.19Å; C225-T269 WeakPolarHBondContact CB-O 3.43Å; C225-T269 PolarHBondContact N-O 3.29Å; C225-T269 PolarHBondContact O-N 3.14Å; C225-L298 HydrophobicContact CB-CD1 4.1Å; C225-L298 HydrophobicContact CB-CD2 4.42Å
226P91.6Very high89.8Confident38 Ų3838.7 Ų38.725%0.24721%0.209CC..SBendtrans-84.354.8-174.136.5-38.8000112.3N267 L298P226-N267 CarbonylContact C-O 3.49Å; P226-L298 HydrophobicContact CG-CD2 4.4Å
227F89.2Confident89.4Confident18 Ų1839.2 Ų39.28%0.07921%0.211CC..  trans-146.8160.3173.276.9-76.6000111.3L65 V71 T73 C225 E229 N267 T269 L291 L298L65-F227 HydrophobicContact CD1-CD2 4.29Å; L65-F227 HydrophobicContact CD1-CE2 4.47Å; L65-F227 HydrophobicContact CD1-CG 4.44Å; L65-F227 HydrophobicContact CD2-CE1 4.1Å; L65-F227 HydrophobicContact CD2-CE2 4.13Å; L65-F227 HydrophobicContact CD2-CZ 3.82Å; V71-F227 HydrophobicContact CG1-CE1 4.39Å; V71-F227 HydrophobicContact CG1-CZ 4.11Å; T73-F227 HydrophobicContact CG2-CE2 4.43Å; T73-F227 HydrophobicContact CG2-CZ 3.79Å; C225-F227 HydrophobicContact CB-CD1 3.56Å; C225-F227 HydrophobicContact CB-CE1 3.43Å; C225-F227 VanDerWaalsContact CB-CE1 3.43Å; C225-F227 PolarHBondContact O-N 3.44Å; F227-E229 HydrophobicContact CD2-CB 4.48Å; F227-E229 HydrophobicContact CE2-CB 4Å; F227-N267 PolarHBondContact N-O 3.36Å; F227-T269 HydrophobicContact CD1-CG2 4.1Å; F227-T269 HydrophobicContact CE1-CG2 3.67Å; F227-T269 HydrophobicContact CE2-CG2 4.33Å; F227-T269 HydrophobicContact CZ-CG2 3.81Å; F227-L291 HydrophobicContact CB-CD1 4.31Å; F227-L298 HydrophobicContact CD1-CD1 4.13Å; F227-L298 HydrophobicContact CD1-CD2 3.97Å; F227-L298 HydrophobicContact CD1-CG 4.38Å; F227-L298 HydrophobicContact CE1-CD1 3.76Å; F227-L298 HydrophobicContact CE1-CD2 4.44Å; F227-L298 HydrophobicContact CE1-CG 4.43Å
228K82.3Confident88.9Confident98 Ų9839.2 Ų39.243%0.42621%0.211SC..  trans-111.5136.4172-174.4175.1-178.2177.40109
229E81.9Confident88.2Confident20 Ų2043.3 Ų43.39%0.09323%0.233CC..  trans-110142.1177.9-169.4164.2-128.100110.8T73 L75 R76 F227 V234T73-E229 WeakPolarHBondContact CG2-OE2 3.38Å; T73-E229 PolarHBondContact OG1-OE2 3.23Å; L75-E229 HydrophobicContact CD2-CB 4.43Å; L75-E229 HydrophobicContact CD2-CG 4.28Å; R76-E229 WeakPolarHBondContact CG-OE2 3.4Å; R76-E229 IonicContact CZ-OE1 2.62Å; R76-E229 VanDerWaalsContact NE-CD 3.31Å; R76-E229 IonicContact NE-OE1 2.66Å; R76-E229 PolarHBondContact NE-OE1 2.88Å; R76-E229 IonicContact NE-OE2 3.53Å; R76-E229 PolarHBondContact NE-OE2 3.07Å; R76-E229 VanDerWaalsContact NE-OE2 3.16Å; R76-E229 IonicContact NH2-OE1 2.72Å; R76-E229 PolarHBondContact NH2-OE1 3.39Å; F227-E229 HydrophobicContact CD2-CB 4.48Å; F227-E229 HydrophobicContact CE2-CB 4Å; E229-V234 VanDerWaalsContact CD-CG2 3.43Å; E229-V234 HydrophobicContact CG-CG2 3.69Å
230S82.8Confident87.5Confident32 Ų3244.3 Ų44.322%0.22424%0.238CC..  trans-105.4151.9176.465.70000111.7S232 Q233 V234S230-S232 PolarHBondContact O-N 3.22Å; S230-S232 PolarHBondContact OG-OG 3.44Å; S230-S232 VanDerWaalsContact OG-OG 3.08Å; S230-Q233 WeakPolarHBondContact O-CB 3.42Å; S230-Q233 PolarHBondContact O-N 3.39Å; S230-Q233 VanDerWaalsContact OG-CG 3.23Å; S230-Q233 WeakPolarHBondContact OG-CG 3.07Å; S230-Q233 PolarHBondContact OG-N 3.12Å; S230-Q233 PolarHBondContact OG-OE1 3.29Å; S230-V234 PolarHBondContact O-N 3.31Å; S230-V234 VanDerWaalsContact O-N 3.09Å
231L82.6Confident86.8Confident42 Ų4243.9 Ų43.922%0.2223%0.234CC..Hα-helixtrans-58.4-38.4176.6-17963.5000111.5L75 Y79 Q233 V234 Q235 M262L75-L231 HydrophobicContact CD1-CD1 4.36Å; Y79-L231 HydrophobicContact CD2-CD1 3.74Å; Y79-L231 HydrophobicContact CE2-CD1 4.02Å; L231-Q233 VanDerWaalsContact C-N 3.31Å; L231-Q233 PolarHBondContact O-N 3.02Å; L231-V234 PolarHBondContact O-N 3.48Å; L231-Q235 HydrophobicContact CD1-CG 4.45Å; L231-Q235 HydrophobicContact CG-CG 4.39Å; L231-Q235 WeakPolarHBondContact O-CB 3.34Å; L231-Q235 VanDerWaalsContact O-CG 3.28Å; L231-Q235 WeakPolarHBondContact O-CG 3.46Å; L231-Q235 PolarHBondContact O-N 2.89Å; L231-M262 HydrophobicContact CB-CE 3.78Å
232S85.4Confident85.8Confident77 Ų7743.3 Ų43.354%0.53824%0.235SC..Hα-helixtrans-62-36.517646.80000113S230 H236S230-S232 PolarHBondContact O-N 3.22Å; S230-S232 PolarHBondContact OG-OG 3.44Å; S230-S232 VanDerWaalsContact OG-OG 3.08Å; S232-H236 WeakPolarHBondContact O-CB 3.11Å; S232-H236 PolarHBondContact O-N 3.42Å; S232-H236 VanDerWaalsContact O-N 3.11Å
233Q86.9Confident84.7Confident102 Ų10244.2 Ų44.248%0.47724%0.242SC..Hα-helixtrans-66.7-49.2173.8-74.9161.9-42.100110S230 L231 Q235 H236 L237S230-Q233 WeakPolarHBondContact O-CB 3.42Å; S230-Q233 PolarHBondContact O-N 3.39Å; S230-Q233 VanDerWaalsContact OG-CG 3.23Å; S230-Q233 WeakPolarHBondContact OG-CG 3.07Å; S230-Q233 PolarHBondContact OG-N 3.12Å; S230-Q233 PolarHBondContact OG-OE1 3.29Å; L231-Q233 VanDerWaalsContact C-N 3.31Å; L231-Q233 PolarHBondContact O-N 3.02Å; Q233-Q235 VanDerWaalsContact C-N 3.33Å; Q233-Q235 PolarHBondContact O-N 3.05Å; Q233-H236 WeakPolarHBondContact O-CA 3.47Å; Q233-H236 WeakPolarHBondContact O-CB 3.21Å; Q233-H236 PolarHBondContact O-N 2.99Å; Q233-L237 WeakPolarHBondContact O-CG 3.27Å; Q233-L237 PolarHBondContact O-N 3.25Å
234V88.1Confident83.4Confident0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-59.5-42.6179.3177.80000112L68 L75 R76 Y79 E229 S230 L231 H236 L237 Y238L68-V234 HydrophobicContact CD1-CG1 4.37Å; L75-V234 HydrophobicContact CD2-CG2 3.82Å; L75-V234 HydrophobicContact CG-CG2 3.92Å; R76-V234 HydrophobicContact CG-CG1 4.19Å; R76-V234 HydrophobicContact CG-CG2 3.86Å; Y79-V234 HydrophobicContact CD1-CG1 4.08Å; Y79-V234 HydrophobicContact CD2-CG1 4.08Å; Y79-V234 HydrophobicContact CG-CG1 3.67Å; E229-V234 VanDerWaalsContact CD-CG2 3.43Å; E229-V234 HydrophobicContact CG-CG2 3.69Å; S230-V234 PolarHBondContact O-N 3.31Å; S230-V234 VanDerWaalsContact O-N 3.09Å; L231-V234 PolarHBondContact O-N 3.48Å; V234-H236 VanDerWaalsContact C-N 3.31Å; V234-H236 PolarHBondContact O-N 3.26Å; V234-L237 PolarHBondContact O-N 2.94Å; V234-Y238 VanDerWaalsContact O-CB 3.26Å; V234-Y238 WeakPolarHBondContact O-CB 3.41Å; V234-Y238 PolarHBondContact O-N 2.75Å
235Q86.1Confident81.8Confident52 Ų5249.7 Ų49.724%0.24326%0.259CS..Hα-helixtrans-58.4-42.3173.7-75.1172.5-17.600112Y79 L231 Q233 Y238 N239 F255Y79-Q235 HydrophobicContact CE2-CG 3.56Å; L231-Q235 HydrophobicContact CD1-CG 4.45Å; L231-Q235 HydrophobicContact CG-CG 4.39Å; L231-Q235 WeakPolarHBondContact O-CB 3.34Å; L231-Q235 VanDerWaalsContact O-CG 3.28Å; L231-Q235 WeakPolarHBondContact O-CG 3.46Å; L231-Q235 PolarHBondContact O-N 2.89Å; Q233-Q235 VanDerWaalsContact C-N 3.33Å; Q233-Q235 PolarHBondContact O-N 3.05Å; Q235-Y238 PolarHBondContact O-N 3.02Å; Q235-N239 VanDerWaalsContact O-CG 3.31Å; Q235-N239 PolarHBondContact O-N 2.92Å; Q235-N239 PolarHBondContact O-ND2 3.05Å; Q235-N239 VanDerWaalsContact O-ND2 3.12Å; Q235-F255 HydrophobicContact CG-CE1 4.35Å
236H86.9Confident80.3Confident110 Ų11050.3 Ų50.351%0.50926%0.262SS..Hα-helixtrans-63.9-48.2176.5-178.667.3000111.8S232 Q233 V234 Y238 N239 L240S232-H236 WeakPolarHBondContact O-CB 3.11Å; S232-H236 PolarHBondContact O-N 3.42Å; S232-H236 VanDerWaalsContact O-N 3.11Å; Q233-H236 WeakPolarHBondContact O-CA 3.47Å; Q233-H236 WeakPolarHBondContact O-CB 3.21Å; Q233-H236 PolarHBondContact O-N 2.99Å; V234-H236 VanDerWaalsContact C-N 3.31Å; V234-H236 PolarHBondContact O-N 3.26Å; H236-Y238 VanDerWaalsContact C-N 3.28Å; H236-Y238 PolarHBondContact O-N 3.09Å; H236-N239 PolarHBondContact O-N 3.16Å; H236-L240 WeakPolarHBondContact O-CG 3.26Å; H236-L240 PolarHBondContact O-N 3.23Å
237L87Confident78.7Confident14 Ų1456.4 Ų56.47%0.07329%0.285CS..Hα-helixtrans-60.8-38.9177.8-61.9-176.4000112.2L65 D66 L68 Q233 V234 L240 L241L65-L237 WeakPolarHBondContact O-CD1 3.38Å; D66-L237 HydrophobicContact CB-CD2 4.17Å; D66-L237 WeakPolarHBondContact O-CD2 3.44Å; L68-L237 HydrophobicContact CB-CB 4.2Å; L68-L237 HydrophobicContact CD1-CB 3.99Å; L68-L237 HydrophobicContact CD1-CD1 4.32Å; Q233-L237 WeakPolarHBondContact O-CG 3.27Å; Q233-L237 PolarHBondContact O-N 3.25Å; V234-L237 PolarHBondContact O-N 2.94Å; L237-L240 HydrophobicContact CD2-CD1 4.32Å; L237-L240 WeakPolarHBondContact O-CB 3.07Å; L237-L240 PolarHBondContact O-N 2.94Å; L237-L241 WeakPolarHBondContact O-CB 3.23Å; L237-L241 PolarHBondContact O-N 2.67Å
238Y84.7Confident77.2Confident1 Ų163.2 Ų63.20%0.00432%0.322CS..Hα-helixtrans-64.1-41.7176177-100.6000112.9L68 Y79 L80 H83 V234 Q235 H236 L240 L241 I242 F251L68-Y238 HydrophobicContact CD2-CD2 4.16Å; Y79-Y238 HydrophobicContact CD1-CD2 4.06Å; Y79-Y238 HydrophobicContact CD1-CG 4.09Å; Y79-Y238 AromaticContact CE1-CD1 3.61Å; Y79-Y238 HydrophobicContact CE1-CD1 3.61Å; Y79-Y238 AromaticContact CE1-CD2 3.74Å; Y79-Y238 HydrophobicContact CE1-CD2 3.74Å; Y79-Y238 HydrophobicContact CE1-CE1 4.05Å; Y79-Y238 HydrophobicContact CE1-CE2 4.21Å; Y79-Y238 AromaticContact CE1-CG 3.4Å; Y79-Y238 HydrophobicContact CE1-CG 3.4Å; Y79-Y238 VanDerWaalsContact CE1-CG 3.4Å; L80-Y238 HydrophobicContact CD2-CD2 4.31Å; H83-Y238 HydrophobicContact CB-CE2 4Å; H83-Y238 VanDerWaalsContact CB-OH 3.29Å; H83-Y238 WeakPolarHBondContact CB-OH 3.47Å; H83-Y238 AromaticContact CD2-CE1 3.61Å; H83-Y238 AromaticContact CD2-CZ 3.47Å; H83-Y238 VanDerWaalsContact CD2-CZ 3.47Å; H83-Y238 PolarHBondContact CD2-OH 3.42Å; H83-Y238 VanDerWaalsContact CD2-OH 3.24Å; H83-Y238 AromaticContact CG-CZ 3.75Å; V234-Y238 VanDerWaalsContact O-CB 3.26Å; V234-Y238 WeakPolarHBondContact O-CB 3.41Å; V234-Y238 PolarHBondContact O-N 2.75Å; Q235-Y238 PolarHBondContact O-N 3.02Å; H236-Y238 VanDerWaalsContact C-N 3.28Å; H236-Y238 PolarHBondContact O-N 3.09Å; Y238-L240 VanDerWaalsContact C-N 3.33Å; Y238-L240 PolarHBondContact O-N 3.3Å; Y238-L241 WeakPolarHBondContact O-CB 3.49Å; Y238-L241 PolarHBondContact O-N 2.96Å; Y238-I242 HydrophobicContact CD1-CD1 3.77Å; Y238-I242 HydrophobicContact CE1-CD1 3.15Å; Y238-I242 HydrophobicContact CE1-CG1 4.24Å; Y238-I242 HydrophobicContact CE2-CD1 4.04Å; Y238-I242 HydrophobicContact CE2-CG1 4.37Å; Y238-I242 HydrophobicContact CG-CD1 4.45Å; Y238-I242 PolarHBondContact O-N 3.5Å; Y238-I242 WeakPolarHBondContact OH-CD1 3.11Å; Y238-F251 AromaticContact CE2-CD1 3.85Å; Y238-F251 HydrophobicContact CE2-CD1 3.85Å; Y238-F251 AromaticContact CE2-CE1 3.89Å; Y238-F251 HydrophobicContact CE2-CE1 3.89Å; Y238-F251 HydrophobicContact CE2-CG 4.26Å; Y238-F251 HydrophobicContact CE2-CZ 4.3Å; Y238-F251 AromaticContact CZ-CD1 3.91Å; Y238-F251 AromaticContact CZ-CG 3.94Å; Y238-F251 WeakPolarHBondContact OH-CB 3.11Å; Y238-F251 WeakPolarHBondContact OH-CD1 3.49Å; Y238-F251 WeakPolarHBondContact OH-CG 3.5Å
239N82.6Confident75.9Confident86 Ų8660.9 Ų60.946%0.4631%0.314SS..Hα-helixtrans-64.2-39.1174.1-71.1-34.4000111.9Q235 H236 S243Q235-N239 VanDerWaalsContact O-CG 3.31Å; Q235-N239 PolarHBondContact O-N 2.92Å; Q235-N239 PolarHBondContact O-ND2 3.05Å; Q235-N239 VanDerWaalsContact O-ND2 3.12Å; H236-N239 PolarHBondContact O-N 3.16Å; N239-S243 VanDerWaalsContact O-CB 3.3Å; N239-S243 WeakPolarHBondContact O-CB 3.08Å; N239-S243 PolarHBondContact O-N 2.95Å; N239-S243 VanDerWaalsContact O-N 3.1Å; N239-S243 PolarHBondContact O-OG 3.29Å
240L79.9Confident74.4Confident38 Ų3864.8 Ų64.820%0.19934%0.344CS..Hα-helixtrans-59.7-49.3172-66.5173.3000110.1L25 H236 L237 Y238 I242 S243 F244L25-L240 HydrophobicContact CD1-CD1 4.47Å; H236-L240 WeakPolarHBondContact O-CG 3.26Å; H236-L240 PolarHBondContact O-N 3.23Å; L237-L240 HydrophobicContact CD2-CD1 4.32Å; L237-L240 WeakPolarHBondContact O-CB 3.07Å; L237-L240 PolarHBondContact O-N 2.94Å; Y238-L240 VanDerWaalsContact C-N 3.33Å; Y238-L240 PolarHBondContact O-N 3.3Å; L240-I242 PolarHBondContact O-N 2.88Å; L240-S243 PolarHBondContact O-N 3.25Å; L240-S243 VanDerWaalsContact O-N 3.11Å; L240-S243 PolarHBondContact O-OG 3.26Å; L240-F244 HydrophobicContact CB-CD2 4.38Å; L240-F244 HydrophobicContact CB-CE2 4.49Å; L240-F244 HydrophobicContact CD2-CE2 4.01Å; L240-F244 WeakPolarHBondContact O-CD2 3.42Å; L240-F244 PolarHBondContact O-N 2.59Å
241L78Confident73.1Confident8 Ų864.4 Ų64.44%0.04234%0.338CS..Hα-helixtrans-54.3-52.7179.6173.657.9000112.7L68 H69 L80 I123 L237 Y238 S243 F244 D245 L246L68-L241 HydrophobicContact CB-CD2 4.49Å; L68-L241 HydrophobicContact CD2-CB 4.35Å; L68-L241 HydrophobicContact CD2-CD2 3.77Å; H69-L241 WeakPolarHBondContact CE1-CD1 3.36Å; H69-L241 WeakPolarHBondContact NE2-CD1 3.25Å; L80-L241 HydrophobicContact CD2-CD2 4.39Å; I123-L241 HydrophobicContact CD1-CD2 4.36Å; L237-L241 WeakPolarHBondContact O-CB 3.23Å; L237-L241 PolarHBondContact O-N 2.67Å; Y238-L241 WeakPolarHBondContact O-CB 3.49Å; Y238-L241 PolarHBondContact O-N 2.96Å; L241-S243 VanDerWaalsContact C-N 3.26Å; L241-S243 PolarHBondContact O-N 3.45Å; L241-F244 PolarHBondContact O-N 3.41Å; L241-D245 HydrophobicContact CD1-CB 4.03Å; L241-D245 PolarHBondContact O-N 3.01Å; L241-L246 HydrophobicContact CD1-CD1 3.95Å; L241-L246 HydrophobicContact CD1-CG 4.34Å; L241-L246 HydrophobicContact CD2-CD1 4.01Å; L241-L246 HydrophobicContact CG-CD1 3.7Å; L241-L246 HydrophobicContact CG-CG 4.48Å
242I75.6Confident71.6Confident42 Ų4263.9 Ų63.922%0.21534%0.337CS..Hα-helixtrans-61.4-39.9179.5-64.4164.2000111Y238 L240 F244 L246 K247 F251Y238-I242 HydrophobicContact CD1-CD1 3.77Å; Y238-I242 HydrophobicContact CE1-CD1 3.15Å; Y238-I242 HydrophobicContact CE1-CG1 4.24Å; Y238-I242 HydrophobicContact CE2-CD1 4.04Å; Y238-I242 HydrophobicContact CE2-CG1 4.37Å; Y238-I242 HydrophobicContact CG-CD1 4.45Å; Y238-I242 PolarHBondContact O-N 3.5Å; Y238-I242 WeakPolarHBondContact OH-CD1 3.11Å; L240-I242 PolarHBondContact O-N 2.88Å; I242-F244 VanDerWaalsContact C-N 3.31Å; I242-F244 PolarHBondContact O-N 2.62Å; I242-L246 CarbonylContact O-C 3.54Å; I242-K247 PolarHBondContact O-N 3.31Å; I242-F251 HydrophobicContact CD1-CD2 4.04Å; I242-F251 HydrophobicContact CD1-CG 4.47Å; I242-F251 HydrophobicContact CG1-CD2 3.78Å; I242-F251 HydrophobicContact CG1-CE2 3.8Å
243S70.7Confident70Confident53 Ų5365.2 Ų65.237%0.37134%0.339SS..Hα-helixtrans-67.6-29.7-176.877.30000113.6N239 L240 L241 K247N239-S243 VanDerWaalsContact O-CB 3.3Å; N239-S243 WeakPolarHBondContact O-CB 3.08Å; N239-S243 PolarHBondContact O-N 2.95Å; N239-S243 VanDerWaalsContact O-N 3.1Å; N239-S243 PolarHBondContact O-OG 3.29Å; L240-S243 PolarHBondContact O-N 3.25Å; L240-S243 VanDerWaalsContact O-N 3.11Å; L240-S243 PolarHBondContact O-OG 3.26Å; L241-S243 VanDerWaalsContact C-N 3.26Å; L241-S243 PolarHBondContact O-N 3.45Å; S243-K247 WeakPolarHBondContact O-CE 3.48Å
244F64.4Low68.3Low119 Ų11963.6 Ų63.652%0.52233%0.333SS..Hα-helixtrans-99.8-51.9-174.7-74.4-66.1000113.4L240 L241 I242L240-F244 HydrophobicContact CB-CD2 4.38Å; L240-F244 HydrophobicContact CB-CE2 4.49Å; L240-F244 HydrophobicContact CD2-CE2 4.01Å; L240-F244 WeakPolarHBondContact O-CD2 3.42Å; L240-F244 PolarHBondContact O-N 2.59Å; L241-F244 PolarHBondContact O-N 3.41Å; I242-F244 VanDerWaalsContact C-N 3.31Å; I242-F244 PolarHBondContact O-N 2.62Å
245D59.2Low66.7Low93 Ų9368.9 Ų68.950%0.49736%0.356SS..Hα-helixtrans-103.5-18.7-166-71.1-35.4000113.7H69 L241H69-D245 IonicContact CE1-OD2 3.66Å; H69-D245 PolarHBondContact CE1-OD2 3.01Å; L241-D245 HydrophobicContact CD1-CB 4.03Å; L241-D245 PolarHBondContact O-N 3.01Å
246L61.4Low65.1Low13 Ų1372.1 Ų72.17%0.06837%0.371CS..  trans-131.128.9-163.2-50.4171.6000113.1I119 I123 L241 I242 D248 L249 F251I119-L246 HydrophobicContact CG2-CD1 4.02Å; I119-L246 HydrophobicContact CG2-CD2 4.32Å; I123-L246 HydrophobicContact CD1-CD1 3.53Å; I123-L246 HydrophobicContact CD1-CD2 3.96Å; I123-L246 HydrophobicContact CD1-CG 4.38Å; I123-L246 HydrophobicContact CG1-CD1 4.38Å; I123-L246 HydrophobicContact CG1-CD2 3.9Å; L241-L246 HydrophobicContact CD1-CD1 3.95Å; L241-L246 HydrophobicContact CD1-CG 4.34Å; L241-L246 HydrophobicContact CD2-CD1 4.01Å; L241-L246 HydrophobicContact CG-CD1 3.7Å; L241-L246 HydrophobicContact CG-CG 4.48Å; I242-L246 CarbonylContact O-C 3.54Å; L246-D248 PolarHBondContact O-N 3.45Å; L246-L249 HydrophobicContact CB-CB 4.21Å; L246-L249 HydrophobicContact CB-CD1 4.18Å; L246-L249 HydrophobicContact CD2-CD1 3.55Å; L246-L249 HydrophobicContact CG-CD1 4.39Å; L246-L249 PolarHBondContact O-N 3.43Å; L246-F251 HydrophobicContact CB-CE2 4.17Å; L246-F251 HydrophobicContact CD1-CE2 3.39Å; L246-F251 HydrophobicContact CD1-CZ 3.42Å; L246-F251 VanDerWaalsContact CD1-CZ 3.42Å; L246-F251 HydrophobicContact CG-CE2 4.42Å
247K57.7Low63.6Low166 Ų16667.2 Ų67.272%0.72235%0.349SS*.THydrogen-bonded Turntrans-52.1-26.1-179.8-67.3-172.6-178.9179.90113.9I242 S243I242-K247 PolarHBondContact O-N 3.31Å; S243-K247 WeakPolarHBondContact O-CE 3.48Å
248D56.5Low62Low162 Ų16267.8 Ų67.887%0.86635%0.353SS*.THydrogen-bonded Turntrans-955.4-179.8-60.8-33.6000114L246L246-D248 PolarHBondContact O-N 3.45Å
249L54.5Low60.3Low49 Ų4972.6 Ų72.626%0.25739%0.387SS..  trans-122.1122.8-175.5-64.2166.2000111.1I119 L246I119-L249 HydrophobicContact CD1-CB 3.79Å; I119-L249 HydrophobicContact CG1-CB 4.08Å; I119-L249 HydrophobicContact CG1-CD1 4.18Å; I119-L249 HydrophobicContact CG1-CD2 4.17Å; I119-L249 HydrophobicContact CG1-CG 4.37Å; I119-L249 HydrophobicContact CG2-CD1 3.94Å; L246-L249 HydrophobicContact CB-CB 4.21Å; L246-L249 HydrophobicContact CB-CD1 4.18Å; L246-L249 HydrophobicContact CD2-CD1 3.55Å; L246-L249 HydrophobicContact CG-CD1 4.39Å; L246-L249 PolarHBondContact O-N 3.43Å
250S51.9Low59Low102 Ų10272.5 Ų72.571%0.71339%0.386SS*.PPolyproline II helixtrans-83.3123.1175.358.40000110.6P85 I119P85-S250 WeakPolarHBondContact CG-O 3.47Å; I119-S250 WeakPolarHBondContact CD1-O 3.49Å
251F54.3Low57.9Low24 Ų2472.8 Ų72.811%0.10539%0.386CS..PPolyproline II helixtrans-100.7158.3165.6-71.2-103.3000111.1H83 I119 Y238 I242 L246H83-F251 HydrophobicContact CB-CB 4.33Å; H83-F251 HydrophobicContact CB-CD1 3.82Å; H83-F251 VanDerWaalsContact O-CD1 3.27Å; H83-F251 WeakPolarHBondContact O-CD1 3.31Å; I119-F251 HydrophobicContact CB-CE1 4.28Å; I119-F251 HydrophobicContact CB-CZ 4.14Å; I119-F251 HydrophobicContact CD1-CD1 4.01Å; I119-F251 HydrophobicContact CD1-CD2 3.8Å; I119-F251 HydrophobicContact CD1-CE1 4.02Å; I119-F251 HydrophobicContact CD1-CE2 3.79Å; I119-F251 HydrophobicContact CD1-CG 3.92Å; I119-F251 HydrophobicContact CD1-CZ 3.92Å; I119-F251 HydrophobicContact CG2-CE1 3.94Å; I119-F251 HydrophobicContact CG2-CE2 3.92Å; I119-F251 HydrophobicContact CG2-CZ 3.36Å; Y238-F251 AromaticContact CE2-CD1 3.85Å; Y238-F251 HydrophobicContact CE2-CD1 3.85Å; Y238-F251 AromaticContact CE2-CE1 3.89Å; Y238-F251 HydrophobicContact CE2-CE1 3.89Å; Y238-F251 HydrophobicContact CE2-CG 4.26Å; Y238-F251 HydrophobicContact CE2-CZ 4.3Å; Y238-F251 AromaticContact CZ-CD1 3.91Å; Y238-F251 AromaticContact CZ-CG 3.94Å; Y238-F251 WeakPolarHBondContact OH-CB 3.11Å; Y238-F251 WeakPolarHBondContact OH-CD1 3.49Å; Y238-F251 WeakPolarHBondContact OH-CG 3.5Å; I242-F251 HydrophobicContact CD1-CD2 4.04Å; I242-F251 HydrophobicContact CD1-CG 4.47Å; I242-F251 HydrophobicContact CG1-CD2 3.78Å; I242-F251 HydrophobicContact CG1-CE2 3.8Å; L246-F251 HydrophobicContact CB-CE2 4.17Å; L246-F251 HydrophobicContact CD1-CE2 3.39Å; L246-F251 HydrophobicContact CD1-CZ 3.42Å; L246-F251 VanDerWaalsContact CD1-CZ 3.42Å; L246-F251 HydrophobicContact CG-CE2 4.42Å
252C52Low56.6Low30 Ų3075.6 Ų75.620%0.20340%0.4CS..PPolyproline II helixtrans-78.6128171.2-173.90000109.7H83 D254H83-C252 PolarHBondContact CD2-O 3.42Å; H83-C252 PolarHBondContact O-N 3.49Å; C252-D254 VanDerWaalsContact C-N 3.33Å; C252-D254 PolarHBondContact O-N 2.08Å
253N51.2Low55.4Low106 Ų10678.3 Ų78.357%0.56742%0.415SS*.  trans-91.234.4-176.4-74.9-17.2000113.7F255N253-F255 HydrophobicContact CB-CE2 4.4Å; N253-F255 WeakPolarHBondContact O-CD2 3.44Å; N253-F255 WeakPolarHBondContact O-CE2 3.27Å; N253-F255 PolarHBondContact O-N 3.28Å
254D52.1Low54.5Low67 Ų6783.8 Ų83.836%0.35843%0.434SS..  trans-84.4114.7-178.2-86.3-15.8000111.8R92 C252 E256R92-D254 IonicContact CZ-OD2 2.87Å; R92-D254 VanDerWaalsContact CZ-OD2 3.3Å; R92-D254 IonicContact NE-OD2 3.47Å; R92-D254 PolarHBondContact NE-OD2 2.75Å; R92-D254 VanDerWaalsContact NE-OD2 3.17Å; R92-D254 IonicContact NH2-OD1 2.71Å; R92-D254 PolarHBondContact NH2-OD1 3Å; R92-D254 IonicContact NH2-OD2 3.3Å; R92-D254 PolarHBondContact NH2-OD2 2.96Å; C252-D254 VanDerWaalsContact C-N 3.33Å; C252-D254 PolarHBondContact O-N 2.08Å; D254-E256 PolarHBondContact O-N 3.49Å
255F53.3Low54.3Low111 Ų11186.3 Ų86.349%0.48745%0.445SS..  trans-90.115.4-167-77.8-77.3000116.8Y79 Q235 N253 V257Y79-F255 WeakPolarHBondContact OH-CE1 3.45Å; Q235-F255 HydrophobicContact CG-CE1 4.35Å; N253-F255 HydrophobicContact CB-CE2 4.4Å; N253-F255 WeakPolarHBondContact O-CD2 3.44Å; N253-F255 WeakPolarHBondContact O-CE2 3.27Å; N253-F255 PolarHBondContact O-N 3.28Å; F255-V257 PolarHBondContact O-N 2.84Å
256E52.9Low54.5Low120 Ų12084.6 Ų84.656%0.56144%0.436SS*.  trans-92.281.9177.2-75.9-179.5159.700111.3R92 D254R92-E256 IonicContact NH1-OE2 3.88Å; R92-E256 PolarHBondContact NH1-OE2 3.11Å; D254-E256 PolarHBondContact O-N 3.49Å
257V54.7Low55.3Low8 Ų889.7 Ų89.75%0.04846%0.463CS..  trans-134.1101.2176.8-169.80000112.5A78 Y79 N82 F255A78-V257 HydrophobicContact CB-CG1 4.18Å; Y79-V257 HydrophobicContact CD2-CB 4.48Å; N82-V257 HydrophobicContact CB-CG2 3.51Å; N82-V257 VanDerWaalsContact CG-CG2 3.46Å; N82-V257 WeakPolarHBondContact ND2-CG1 3.29Å; N82-V257 WeakPolarHBondContact ND2-CG2 3.41Å; F255-V257 PolarHBondContact O-N 2.84Å
258V54.1Low56.6Low25 Ų2586.8 Ų86.815%0.15245%0.452CS..  trans63.8100.2146.6-167.50000119.6L260 F261V258-L260 VanDerWaalsContact C-N 3.31Å; V258-L260 HydrophobicContact CG1-CB 3.6Å; V258-L260 HydrophobicContact CG1-CD1 4.01Å; V258-L260 HydrophobicContact CG1-CG 4.34Å; V258-F261 HydrophobicContact CB-CD2 3.77Å; V258-F261 HydrophobicContact CB-CE2 3.8Å; V258-F261 HydrophobicContact CG1-CD2 3.21Å; V258-F261 HydrophobicContact CG1-CE2 3.32Å; V258-F261 HydrophobicContact CG1-CG 3.99Å; V258-F261 HydrophobicContact CG1-CZ 4.16Å; V258-F261 HydrophobicContact CG2-CD2 4.44Å; V258-F261 HydrophobicContact CG2-CE2 3.95Å
259S50Low58.1Low103 Ų10380.3 Ų80.372%0.7242%0.419SS*.SBendtrans-73.4-15.115951.30000114M262S259-M262 WeakPolarHBondContact O-CB 3.33Å; S259-M262 PolarHBondContact O-N 2.93Å
260L54.9Low59.8Low84 Ų8480.4 Ų80.444%0.4442%0.418SS..THydrogen-bonded Turntrans-74-28-171.4-66.8125.3000115N96 V258 M262N96-L260 HydrophobicContact CB-CD1 4.3Å; N96-L260 HydrophobicContact CB-CD2 4.27Å; N96-L260 WeakPolarHBondContact OD1-CD1 3.44Å; V258-L260 VanDerWaalsContact C-N 3.31Å; V258-L260 HydrophobicContact CG1-CB 3.6Å; V258-L260 HydrophobicContact CG1-CD1 4.01Å; V258-L260 HydrophobicContact CG1-CG 4.34Å; L260-M262 PolarHBondContact O-N 3.12Å
261F55.9Low61.8Low44 Ų4475.5 Ų75.519%0.19339%0.385CS..THydrogen-bonded Turntrans-80.2-7.1176.7-56.5-59.9000112.6P74 L75 A78 T102 V258 N263P74-F261 HydrophobicContact CB-CD1 3.86Å; P74-F261 HydrophobicContact CB-CE1 3.77Å; P74-F261 HydrophobicContact CB-CG 4.49Å; P74-F261 HydrophobicContact CB-CZ 4.32Å; L75-F261 HydrophobicContact CB-CB 4.44Å; L75-F261 HydrophobicContact CB-CD2 4.43Å; L75-F261 HydrophobicContact CD1-CB 4.37Å; L75-F261 HydrophobicContact CD1-CD2 3.98Å; A78-F261 HydrophobicContact CB-CD2 4.44Å; A78-F261 HydrophobicContact CB-CE2 3.51Å; A78-F261 HydrophobicContact CB-CZ 4.13Å; T102-F261 HydrophobicContact CG2-CE1 4.44Å; T102-F261 HydrophobicContact CG2-CE2 4.49Å; T102-F261 HydrophobicContact CG2-CZ 3.83Å; T102-F261 WeakPolarHBondContact OG1-CE1 3.48Å; T102-F261 WeakPolarHBondContact OG1-CZ 3.42Å; V258-F261 HydrophobicContact CB-CD2 3.77Å; V258-F261 HydrophobicContact CB-CE2 3.8Å; V258-F261 HydrophobicContact CG1-CD2 3.21Å; V258-F261 HydrophobicContact CG1-CE2 3.32Å; V258-F261 HydrophobicContact CG1-CG 3.99Å; V258-F261 HydrophobicContact CG1-CZ 4.16Å; V258-F261 HydrophobicContact CG2-CD2 4.44Å; V258-F261 HydrophobicContact CG2-CE2 3.95Å; F261-N263 PolarHBondContact O-N 3.43Å; F261-N263 VanDerWaalsContact O-N 3.15Å
262M51.6Low63.8Low67 Ų6774.4 Ų74.433%0.3338%0.38SS..  trans-87.546.2176.9-63.8-85.5-178.900110.5L75 L231 S259 L260 E264L75-M262 HydrophobicContact CD2-CE 4.48Å; L231-M262 HydrophobicContact CB-CE 3.78Å; S259-M262 WeakPolarHBondContact O-CB 3.33Å; S259-M262 PolarHBondContact O-N 2.93Å; L260-M262 PolarHBondContact O-N 3.12Å; M262-E264 PolarHBondContact O-N 2.67Å
263N50.7Low65.9Low99 Ų9973 Ų7353%0.52937%0.37SS..  trans-68.8109.6170.2-117.1-5.5000107.8F261 K265F261-N263 PolarHBondContact O-N 3.43Å; F261-N263 VanDerWaalsContact O-N 3.15Å; N263-K265 PolarHBondContact O-N 3.07Å
264E51.8Low68Low167 Ų16768 Ų6878%0.7834%0.344SS*.THydrogen-bonded Turntrans-62.9-16.2-169-74.1-169.1150.400114.6M262M262-E264 PolarHBondContact O-N 2.67Å
265K59.9Low70Confident173 Ų17365 Ų6575%0.75233%0.327SS*.THydrogen-bonded Turntrans-91.6-21.1-169.6-64.4-174.5179.1179.40115.4N263N263-K265 PolarHBondContact O-N 3.07Å
266N63.4Low72Confident57 Ų5760.3 Ų60.331%0.30531%0.307SS..  trans-97.6117.9-175.5-73.4-13.2000111.7H268 N428N266-H268 PolarHBondContact O-N 3.36Å; N266-N428 PolarHBondContact ND2-ND2 3.5Å; N266-N428 PolarHBondContact ND2-OD1 3.29Å
267N76.9Confident74Confident119 Ų11955.2 Ų55.264%0.63628%0.283SS*.SBendtrans-79.39.4173.2-70.3-24.7000113.4P226 F227P226-N267 CarbonylContact C-O 3.49Å; F227-N267 PolarHBondContact N-O 3.36Å
268H85.9Confident75.9Confident105 Ų10555.3 Ų55.349%0.48628%0.283SS..  trans-128.8147.3-177.4-6671000110.4C225 N266C225-H268 CarbonylContact O-C 3.56Å; C225-H268 WeakPolarHBondContact O-CA 3.11Å; N266-H268 PolarHBondContact O-N 3.36Å
269T87.1Confident77.9Confident27 Ų2754.1 Ų54.117%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-125138.4169.2-176.20000109.3T73 C225 F227T73-T269 HydrophobicContact CG2-CG2 4.04Å; C225-T269 HydrophobicContact CB-CG2 4.19Å; C225-T269 WeakPolarHBondContact CB-O 3.43Å; C225-T269 PolarHBondContact N-O 3.29Å; C225-T269 PolarHBondContact O-N 3.14Å; F227-T269 HydrophobicContact CD1-CG2 4.1Å; F227-T269 HydrophobicContact CE1-CG2 3.67Å; F227-T269 HydrophobicContact CE2-CG2 4.33Å; F227-T269 HydrophobicContact CZ-CG2 3.81Å
270I90.8Very high80Confident50 Ų5050.6 Ų50.626%0.25625%0.249SC..EExtended strand (participates in β ladder)trans-71.9147.3166.267.4168.4000109.1P74 L100 L103 C222 V223P74-I270 WeakPolarHBondContact CD-O 3.33Å; P74-I270 HydrophobicContact CG-CG1 3.96Å; L100-I270 HydrophobicContact CB-CD1 4.24Å; L100-I270 HydrophobicContact CD1-CD1 4Å; L103-I270 HydrophobicContact CD1-CD1 3.94Å; L103-I270 HydrophobicContact CD1-CG1 4.03Å; C222-I270 VanDerWaalsContact SG-CB 3.59Å; V223-I270 CarbonylContact O-C 3.55Å; V223-I270 WeakPolarHBondContact O-CA 3.28Å
271S93.9Very high81.8Confident0 Ų047 Ų470%023%0.23CC..EExtended strand (participates in β ladder)trans-150.5153.1179-52.70000112.5L72 C222 V223L72-S271 CarbonylContact O-C 3.56Å; L72-S271 VanDerWaalsContact O-CA 3.23Å; L72-S271 WeakPolarHBondContact O-CA 3.38Å; C222-S271 WeakPolarHBondContact CA-O 3.39Å; C222-S271 VanDerWaalsContact SG-C 3.53Å; C222-S271 PolarHBondContact SG-N 3.15Å; C222-S271 VanDerWaalsContact SG-N 3.37Å; C222-S271 PolarHBondContact SG-O 2.92Å; V223-S271 PolarHBondContact N-O 3.06Å; V223-S271 PolarHBondContact O-N 3.15Å
272L96.4Very high83.5Confident1 Ų146.6 Ų46.61%0.00523%0.23CC..BIsolated β-bridgetrans-94.8131157.5-71.5170.5000108.8L72 M107 V218 R221 C222L72-L272 HydrophobicContact CB-CB 4.08Å; L72-L272 WeakPolarHBondContact CB-O 3.43Å; L72-L272 HydrophobicContact CD1-CB 4.25Å; L72-L272 PolarHBondContact N-O 3.22Å; L72-L272 PolarHBondContact O-N 3.26Å; M107-L272 HydrophobicContact CG-CD1 3.66Å; M107-L272 HydrophobicContact SD-CD1 3.81Å; V218-L272 HydrophobicContact CG2-CD1 4.2Å; R221-L272 HydrophobicContact CB-CD2 3.77Å; C222-L272 HydrophobicContact CB-CD2 4.36Å
273I96Very high85.2Confident1 Ų144.6 Ų44.61%0.00522%0.22CC..  trans-124100.6-179.4-59.1179.1000107.2Y61 V63 L70 V71 V223 F275 F276 D277 L298Y61-I273 WeakPolarHBondContact OH-CG2 3.34Å; V63-I273 HydrophobicContact CG1-CG2 4.23Å; V63-I273 HydrophobicContact CG2-CG2 4.35Å; L70-I273 WeakPolarHBondContact O-CA 3.35Å; L70-I273 WeakPolarHBondContact O-CG2 3.44Å; V71-I273 HydrophobicContact CG1-CD1 4.43Å; V71-I273 HydrophobicContact CG1-CG1 4.17Å; V71-I273 HydrophobicContact CG2-CD1 4.45Å; V71-I273 HydrophobicContact CG2-CG1 4.29Å; V223-I273 HydrophobicContact CG1-CD1 3.83Å; V223-I273 HydrophobicContact CG1-CG1 4.14Å; I273-F275 PolarHBondContact O-N 3.05Å; I273-F276 HydrophobicContact CB-CB 3.71Å; I273-F276 HydrophobicContact CB-CG 4.34Å; I273-F276 HydrophobicContact CG2-CB 3.45Å; I273-F276 VanDerWaalsContact CG2-CB 3.45Å; I273-F276 HydrophobicContact CG2-CG 4.31Å; I273-F276 WeakPolarHBondContact O-CB 3.39Å; I273-F276 PolarHBondContact O-N 3.45Å; I273-F276 VanDerWaalsContact O-N 3.12Å; I273-D277 PolarHBondContact O-N 2.56Å; I273-L298 HydrophobicContact CD1-CD1 4.05Å
274P95.2Very high86.9Confident1 Ų143 Ų431%0.00621%0.211CC..THydrogen-bonded Turntrans-49.6137.3174.3-29.136.6000111.2F15 W18 L19 L70 Y127 F276F15-P274 HydrophobicContact CE2-CB 4.07Å; F15-P274 HydrophobicContact CZ-CB 4.07Å; W18-P274 HydrophobicContact CH2-CB 4.31Å; W18-P274 HydrophobicContact CH2-CG 4.13Å; W18-P274 HydrophobicContact CZ3-CB 3.88Å; W18-P274 HydrophobicContact CZ3-CG 4.21Å; L19-P274 HydrophobicContact CD2-CB 4.39Å; L70-P274 VanDerWaalsContact O-CD 3.27Å; L70-P274 WeakPolarHBondContact O-CD 3.36Å; Y127-P274 HydrophobicContact CD1-CB 4.49Å; Y127-P274 HydrophobicContact CD1-CG 3.92Å; Y127-P274 HydrophobicContact CD2-CB 3.72Å; Y127-P274 HydrophobicContact CD2-CG 4.05Å; Y127-P274 HydrophobicContact CE1-CG 4.01Å; Y127-P274 HydrophobicContact CE2-CB 3.92Å; Y127-P274 HydrophobicContact CE2-CG 4.15Å; Y127-P274 HydrophobicContact CG-CB 4.03Å; Y127-P274 HydrophobicContact CG-CG 3.94Å; P274-F276 PolarHBondContact O-N 3.34Å
275F94.7Very high88.6Confident4 Ų435.1 Ų35.12%0.01817%0.174CC..THydrogen-bonded Turntrans79.9-42.7-174.1-167.9-90.6000114.3F15 L19 R32 L35 I37 L48 Y61 I273 D277 F278F15-F275 HydrophobicContact CE1-CB 4.47Å; F15-F275 HydrophobicContact CE1-CD2 4.41Å; F15-F275 HydrophobicContact CZ-CB 4.34Å; L19-F275 HydrophobicContact CD1-CB 3.85Å; L19-F275 HydrophobicContact CD1-CD2 3.62Å; L19-F275 HydrophobicContact CD1-CG 4.08Å; L19-F275 HydrophobicContact CD2-CB 4.41Å; R32-F275 HydrophobicContact CB-CD1 4.48Å; R32-F275 HydrophobicContact CB-CE1 3.84Å; R32-F275 HydrophobicContact CB-CE2 4.49Å; R32-F275 HydrophobicContact CB-CZ 3.84Å; R32-F275 HydrophobicContact CG-CD1 3.75Å; R32-F275 HydrophobicContact CG-CE1 3.61Å; R32-F275 HydrophobicContact CG-CE2 4.45Å; R32-F275 HydrophobicContact CG-CG 4.23Å; R32-F275 HydrophobicContact CG-CZ 3.97Å; L35-F275 HydrophobicContact CB-CE1 4.21Å; L35-F275 HydrophobicContact CB-CZ 4.13Å; L35-F275 HydrophobicContact CD1-CE1 4.32Å; I37-F275 HydrophobicContact CD1-CD2 4.12Å; I37-F275 HydrophobicContact CD1-CE2 4.16Å; I37-F275 HydrophobicContact CG1-CD2 4.3Å; I37-F275 HydrophobicContact CG1-CE2 3.95Å; L48-F275 HydrophobicContact CD1-CD1 4.27Å; L48-F275 HydrophobicContact CD1-CE1 3.97Å; L48-F275 HydrophobicContact CD1-CZ 4.47Å; L48-F275 HydrophobicContact CD2-CE1 4.08Å; L48-F275 HydrophobicContact CD2-CE2 4.01Å; L48-F275 HydrophobicContact CD2-CZ 3.75Å; Y61-F275 HydrophobicContact CD2-CD1 4.04Å; Y61-F275 HydrophobicContact CD2-CE1 4.11Å; Y61-F275 AromaticContact CE2-CD1 3.57Å; Y61-F275 HydrophobicContact CE2-CD1 3.57Å; Y61-F275 HydrophobicContact CE2-CE1 4.07Å; I273-F275 PolarHBondContact O-N 3.05Å; F275-D277 VanDerWaalsContact C-N 3.27Å; F275-D277 PolarHBondContact N-OD1 3.01Å; F275-D277 PolarHBondContact O-N 2.9Å; F275-F278 WeakPolarHBondContact O-CB 3.38Å; F275-F278 PolarHBondContact O-N 2.97Å
276F95.6Very high89.9Confident11 Ų1130.5 Ų30.55%0.04816%0.162CC..G310 helixtrans-63.9-36.4175.3-179.7-84.2000111.3Y61 V223 I273 P274 F278 F279 L289 L300 I314Y61-F276 AromaticContact CD1-CD2 3.83Å; Y61-F276 HydrophobicContact CD1-CD2 3.83Å; Y61-F276 HydrophobicContact CE1-CB 3.98Å; Y61-F276 AromaticContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CG 4.31Å; V223-F276 HydrophobicContact CB-CD1 4.48Å; V223-F276 HydrophobicContact CB-CE1 3.93Å; V223-F276 HydrophobicContact CG1-CD1 4.11Å; V223-F276 HydrophobicContact CG1-CE1 3.96Å; V223-F276 HydrophobicContact CG2-CE1 3.75Å; V223-F276 HydrophobicContact CG2-CZ 4.11Å; I273-F276 HydrophobicContact CB-CB 3.71Å; I273-F276 HydrophobicContact CB-CG 4.34Å; I273-F276 HydrophobicContact CG2-CB 3.45Å; I273-F276 VanDerWaalsContact CG2-CB 3.45Å; I273-F276 HydrophobicContact CG2-CG 4.31Å; I273-F276 WeakPolarHBondContact O-CB 3.39Å; I273-F276 PolarHBondContact O-N 3.45Å; I273-F276 VanDerWaalsContact O-N 3.12Å; P274-F276 PolarHBondContact O-N 3.34Å; F276-F278 PolarHBondContact O-N 2.79Å; F276-F279 AromaticContact CD2-CD2 3.96Å; F276-F279 HydrophobicContact CD2-CD2 3.96Å; F276-F279 AromaticContact CD2-CE2 3.87Å; F276-F279 HydrophobicContact CD2-CE2 3.87Å; F276-F279 HydrophobicContact CE2-CD2 4.21Å; F276-F279 HydrophobicContact CE2-CE2 4.25Å; F276-F279 HydrophobicContact CG-CD2 4.18Å; F276-F279 HydrophobicContact CG-CE2 4.4Å; F276-F279 WeakPolarHBondContact O-CD2 3.48Å; F276-F279 PolarHBondContact O-N 3.26Å; F276-L289 HydrophobicContact CE2-CD1 4.04Å; F276-L289 HydrophobicContact CZ-CD2 4.35Å; F276-L300 HydrophobicContact CE2-CB 4.44Å; F276-L300 HydrophobicContact CE2-CD1 4.29Å; F276-L300 HydrophobicContact CE2-CD2 4.06Å; F276-I314 HydrophobicContact CE1-CD1 4.08Å; F276-I314 HydrophobicContact CZ-CD1 4.02Å
277D94.9Very high91.2Very high13 Ų1329.7 Ų29.77%0.0716%0.159CC..G310 helixtrans-67.44.5177.671.4-29.4000114.9Y127 R221 I273 F275Y127-D277 WeakPolarHBondContact CE2-OD2 3.38Å; Y127-D277 PolarHBondContact OH-OD2 3.17Å; R221-D277 HydrophobicContact CB-CB 4.01Å; R221-D277 HydrophobicContact CG-CB 4.32Å; R221-D277 IonicContact CZ-OD2 3.27Å; R221-D277 VanDerWaalsContact NH1-CG 3.26Å; R221-D277 PolarHBondContact NH1-O 3.31Å; R221-D277 IonicContact NH1-OD2 2.75Å; R221-D277 PolarHBondContact NH1-OD2 2.89Å; I273-D277 PolarHBondContact O-N 2.56Å; F275-D277 VanDerWaalsContact C-N 3.27Å; F275-D277 PolarHBondContact N-OD1 3.01Å; F275-D277 PolarHBondContact O-N 2.9Å
278F94.6Very high92Very high10 Ų1026 Ų264%0.04415%0.145CC..G310 helixtrans-92.5-8.6170.3-70.1-114.8000112.7F15 I37 R46 G47 L48 V130 F275 F276 N280F15-F278 HydrophobicContact CD1-CZ 4.45Å; F15-F278 AromaticContact CE1-CE2 3.8Å; F15-F278 HydrophobicContact CE1-CE2 3.8Å; F15-F278 AromaticContact CE1-CZ 3.89Å; F15-F278 HydrophobicContact CE1-CZ 3.89Å; F15-F278 HydrophobicContact CZ-CE2 4.12Å; I37-F278 HydrophobicContact CD1-CD1 4.05Å; I37-F278 HydrophobicContact CD1-CE1 3.82Å; I37-F278 HydrophobicContact CD1-CZ 4.22Å; I37-F278 HydrophobicContact CG1-CD1 4.07Å; I37-F278 HydrophobicContact CG1-CE1 4.32Å; I37-F278 HydrophobicContact CG2-CD1 4Å; I37-F278 HydrophobicContact CG2-CE1 4.11Å; R46-F278 HydrophobicContact CG-CD1 3.9Å; R46-F278 HydrophobicContact CG-CE1 4.14Å; G47-F278 WeakPolarHBondContact CA-O 3.04Å; L48-F278 HydrophobicContact CD1-CB 4.2Å; L48-F278 HydrophobicContact CD2-CB 3.95Å; L48-F278 HydrophobicContact CG-CB 3.76Å; V130-F278 HydrophobicContact CB-CZ 4.03Å; V130-F278 HydrophobicContact CG2-CE2 4.36Å; V130-F278 HydrophobicContact CG2-CZ 3.71Å; F275-F278 WeakPolarHBondContact O-CB 3.38Å; F275-F278 PolarHBondContact O-N 2.97Å; F276-F278 PolarHBondContact O-N 2.79Å; F278-N280 PolarHBondContact O-N 3.1Å
279F95.4Very high92.3Very high1 Ų122.8 Ų22.80%0.00413%0.131CC..PPolyproline II helixtrans-66.7128.3171-72.3-68.8000110L35 L48 F276 L300 V312 I314 Y316L35-F279 HydrophobicContact CD1-CE1 3.97Å; L35-F279 HydrophobicContact CD1-CZ 3.47Å; L35-F279 VanDerWaalsContact CD1-CZ 3.47Å; L35-F279 HydrophobicContact CD2-CE1 4.45Å; L48-F279 HydrophobicContact CB-CD1 4.17Å; L48-F279 HydrophobicContact CB-CE1 4.13Å; L48-F279 HydrophobicContact CD1-CD1 3.73Å; L48-F279 HydrophobicContact CD1-CD2 3.9Å; L48-F279 HydrophobicContact CD1-CE1 3.55Å; L48-F279 HydrophobicContact CD1-CE2 3.71Å; L48-F279 HydrophobicContact CD1-CG 3.9Å; L48-F279 HydrophobicContact CD1-CZ 3.54Å; L48-F279 HydrophobicContact CG-CD1 4.42Å; L48-F279 HydrophobicContact CG-CE1 4.44Å; F276-F279 AromaticContact CD2-CD2 3.96Å; F276-F279 HydrophobicContact CD2-CD2 3.96Å; F276-F279 AromaticContact CD2-CE2 3.87Å; F276-F279 HydrophobicContact CD2-CE2 3.87Å; F276-F279 HydrophobicContact CE2-CD2 4.21Å; F276-F279 HydrophobicContact CE2-CE2 4.25Å; F276-F279 HydrophobicContact CG-CD2 4.18Å; F276-F279 HydrophobicContact CG-CE2 4.4Å; F276-F279 WeakPolarHBondContact O-CD2 3.48Å; F276-F279 PolarHBondContact O-N 3.26Å; F279-L300 HydrophobicContact CD2-CD2 4.02Å; F279-L300 HydrophobicContact CE1-CD2 4.06Å; F279-L300 HydrophobicContact CE2-CD2 3.44Å; F279-L300 VanDerWaalsContact CE2-CD2 3.44Å; F279-L300 HydrophobicContact CZ-CD2 3.44Å; F279-L300 VanDerWaalsContact CZ-CD2 3.44Å; F279-V312 HydrophobicContact CD1-CB 4.25Å; F279-V312 HydrophobicContact CD1-CG1 4.01Å; F279-V312 HydrophobicContact CE1-CB 3.92Å; F279-V312 HydrophobicContact CE1-CG1 3.54Å; F279-I314 HydrophobicContact CB-CB 4.37Å; F279-I314 HydrophobicContact CB-CD1 3.63Å; F279-I314 HydrophobicContact CB-CG1 3.73Å; F279-I314 HydrophobicContact CB-CG2 3.82Å; F279-I314 HydrophobicContact CD1-CG2 3.89Å; F279-I314 HydrophobicContact CD2-CD1 4.49Å; F279-I314 HydrophobicContact CD2-CG2 4.26Å; F279-I314 HydrophobicContact CG-CD1 4.32Å; F279-I314 HydrophobicContact CG-CG2 3.75Å; F279-Y316 WeakPolarHBondContact O-CE1 3.5Å; F279-Y316 PolarHBondContact O-OH 2.85Å
280N94.2Very high92.7Very high28 Ų2823.4 Ų23.415%0.1514%0.136CC..EExtended strand (participates in β ladder)trans-87.7164.6173.7-70.9-46.1000111.6F43 R46 F278 Q311 L313 I314 Y316F43-N280 PolarHBondContact O-ND2 2.93Å; R46-N280 PolarHBondContact O-ND2 3.33Å; R46-N280 PolarHBondContact O-OD1 2.89Å; F278-N280 PolarHBondContact O-N 3.1Å; N280-Q311 PolarHBondContact ND2-OE1 2.99Å; N280-L313 HydrophobicContact CB-CD2 3.66Å; N280-L313 WeakPolarHBondContact O-CA 3.07Å; N280-I314 PolarHBondContact O-N 3.3Å; N280-Y316 WeakPolarHBondContact CA-OH 3.15Å
281H93.2Very high92.8Very high10 Ų1024.3 Ų24.35%0.04614%0.142CC..EExtended strand (participates in β ladder)trans-83.2139.8-176.7-17554000113.9I314 N315 Y316 F330H281-I314 CarbonylContact C-O 3.5Å; H281-I314 VanDerWaalsContact CA-O 3.27Å; H281-I314 WeakPolarHBondContact CA-O 3.4Å; H281-N315 PolarHBondContact CE1-OD1 3.17Å; H281-Y316 HydrophobicContact CB-CD1 4.17Å; H281-Y316 HydrophobicContact CB-CD2 3.68Å; H281-Y316 HydrophobicContact CB-CE1 4.15Å; H281-Y316 HydrophobicContact CB-CE2 3.68Å; H281-Y316 HydrophobicContact CB-CG 3.93Å; H281-Y316 PolarHBondContact CE1-N 3.39Å; H281-Y316 AromaticContact CG-CD2 3.99Å; H281-Y316 AromaticContact CG-CG 3.98Å; H281-Y316 AromaticContact ND1-CG 3.65Å; H281-Y316 PolarHBondContact ND1-N 2.78Å; H281-F330 HydrophobicContact CB-CE1 4.48Å; H281-F330 HydrophobicContact CB-CE2 4.17Å; H281-F330 HydrophobicContact CB-CZ 3.57Å; H281-F330 AromaticContact CD2-CZ 3.9Å
282D90.8Very high92.7Very high35 Ų3524.7 Ų24.719%0.18714%0.144CC..  trans-144.7120.3156.7-178-17.9000108.5N284 V285 R304 L313 I314D282-N284 PolarHBondContact O-N 3.4Å; D282-N284 VanDerWaalsContact OD1-CB 3.28Å; D282-N284 WeakPolarHBondContact OD1-CB 3.49Å; D282-N284 PolarHBondContact OD1-N 3.08Å; D282-N284 PolarHBondContact OD1-ND2 3.12Å; D282-V285 HydrophobicContact CB-CB 4.36Å; D282-V285 HydrophobicContact CB-CG2 3.64Å; D282-V285 PolarHBondContact O-N 3.48Å; D282-R304 IonicContact OD2-NH1 3.21Å; D282-L313 HydrophobicContact CB-CB 3.79Å; D282-L313 HydrophobicContact CB-CD1 3.76Å; D282-L313 HydrophobicContact CB-CG 4.28Å; D282-I314 PolarHBondContact N-O 2.96Å
283Q88.1Confident92.4Very high25 Ų2535.1 Ų35.112%0.11719%0.189CC..THydrogen-bonded Turntrans-62.6-16.8-17773.7-163.5-13.600113.3N315 L332 N338 N340Q283-N315 PolarHBondContact O-ND2 2.85Å; Q283-L332 HydrophobicContact CB-CD1 4.36Å; Q283-L332 HydrophobicContact CG-CD1 4.29Å; Q283-N338 PolarHBondContact NE2-O 2.72Å; Q283-N340 PolarHBondContact OE1-ND2 3.06Å
284N86.6Confident92.1Very high65 Ų6540 Ų4035%0.34822%0.219SC..THydrogen-bonded Turntrans-97.73.9-173.8-51.1-32.9000113D282 P286 N338D282-N284 PolarHBondContact O-N 3.4Å; D282-N284 VanDerWaalsContact OD1-CB 3.28Å; D282-N284 WeakPolarHBondContact OD1-CB 3.49Å; D282-N284 PolarHBondContact OD1-N 3.08Å; D282-N284 PolarHBondContact OD1-ND2 3.12Å; N284-P286 WeakPolarHBondContact O-CD 3.25Å; N284-N338 PolarHBondContact ND2-ND2 3.46Å; N284-N338 PolarHBondContact OD1-ND2 3.04Å; N284-N338 PolarHBondContact OD1-OD1 2.94Å
285V87.6Confident91.8Very high2 Ų241.4 Ų41.41%0.01223%0.234CC..  trans-107.495.3-174.9-174.20000109.9D282 T287 R304 L313 N315D282-V285 HydrophobicContact CB-CB 4.36Å; D282-V285 HydrophobicContact CB-CG2 3.64Å; D282-V285 PolarHBondContact O-N 3.48Å; V285-T287 HydrophobicContact CG1-CG2 3.81Å; V285-T287 PolarHBondContact O-N 2.62Å; V285-R304 HydrophobicContact CG1-CG 4.43Å; V285-L313 WeakPolarHBondContact CG1-O 3.22Å; V285-L313 HydrophobicContact CG2-CB 4.4Å; V285-N315 VanDerWaalsContact O-CB 3.25Å; V285-N315 WeakPolarHBondContact O-CB 3.24Å
286P87.3Confident91.6Very high76 Ų7644.9 Ų44.949%0.49425%0.253SS..  trans-64.1127.3172.316.7-18.9000109.5N284 E303N284-P286 WeakPolarHBondContact O-CD 3.25Å; P286-E303 HydrophobicContact CB-CB 4.03Å; P286-E303 HydrophobicContact CB-CG 3.93Å; P286-E303 HydrophobicContact CG-CB 3.81Å; P286-E303 HydrophobicContact CG-CG 4.25Å; P286-E303 WeakPolarHBondContact O-CB 3.44Å; P286-E303 PolarHBondContact O-N 2.84Å; P286-E303 VanDerWaalsContact O-N 3.16Å
287T90.6Very high91.4Very high40 Ų4044.7 Ų44.725%0.24525%0.252CS..EExtended strand (participates in β ladder)trans-135.3152.9179.159.30000109.4V285 Y301 L302 I314V285-T287 HydrophobicContact CG1-CG2 3.81Å; V285-T287 PolarHBondContact O-N 2.62Å; T287-Y301 WeakPolarHBondContact CA-O 3.33Å; T287-L302 HydrophobicContact CG2-CD2 3.66Å; T287-I314 HydrophobicContact CG2-CB 4.05Å; T287-I314 HydrophobicContact CG2-CG2 4.1Å
288A92.3Very high91.4Very high40 Ų4044 Ų4433%0.33125%0.249SC..EExtended strand (participates in β ladder)trans-129.7117.8176.800000109.4L300 Y301A288-L300 WeakPolarHBondContact O-CA 3.38Å; A288-Y301 PolarHBondContact N-O 3.47Å; A288-Y301 PolarHBondContact O-N 2.76Å
289L94Very high91.5Very high38 Ų3845 Ų4520%0.19925%0.254CS..EExtended strand (participates in β ladder)trans-91.8125.6164.4-173.965000107.6V223 F276 L298 E299 L300V223-L289 HydrophobicContact CG2-CD2 3.96Å; F276-L289 HydrophobicContact CE2-CD1 4.04Å; F276-L289 HydrophobicContact CZ-CD2 4.35Å; L289-L298 HydrophobicContact CD1-CB 4.29Å; L289-E299 WeakPolarHBondContact CA-O 3.19Å; L289-L300 HydrophobicContact CD1-CB 4.41Å
290S94.1Very high91.5Very high40 Ų4045 Ų4528%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-142.7157.8-175.661.60000111.3L298 E299 Y301S290-L298 WeakPolarHBondContact O-CA 3.24Å; S290-E299 PolarHBondContact N-O 2.92Å; S290-E299 PolarHBondContact O-N 3.36Å; S290-Y301 WeakPolarHBondContact OG-CE2 3.36Å
291L93.1Very high91.5Very high70 Ų7046.8 Ų46.837%0.36626%0.259SS..EExtended strand (participates in β ladder)trans-76.4135.8169.8-169.270.2000109L65 F227 L298L65-L291 HydrophobicContact CD1-CD1 3.42Å; L65-L291 VanDerWaalsContact CD1-CD1 3.42Å; F227-L291 HydrophobicContact CB-CD1 4.31Å; L291-L298 HydrophobicContact CD1-CD2 4.45Å
292S92.8Very high91.5Very high7 Ų746.4 Ų46.45%0.04926%0.257CS..  trans-60.2158.3175.1660000111.3T294 G295 L296 S297 E299S292-T294 PolarHBondContact O-N 3Å; S292-T294 PolarHBondContact OG-OG1 3.04Å; S292-G295 PolarHBondContact O-N 2.57Å; S292-L296 PolarHBondContact OG-N 3.49Å; S292-S297 WeakPolarHBondContact CB-O 3.42Å; S292-S297 WeakPolarHBondContact CB-OG 3.48Å; S292-S297 PolarHBondContact N-O 2.83Å; S292-S297 PolarHBondContact OG-N 2.85Å; S292-S297 VanDerWaalsContact OG-N 3.16Å; S292-S297 PolarHBondContact OG-O 3.01Å; S292-S297 PolarHBondContact OG-OG 3.19Å; S292-E299 WeakPolarHBondContact CB-OE1 3.45Å
293K90.4Very high91.5Very high220 Ų22048.5 Ų48.596%0.95727%0.266SS*.THydrogen-bonded Turntrans-56.9-27.4-178.9-65.8-176.1-178178.30113.5
294T89.3Confident91.6Very high104 Ų10451 Ų5164%0.63827%0.274SS*.THydrogen-bonded Turntrans-83.3-14.8178.156.50000112.9S292 L296S292-T294 PolarHBondContact O-N 3Å; S292-T294 PolarHBondContact OG-OG1 3.04Å; T294-L296 VanDerWaalsContact C-N 3.26Å; T294-L296 PolarHBondContact OG1-N 2.87Å
295G89.1Confident92Very high31 Ų3150.7 Ų50.732%0.3228%0.277SS..SBendtrans78.17.2-173.400000114.5S292S292-G295 PolarHBondContact O-N 2.57Å
296L89.5Confident92.4Very high77 Ų7750.8 Ų50.840%0.40328%0.278SS..SBendtrans-98.9-9.5-170-60.2178.1000113.9L65 S292 T294L65-L296 PolarHBondContact N-O 3.37Å; S292-L296 PolarHBondContact OG-N 3.49Å; T294-L296 VanDerWaalsContact C-N 3.26Å; T294-L296 PolarHBondContact OG1-N 2.87Å
297S92.5Very high92.8Very high6 Ų650.7 Ų50.74%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-149.6151.9-176.755.70000112.1S62 V63 S292S62-S297 WeakPolarHBondContact OG-CB 3.21Å; S62-S297 PolarHBondContact OG-OG 2.92Å; V63-S297 CarbonylContact O-C 3.53Å; V63-S297 WeakPolarHBondContact O-CA 3.39Å; V63-S297 VanDerWaalsContact O-CB 3.24Å; V63-S297 WeakPolarHBondContact O-CB 3.41Å; S292-S297 WeakPolarHBondContact CB-O 3.42Å; S292-S297 WeakPolarHBondContact CB-OG 3.48Å; S292-S297 PolarHBondContact N-O 2.83Å; S292-S297 PolarHBondContact OG-N 2.85Å; S292-S297 VanDerWaalsContact OG-N 3.16Å; S292-S297 PolarHBondContact OG-O 3.01Å; S292-S297 PolarHBondContact OG-OG 3.19Å
298L94.1Very high93.1Very high0 Ų051.8 Ų51.80%029%0.292CS..EExtended strand (participates in β ladder)trans-91.6133.2165.8-72.3164.9000109S62 V63 L65 V71 C225 P226 F227 I273 L289 S290 L291S62-L298 CarbonylContact C-O 3.59Å; S62-L298 VanDerWaalsContact CA-O 3.25Å; S62-L298 WeakPolarHBondContact CA-O 3.38Å; V63-L298 HydrophobicContact CG1-CB 3.7Å; V63-L298 HydrophobicContact CG1-CD1 4.37Å; V63-L298 PolarHBondContact N-O 2.93Å; V63-L298 PolarHBondContact O-N 3.17Å; L65-L298 HydrophobicContact CD2-CD1 3.85Å; L65-L298 HydrophobicContact CD2-CG 3.93Å; L65-L298 HydrophobicContact CG-CG 4.45Å; V71-L298 HydrophobicContact CG1-CD1 4.47Å; V71-L298 HydrophobicContact CG2-CD1 4.45Å; C225-L298 HydrophobicContact CB-CD1 4.1Å; C225-L298 HydrophobicContact CB-CD2 4.42Å; P226-L298 HydrophobicContact CG-CD2 4.4Å; F227-L298 HydrophobicContact CD1-CD1 4.13Å; F227-L298 HydrophobicContact CD1-CD2 3.97Å; F227-L298 HydrophobicContact CD1-CG 4.38Å; F227-L298 HydrophobicContact CE1-CD1 3.76Å; F227-L298 HydrophobicContact CE1-CD2 4.44Å; F227-L298 HydrophobicContact CE1-CG 4.43Å; I273-L298 HydrophobicContact CD1-CD1 4.05Å; L289-L298 HydrophobicContact CD1-CB 4.29Å; S290-L298 WeakPolarHBondContact O-CA 3.24Å; L291-L298 HydrophobicContact CD1-CD2 4.45Å
299E95.6Very high93.2Very high30 Ų3052.2 Ų52.214%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-125.5127.9-173-70.8177.917300110.4Y61 S62 L289 S290 S292 Y301Y61-E299 WeakPolarHBondContact O-CA 3.32Å; S62-E299 WeakPolarHBondContact OG-CG 3.26Å; L289-E299 WeakPolarHBondContact CA-O 3.19Å; S290-E299 PolarHBondContact N-O 2.92Å; S290-E299 PolarHBondContact O-N 3.36Å; S292-E299 WeakPolarHBondContact CB-OE1 3.45Å; E299-Y301 HydrophobicContact CB-CD2 4.25Å; E299-Y301 HydrophobicContact CB-CE2 3.48Å; E299-Y301 VanDerWaalsContact CB-CE2 3.48Å; E299-Y301 PolarHBondContact OE2-OH 2.83Å
300L96.3Very high93.3Very high2 Ų253.7 Ų53.71%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-98.1127175.3-179.966.8000110.2C59 C60 Y61 F276 F279 A288 L289 I314C59-L300 CarbonylContact C-O 3.52Å; C59-L300 WeakPolarHBondContact CA-O 3.03Å; C60-L300 PolarHBondContact N-O 2.99Å; C60-L300 PolarHBondContact SG-O 3.18Å; C60-L300 VanDerWaalsContact SG-O 3.39Å; Y61-L300 HydrophobicContact CD1-CB 4.42Å; Y61-L300 PolarHBondContact O-N 3.2Å; F276-L300 HydrophobicContact CE2-CB 4.44Å; F276-L300 HydrophobicContact CE2-CD1 4.29Å; F276-L300 HydrophobicContact CE2-CD2 4.06Å; F279-L300 HydrophobicContact CD2-CD2 4.02Å; F279-L300 HydrophobicContact CE1-CD2 4.06Å; F279-L300 HydrophobicContact CE2-CD2 3.44Å; F279-L300 VanDerWaalsContact CE2-CD2 3.44Å; F279-L300 HydrophobicContact CZ-CD2 3.44Å; F279-L300 VanDerWaalsContact CZ-CD2 3.44Å; A288-L300 WeakPolarHBondContact O-CA 3.38Å; L289-L300 HydrophobicContact CD1-CB 4.41Å; L300-I314 HydrophobicContact CD1-CG2 4.45Å; L300-I314 HydrophobicContact CD2-CG2 3.91Å
301Y95.3Very high93.3Very high65 Ų6552.7 Ų52.726%0.25530%0.297SS..EExtended strand (participates in β ladder)trans-116.3137.1177-65.4-96.3000110.5K57 C59 T287 A288 S290 E299K57-Y301 WeakPolarHBondContact O-CD1 3.19Å; C59-Y301 HydrophobicContact CB-CD1 4.06Å; C59-Y301 HydrophobicContact CB-CE1 3.58Å; C59-Y301 HydrophobicContact CB-CE2 4.42Å; T287-Y301 WeakPolarHBondContact CA-O 3.33Å; A288-Y301 PolarHBondContact N-O 3.47Å; A288-Y301 PolarHBondContact O-N 2.76Å; S290-Y301 WeakPolarHBondContact OG-CE2 3.36Å; E299-Y301 HydrophobicContact CB-CD2 4.25Å; E299-Y301 HydrophobicContact CB-CE2 3.48Å; E299-Y301 VanDerWaalsContact CB-CE2 3.48Å; E299-Y301 PolarHBondContact OE2-OH 2.83Å
302L92Very high93.4Very high1 Ų149.3 Ų49.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-103.9132.2175.5-54.5176000109.3I54 K57 C60 T287 R304 V306 V312I54-L302 HydrophobicContact CG2-CD1 4.16Å; K57-L302 WeakPolarHBondContact CA-O 3.48Å; K57-L302 PolarHBondContact N-O 3Å; C60-L302 HydrophobicContact CB-CD1 4.09Å; C60-L302 HydrophobicContact CB-CG 4.25Å; T287-L302 HydrophobicContact CG2-CD2 3.66Å; L302-R304 PolarHBondContact O-N 2.88Å; L302-V306 HydrophobicContact CD1-CG2 3.77Å; L302-V312 HydrophobicContact CD1-CG1 3.61Å; L302-V312 HydrophobicContact CD2-CG1 4.12Å; L302-V312 HydrophobicContact CG-CG1 4.47Å
303E90.4Very high93.5Very high80 Ų8049.5 Ų49.537%0.37428%0.28SS..SBendtrans-78.8-8.7177.4-71-62.9153.800113.2S56 K57 P286S56-E303 WeakPolarHBondContact CB-O 3.32Å; S56-E303 PolarHBondContact OG-O 3.09Å; K57-E303 WeakPolarHBondContact CE-OE2 3.36Å; K57-E303 WeakPolarHBondContact CG-OE2 3.49Å; P286-E303 HydrophobicContact CB-CB 4.03Å; P286-E303 HydrophobicContact CB-CG 3.93Å; P286-E303 HydrophobicContact CG-CB 3.81Å; P286-E303 HydrophobicContact CG-CG 4.25Å; P286-E303 WeakPolarHBondContact O-CB 3.44Å; P286-E303 PolarHBondContact O-N 2.84Å; P286-E303 VanDerWaalsContact O-N 3.16Å
304R91.7Very high93.6Very high76 Ų7639.6 Ų39.629%0.28724%0.237SC..SBendtrans-116.9155.5175.466.5178.7-116.7-146.7-2.1111.8D282 V285 L302 E310D282-R304 IonicContact OD2-NH1 3.21Å; V285-R304 HydrophobicContact CG1-CG 4.43Å; L302-R304 PolarHBondContact O-N 2.88Å; R304-E310 IonicContact CZ-OE1 3.72Å; R304-E310 IonicContact NH2-OE1 2.69Å; R304-E310 PolarHBondContact NH2-OE1 3.32Å
305S94.8Very high93.8Very high60 Ų6037 Ų3742%0.4222%0.219SC..  trans-74.4149.3168-59.10000110.7I54 S56I54-S305 CarbonylContact O-C 3.51Å; I54-S305 WeakPolarHBondContact O-CA 3.48Å; S56-S305 PolarHBondContact N-OG 3.44Å
306V95Very high93.9Very high3 Ų338.4 Ų38.42%0.01822%0.216CC..BIsolated β-bridgetrans-129.5129.6177.1-176.80000108.9A50 E53 I54 L302 E310 V312A50-V306 HydrophobicContact CB-CG1 4.02Å; E53-V306 WeakPolarHBondContact CA-O 3.36Å; I54-V306 HydrophobicContact CB-CB 4.4Å; I54-V306 PolarHBondContact N-O 3.37Å; I54-V306 PolarHBondContact O-N 3.35Å; L302-V306 HydrophobicContact CD1-CG2 3.77Å; V306-E310 HydrophobicContact CG1-CB 3.71Å; V306-E310 HydrophobicContact CG1-CG 3.98Å; V306-V312 HydrophobicContact CG1-CG2 4.09Å
307S96.5Very high93.9Very high74 Ų7435.9 Ų35.952%0.51721%0.208SC..  trans-77.2154.1-178.2-60.40000111.5G309 E310S307-G309 PolarHBondContact O-N 3.26Å; S307-E310 PolarHBondContact N-OE2 3.12Å; S307-E310 WeakPolarHBondContact O-CB 3.39Å; S307-E310 PolarHBondContact O-N 3.48Å
308A96.6Very high93.7Very high64 Ų6439.5 Ų39.553%0.52924%0.239SC..THydrogen-bonded Turntrans-56.7131.3173.800000111.1E310A308-E310 VanDerWaalsContact C-N 3.26Å; A308-E310 PolarHBondContact O-N 2.93Å
309G94.7Very high93.5Very high49 Ų4941.6 Ų41.651%0.50525%0.248SC..THydrogen-bonded Turntrans82.8-9.4-176.700000115.2A50 S307A50-G309 PolarHBondContact O-N 3.41Å; S307-G309 PolarHBondContact O-N 3.26Å
310E94.8Very high93.4Very high68 Ų6840.4 Ų40.432%0.31824%0.243SC..SBendtrans-75.3147.8174.4-169.1-173.7162.300110.7I49 A50 R304 V306 S307 A308I49-E310 CarbonylContact C-O 3Å; I49-E310 VanDerWaalsContact CA-O 3.25Å; I49-E310 WeakPolarHBondContact CA-O 3.28Å; I49-E310 WeakPolarHBondContact CB-O 3.38Å; A50-E310 PolarHBondContact N-O 3.33Å; R304-E310 IonicContact CZ-OE1 3.72Å; R304-E310 IonicContact NH2-OE1 2.69Å; R304-E310 PolarHBondContact NH2-OE1 3.32Å; V306-E310 HydrophobicContact CG1-CB 3.71Å; V306-E310 HydrophobicContact CG1-CG 3.98Å; S307-E310 PolarHBondContact N-OE2 3.12Å; S307-E310 WeakPolarHBondContact O-CB 3.39Å; S307-E310 PolarHBondContact O-N 3.48Å; A308-E310 VanDerWaalsContact C-N 3.26Å; A308-E310 PolarHBondContact O-N 2.93Å
311Q94.9Very high93.4Very high19 Ų1940.6 Ų40.69%0.08924%0.244CC..BIsolated β-bridgetrans-67.9132.3173.6-175.4172.9-165.900110.7L41 F43 L48 I49 N280 L313L41-Q311 HydrophobicContact CD2-CB 4.2Å; L41-Q311 HydrophobicContact CD2-CG 4.21Å; F43-Q311 PolarHBondContact O-NE2 3.34Å; F43-Q311 PolarHBondContact O-OE1 2.66Å; F43-Q311 VanDerWaalsContact O-OE1 3.09Å; L48-Q311 WeakPolarHBondContact O-CA 3.2Å; L48-Q311 WeakPolarHBondContact O-CG 3.4Å; I49-Q311 HydrophobicContact CG2-CB 4.35Å; N280-Q311 PolarHBondContact ND2-OE1 2.99Å; Q311-L313 VanDerWaalsContact CD-CD2 3.49Å; Q311-L313 HydrophobicContact CG-CD2 3.77Å; Q311-L313 HydrophobicContact CG-CG 4.09Å
312V95.2Very high93.4Very high0 Ų037.7 Ų37.70%023%0.233CC..PPolyproline II helixtrans-90.2116.7171.9-173.20000107.8L35 L48 A50 I54 F279 L302 V306L35-V312 HydrophobicContact CD2-CB 4.13Å; L35-V312 HydrophobicContact CD2-CG1 4.42Å; L35-V312 HydrophobicContact CD2-CG2 3.56Å; L48-V312 PolarHBondContact O-N 3.47Å; A50-V312 HydrophobicContact CB-CG2 3.99Å; I54-V312 HydrophobicContact CD1-CG2 4.11Å; F279-V312 HydrophobicContact CD1-CB 4.25Å; F279-V312 HydrophobicContact CD1-CG1 4.01Å; F279-V312 HydrophobicContact CE1-CB 3.92Å; F279-V312 HydrophobicContact CE1-CG1 3.54Å; L302-V312 HydrophobicContact CD1-CG1 3.61Å; L302-V312 HydrophobicContact CD2-CG1 4.12Å; L302-V312 HydrophobicContact CG-CG1 4.47Å; V306-V312 HydrophobicContact CG1-CG2 4.09Å
313L94.2Very high93.5Very high11 Ų1138.2 Ų38.26%0.05824%0.236CC..EExtended strand (participates in β ladder)trans-110153.2-179-61167000109.1F43 N280 D282 V285 Q311F43-L313 HydrophobicContact CD2-CD1 4.37Å; N280-L313 HydrophobicContact CB-CD2 3.66Å; N280-L313 WeakPolarHBondContact O-CA 3.07Å; D282-L313 HydrophobicContact CB-CB 3.79Å; D282-L313 HydrophobicContact CB-CD1 3.76Å; D282-L313 HydrophobicContact CB-CG 4.28Å; V285-L313 WeakPolarHBondContact CG1-O 3.22Å; V285-L313 HydrophobicContact CG2-CB 4.4Å; Q311-L313 VanDerWaalsContact CD-CD2 3.49Å; Q311-L313 HydrophobicContact CG-CD2 3.77Å; Q311-L313 HydrophobicContact CG-CG 4.09Å
314I94.3Very high93.8Very high11 Ų1134.5 Ų34.56%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-126.8166.1173.269.9174.4000110.2F276 F279 N280 H281 D282 T287 L300 Y316F276-I314 HydrophobicContact CE1-CD1 4.08Å; F276-I314 HydrophobicContact CZ-CD1 4.02Å; F279-I314 HydrophobicContact CB-CB 4.37Å; F279-I314 HydrophobicContact CB-CD1 3.63Å; F279-I314 HydrophobicContact CB-CG1 3.73Å; F279-I314 HydrophobicContact CB-CG2 3.82Å; F279-I314 HydrophobicContact CD1-CG2 3.89Å; F279-I314 HydrophobicContact CD2-CD1 4.49Å; F279-I314 HydrophobicContact CD2-CG2 4.26Å; F279-I314 HydrophobicContact CG-CD1 4.32Å; F279-I314 HydrophobicContact CG-CG2 3.75Å; N280-I314 PolarHBondContact O-N 3.3Å; H281-I314 CarbonylContact C-O 3.5Å; H281-I314 VanDerWaalsContact CA-O 3.27Å; H281-I314 WeakPolarHBondContact CA-O 3.4Å; D282-I314 PolarHBondContact N-O 2.96Å; T287-I314 HydrophobicContact CG2-CB 4.05Å; T287-I314 HydrophobicContact CG2-CG2 4.1Å; L300-I314 HydrophobicContact CD1-CG2 4.45Å; L300-I314 HydrophobicContact CD2-CG2 3.91Å; I314-Y316 HydrophobicContact CD1-CD1 3.98Å; I314-Y316 HydrophobicContact CD1-CE1 3.83Å; I314-Y316 HydrophobicContact CG1-CD1 3.74Å; I314-Y316 HydrophobicContact CG1-CE1 3.61Å
315N92.4Very high94Very high49 Ų4930.9 Ų30.926%0.26221%0.205SC..  trans-95.5124.3170.9-171.3-24.9000109.3H281 Q283 V285 G317H281-N315 PolarHBondContact CE1-OD1 3.17Å; Q283-N315 PolarHBondContact O-ND2 2.85Å; V285-N315 VanDerWaalsContact O-CB 3.25Å; V285-N315 WeakPolarHBondContact O-CB 3.24Å; N315-G317 VanDerWaalsContact C-N 3.32Å; N315-G317 VanDerWaalsContact OD1-C 3.26Å; N315-G317 WeakPolarHBondContact OD1-CA 3.34Å; N315-G317 PolarHBondContact OD1-N 3.23Å; N315-G317 PolarHBondContact OD1-O 3Å
316Y92.3Very high94Very high62 Ų6228.2 Ų28.224%0.24319%0.186CC..  trans-81.4-18.3179.1-68.4-4.5000111.9F279 N280 H281 I314 Y328 F330F279-Y316 WeakPolarHBondContact O-CE1 3.5Å; F279-Y316 PolarHBondContact O-OH 2.85Å; N280-Y316 WeakPolarHBondContact CA-OH 3.15Å; H281-Y316 HydrophobicContact CB-CD1 4.17Å; H281-Y316 HydrophobicContact CB-CD2 3.68Å; H281-Y316 HydrophobicContact CB-CE1 4.15Å; H281-Y316 HydrophobicContact CB-CE2 3.68Å; H281-Y316 HydrophobicContact CB-CG 3.93Å; H281-Y316 PolarHBondContact CE1-N 3.39Å; H281-Y316 AromaticContact CG-CD2 3.99Å; H281-Y316 AromaticContact CG-CG 3.98Å; H281-Y316 AromaticContact ND1-CG 3.65Å; H281-Y316 PolarHBondContact ND1-N 2.78Å; I314-Y316 HydrophobicContact CD1-CD1 3.98Å; I314-Y316 HydrophobicContact CD1-CE1 3.83Å; I314-Y316 HydrophobicContact CG1-CD1 3.74Å; I314-Y316 HydrophobicContact CG1-CE1 3.61Å; Y316-Y328 AromaticContact CD2-CD1 3.73Å; Y316-Y328 HydrophobicContact CD2-CD1 3.73Å; Y316-Y328 AromaticContact CD2-CE1 3.5Å; Y316-Y328 HydrophobicContact CD2-CE1 3.5Å; Y316-Y328 VanDerWaalsContact CD2-CE1 3.5Å; Y316-Y328 HydrophobicContact CD2-CG 4.43Å; Y316-Y328 AromaticContact CE2-CD1 3.84Å; Y316-Y328 HydrophobicContact CE2-CD1 3.84Å; Y316-Y328 AromaticContact CE2-CE1 3.97Å; Y316-Y328 HydrophobicContact CE2-CE1 3.97Å; Y316-Y328 HydrophobicContact CG-CE1 4.32Å; Y316-F330 HydrophobicContact CE2-CE1 4.2Å; Y316-F330 HydrophobicContact CE2-CZ 4.37Å
317G88Confident93.9Very high24 Ų2429.7 Ų29.725%0.24719%0.193CC..  trans143.4167.2-170.500000110.3N315 H319N315-G317 VanDerWaalsContact C-N 3.32Å; N315-G317 VanDerWaalsContact OD1-C 3.26Å; N315-G317 WeakPolarHBondContact OD1-CA 3.34Å; N315-G317 PolarHBondContact OD1-N 3.23Å; N315-G317 PolarHBondContact OD1-O 3Å; G317-H319 PolarHBondContact O-N 3.15Å
318A88Confident93.8Very high82 Ų8228.7 Ų28.768%0.67818%0.178SC*.SBendtrans-76.471.7172.400000110.2
319H91.5Very high93.6Very high44 Ų4427 Ų2720%0.20417%0.166CC..  trans-96.2135.7-178.4-63.7-51.6000111.6G317 T323 L324 Y328G317-H319 PolarHBondContact O-N 3.15Å; H319-T323 HydrophobicContact CB-CG2 4.19Å; H319-L324 HydrophobicContact CB-CD2 3.6Å; H319-L324 HydrophobicContact CB-CG 3.83Å; H319-Y328 AromaticContact CD2-CE2 3.76Å; H319-Y328 AromaticContact NE2-CE2 3.79Å; H319-Y328 AromaticContact NE2-CZ 3.83Å; H319-Y328 PolarHBondContact NE2-OH 2.9Å; H319-Y328 VanDerWaalsContact NE2-OH 3.08Å
320D93.4Very high93.5Very high5 Ų527.4 Ų27.43%0.02715%0.154CC..  trans-78.1164.9168.766.489.5000111.7L322 T323 L324 V342D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 3.36Å; D320-L322 VanDerWaalsContact OD1-CA 3.31Å; D320-L322 WeakPolarHBondContact OD1-CA 3.4Å; D320-L322 WeakPolarHBondContact OD1-CB 3.35Å; D320-L322 PolarHBondContact OD1-N 2.99Å; D320-T323 PolarHBondContact O-N 2.92Å; D320-T323 VanDerWaalsContact O-N 3.17Å; D320-T323 PolarHBondContact OD1-N 3.47Å; D320-T323 WeakPolarHBondContact OD2-CB 3.42Å; D320-T323 PolarHBondContact OD2-OG1 3.17Å; D320-L324 WeakPolarHBondContact O-CG 3.31Å; D320-L324 PolarHBondContact O-N 3.31Å; D320-V342 HydrophobicContact CB-CG2 3.85Å
321N95.2Very high93.5Very high6 Ų624.9 Ų24.93%0.03214%0.143CC..Hα-helixtrans-66.3-25.5-177.7-78-49.6000114.5L325 I331 L332 E341 Y564N321-L325 WeakPolarHBondContact O-CB 3.45Å; N321-L325 PolarHBondContact O-N 3.43Å; N321-I331 HydrophobicContact CB-CG2 4.23Å; N321-L332 PolarHBondContact ND2-O 3.08Å; N321-L332 PolarHBondContact OD1-N 2.88Å; N321-L332 PolarHBondContact OD1-O 2.92Å; N321-E341 WeakPolarHBondContact CB-OE2 3.27Å; N321-E341 VanDerWaalsContact CG-OE2 3.26Å; N321-E341 PolarHBondContact N-OE2 2.76Å; N321-E341 PolarHBondContact ND2-OE2 3.47Å; N321-Y564 HydrophobicContact CB-CD2 3.98Å; N321-Y564 HydrophobicContact CB-CE2 3.8Å
322L95.9Very high93.3Very high3 Ų325.1 Ų25.12%0.01615%0.145CC..Hα-helixtrans-66.8-43.2174.2-175.658.4000109.8D166 I167 K170 D320 T326 Y564D166-L322 HydrophobicContact CB-CD2 4.43Å; I167-L322 HydrophobicContact CG1-CD1 4.17Å; K170-L322 HydrophobicContact CB-CD2 4.04Å; K170-L322 HydrophobicContact CB-CG 4.32Å; K170-L322 HydrophobicContact CG-CD2 4.32Å; K170-L322 HydrophobicContact CG-CG 4.12Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 3.36Å; D320-L322 VanDerWaalsContact OD1-CA 3.31Å; D320-L322 WeakPolarHBondContact OD1-CA 3.4Å; D320-L322 WeakPolarHBondContact OD1-CB 3.35Å; D320-L322 PolarHBondContact OD1-N 2.99Å; L322-T326 HydrophobicContact CD1-CG2 4.02Å; L322-T326 WeakPolarHBondContact O-CB 3.4Å; L322-T326 VanDerWaalsContact O-CG2 3.3Å; L322-T326 WeakPolarHBondContact O-CG2 3.28Å; L322-T326 PolarHBondContact O-N 3.02Å; L322-T326 PolarHBondContact O-OG1 2.89Å; L322-Y564 HydrophobicContact CB-CE2 4.26Å; L322-Y564 WeakPolarHBondContact CB-OH 3.28Å; L322-Y564 HydrophobicContact CD1-CE1 4.33Å
323T94.7Very high93.2Very high13 Ų1328.6 Ų28.68%0.0817%0.168CC..Hα-helixtrans-65.7-46174.6-630000111.7K170 H319 D320 L325 T326 E327K170-T323 PolarHBondContact NZ-OG1 3.45Å; K170-T323 VanDerWaalsContact NZ-OG1 3.15Å; H319-T323 HydrophobicContact CB-CG2 4.19Å; D320-T323 PolarHBondContact O-N 2.92Å; D320-T323 VanDerWaalsContact O-N 3.17Å; D320-T323 PolarHBondContact OD1-N 3.47Å; D320-T323 WeakPolarHBondContact OD2-CB 3.42Å; D320-T323 PolarHBondContact OD2-OG1 3.17Å; T323-L325 PolarHBondContact O-N 3.22Å; T323-T326 PolarHBondContact O-N 3.45Å; T323-E327 HydrophobicContact CG2-CG 4.33Å; T323-E327 WeakPolarHBondContact O-CB 3.14Å; T323-E327 PolarHBondContact O-N 3.04Å
324L95.3Very high93Very high1 Ų129.7 Ų29.71%0.00517%0.172CC..Iπ-helixtrans-60.4-43.9177.3-66.2177.6000112.2H319 D320 Y328 G329 F330 L332H319-L324 HydrophobicContact CB-CD2 3.6Å; H319-L324 HydrophobicContact CB-CG 3.83Å; D320-L324 WeakPolarHBondContact O-CG 3.31Å; D320-L324 PolarHBondContact O-N 3.31Å; L324-Y328 HydrophobicContact CD2-CD2 3.99Å; L324-Y328 HydrophobicContact CD2-CE2 4.36Å; L324-Y328 CarbonylContact O-C 3.5Å; L324-Y328 WeakPolarHBondContact O-CA 3.41Å; L324-Y328 WeakPolarHBondContact O-CB 3.38Å; L324-Y328 PolarHBondContact O-N 2.93Å; L324-G329 PolarHBondContact O-N 3.32Å; L324-F330 CarbonylContact C-O 3.6Å; L324-F330 HydrophobicContact CB-CE2 4.28Å; L324-F330 HydrophobicContact CB-CZ 4.49Å; L324-F330 VanDerWaalsContact CB-O 3.23Å; L324-F330 WeakPolarHBondContact CB-O 3.3Å; L324-F330 HydrophobicContact CD1-CE2 3.93Å; L324-F330 HydrophobicContact CD1-CZ 4.41Å; L324-F330 HydrophobicContact CD2-CE1 4.39Å; L324-F330 HydrophobicContact CD2-CE2 4.05Å; L324-F330 HydrophobicContact CD2-CZ 3.68Å; L324-F330 HydrophobicContact CG-CE2 4.32Å; L324-F330 HydrophobicContact CG-CZ 4.42Å; L324-F330 PolarHBondContact O-N 2.9Å; L324-L332 HydrophobicContact CD1-CD1 3.7Å; L324-L332 HydrophobicContact CD1-CG 3.72Å
325L96Very high92.6Very high1 Ų132.8 Ų32.81%0.00519%0.188CC..Iπ-helixtrans-63.1-48.3178172.957.7000111.2P138 N321 T323 G329 F330 I331 E560 F561 Y564P138-L325 WeakPolarHBondContact CD-O 3.41Å; P138-L325 HydrophobicContact CG-CD1 3.85Å; P138-L325 HydrophobicContact CG-CD2 4.19Å; P138-L325 HydrophobicContact CG-CG 3.73Å; N321-L325 WeakPolarHBondContact O-CB 3.45Å; N321-L325 PolarHBondContact O-N 3.43Å; T323-L325 PolarHBondContact O-N 3.22Å; L325-G329 VanDerWaalsContact O-CA 3.24Å; L325-G329 WeakPolarHBondContact O-CA 3.23Å; L325-G329 PolarHBondContact O-N 3.37Å; L325-G329 VanDerWaalsContact O-N 3.17Å; L325-F330 WeakPolarHBondContact CA-O 3.16Å; L325-F330 PolarHBondContact N-O 2.65Å; L325-I331 HydrophobicContact CB-CG1 3.93Å; L325-I331 HydrophobicContact CD1-CD1 3.94Å; L325-I331 HydrophobicContact CD1-CG1 4.12Å; L325-I331 HydrophobicContact CD2-CD1 4.29Å; L325-I331 HydrophobicContact CD2-CG1 4.49Å; L325-I331 HydrophobicContact CG-CD1 4.47Å; L325-I331 HydrophobicContact CG-CG1 4.38Å; L325-E560 HydrophobicContact CD1-CB 3.94Å; L325-F561 HydrophobicContact CD2-CD1 4.37Å; L325-F561 HydrophobicContact CD2-CE1 4.18Å; L325-F561 HydrophobicContact CD2-CZ 4.33Å; L325-Y564 HydrophobicContact CD2-CD1 4.36Å; L325-Y564 HydrophobicContact CD2-CD2 4.3Å; L325-Y564 HydrophobicContact CD2-CG 3.93Å
326T94.9Very high91.8Very high3 Ų334.9 Ų34.92%0.01820%0.197CC..Iπ-helixtrans-85.5-25.6-16959.20000114.3P138 K170 L171 L174 L322 T323P138-T326 HydrophobicContact CG-CG2 4.31Å; K170-T326 WeakPolarHBondContact CE-OG1 3.46Å; K170-T326 HydrophobicContact CG-CG2 4.15Å; L171-T326 HydrophobicContact CD2-CG2 4.2Å; L174-T326 VanDerWaalsContact CD1-CB 3.42Å; L174-T326 HydrophobicContact CD1-CG2 4.34Å; L322-T326 HydrophobicContact CD1-CG2 4.02Å; L322-T326 WeakPolarHBondContact O-CB 3.4Å; L322-T326 VanDerWaalsContact O-CG2 3.3Å; L322-T326 WeakPolarHBondContact O-CG2 3.28Å; L322-T326 PolarHBondContact O-N 3.02Å; L322-T326 PolarHBondContact O-OG1 2.89Å; T323-T326 PolarHBondContact O-N 3.45Å
327E93.2Very high91Very high35 Ų3539.9 Ų39.916%0.16422%0.22CC..Iπ-helixtrans-106.4-25.1-178.1-59.7-155.8-139.100113.6K170 L174 R177 N219 T323K170-E327 WeakPolarHBondContact CE-OE1 3.38Å; K170-E327 IonicContact NZ-OE1 2.84Å; K170-E327 PolarHBondContact NZ-OE1 3.32Å; L174-E327 HydrophobicContact CD2-CG 3.98Å; R177-E327 IonicContact CZ-OE2 2.96Å; R177-E327 IonicContact NH1-OE1 3.17Å; R177-E327 IonicContact NH1-OE2 2.76Å; R177-E327 PolarHBondContact NH1-OE2 2.71Å; R177-E327 VanDerWaalsContact NH1-OE2 3.12Å; R177-E327 IonicContact NH2-OE2 3.16Å; N219-E327 WeakPolarHBondContact ND2-CB 3.48Å; N219-E327 PolarHBondContact ND2-O 2.66Å; N219-E327 PolarHBondContact ND2-OE2 3.06Å; T323-E327 HydrophobicContact CG2-CG 4.33Å; T323-E327 WeakPolarHBondContact O-CB 3.14Å; T323-E327 PolarHBondContact O-N 3.04Å
328Y93.8Very high90.3Very high53 Ų5342 Ų4221%0.20823%0.225CC..Iπ-helixtrans-121.6-12.6-178.5-58.9-93.2000114.2S220 Y316 H319 L324 F330S220-Y328 WeakPolarHBondContact O-CD1 3.23Å; Y316-Y328 AromaticContact CD2-CD1 3.73Å; Y316-Y328 HydrophobicContact CD2-CD1 3.73Å; Y316-Y328 AromaticContact CD2-CE1 3.5Å; Y316-Y328 HydrophobicContact CD2-CE1 3.5Å; Y316-Y328 VanDerWaalsContact CD2-CE1 3.5Å; Y316-Y328 HydrophobicContact CD2-CG 4.43Å; Y316-Y328 AromaticContact CE2-CD1 3.84Å; Y316-Y328 HydrophobicContact CE2-CD1 3.84Å; Y316-Y328 AromaticContact CE2-CE1 3.97Å; Y316-Y328 HydrophobicContact CE2-CE1 3.97Å; Y316-Y328 HydrophobicContact CG-CE1 4.32Å; H319-Y328 AromaticContact CD2-CE2 3.76Å; H319-Y328 AromaticContact NE2-CE2 3.79Å; H319-Y328 AromaticContact NE2-CZ 3.83Å; H319-Y328 PolarHBondContact NE2-OH 2.9Å; H319-Y328 VanDerWaalsContact NE2-OH 3.08Å; L324-Y328 HydrophobicContact CD2-CD2 3.99Å; L324-Y328 HydrophobicContact CD2-CE2 4.36Å; L324-Y328 CarbonylContact O-C 3.5Å; L324-Y328 WeakPolarHBondContact O-CA 3.41Å; L324-Y328 WeakPolarHBondContact O-CB 3.38Å; L324-Y328 PolarHBondContact O-N 2.93Å; Y328-F330 VanDerWaalsContact CB-CE1 3.4Å; Y328-F330 HydrophobicContact CG-CE1 4.11Å
329G92.6Very high90Very high27 Ų2738.8 Ų38.828%0.27820%0.197SC..SBendtrans76.727.317600000114.9L324 L325L324-G329 PolarHBondContact O-N 3.32Å; L325-G329 VanDerWaalsContact O-CA 3.24Å; L325-G329 WeakPolarHBondContact O-CA 3.23Å; L325-G329 PolarHBondContact O-N 3.37Å; L325-G329 VanDerWaalsContact O-N 3.17Å
330F92.8Very high89.9Confident58 Ų5839.3 Ų39.325%0.25420%0.202SC..  trans-147.1161.5174.870.9-91.8000112.7H281 Y316 L324 L325 Y328 L332H281-F330 HydrophobicContact CB-CE1 4.48Å; H281-F330 HydrophobicContact CB-CE2 4.17Å; H281-F330 HydrophobicContact CB-CZ 3.57Å; H281-F330 AromaticContact CD2-CZ 3.9Å; Y316-F330 HydrophobicContact CE2-CE1 4.2Å; Y316-F330 HydrophobicContact CE2-CZ 4.37Å; L324-F330 CarbonylContact C-O 3.6Å; L324-F330 HydrophobicContact CB-CE2 4.28Å; L324-F330 HydrophobicContact CB-CZ 4.49Å; L324-F330 VanDerWaalsContact CB-O 3.23Å; L324-F330 WeakPolarHBondContact CB-O 3.3Å; L324-F330 HydrophobicContact CD1-CE2 3.93Å; L324-F330 HydrophobicContact CD1-CZ 4.41Å; L324-F330 HydrophobicContact CD2-CE1 4.39Å; L324-F330 HydrophobicContact CD2-CE2 4.05Å; L324-F330 HydrophobicContact CD2-CZ 3.68Å; L324-F330 HydrophobicContact CG-CE2 4.32Å; L324-F330 HydrophobicContact CG-CZ 4.42Å; L324-F330 PolarHBondContact O-N 2.9Å; L325-F330 WeakPolarHBondContact CA-O 3.16Å; L325-F330 PolarHBondContact N-O 2.65Å; Y328-F330 VanDerWaalsContact CB-CE1 3.4Å; Y328-F330 HydrophobicContact CG-CE1 4.11Å; F330-L332 HydrophobicContact CD2-CD2 4.38Å; F330-L332 HydrophobicContact CE2-CD2 4.01Å; F330-L332 HydrophobicContact CE2-CG 4.23Å
331I94.1Very high89.8Confident16 Ų1639.2 Ų39.28%0.08220%0.201CC..  trans-125137.8179.6-62.2145.3000108.5N321 L325 E560 Y563 Y564 Q567N321-I331 HydrophobicContact CB-CG2 4.23Å; L325-I331 HydrophobicContact CB-CG1 3.93Å; L325-I331 HydrophobicContact CD1-CD1 3.94Å; L325-I331 HydrophobicContact CD1-CG1 4.12Å; L325-I331 HydrophobicContact CD2-CD1 4.29Å; L325-I331 HydrophobicContact CD2-CG1 4.49Å; L325-I331 HydrophobicContact CG-CD1 4.47Å; L325-I331 HydrophobicContact CG-CG1 4.38Å; I331-E560 HydrophobicContact CD1-CB 4.5Å; I331-E560 WeakPolarHBondContact CD1-O 3.3Å; I331-Y563 HydrophobicContact CB-CD1 3.83Å; I331-Y563 HydrophobicContact CB-CE1 3.84Å; I331-Y563 HydrophobicContact CD1-CD1 3.8Å; I331-Y563 HydrophobicContact CG1-CD1 4.47Å; I331-Y563 HydrophobicContact CG2-CD1 3.88Å; I331-Y563 HydrophobicContact CG2-CE1 3.74Å; I331-Y564 HydrophobicContact CG1-CD2 4.48Å; I331-Q567 HydrophobicContact CG2-CB 4.43Å; I331-Q567 HydrophobicContact CG2-CG 3.81Å
332L92.3Very high89.6Confident23 Ų2339.8 Ų39.812%0.1221%0.205CC..PPolyproline II helixtrans-87.6141.7171.2-65179.2000110.6Q283 N321 L324 F330 F334Q283-L332 HydrophobicContact CB-CD1 4.36Å; Q283-L332 HydrophobicContact CG-CD1 4.29Å; N321-L332 PolarHBondContact ND2-O 3.08Å; N321-L332 PolarHBondContact OD1-N 2.88Å; N321-L332 PolarHBondContact OD1-O 2.92Å; L324-L332 HydrophobicContact CD1-CD1 3.7Å; L324-L332 HydrophobicContact CD1-CG 3.72Å; F330-L332 HydrophobicContact CD2-CD2 4.38Å; F330-L332 HydrophobicContact CE2-CD2 4.01Å; F330-L332 HydrophobicContact CE2-CG 4.23Å; L332-F334 PolarHBondContact O-N 2.93Å
333P92Very high89.6Confident74 Ų7439.7 Ų39.748%0.48120%0.204SC..PPolyproline II helixtrans-57.7136.1168.3-19.930.6000110.7D335P333-D335 PolarHBondContact O-N 3.17Å
334F90.2Very high89.5Confident33 Ų3341.7 Ų41.715%0.14521%0.211CC..PPolyproline II helixtrans-67.7128.7178.1176-104.4000111.4L332 E336 T339 L449 Q567 C570 F571 S574L332-F334 PolarHBondContact O-N 2.93Å; F334-E336 HydrophobicContact CE1-CB 4.48Å; F334-E336 HydrophobicContact CE1-CG 3.49Å; F334-E336 VanDerWaalsContact CE1-CG 3.49Å; F334-E336 HydrophobicContact CZ-CB 4.4Å; F334-E336 HydrophobicContact CZ-CG 3.73Å; F334-T339 HydrophobicContact CE2-CG2 3.93Å; F334-L449 HydrophobicContact CE2-CD1 3.9Å; F334-L449 HydrophobicContact CZ-CD1 3.55Å; F334-Q567 HydrophobicContact CB-CB 4.23Å; F334-C570 HydrophobicContact CB-CB 4.29Å; F334-C570 HydrophobicContact CD1-CB 3.45Å; F334-C570 VanDerWaalsContact CD1-CB 3.45Å; F334-C570 HydrophobicContact CE1-CB 4.01Å; F334-C570 HydrophobicContact CG-CB 4.02Å; F334-F571 HydrophobicContact CD2-CB 3.92Å; F334-F571 HydrophobicContact CD2-CD2 4.47Å; F334-F571 HydrophobicContact CE2-CB 3.68Å; F334-F571 AromaticContact CE2-CD2 3.62Å; F334-F571 HydrophobicContact CE2-CD2 3.62Å; F334-F571 HydrophobicContact CE2-CG 4.12Å; F334-F571 HydrophobicContact CZ-CB 4.15Å; F334-F571 HydrophobicContact CZ-CD2 4.19Å; F334-S574 WeakPolarHBondContact CE1-OG 3.22Å
335D86Confident89.4Confident76 Ų7641.7 Ų41.741%0.40621%0.211SC..  trans-131.8115.9171.6-179.2-9.8000109.4P333 K337 N338 T339P333-D335 PolarHBondContact O-N 3.17Å; D335-K337 PolarHBondContact O-N 2.9Å; D335-K337 VanDerWaalsContact O-N 3.11Å; D335-K337 PolarHBondContact OD1-N 2.8Å; D335-N338 CarbonylContact O-C 3.46Å; D335-N338 PolarHBondContact O-N 3.31Å; D335-N338 VanDerWaalsContact O-N 3.12Å; D335-T339 VanDerWaalsContact O-CB 3.24Å; D335-T339 WeakPolarHBondContact O-CB 3.4Å; D335-T339 WeakPolarHBondContact O-CG2 3.44Å
336E74.6Confident89.1Confident93 Ų9341.7 Ų41.744%0.43521%0.211SC..THydrogen-bonded Turntrans-55.2-30.8-178.4-64.9-176.2161.500113.8F334 S574F334-E336 HydrophobicContact CE1-CB 4.48Å; F334-E336 HydrophobicContact CE1-CG 3.49Å; F334-E336 VanDerWaalsContact CE1-CG 3.49Å; F334-E336 HydrophobicContact CZ-CB 4.4Å; F334-E336 HydrophobicContact CZ-CG 3.73Å; E336-S574 WeakPolarHBondContact CG-OG 3.32Å; E336-S574 WeakPolarHBondContact OE1-CB 3.3Å; E336-S574 PolarHBondContact OE1-OG 3.09Å
337K75.7Confident88.9Confident168 Ų16844.8 Ų44.873%0.7322%0.223SC*.THydrogen-bonded Turntrans-83.4-22.8-175.8-67-178.1-179.61780112.6D335 S451D335-K337 PolarHBondContact O-N 2.9Å; D335-K337 VanDerWaalsContact O-N 3.11Å; D335-K337 PolarHBondContact OD1-N 2.8Å; K337-S451 WeakPolarHBondContact O-CB 3.43Å; K337-S451 PolarHBondContact O-OG 3.1Å
338N74Confident88.6Confident68 Ų6848.5 Ų48.536%0.36424%0.235SC..SBendtrans-151.869.8-162-149.73000110.4Q283 N284 D335Q283-N338 PolarHBondContact NE2-O 2.72Å; N284-N338 PolarHBondContact ND2-ND2 3.46Å; N284-N338 PolarHBondContact OD1-ND2 3.04Å; N284-N338 PolarHBondContact OD1-OD1 2.94Å; D335-N338 CarbonylContact O-C 3.46Å; D335-N338 PolarHBondContact O-N 3.31Å; D335-N338 VanDerWaalsContact O-N 3.12Å
339T81.5Confident88.6Confident15 Ų1546.5 Ų46.59%0.09223%0.228CC..  trans-138.9142.8-177.3-174.60000110.6F334 D335 E341 L449F334-T339 HydrophobicContact CE2-CG2 3.93Å; D335-T339 VanDerWaalsContact O-CB 3.24Å; D335-T339 WeakPolarHBondContact O-CB 3.4Å; D335-T339 WeakPolarHBondContact O-CG2 3.44Å; T339-E341 VanDerWaalsContact C-N 3.34Å; T339-E341 HydrophobicContact CG2-CB 4.4Å; T339-E341 VanDerWaalsContact OG1-CB 3.24Å; T339-E341 WeakPolarHBondContact OG1-CB 3.46Å; T339-E341 PolarHBondContact OG1-N 3.18Å; T339-L449 HydrophobicContact CG2-CB 4.37Å; T339-L449 HydrophobicContact CG2-CD1 4.46Å
340N88.8Confident88.6Confident55 Ų5545.2 Ų45.229%0.29421%0.214SC..  trans-97.814.9167.6-62.1-43.4000111.6Q283 V342Q283-N340 PolarHBondContact OE1-ND2 3.06Å; N340-V342 PolarHBondContact O-N 2.73Å
341E92.2Very high88.5Confident2 Ų242.9 Ų42.91%0.00920%0.204CC..  trans-60.3130.9-176.7-166.264.8-155.200111.3N321 T339 F571N321-E341 WeakPolarHBondContact CB-OE2 3.27Å; N321-E341 VanDerWaalsContact CG-OE2 3.26Å; N321-E341 PolarHBondContact N-OE2 2.76Å; N321-E341 PolarHBondContact ND2-OE2 3.47Å; T339-E341 VanDerWaalsContact C-N 3.34Å; T339-E341 HydrophobicContact CG2-CB 4.4Å; T339-E341 VanDerWaalsContact OG1-CB 3.24Å; T339-E341 WeakPolarHBondContact OG1-CB 3.46Å; T339-E341 PolarHBondContact OG1-N 3.18Å; E341-F571 HydrophobicContact CB-CD1 4.39Å; E341-F571 HydrophobicContact CB-CD2 3.82Å; E341-F571 HydrophobicContact CB-CE1 4.46Å; E341-F571 HydrophobicContact CB-CE2 3.84Å; E341-F571 HydrophobicContact CB-CG 4.06Å; E341-F571 HydrophobicContact CB-CZ 4.18Å; E341-F571 HydrophobicContact CG-CB 3.98Å; E341-F571 HydrophobicContact CG-CD1 3.52Å; E341-F571 HydrophobicContact CG-CD2 3.79Å; E341-F571 HydrophobicContact CG-CE1 3.83Å; E341-F571 HydrophobicContact CG-CE2 4.02Å; E341-F571 HydrophobicContact CG-CG 3.48Å; E341-F571 VanDerWaalsContact CG-CG 3.48Å; E341-F571 HydrophobicContact CG-CZ 4.05Å; E341-F571 WeakPolarHBondContact O-CE2 3.49Å; E341-F571 VanDerWaalsContact O-CZ 3.23Å; E341-F571 WeakPolarHBondContact O-CZ 3.22Å
342V91.9Very high88.4Confident19 Ų1945.2 Ų45.212%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-136.6151.2173.4-58.30000111D320 N340 Y344 Y446 L447D320-V342 HydrophobicContact CB-CG2 3.85Å; N340-V342 PolarHBondContact O-N 2.73Å; V342-Y344 HydrophobicContact CG2-CD2 4.21Å; V342-Y344 HydrophobicContact CG2-CE1 4.06Å; V342-Y344 HydrophobicContact CG2-CE2 3.51Å; V342-Y344 VanDerWaalsContact CG2-CZ 3.43Å; V342-Y446 HydrophobicContact CB-CD2 4.17Å; V342-Y446 HydrophobicContact CB-CG 4.37Å; V342-Y446 HydrophobicContact CG1-CD2 3.82Å; V342-Y446 HydrophobicContact CG1-CE2 4.24Å; V342-Y446 HydrophobicContact CG1-CG 4.37Å; V342-L447 CarbonylContact C-O 3.39Å; V342-L447 WeakPolarHBondContact CA-O 3.2Å
343I94.7Very high88.5Confident0 Ų044.3 Ų44.30%021%0.212CC..EExtended strand (participates in β ladder)trans-115.7120.4166.6-70.6166000108.2L345 Y446 L447 L515 R568 F571 I572I343-L345 HydrophobicContact CG2-CD2 4.01Å; I343-Y446 CarbonylContact O-C 3.58Å; I343-Y446 WeakPolarHBondContact O-CA 3.25Å; I343-Y446 WeakPolarHBondContact O-CB 3.41Å; I343-L447 HydrophobicContact CB-CB 4.46Å; I343-L447 PolarHBondContact N-O 2.89Å; I343-L447 PolarHBondContact O-N 3.33Å; I343-L515 HydrophobicContact CD1-CD1 4.27Å; I343-L515 HydrophobicContact CG2-CD1 4.26Å; I343-L515 HydrophobicContact CG2-CD2 4.1Å; I343-R568 HydrophobicContact CD1-CG 4.29Å; I343-F571 HydrophobicContact CB-CE1 4.41Å; I343-F571 HydrophobicContact CD1-CD1 3.76Å; I343-F571 HydrophobicContact CD1-CE1 3.74Å; I343-F571 HydrophobicContact CG1-CD1 4.09Å; I343-F571 HydrophobicContact CG1-CE1 3.76Å; I343-I572 HydrophobicContact CD1-CD1 3.81Å; I343-I572 HydrophobicContact CD1-CG1 3.42Å; I343-I572 VanDerWaalsContact CD1-CG1 3.42Å
344Y92.7Very high88.5Confident55 Ų5540.8 Ų40.822%0.21619%0.189CC..EExtended strand (participates in β ladder)trans-83.1131.4175.7-61.5-75.4000110.1V342 W442 Y446V342-Y344 HydrophobicContact CG2-CD2 4.21Å; V342-Y344 HydrophobicContact CG2-CE1 4.06Å; V342-Y344 HydrophobicContact CG2-CE2 3.51Å; V342-Y344 VanDerWaalsContact CG2-CZ 3.43Å; Y344-W442 WeakPolarHBondContact CD1-O 3.47Å; Y344-Y446 HydrophobicContact CE1-CD1 4.48Å
345L93.2Very high88.5Confident2 Ų241 Ų411%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-98.7123.4174.3-57-171.7000108.9I343 F349 I350 V445 L447 L462 I511 L515I343-L345 HydrophobicContact CG2-CD2 4.01Å; L345-F349 HydrophobicContact CB-CD1 4.13Å; L345-F349 HydrophobicContact CD1-CD1 4.14Å; L345-F349 HydrophobicContact CD1-CE1 3.97Å; L345-F349 HydrophobicContact CD2-CD1 3.89Å; L345-F349 HydrophobicContact CD2-CE1 3.81Å; L345-F349 HydrophobicContact CD2-CG 4.35Å; L345-F349 HydrophobicContact CD2-CZ 4.19Å; L345-F349 HydrophobicContact CG-CD1 4.27Å; L345-F349 HydrophobicContact CG-CE1 4.39Å; L345-I350 HydrophobicContact CB-CD1 4.26Å; L345-I350 HydrophobicContact CB-CG1 4.14Å; L345-V445 PolarHBondContact N-O 2.8Å; L345-L447 HydrophobicContact CD1-CD1 4.48Å; L345-L447 HydrophobicContact CD2-CD1 4.39Å; L345-L462 HydrophobicContact CD1-CD1 3.82Å; L345-L462 HydrophobicContact CD1-CD2 3.62Å; L345-L462 HydrophobicContact CD1-CG 4.37Å; L345-L462 HydrophobicContact CG-CD2 4.21Å; L345-I511 HydrophobicContact CD1-CD1 4.36Å; L345-I511 HydrophobicContact CD1-CG2 4.17Å; L345-L515 HydrophobicContact CD2-CD2 4.37Å
346S90.6Very high88.6Confident1 Ų141 Ų411%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-80.3164.8-179.175.20000112N165 R348 F349 I350 D439 V440N165-S346 WeakPolarHBondContact CB-OG 3.38Å; S346-R348 VanDerWaalsContact C-N 3.31Å; S346-R348 PolarHBondContact O-N 3.09Å; S346-F349 PolarHBondContact O-N 3.44Å; S346-F349 PolarHBondContact OG-N 2.7Å; S346-F349 VanDerWaalsContact OG-N 3.16Å; S346-I350 WeakPolarHBondContact O-CG1 3.09Å; S346-I350 PolarHBondContact O-N 3.15Å; S346-I350 VanDerWaalsContact O-N 3.1Å; S346-D439 VanDerWaalsContact CB-CG 3.49Å; S346-D439 VanDerWaalsContact CB-OD1 3.23Å; S346-D439 WeakPolarHBondContact CB-OD1 3.45Å; S346-D439 WeakPolarHBondContact CB-OD2 3.48Å; S346-D439 VanDerWaalsContact OG-CG 3.26Å; S346-D439 PolarHBondContact OG-OD1 3.4Å; S346-D439 PolarHBondContact OG-OD2 3.35Å; S346-V440 VanDerWaalsContact CA-O 3.32Å; S346-V440 WeakPolarHBondContact CA-O 3.04Å
347Y89.6Confident89.3Confident67 Ų6737.5 Ų37.526%0.26318%0.175SC..Hα-helixtrans-50.3-52.1172174.5-94.2000111.5F349 I350 M351 F409 D439 V440 W442Y347-F349 PolarHBondContact O-N 2.98Å; Y347-I350 PolarHBondContact O-N 3.44Å; Y347-M351 HydrophobicContact CD1-CG 4.13Å; Y347-M351 HydrophobicContact CD2-CG 4.32Å; Y347-M351 HydrophobicContact CE1-CG 3.7Å; Y347-M351 HydrophobicContact CE2-CG 3.93Å; Y347-M351 HydrophobicContact CE2-SD 4.43Å; Y347-M351 HydrophobicContact CG-CG 4.43Å; Y347-M351 WeakPolarHBondContact O-CG 3.4Å; Y347-M351 PolarHBondContact O-N 3.38Å; Y347-F409 AromaticContact CD2-CD1 3.75Å; Y347-F409 HydrophobicContact CD2-CD1 3.75Å; Y347-F409 AromaticContact CD2-CE1 3.59Å; Y347-F409 HydrophobicContact CD2-CE1 3.59Å; Y347-F409 HydrophobicContact CD2-CZ 4.36Å; Y347-F409 AromaticContact CE2-CD1 3.63Å; Y347-F409 HydrophobicContact CE2-CD1 3.63Å; Y347-F409 AromaticContact CE2-CE1 3.99Å; Y347-F409 HydrophobicContact CE2-CE1 3.99Å; Y347-F409 HydrophobicContact CE2-CG 4.26Å; Y347-D439 WeakPolarHBondContact CB-OD1 3.29Å; Y347-D439 PolarHBondContact N-OD1 2.97Å; Y347-D439 VanDerWaalsContact N-OD1 3.14Å; Y347-V440 PolarHBondContact N-O 2.98Å; Y347-W442 HydrophobicContact CD2-CH2 4.22Å; Y347-W442 HydrophobicContact CG-CH2 4.47Å
348R88.1Confident89.7Confident113 Ų11330.4 Ų30.443%0.42615%0.145SC..Hα-helixtrans-62-42.6-179.1-175.6176.3173.7-179.2-0111.6D160 S346 I350 M351 D352 D439D160-R348 IonicContact OD2-NH1 3.07Å; D160-R348 PolarHBondContact OD2-NH1 3.3Å; S346-R348 VanDerWaalsContact C-N 3.31Å; S346-R348 PolarHBondContact O-N 3.09Å; R348-I350 VanDerWaalsContact C-N 3.3Å; R348-I350 PolarHBondContact O-N 3.13Å; R348-M351 PolarHBondContact O-N 3.06Å; R348-D352 WeakPolarHBondContact CG-OD2 3.44Å; R348-D352 IonicContact NE-OD2 2.68Å; R348-D352 VanDerWaalsContact O-CB 3.24Å; R348-D352 WeakPolarHBondContact O-CB 3.47Å; R348-D352 PolarHBondContact O-N 3.19Å; R348-D439 HydrophobicContact CB-CB 4.14Å; R348-D439 WeakPolarHBondContact CB-OD1 3.24Å; R348-D439 WeakPolarHBondContact CB-OD2 3.41Å; R348-D439 PolarHBondContact N-OD1 2.65Å
349F93Very high90.1Very high12 Ų1229.7 Ų29.75%0.05314%0.141CC..Hα-helixtrans-56.9-47.1176.9-177.9-82.1000111.1L345 S346 Y347 L353 I511 I514 L515L345-F349 HydrophobicContact CB-CD1 4.13Å; L345-F349 HydrophobicContact CD1-CD1 4.14Å; L345-F349 HydrophobicContact CD1-CE1 3.97Å; L345-F349 HydrophobicContact CD2-CD1 3.89Å; L345-F349 HydrophobicContact CD2-CE1 3.81Å; L345-F349 HydrophobicContact CD2-CG 4.35Å; L345-F349 HydrophobicContact CD2-CZ 4.19Å; L345-F349 HydrophobicContact CG-CD1 4.27Å; L345-F349 HydrophobicContact CG-CE1 4.39Å; S346-F349 PolarHBondContact O-N 3.44Å; S346-F349 PolarHBondContact OG-N 2.7Å; S346-F349 VanDerWaalsContact OG-N 3.16Å; Y347-F349 PolarHBondContact O-N 2.98Å; F349-L353 VanDerWaalsContact O-CB 3.32Å; F349-L353 WeakPolarHBondContact O-CB 3.46Å; F349-L353 PolarHBondContact O-N 3.44Å; F349-I511 HydrophobicContact CE1-CG1 4.21Å; F349-I511 HydrophobicContact CE1-CG2 4.03Å; F349-I511 HydrophobicContact CZ-CG2 4.02Å; F349-I514 HydrophobicContact CE2-CG2 3.76Å; F349-I514 HydrophobicContact CZ-CB 4.46Å; F349-I514 HydrophobicContact CZ-CG2 4.01Å; F349-L515 HydrophobicContact CE2-CD2 3.9Å; F349-L515 HydrophobicContact CE2-CG 4.5Å; F349-L515 HydrophobicContact CZ-CD2 4.1Å; F349-L515 HydrophobicContact CZ-CG 4.31Å
350I93.1Very high90Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-69.3-42.7-178.7-59.5167.7000110.6L345 S346 Y347 R348 L353 F354 F409 W442 V445 L462 I465 M469L345-I350 HydrophobicContact CB-CD1 4.26Å; L345-I350 HydrophobicContact CB-CG1 4.14Å; S346-I350 WeakPolarHBondContact O-CG1 3.09Å; S346-I350 PolarHBondContact O-N 3.15Å; S346-I350 VanDerWaalsContact O-N 3.1Å; Y347-I350 PolarHBondContact O-N 3.44Å; R348-I350 VanDerWaalsContact C-N 3.3Å; R348-I350 PolarHBondContact O-N 3.13Å; I350-L353 WeakPolarHBondContact O-CB 3.49Å; I350-L353 PolarHBondContact O-N 3.45Å; I350-F354 HydrophobicContact CG2-CD2 3.82Å; I350-F354 HydrophobicContact CG2-CE2 3.86Å; I350-F354 VanDerWaalsContact O-CD2 3.25Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å; I350-F354 PolarHBondContact O-N 2.87Å; I350-F354 VanDerWaalsContact O-N 3.14Å; I350-F409 HydrophobicContact CB-CE2 4.16Å; I350-F409 HydrophobicContact CB-CZ 4.46Å; I350-F409 HydrophobicContact CD1-CE2 4.35Å; I350-F409 HydrophobicContact CD1-CZ 4.09Å; I350-F409 HydrophobicContact CG2-CD2 4.49Å; I350-F409 HydrophobicContact CG2-CE2 3.62Å; I350-F409 HydrophobicContact CG2-CZ 4.35Å; I350-W442 HydrophobicContact CD1-CZ3 4.45Å; I350-V445 HydrophobicContact CD1-CG1 4.23Å; I350-L462 HydrophobicContact CD1-CD1 4.29Å; I350-I465 HydrophobicContact CD1-CG2 4.37Å; I350-I465 HydrophobicContact CG2-CG2 4.34Å; I350-M469 HydrophobicContact CG2-CE 4.11Å; I350-M469 HydrophobicContact CG2-SD 3.49Å; I350-M469 WeakPolarHBondContact CG2-SD 3.31Å
351M91.3Very high89.2Confident9 Ų932.8 Ų32.84%0.04416%0.158CC..Hα-helixtrans-63.6-45.3177.2-71.1-61.3-73.100112.2Y347 R348 L353 F354 H355 L405 F409 M469Y347-M351 HydrophobicContact CD1-CG 4.13Å; Y347-M351 HydrophobicContact CD2-CG 4.32Å; Y347-M351 HydrophobicContact CE1-CG 3.7Å; Y347-M351 HydrophobicContact CE2-CG 3.93Å; Y347-M351 HydrophobicContact CE2-SD 4.43Å; Y347-M351 HydrophobicContact CG-CG 4.43Å; Y347-M351 WeakPolarHBondContact O-CG 3.4Å; Y347-M351 PolarHBondContact O-N 3.38Å; R348-M351 PolarHBondContact O-N 3.06Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 2.9Å; M351-F354 PolarHBondContact O-N 3.42Å; M351-F354 VanDerWaalsContact O-N 3.14Å; M351-H355 WeakPolarHBondContact O-CB 3.48Å; M351-H355 PolarHBondContact O-CD2 3.41Å; M351-H355 VanDerWaalsContact O-CG 3.3Å; M351-H355 PolarHBondContact O-N 2.91Å; M351-L405 HydrophobicContact CE-CD2 4.32Å; M351-L405 HydrophobicContact CE-CG 4.4Å; M351-F409 HydrophobicContact SD-CB 4.28Å; M351-F409 HydrophobicContact SD-CD2 4.27Å; M351-F409 HydrophobicContact SD-CG 4.32Å; M351-M469 HydrophobicContact SD-CE 4.11Å
352D91.4Very high88.2Confident65 Ų6535.4 Ų35.435%0.34817%0.171SC..Hα-helixtrans-61.6-40.6176.5-72.4-13.6000111R348 F354 H355 N356R348-D352 WeakPolarHBondContact CG-OD2 3.44Å; R348-D352 IonicContact NE-OD2 2.68Å; R348-D352 VanDerWaalsContact O-CB 3.24Å; R348-D352 WeakPolarHBondContact O-CB 3.47Å; R348-D352 PolarHBondContact O-N 3.19Å; D352-F354 VanDerWaalsContact C-N 3.3Å; D352-F354 PolarHBondContact O-N 3.24Å; D352-H355 PolarHBondContact O-N 3.42Å; D352-N356 VanDerWaalsContact O-CB 3.3Å; D352-N356 WeakPolarHBondContact O-CB 3.25Å; D352-N356 VanDerWaalsContact O-CG 3.25Å; D352-N356 PolarHBondContact O-N 3.19Å; D352-N356 PolarHBondContact O-ND2 3.04Å
353L94.1Very high87.1Confident3 Ų339 Ų392%0.01619%0.193CC..Hα-helixtrans-55.4-46.3174.1174.467.5000111.4F349 I350 M351 L357 L466 L507 R510 I511 I514F349-L353 VanDerWaalsContact O-CB 3.32Å; F349-L353 WeakPolarHBondContact O-CB 3.46Å; F349-L353 PolarHBondContact O-N 3.44Å; I350-L353 WeakPolarHBondContact O-CB 3.49Å; I350-L353 PolarHBondContact O-N 3.45Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 2.9Å; L353-L357 HydrophobicContact CG-CD1 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 3.32Å; L353-L357 VanDerWaalsContact O-N 3.14Å; L353-L466 HydrophobicContact CD2-CD2 4.16Å; L353-L507 HydrophobicContact CD1-CD1 3.88Å; L353-L507 HydrophobicContact CD2-CD1 3.68Å; L353-L507 HydrophobicContact CD2-CD2 4.45Å; L353-L507 HydrophobicContact CD2-CG 4.12Å; L353-L507 HydrophobicContact CG-CD1 3.89Å; L353-R510 HydrophobicContact CD1-CG 4.2Å; L353-I511 HydrophobicContact CD1-CG1 4.24Å; L353-I511 HydrophobicContact CD2-CD1 3.71Å; L353-I511 HydrophobicContact CD2-CG1 3.57Å; L353-I514 HydrophobicContact CD1-CD1 3.73Å
354F92.6Very high85.4Confident0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-81-31.8-177.1-78.6-71.9000114.2I350 M351 D352 L357 I358 L405 L466 M469 I473 L507I350-F354 HydrophobicContact CG2-CD2 3.82Å; I350-F354 HydrophobicContact CG2-CE2 3.86Å; I350-F354 VanDerWaalsContact O-CD2 3.25Å; I350-F354 WeakPolarHBondContact O-CD2 3.49Å; I350-F354 PolarHBondContact O-N 2.87Å; I350-F354 VanDerWaalsContact O-N 3.14Å; M351-F354 PolarHBondContact O-N 3.42Å; M351-F354 VanDerWaalsContact O-N 3.14Å; D352-F354 VanDerWaalsContact C-N 3.3Å; D352-F354 PolarHBondContact O-N 3.24Å; F354-L357 HydrophobicContact CD1-CD1 3.6Å; F354-L357 HydrophobicContact CE1-CD1 3.93Å; F354-L357 HydrophobicContact CG-CD1 4.35Å; F354-L357 WeakPolarHBondContact O-CB 3.42Å; F354-L357 PolarHBondContact O-N 3.06Å; F354-I358 WeakPolarHBondContact O-CG1 3.1Å; F354-I358 PolarHBondContact O-N 2.97Å; F354-L405 HydrophobicContact CB-CD2 3.78Å; F354-L466 HydrophobicContact CE2-CD2 3.98Å; F354-L466 HydrophobicContact CZ-CD2 4.33Å; F354-M469 HydrophobicContact CB-CE 3.96Å; F354-M469 HydrophobicContact CD1-CB 4.28Å; F354-M469 HydrophobicContact CD2-CB 4.02Å; F354-M469 HydrophobicContact CD2-CE 3.15Å; F354-M469 HydrophobicContact CD2-CG 4.42Å; F354-M469 HydrophobicContact CD2-SD 3.41Å; F354-M469 WeakPolarHBondContact CD2-SD 3.49Å; F354-M469 HydrophobicContact CE1-CB 3.73Å; F354-M469 HydrophobicContact CE2-CB 3.48Å; F354-M469 VanDerWaalsContact CE2-CB 3.48Å; F354-M469 HydrophobicContact CE2-CE 3.7Å; F354-M469 HydrophobicContact CE2-CG 4.05Å; F354-M469 HydrophobicContact CE2-SD 3.26Å; F354-M469 WeakPolarHBondContact CE2-SD 3.44Å; F354-M469 HydrophobicContact CG-CB 4.38Å; F354-M469 HydrophobicContact CG-CE 3.66Å; F354-M469 HydrophobicContact CG-SD 4.36Å; F354-M469 HydrophobicContact CZ-CB 3.28Å; F354-M469 HydrophobicContact CZ-CG 4.32Å; F354-M469 HydrophobicContact CZ-SD 4.09Å; F354-I473 HydrophobicContact CB-CD1 3.92Å; F354-I473 HydrophobicContact CD1-CD1 3.24Å; F354-I473 HydrophobicContact CE1-CD1 4.03Å; F354-I473 HydrophobicContact CG-CD1 3.94Å; F354-L507 HydrophobicContact CE1-CD2 3.97Å; F354-L507 HydrophobicContact CE2-CD2 4.29Å; F354-L507 HydrophobicContact CZ-CD2 3.5Å
355H89.9Confident83.8Confident38 Ų3845.6 Ų45.618%0.17624%0.235CC..Hα-helixtrans-59.7-48.1167.9-70.1-26.8000110.9M351 D352 L357 I358 D359 Y402M351-H355 WeakPolarHBondContact O-CB 3.48Å; M351-H355 PolarHBondContact O-CD2 3.41Å; M351-H355 VanDerWaalsContact O-CG 3.3Å; M351-H355 PolarHBondContact O-N 2.91Å; D352-H355 PolarHBondContact O-N 3.42Å; H355-L357 VanDerWaalsContact C-N 3.27Å; H355-L357 PolarHBondContact O-N 3.4Å; H355-I358 WeakPolarHBondContact O-CB 3.44Å; H355-I358 PolarHBondContact O-N 3.13Å; H355-I358 VanDerWaalsContact O-N 3.12Å; H355-D359 VanDerWaalsContact O-CG 3.3Å; H355-D359 PolarHBondContact O-N 3.44Å; H355-Y402 HydrophobicContact CB-CE1 4.13Å; H355-Y402 VanDerWaalsContact CE1-CB 3.47Å; H355-Y402 WeakPolarHBondContact CE1-CB 3.27Å; H355-Y402 AromaticContact CE1-CD1 3.41Å; H355-Y402 VanDerWaalsContact CE1-CD1 3.41Å; H355-Y402 WeakPolarHBondContact CE1-CD1 3.45Å; H355-Y402 AromaticContact CE1-CG 3.47Å; H355-Y402 VanDerWaalsContact CE1-CG 3.47Å; H355-Y402 AromaticContact CG-CD1 3.98Å; H355-Y402 AromaticContact CG-CE1 3.95Å; H355-Y402 AromaticContact ND1-CD1 3.04Å; H355-Y402 WeakPolarHBondContact ND1-CD1 3.11Å; H355-Y402 AromaticContact ND1-CE1 3.39Å; H355-Y402 WeakPolarHBondContact ND1-CE1 3.19Å; H355-Y402 AromaticContact ND1-CG 3.58Å
356N88.5Confident82Confident77 Ų7747 Ų4741%0.41225%0.245SC..Hα-helixtrans-62.1-33.1176.8-75.7-51.2000113D352 S360D352-N356 VanDerWaalsContact O-CB 3.3Å; D352-N356 WeakPolarHBondContact O-CB 3.25Å; D352-N356 VanDerWaalsContact O-CG 3.25Å; D352-N356 PolarHBondContact O-N 3.19Å; D352-N356 PolarHBondContact O-ND2 3.04Å; N356-S360 WeakPolarHBondContact O-CB 3.34Å; N356-S360 PolarHBondContact O-N 3.48Å; N356-S360 PolarHBondContact O-OG 2.91Å
357L87.8Confident80Confident19 Ų1949.7 Ų49.710%0.09926%0.264CS..Hα-helixtrans-64.4-50172.5-78.2164.4000111L353 F354 H355 D359 S360 F361 L507L353-L357 HydrophobicContact CG-CD1 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 3.32Å; L353-L357 VanDerWaalsContact O-N 3.14Å; F354-L357 HydrophobicContact CD1-CD1 3.6Å; F354-L357 HydrophobicContact CE1-CD1 3.93Å; F354-L357 HydrophobicContact CG-CD1 4.35Å; F354-L357 WeakPolarHBondContact O-CB 3.42Å; F354-L357 PolarHBondContact O-N 3.06Å; H355-L357 VanDerWaalsContact C-N 3.27Å; H355-L357 PolarHBondContact O-N 3.4Å; L357-D359 VanDerWaalsContact C-N 3.31Å; L357-D359 PolarHBondContact O-N 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.23Å; L357-S360 PolarHBondContact O-N 3.39Å; L357-F361 HydrophobicContact CB-CE2 4.25Å; L357-F361 HydrophobicContact CD2-CE2 4.48Å; L357-F361 WeakPolarHBondContact O-CD2 3.4Å; L357-F361 PolarHBondContact O-N 3.36Å; L357-L507 HydrophobicContact CD1-CD1 3.63Å
358I84.3Confident78Confident18 Ų1850.9 Ų50.99%0.09227%0.274CS..Hα-helixtrans-55.9-46.7176.9-68.8166.4000110.6F354 H355 S360 F361 I362 L398 Y402 L405 I473F354-I358 WeakPolarHBondContact O-CG1 3.1Å; F354-I358 PolarHBondContact O-N 2.97Å; H355-I358 WeakPolarHBondContact O-CB 3.44Å; H355-I358 PolarHBondContact O-N 3.13Å; H355-I358 VanDerWaalsContact O-N 3.12Å; I358-S360 VanDerWaalsContact C-N 3.34Å; I358-S360 PolarHBondContact O-N 3.18Å; I358-F361 WeakPolarHBondContact O-CB 3.32Å; I358-F361 PolarHBondContact O-N 3.14Å; I358-F361 VanDerWaalsContact O-N 3.13Å; I358-I362 HydrophobicContact CG2-CD1 3.74Å; I358-I362 HydrophobicContact CG2-CG1 4.44Å; I358-I362 WeakPolarHBondContact O-CG1 3.42Å; I358-I362 PolarHBondContact O-N 3.07Å; I358-L398 HydrophobicContact CG2-CD1 3.92Å; I358-Y402 HydrophobicContact CB-CE1 4.33Å; I358-Y402 HydrophobicContact CD1-CD1 4.18Å; I358-Y402 HydrophobicContact CD1-CE1 4.25Å; I358-Y402 HydrophobicContact CG2-CE1 4.08Å; I358-L405 HydrophobicContact CD1-CD2 4.01Å; I358-I473 HydrophobicContact CD1-CD1 4.17Å; I358-I473 HydrophobicContact CD1-CG1 4.27Å; I358-I473 HydrophobicContact CG1-CD1 4.11Å; I358-I473 HydrophobicContact CG1-CG1 4.25Å; I358-I473 HydrophobicContact CG1-CG2 4.3Å
359D82.3Confident75.8Confident54 Ų5449.8 Ų49.829%0.28928%0.283SS..Hα-helixtrans-63.8-40-179.5-67-10.4000112.5H355 L357 F361 I362 T363 Y402H355-D359 VanDerWaalsContact O-CG 3.3Å; H355-D359 PolarHBondContact O-N 3.44Å; L357-D359 VanDerWaalsContact C-N 3.31Å; L357-D359 PolarHBondContact O-N 3.3Å; D359-F361 VanDerWaalsContact C-N 3.31Å; D359-F361 PolarHBondContact O-N 3.24Å; D359-I362 PolarHBondContact O-N 2.8Å; D359-T363 WeakPolarHBondContact O-CB 3.19Å; D359-T363 PolarHBondContact O-N 2.73Å; D359-T363 PolarHBondContact O-OG1 2.92Å; D359-Y402 VanDerWaalsContact CG-OH 3.31Å; D359-Y402 PolarHBondContact OD1-OH 3.39Å; D359-Y402 PolarHBondContact OD2-OH 2.65Å
360S79.8Confident73.6Confident56 Ų5656.4 Ų56.439%0.39232%0.318SS..Hα-helixtrans-60.6-42.5174.5-57.40000110.9N356 L357 I358 T363 L364N356-S360 WeakPolarHBondContact O-CB 3.34Å; N356-S360 PolarHBondContact O-N 3.48Å; N356-S360 PolarHBondContact O-OG 2.91Å; L357-S360 WeakPolarHBondContact O-CB 3.23Å; L357-S360 PolarHBondContact O-N 3.39Å; I358-S360 VanDerWaalsContact C-N 3.34Å; I358-S360 PolarHBondContact O-N 3.18Å; S360-T363 PolarHBondContact O-N 3.13Å; S360-L364 PolarHBondContact O-N 2.88Å; S360-L364 VanDerWaalsContact O-N 3.09Å
361F73.1Confident71.3Confident78 Ų7861 Ų6134%0.34235%0.35SS..Hα-helixtrans-66.2-44.1178.2-72-61.8000112.6L357 I358 D359 T363 L364 T365 I473L357-F361 HydrophobicContact CB-CE2 4.25Å; L357-F361 HydrophobicContact CD2-CE2 4.48Å; L357-F361 WeakPolarHBondContact O-CD2 3.4Å; L357-F361 PolarHBondContact O-N 3.36Å; I358-F361 WeakPolarHBondContact O-CB 3.32Å; I358-F361 PolarHBondContact O-N 3.14Å; I358-F361 VanDerWaalsContact O-N 3.13Å; D359-F361 VanDerWaalsContact C-N 3.31Å; D359-F361 PolarHBondContact O-N 3.24Å; F361-T363 VanDerWaalsContact C-N 3.3Å; F361-T363 PolarHBondContact O-N 3.11Å; F361-L364 PolarHBondContact O-N 3.42Å; F361-T365 WeakPolarHBondContact O-CG2 3.14Å; F361-T365 PolarHBondContact O-N 2.92Å; F361-T365 PolarHBondContact O-OG1 3.26Å; F361-T365 VanDerWaalsContact O-OG1 3.11Å; F361-I473 HydrophobicContact CD2-CG2 4.43Å; F361-I473 HydrophobicContact CE2-CG2 4.31Å
362I70Confident68.8Low57 Ų5764.4 Ų64.429%0.29238%0.375SS..Hα-helixtrans-65.1-37.5179.2-66.9170.6000110.9I358 D359 T365 S366 L398I358-I362 HydrophobicContact CG2-CD1 3.74Å; I358-I362 HydrophobicContact CG2-CG1 4.44Å; I358-I362 WeakPolarHBondContact O-CG1 3.42Å; I358-I362 PolarHBondContact O-N 3.07Å; D359-I362 PolarHBondContact O-N 2.8Å; I362-T365 WeakPolarHBondContact CA-OG1 3.18Å; I362-T365 PolarHBondContact O-OG1 3.23Å; I362-S366 WeakPolarHBondContact O-CB 3.47Å; I362-S366 PolarHBondContact O-N 3.05Å; I362-S366 VanDerWaalsContact O-N 3.09Å; I362-S366 PolarHBondContact O-OG 3.41Å; I362-L398 HydrophobicContact CD1-CD1 3.55Å
363T68.3Low66Low94 Ų9467.2 Ų67.258%0.57740%0.398SS*.Hα-helixtrans-66.6-40.4177.1-54.80000111.4D359 S360 F361 S366 S367D359-T363 WeakPolarHBondContact O-CB 3.19Å; D359-T363 PolarHBondContact O-N 2.73Å; D359-T363 PolarHBondContact O-OG1 2.92Å; S360-T363 PolarHBondContact O-N 3.13Å; F361-T363 VanDerWaalsContact C-N 3.3Å; F361-T363 PolarHBondContact O-N 3.11Å; T363-S366 PolarHBondContact O-N 3.16Å; T363-S367 PolarHBondContact O-N 3.04Å; T363-S367 VanDerWaalsContact O-N 3.16Å; T363-S367 PolarHBondContact O-OG 2.62Å
364L60.5Low63Low108 Ų10874.2 Ų74.257%0.56544%0.435SS*.Hα-helixtrans-66.9-44.5178.2-149.394.9000112.3S360 F361 S366 S367 I368S360-L364 PolarHBondContact O-N 2.88Å; S360-L364 VanDerWaalsContact O-N 3.09Å; F361-L364 PolarHBondContact O-N 3.42Å; L364-S366 VanDerWaalsContact C-N 3.32Å; L364-S366 PolarHBondContact O-N 3.4Å; L364-S367 WeakPolarHBondContact CA-OG 3.17Å; L364-S367 PolarHBondContact O-N 3.06Å; L364-S367 PolarHBondContact O-OG 2.76Å; L364-I368 HydrophobicContact CD2-CD1 4.13Å; L364-I368 HydrophobicContact CG-CD1 4.33Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.47Å; L364-I368 PolarHBondContact O-N 3.49Å; L364-I368 VanDerWaalsContact O-N 3.12Å
365T58.1Low60.2Low87 Ų8780.1 Ų80.153%0.53448%0.477SS..Hα-helixtrans-64.9-36.3177.951.30000112.3F361 I362 S367 S369F361-T365 WeakPolarHBondContact O-CG2 3.14Å; F361-T365 PolarHBondContact O-N 2.92Å; F361-T365 PolarHBondContact O-OG1 3.26Å; F361-T365 VanDerWaalsContact O-OG1 3.11Å; I362-T365 WeakPolarHBondContact CA-OG1 3.18Å; I362-T365 PolarHBondContact O-OG1 3.23Å; T365-S367 VanDerWaalsContact C-N 3.34Å; T365-S369 PolarHBondContact O-N 3.01Å; T365-S369 PolarHBondContact O-OG 3.44Å
366S56.1Low57.4Low30 Ų3082.8 Ų82.821%0.2151%0.505CS..Hα-helixtrans-70.1-27.6177.1-57.30000113.6I362 T363 L364 S369 I370 K394I362-S366 WeakPolarHBondContact O-CB 3.47Å; I362-S366 PolarHBondContact O-N 3.05Å; I362-S366 VanDerWaalsContact O-N 3.09Å; I362-S366 PolarHBondContact O-OG 3.41Å; T363-S366 PolarHBondContact O-N 3.16Å; L364-S366 VanDerWaalsContact C-N 3.32Å; L364-S366 PolarHBondContact O-N 3.4Å; S366-S369 PolarHBondContact O-OG 3.26Å; S366-I370 WeakPolarHBondContact O-CD1 3.15Å; S366-K394 PolarHBondContact OG-NZ 2.87Å
367S48.8Very low54.7Low59 Ų5985.1 Ų85.141%0.41352%0.523SS..Hα-helixtrans-85.5-34.5-179.940.20000112.2T363 L364 T365 S369 I370T363-S367 PolarHBondContact O-N 3.04Å; T363-S367 VanDerWaalsContact O-N 3.16Å; T363-S367 PolarHBondContact O-OG 2.62Å; L364-S367 WeakPolarHBondContact CA-OG 3.17Å; L364-S367 PolarHBondContact O-N 3.06Å; L364-S367 PolarHBondContact O-OG 2.76Å; T365-S367 VanDerWaalsContact C-N 3.34Å; S367-S369 VanDerWaalsContact C-N 3.32Å; S367-S369 PolarHBondContact O-N 3.19Å; S367-I370 PolarHBondContact O-N 3.16Å
368I47Very low52.2Low92 Ų9291.2 Ų91.247%0.47256%0.56SS.*Hα-helixtrans-65.5-35.7175.6-67.7166.3000111.8L364 I370 S371 S372L364-I368 HydrophobicContact CD2-CD1 4.13Å; L364-I368 HydrophobicContact CG-CD1 4.33Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.47Å; L364-I368 PolarHBondContact O-N 3.49Å; L364-I368 VanDerWaalsContact O-N 3.12Å; I368-I370 PolarHBondContact O-N 3.4Å; I368-S371 PolarHBondContact O-N 3.03Å; I368-S372 PolarHBondContact O-OG 3.14Å
369S42.8Very low49.6Very low89 Ų8994.7 Ų94.762%0.62259%0.586SS**Hα-helixtrans-68.9-13.4178.925.30000113.7T365 S366 S367T365-S369 PolarHBondContact O-N 3.01Å; T365-S369 PolarHBondContact O-OG 3.44Å; S366-S369 PolarHBondContact O-OG 3.26Å; S367-S369 VanDerWaalsContact C-N 3.32Å; S367-S369 PolarHBondContact O-N 3.19Å
370I46.8Very low47.3Very low152 Ų15297 Ų9778%0.77960%0.598SS**Hα-helixtrans-97.8-18.3178.4-60.7172.1000111.8S366 S367 I368S366-I370 WeakPolarHBondContact O-CD1 3.15Å; S367-I370 PolarHBondContact O-N 3.16Å; I368-I370 PolarHBondContact O-N 3.4Å
371S44.6Very low45.2Very low97 Ų97100 Ų10068%0.67861%0.609SS**Hα-helixtrans-110.21.2-170.670.30000116.1I368I368-S371 PolarHBondContact O-N 3.03Å
372S37.3Very low43.5Very low80 Ų80100.9 Ų100.956%0.55962%0.621SS**  trans-128.679.3-179.654.40000112.3I368I368-S372 PolarHBondContact O-OG 3.14Å
373C32.6Very low41.9Very low124 Ų124104.1 Ų104.184%0.83864%0.635SS**  trans-77.4129.1148.7-79.80000107.2
374D30.8Very low40.4Very low149 Ų149104.8 Ų104.880%0.79764%0.643SS**SBendtrans95.1121.4175.5-54.4-26.4000116.9
375S33.9Very low39.2Very low125 Ų125104 Ų10487%0.87464%0.636SS**  trans95.4119.1172.778.30000116.9
376A31.1Very low38Very low93 Ų93105.6 Ų105.677%0.76965%0.645SS**  trans-58.1161.2-170.900000115.4
377T32.7Very low37.1Very low127 Ų127110.6 Ų110.678%0.77967%0.67SS**  trans112.328.7152.9-150000118.9
378V34.3Very low36.5Very low147 Ų147116 Ų11689%0.89169%0.694SS**  trans-13872.2165.5-168.80000109.9
379S29.7Very low36.3Very low90 Ų90117.7 Ų117.763%0.62970%0.7SS**  trans-109.8-3.9-168.4-400000116.8
380N34Very low36.7Very low103 Ų103117.4 Ų117.455%0.55170%0.695SS**SBendtrans-112.722.7-165.5-70.220.3000115.8E383 N479N380-E383 WeakPolarHBondContact CB-OE1 3.28Å; N380-E383 PolarHBondContact ND2-OE1 3.49Å; N380-E383 PolarHBondContact OD1-OE1 2.9Å; N380-N479 PolarHBondContact O-ND2 3.38Å
381L37.6Very low36.7Very low119 Ų119114.8 Ų114.862%0.62369%0.685SS**SBendtrans-117.19.1172.1-108.4135.2000114.1N479L381-N479 HydrophobicContact CD1-CB 4.02Å; L381-N479 HydrophobicContact CG-CB 4.49Å; L381-N479 WeakPolarHBondContact CG-ND2 3.39Å; L381-N479 WeakPolarHBondContact CG-OD1 3.4Å
382V37.4Very low36.6Very low97 Ų97116.6 Ų116.659%0.58868%0.683SS**SBendtrans-125.78.9177.5-171.40000110.9S384 F385V382-S384 PolarHBondContact O-N 3.06Å; V382-S384 VanDerWaalsContact O-N 3.14Å; V382-F385 HydrophobicContact CG1-CB 3.93Å; V382-F385 HydrophobicContact CG1-CD2 4.07Å; V382-F385 HydrophobicContact CG1-CG 4.45Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.23Å; V382-F385 VanDerWaalsContact O-N 3.09Å
383E36.1Very low37Very low124 Ų124114.7 Ų114.758%0.57967%0.667SS**THydrogen-bonded Turntrans-53.8124.4-177.3-69.7-175.9-178.200109.3N380N380-E383 WeakPolarHBondContact CB-OE1 3.28Å; N380-E383 PolarHBondContact ND2-OE1 3.49Å; N380-E383 PolarHBondContact OD1-OE1 2.9Å
384S35Very low37.8Very low109 Ų109113.9 Ų113.976%0.76265%0.649SS**THydrogen-bonded Turntrans92-3.7-176.576.10000119.2V382 T386V382-S384 PolarHBondContact O-N 3.06Å; V382-S384 VanDerWaalsContact O-N 3.14Å; S384-T386 VanDerWaalsContact C-N 3.32Å; S384-T386 PolarHBondContact O-N 2.83Å; S384-T386 VanDerWaalsContact O-N 3.08Å
385F36.8Very low38.8Very low92 Ų92114.2 Ų114.240%0.40464%0.643SS.*  trans-89.462.9174-63.2-77.5000113.4V382 T390 D393V382-F385 HydrophobicContact CG1-CB 3.93Å; V382-F385 HydrophobicContact CG1-CD2 4.07Å; V382-F385 HydrophobicContact CG1-CG 4.45Å; V382-F385 WeakPolarHBondContact O-CD2 3.48Å; V382-F385 PolarHBondContact O-N 3.23Å; V382-F385 VanDerWaalsContact O-N 3.09Å; F385-T390 HydrophobicContact CB-CG2 4.5Å; F385-T390 HydrophobicContact CD1-CG2 4.35Å; F385-D393 HydrophobicContact CE1-CB 4.17Å
386T33.4Very low40Very low120 Ų120114.3 Ų114.374%0.73663%0.628SS**  trans-89.1128.9155.249.10000107.9S384S384-T386 VanDerWaalsContact C-N 3.32Å; S384-T386 PolarHBondContact O-N 2.83Å; S384-T386 VanDerWaalsContact O-N 3.08Å
387D35.9Very low41.5Very low135 Ų135113.4 Ų113.472%0.72261%0.61SS**SBendtrans83.795.9174-55.9-26.7000117.4Q389D387-Q389 VanDerWaalsContact C-N 3.35Å; D387-Q389 PolarHBondContact O-N 2.91Å
388N37.5Very low43.3Very low171 Ų171109.5 Ų109.591%0.91458%0.584SS**SBendtrans47.820.1141.7-71-16.5000121.9
389Q42.3Very low45.2Very low128 Ų128106.1 Ų106.160%0.59857%0.565SS**  trans-116.116.7-179.3-90.1169-20.300116.7D387 V391 E392D387-Q389 VanDerWaalsContact C-N 3.35Å; D387-Q389 PolarHBondContact O-N 2.91Å; Q389-V391 PolarHBondContact O-N 3.33Å; Q389-V391 VanDerWaalsContact O-N 3.11Å; Q389-E392 PolarHBondContact O-N 3.32Å
390T50.8Low47.3Very low84 Ų84108 Ų10852%0.51556%0.564SS.*THydrogen-bonded Turntrans-74.5-3.5-160.548.60000118.5F385F385-T390 HydrophobicContact CB-CG2 4.5Å; F385-T390 HydrophobicContact CD1-CG2 4.35Å
391V46.3Very low49.4Very low97 Ų97106.6 Ų106.659%0.58855%0.553SS**THydrogen-bonded Turntrans-98.5-42.2175.6178.90000111.3Q389 D393 K394 F395Q389-V391 PolarHBondContact O-N 3.33Å; Q389-V391 VanDerWaalsContact O-N 3.11Å; V391-D393 VanDerWaalsContact C-N 3.34Å; V391-D393 PolarHBondContact O-N 2.75Å; V391-K394 PolarHBondContact O-N 2.79Å; V391-F395 HydrophobicContact CG1-CD2 3.98Å; V391-F395 HydrophobicContact CG1-CE2 3.67Å; V391-F395 WeakPolarHBondContact O-CD2 3.37Å; V391-F395 PolarHBondContact O-N 3.1Å
392E43.8Very low51.6Low134 Ų134103.6 Ų103.663%0.62653%0.534SS*.Hα-helixtrans-65.4-35-176.7-115.5175.917100112.9Q389 F395 K396Q389-E392 PolarHBondContact O-N 3.32Å; E392-F395 PolarHBondContact O-N 2.92Å; E392-K396 PolarHBondContact O-N 3.3Å
393D45.8Very low53.6Low40 Ų40106.5 Ų106.521%0.21454%0.535CS..Hα-helixtrans-78.5-29.1-179.6-67-33.1000112.9F385 V391 F395 K396 I397F385-D393 HydrophobicContact CE1-CB 4.17Å; V391-D393 VanDerWaalsContact C-N 3.34Å; V391-D393 PolarHBondContact O-N 2.75Å; D393-F395 VanDerWaalsContact C-N 3.26Å; D393-F395 PolarHBondContact O-N 2.84Å; D393-K396 PolarHBondContact O-N 2.81Å; D393-K396 VanDerWaalsContact O-N 3.11Å; D393-K396 IonicContact OD1-NZ 2.72Å; D393-K396 PolarHBondContact OD1-NZ 3.05Å; D393-I397 WeakPolarHBondContact O-CG1 3.35Å; D393-I397 PolarHBondContact O-N 3.44Å
394K48.6Very low55.8Low108 Ų108103 Ų10347%0.4753%0.525SS..Hα-helixtrans-59.6-39.5169-77.8-176.3176.8-1780111.4S366 V391 K396 I397 L398S366-K394 PolarHBondContact OG-NZ 2.87Å; V391-K394 PolarHBondContact O-N 2.79Å; K394-K396 VanDerWaalsContact C-N 3.26Å; K394-K396 PolarHBondContact O-N 3.29Å; K394-I397 PolarHBondContact O-N 3.4Å; K394-L398 PolarHBondContact O-N 2.8Å
395F52.5Low58.2Low155 Ų15597.9 Ų97.968%0.6849%0.489SS*.Hα-helixtrans-67.7-20.8176.9-81.8-73.2000113.9V391 E392 D393 P399V391-F395 HydrophobicContact CG1-CD2 3.98Å; V391-F395 HydrophobicContact CG1-CE2 3.67Å; V391-F395 WeakPolarHBondContact O-CD2 3.37Å; V391-F395 PolarHBondContact O-N 3.1Å; E392-F395 PolarHBondContact O-N 2.92Å; D393-F395 VanDerWaalsContact C-N 3.26Å; D393-F395 PolarHBondContact O-N 2.84Å; F395-P399 VanDerWaalsContact O-CD 3.24Å; F395-P399 WeakPolarHBondContact O-CD 3.27Å; F395-P399 WeakPolarHBondContact O-CG 3.4Å
396K58.7Low60.6Low128 Ų12893.9 Ų93.956%0.55747%0.473SS*.Hα-helixtrans-87.1-33.1176.7-70.2175.2-170.8155.60113.5E392 D393 K394E392-K396 PolarHBondContact O-N 3.3Å; D393-K396 PolarHBondContact O-N 2.81Å; D393-K396 VanDerWaalsContact O-N 3.11Å; D393-K396 IonicContact OD1-NZ 2.72Å; D393-K396 PolarHBondContact OD1-NZ 3.05Å; K394-K396 VanDerWaalsContact C-N 3.26Å; K394-K396 PolarHBondContact O-N 3.29Å
397I62.7Low63.1Low73 Ų7392 Ų9237%0.37446%0.458SS..Hα-helixtrans-81.2-38.8-172.7-65.9167.1000111.4D393 K394 Q400 F401D393-I397 WeakPolarHBondContact O-CG1 3.35Å; D393-I397 PolarHBondContact O-N 3.44Å; K394-I397 PolarHBondContact O-N 3.4Å; I397-Q400 WeakPolarHBondContact O-CB 3.37Å; I397-Q400 PolarHBondContact O-N 2.68Å; I397-Q400 VanDerWaalsContact O-N 3.09Å; I397-F401 HydrophobicContact CG2-CD2 3.6Å; I397-F401 HydrophobicContact CG2-CE2 3.25Å; I397-F401 HydrophobicContact CG2-CZ 4.25Å; I397-F401 PolarHBondContact O-N 2.95Å
398L70.4Confident65.6Low46 Ų4686 Ų8624%0.24143%0.425CS..Hα-helixtrans-60.6-43.5-175.4-170.561.2000114I358 I362 K394 Q400 F401 Y402I358-L398 HydrophobicContact CG2-CD1 3.92Å; I362-L398 HydrophobicContact CD1-CD1 3.55Å; K394-L398 PolarHBondContact O-N 2.8Å; L398-Q400 VanDerWaalsContact C-N 3.26Å; L398-Q400 PolarHBondContact O-N 2.89Å; L398-F401 PolarHBondContact O-N 3.17Å; L398-Y402 HydrophobicContact CD1-CD1 4.34Å; L398-Y402 HydrophobicContact CD1-CE1 3.62Å; L398-Y402 HydrophobicContact CD1-CE2 4.08Å; L398-Y402 VanDerWaalsContact CD1-CZ 3.48Å; L398-Y402 HydrophobicContact CD2-CE2 4.06Å; L398-Y402 WeakPolarHBondContact CD2-OH 3.47Å; L398-Y402 HydrophobicContact CG-CD2 4.29Å; L398-Y402 HydrophobicContact CG-CE1 4.1Å; L398-Y402 HydrophobicContact CG-CE2 3.59Å; L398-Y402 VanDerWaalsContact CG-CZ 3.5Å; L398-Y402 PolarHBondContact O-N 2.67Å; L398-Y402 VanDerWaalsContact O-N 3.12Å
399P74.9Confident68Low76 Ų7677.8 Ų77.849%0.49438%0.382SS..Hα-helixtrans-59.1-34.4173.5-25.235.7000113.8F395 Y403F395-P399 VanDerWaalsContact O-CD 3.24Å; F395-P399 WeakPolarHBondContact O-CD 3.27Å; F395-P399 WeakPolarHBondContact O-CG 3.4Å; P399-Y403 WeakPolarHBondContact O-CB 3.46Å; P399-Y403 PolarHBondContact O-N 3.4Å
400Q73.5Confident70.2Confident128 Ų12875.7 Ų75.760%0.59837%0.372SS*.Hα-helixtrans-69.2-36.9178.4-63.2-179.9-4.800111.7I397 L398 S404I397-Q400 WeakPolarHBondContact O-CB 3.37Å; I397-Q400 PolarHBondContact O-N 2.68Å; I397-Q400 VanDerWaalsContact O-N 3.09Å; L398-Q400 VanDerWaalsContact C-N 3.26Å; L398-Q400 PolarHBondContact O-N 2.89Å; Q400-S404 WeakPolarHBondContact O-CB 3.45Å; Q400-S404 PolarHBondContact O-N 3.02Å; Q400-S404 PolarHBondContact O-OG 3.43Å
401F77.9Confident71.9Confident75 Ų7575.8 Ų75.833%0.32937%0.366SS..Hα-helixtrans-65.3-47.2174.7-81.5-57.8000112.2I397 L398 Y403 S404 L405 I476I397-F401 HydrophobicContact CG2-CD2 3.6Å; I397-F401 HydrophobicContact CG2-CE2 3.25Å; I397-F401 HydrophobicContact CG2-CZ 4.25Å; I397-F401 PolarHBondContact O-N 2.95Å; L398-F401 PolarHBondContact O-N 3.17Å; F401-Y403 VanDerWaalsContact C-N 3.32Å; F401-Y403 PolarHBondContact O-N 2.86Å; F401-S404 PolarHBondContact O-N 3.2Å; F401-L405 WeakPolarHBondContact O-CB 3.47Å; F401-L405 PolarHBondContact O-N 3.31Å; F401-I476 HydrophobicContact CD1-CD1 4.16Å; F401-I476 HydrophobicContact CD1-CG2 4.02Å; F401-I476 HydrophobicContact CE1-CD1 4.26Å; F401-I476 HydrophobicContact CE1-CG2 3.29Å; F401-I476 HydrophobicContact CZ-CG2 3.86Å
402Y83.3Confident74Confident56 Ų5671.2 Ų71.222%0.2234%0.338CS..Hα-helixtrans-62.1-41.4178-62.4-23.1000112.2H355 I358 D359 L398 L405 G406H355-Y402 HydrophobicContact CB-CE1 4.13Å; H355-Y402 VanDerWaalsContact CE1-CB 3.47Å; H355-Y402 WeakPolarHBondContact CE1-CB 3.27Å; H355-Y402 AromaticContact CE1-CD1 3.41Å; H355-Y402 VanDerWaalsContact CE1-CD1 3.41Å; H355-Y402 WeakPolarHBondContact CE1-CD1 3.45Å; H355-Y402 AromaticContact CE1-CG 3.47Å; H355-Y402 VanDerWaalsContact CE1-CG 3.47Å; H355-Y402 AromaticContact CG-CD1 3.98Å; H355-Y402 AromaticContact CG-CE1 3.95Å; H355-Y402 AromaticContact ND1-CD1 3.04Å; H355-Y402 WeakPolarHBondContact ND1-CD1 3.11Å; H355-Y402 AromaticContact ND1-CE1 3.39Å; H355-Y402 WeakPolarHBondContact ND1-CE1 3.19Å; H355-Y402 AromaticContact ND1-CG 3.58Å; I358-Y402 HydrophobicContact CB-CE1 4.33Å; I358-Y402 HydrophobicContact CD1-CD1 4.18Å; I358-Y402 HydrophobicContact CD1-CE1 4.25Å; I358-Y402 HydrophobicContact CG2-CE1 4.08Å; D359-Y402 VanDerWaalsContact CG-OH 3.31Å; D359-Y402 PolarHBondContact OD1-OH 3.39Å; D359-Y402 PolarHBondContact OD2-OH 2.65Å; L398-Y402 HydrophobicContact CD1-CD1 4.34Å; L398-Y402 HydrophobicContact CD1-CE1 3.62Å; L398-Y402 HydrophobicContact CD1-CE2 4.08Å; L398-Y402 VanDerWaalsContact CD1-CZ 3.48Å; L398-Y402 HydrophobicContact CD2-CE2 4.06Å; L398-Y402 WeakPolarHBondContact CD2-OH 3.47Å; L398-Y402 HydrophobicContact CG-CD2 4.29Å; L398-Y402 HydrophobicContact CG-CE1 4.1Å; L398-Y402 HydrophobicContact CG-CE2 3.59Å; L398-Y402 VanDerWaalsContact CG-CZ 3.5Å; L398-Y402 PolarHBondContact O-N 2.67Å; L398-Y402 VanDerWaalsContact O-N 3.12Å; Y402-L405 PolarHBondContact O-N 2.9Å; Y402-G406 PolarHBondContact O-N 3.46Å
403Y80.5Confident76.1Confident158 Ų15865.1 Ų65.162%0.6231%0.31SS*.Hα-helixtrans-60.5-46.4174.1-179.6-103.1000112.2P399 F401 L405 G406 L407P399-Y403 WeakPolarHBondContact O-CB 3.46Å; P399-Y403 PolarHBondContact O-N 3.4Å; F401-Y403 VanDerWaalsContact C-N 3.32Å; F401-Y403 PolarHBondContact O-N 2.86Å; Y403-L405 VanDerWaalsContact C-N 3.35Å; Y403-L405 PolarHBondContact O-N 3.5Å; Y403-G406 PolarHBondContact O-N 2.86Å; Y403-L407 HydrophobicContact CD1-CD1 3.91Å; Y403-L407 HydrophobicContact CD1-CG 4.44Å; Y403-L407 HydrophobicContact CE1-CD1 3.32Å; Y403-L407 HydrophobicContact CE1-CG 4.05Å; Y403-L407 HydrophobicContact CE2-CG 4.48Å; Y403-L407 PolarHBondContact O-N 3.45Å
404S82.3Confident78Confident51 Ų5169.7 Ų69.736%0.35733%0.33SS..Hα-helixtrans-64.9-38.9179-56.90000112.3Q400 F401 Y408Q400-S404 WeakPolarHBondContact O-CB 3.45Å; Q400-S404 PolarHBondContact O-N 3.02Å; Q400-S404 PolarHBondContact O-OG 3.43Å; F401-S404 PolarHBondContact O-N 3.2Å; S404-Y408 WeakPolarHBondContact O-CB 3.34Å; S404-Y408 PolarHBondContact O-N 3.44Å
405L85.5Confident79.9Confident1 Ų168.4 Ų68.41%0.00533%0.325CS..Hα-helixtrans-62.3-45.9174-177.870.8000111.1M351 F354 I358 F401 Y402 Y403 Y408 F409 M469 F472 I473M351-L405 HydrophobicContact CE-CD2 4.32Å; M351-L405 HydrophobicContact CE-CG 4.4Å; F354-L405 HydrophobicContact CB-CD2 3.78Å; I358-L405 HydrophobicContact CD1-CD2 4.01Å; F401-L405 WeakPolarHBondContact O-CB 3.47Å; F401-L405 PolarHBondContact O-N 3.31Å; Y402-L405 PolarHBondContact O-N 2.9Å; Y403-L405 VanDerWaalsContact C-N 3.35Å; Y403-L405 PolarHBondContact O-N 3.5Å; L405-Y408 PolarHBondContact O-N 3.29Å; L405-F409 PolarHBondContact O-N 3.43Å; L405-M469 HydrophobicContact CD1-CE 3.91Å; L405-M469 HydrophobicContact CD2-CE 4.32Å; L405-M469 HydrophobicContact CG-CE 4.11Å; L405-F472 HydrophobicContact CB-CE1 4.21Å; L405-F472 HydrophobicContact CD1-CD1 3.66Å; L405-F472 HydrophobicContact CD1-CE1 3.92Å; L405-I473 HydrophobicContact CD1-CD1 3.98Å; L405-I473 HydrophobicContact CD1-CG1 4.09Å
406G85.8Confident81.5Confident8 Ų861.4 Ų61.48%0.08229%0.294CS..Hα-helixtrans-60.7-46.5177.100000112.3Y402 Y403 Y408 F409 H410Y402-G406 PolarHBondContact O-N 3.46Å; Y403-G406 PolarHBondContact O-N 2.86Å; G406-Y408 VanDerWaalsContact C-N 3.32Å; G406-Y408 PolarHBondContact O-N 2.91Å; G406-F409 WeakPolarHBondContact O-CB 3.44Å; G406-F409 PolarHBondContact O-N 3.32Å; G406-H410 PolarHBondContact O-CD2 3.01Å; G406-H410 PolarHBondContact O-N 3.49Å
407L85.8Confident82.7Confident81 Ų8162.4 Ų62.442%0.42431%0.306SS..Hα-helixtrans-58.5-43.9174.9-74.7179.8000112.2Y403 F409 H410 Q411Y403-L407 HydrophobicContact CD1-CD1 3.91Å; Y403-L407 HydrophobicContact CD1-CG 4.44Å; Y403-L407 HydrophobicContact CE1-CD1 3.32Å; Y403-L407 HydrophobicContact CE1-CG 4.05Å; Y403-L407 HydrophobicContact CE2-CG 4.48Å; Y403-L407 PolarHBondContact O-N 3.45Å; L407-F409 VanDerWaalsContact C-N 3.34Å; L407-H410 PolarHBondContact O-N 3.14Å; L407-Q411 WeakPolarHBondContact O-CG 3.35Å; L407-Q411 PolarHBondContact O-N 3.44Å; L407-Q411 VanDerWaalsContact O-N 3.08Å
408Y87.8Confident83.7Confident7 Ų759.7 Ų59.73%0.02729%0.292CS..Hα-helixtrans-65-39.3177.7-174.1-116.3000111.8S404 L405 G406 H410 Q411 I412 L468 F472 Y486S404-Y408 WeakPolarHBondContact O-CB 3.34Å; S404-Y408 PolarHBondContact O-N 3.44Å; L405-Y408 PolarHBondContact O-N 3.29Å; G406-Y408 VanDerWaalsContact C-N 3.32Å; G406-Y408 PolarHBondContact O-N 2.91Å; Y408-H410 VanDerWaalsContact C-N 3.33Å; Y408-H410 PolarHBondContact O-N 3.25Å; Y408-Q411 WeakPolarHBondContact O-CB 3.48Å; Y408-Q411 PolarHBondContact O-N 3.34Å; Y408-I412 HydrophobicContact CD1-CD1 3.9Å; Y408-I412 HydrophobicContact CD1-CG1 4.49Å; Y408-I412 HydrophobicContact CE1-CD1 3.69Å; Y408-I412 HydrophobicContact CE1-CG1 4.24Å; Y408-I412 WeakPolarHBondContact O-CG1 3.49Å; Y408-I412 PolarHBondContact O-N 2.99Å; Y408-L468 HydrophobicContact CE1-CB 4.19Å; Y408-F472 HydrophobicContact CD1-CB 3.73Å; Y408-F472 HydrophobicContact CD1-CD1 4.21Å; Y408-F472 AromaticContact CD1-CD2 3.71Å; Y408-F472 HydrophobicContact CD1-CD2 3.71Å; Y408-F472 HydrophobicContact CD1-CE2 4.37Å; Y408-F472 AromaticContact CD1-CG 3.61Å; Y408-F472 HydrophobicContact CD1-CG 3.61Å; Y408-F472 HydrophobicContact CD2-CD2 4.25Å; Y408-F472 HydrophobicContact CD2-CE2 4.49Å; Y408-F472 HydrophobicContact CE1-CB 3.56Å; Y408-F472 HydrophobicContact CE1-CD2 4.01Å; Y408-F472 AromaticContact CE1-CG 3.93Å; Y408-F472 HydrophobicContact CE1-CG 3.93Å; Y408-F472 AromaticContact CG-CD2 3.82Å; Y408-F472 HydrophobicContact CG-CD2 3.82Å; Y408-F472 HydrophobicContact CG-CE2 4.09Å; Y408-F472 HydrophobicContact CG-CG 4.16Å; Y408-Y486 AromaticContact CD2-CD1 3.9Å; Y408-Y486 HydrophobicContact CD2-CD1 3.9Å; Y408-Y486 HydrophobicContact CD2-CE1 4.13Å; Y408-Y486 AromaticContact CE2-CD1 3.75Å; Y408-Y486 HydrophobicContact CE2-CD1 3.75Å; Y408-Y486 HydrophobicContact CE2-CE1 4.44Å
409F89.8Confident83.6Confident0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-56.1-47.7172.7-165.2-85.5000111.9Y347 I350 M351 L405 G406 L407 Q411 I412 L413 W442 I465 M469Y347-F409 AromaticContact CD2-CD1 3.75Å; Y347-F409 HydrophobicContact CD2-CD1 3.75Å; Y347-F409 AromaticContact CD2-CE1 3.59Å; Y347-F409 HydrophobicContact CD2-CE1 3.59Å; Y347-F409 HydrophobicContact CD2-CZ 4.36Å; Y347-F409 AromaticContact CE2-CD1 3.63Å; Y347-F409 HydrophobicContact CE2-CD1 3.63Å; Y347-F409 AromaticContact CE2-CE1 3.99Å; Y347-F409 HydrophobicContact CE2-CE1 3.99Å; Y347-F409 HydrophobicContact CE2-CG 4.26Å; I350-F409 HydrophobicContact CB-CE2 4.16Å; I350-F409 HydrophobicContact CB-CZ 4.46Å; I350-F409 HydrophobicContact CD1-CE2 4.35Å; I350-F409 HydrophobicContact CD1-CZ 4.09Å; I350-F409 HydrophobicContact CG2-CD2 4.49Å; I350-F409 HydrophobicContact CG2-CE2 3.62Å; I350-F409 HydrophobicContact CG2-CZ 4.35Å; M351-F409 HydrophobicContact SD-CB 4.28Å; M351-F409 HydrophobicContact SD-CD2 4.27Å; M351-F409 HydrophobicContact SD-CG 4.32Å; L405-F409 PolarHBondContact O-N 3.43Å; G406-F409 WeakPolarHBondContact O-CB 3.44Å; G406-F409 PolarHBondContact O-N 3.32Å; L407-F409 VanDerWaalsContact C-N 3.34Å; F409-Q411 VanDerWaalsContact C-N 3.33Å; F409-Q411 PolarHBondContact O-N 3.35Å; F409-I412 WeakPolarHBondContact O-CB 3.34Å; F409-I412 PolarHBondContact O-N 3.29Å; F409-I412 VanDerWaalsContact O-N 3.11Å; F409-L413 HydrophobicContact CD1-CD1 3.73Å; F409-L413 HydrophobicContact CD1-CD2 4.29Å; F409-L413 HydrophobicContact CD1-CG 3.76Å; F409-L413 HydrophobicContact CE1-CD1 3.62Å; F409-L413 HydrophobicContact CE1-CD2 3.66Å; F409-L413 HydrophobicContact CE1-CG 3.62Å; F409-L413 HydrophobicContact CZ-CD2 4.29Å; F409-L413 WeakPolarHBondContact O-CG 2.96Å; F409-L413 PolarHBondContact O-N 3.08Å; F409-W442 AromaticContact CE1-CH2 3.8Å; F409-W442 HydrophobicContact CE1-CH2 3.8Å; F409-W442 HydrophobicContact CE1-CZ2 4.34Å; F409-W442 HydrophobicContact CZ-CH2 4.08Å; F409-W442 HydrophobicContact CZ-CZ3 4.47Å; F409-I465 HydrophobicContact CD2-CG2 4.35Å; F409-I465 HydrophobicContact CE2-CG2 3.5Å; F409-I465 VanDerWaalsContact CE2-CG2 3.5Å; F409-I465 HydrophobicContact CZ-CG2 4Å; F409-M469 HydrophobicContact CD2-CE 3.56Å; F409-M469 HydrophobicContact CD2-CG 4.17Å; F409-M469 HydrophobicContact CD2-SD 3.28Å; F409-M469 WeakPolarHBondContact CD2-SD 3.46Å; F409-M469 HydrophobicContact CE2-CE 4.12Å; F409-M469 HydrophobicContact CE2-SD 3.42Å; F409-M469 WeakPolarHBondContact CE2-SD 3.37Å
410H87Confident82.7Confident83 Ų8361.3 Ų61.338%0.38430%0.3SS..Hα-helixtrans-61.4-39.9178.1-74.1-67.5000112.4G406 L407 Y408 I412 L413 E414G406-H410 PolarHBondContact O-CD2 3.01Å; G406-H410 PolarHBondContact O-N 3.49Å; L407-H410 PolarHBondContact O-N 3.14Å; Y408-H410 VanDerWaalsContact C-N 3.33Å; Y408-H410 PolarHBondContact O-N 3.25Å; H410-I412 VanDerWaalsContact C-N 3.3Å; H410-I412 PolarHBondContact O-N 2.99Å; H410-L413 WeakPolarHBondContact O-CB 3.43Å; H410-L413 PolarHBondContact O-N 3.01Å; H410-E414 WeakPolarHBondContact O-CG 3.42Å; H410-E414 PolarHBondContact O-N 3.08Å
411Q88.2Confident81.1Confident87 Ų8759.7 Ų59.741%0.40730%0.3SS..Hα-helixtrans-62.1-36.6174.1-68.7174.5-16.500112.6L407 Y408 F409 K415 L489L407-Q411 WeakPolarHBondContact O-CG 3.35Å; L407-Q411 PolarHBondContact O-N 3.44Å; L407-Q411 VanDerWaalsContact O-N 3.08Å; Y408-Q411 WeakPolarHBondContact O-CB 3.48Å; Y408-Q411 PolarHBondContact O-N 3.34Å; F409-Q411 VanDerWaalsContact C-N 3.33Å; F409-Q411 PolarHBondContact O-N 3.35Å; Q411-K415 WeakPolarHBondContact O-CB 3.33Å; Q411-K415 PolarHBondContact O-N 2.78Å; Q411-K415 VanDerWaalsContact O-N 3.08Å; Q411-L489 HydrophobicContact CB-CD1 4.06Å
412I88.9Confident79Confident0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-63.7-47.3173.7-62.7166.2000110Y408 F409 H410 E414 K415 L416 I465 L468 M469 L489Y408-I412 HydrophobicContact CD1-CD1 3.9Å; Y408-I412 HydrophobicContact CD1-CG1 4.49Å; Y408-I412 HydrophobicContact CE1-CD1 3.69Å; Y408-I412 HydrophobicContact CE1-CG1 4.24Å; Y408-I412 WeakPolarHBondContact O-CG1 3.49Å; Y408-I412 PolarHBondContact O-N 2.99Å; F409-I412 WeakPolarHBondContact O-CB 3.34Å; F409-I412 PolarHBondContact O-N 3.29Å; F409-I412 VanDerWaalsContact O-N 3.11Å; H410-I412 VanDerWaalsContact C-N 3.3Å; H410-I412 PolarHBondContact O-N 2.99Å; I412-E414 PolarHBondContact O-N 2.97Å; I412-K415 PolarHBondContact O-N 2.95Å; I412-L416 HydrophobicContact CG2-CD1 3.69Å; I412-L416 HydrophobicContact CG2-CG 4.27Å; I412-L416 WeakPolarHBondContact O-CB 3.37Å; I412-L416 WeakPolarHBondContact O-CG 3.28Å; I412-L416 PolarHBondContact O-N 3.22Å; I412-I465 HydrophobicContact CG2-CG1 3.86Å; I412-L468 HydrophobicContact CB-CD1 4.35Å; I412-L468 HydrophobicContact CD1-CB 3.67Å; I412-L468 HydrophobicContact CD1-CD1 3.89Å; I412-L468 HydrophobicContact CD1-CG 4.49Å; I412-L468 HydrophobicContact CG1-CB 4.32Å; I412-L468 HydrophobicContact CG1-CD1 3.69Å; I412-L468 HydrophobicContact CG2-CD1 3.77Å; I412-M469 HydrophobicContact CD1-CG 4.03Å; I412-L489 HydrophobicContact CG1-CD2 4.31Å
413L88.1Confident76.4Confident7 Ų766.2 Ų66.24%0.03734%0.338CS..Hα-helixtrans-59.8-45.1179-65.8-179.1000112F409 H410 K415 L416 D417 L418 W442 I465F409-L413 HydrophobicContact CD1-CD1 3.73Å; F409-L413 HydrophobicContact CD1-CD2 4.29Å; F409-L413 HydrophobicContact CD1-CG 3.76Å; F409-L413 HydrophobicContact CE1-CD1 3.62Å; F409-L413 HydrophobicContact CE1-CD2 3.66Å; F409-L413 HydrophobicContact CE1-CG 3.62Å; F409-L413 HydrophobicContact CZ-CD2 4.29Å; F409-L413 WeakPolarHBondContact O-CG 2.96Å; F409-L413 PolarHBondContact O-N 3.08Å; H410-L413 WeakPolarHBondContact O-CB 3.43Å; H410-L413 PolarHBondContact O-N 3.01Å; L413-K415 VanDerWaalsContact C-N 3.31Å; L413-K415 PolarHBondContact O-N 3.41Å; L413-L416 PolarHBondContact O-N 3.23Å; L413-D417 PolarHBondContact O-N 3.02Å; L413-D417 VanDerWaalsContact O-N 3.14Å; L413-L418 HydrophobicContact CB-CB 4.38Å; L413-L418 HydrophobicContact CD2-CB 3.85Å; L413-L418 HydrophobicContact CD2-CD1 4.27Å; L413-L418 PolarHBondContact O-N 3.43Å; L413-W442 HydrophobicContact CD1-CH2 4.38Å; L413-W442 HydrophobicContact CD1-CZ2 3.67Å; L413-W442 HydrophobicContact CD2-CH2 4.2Å; L413-W442 HydrophobicContact CD2-CZ2 3.71Å; L413-W442 HydrophobicContact CG-CZ2 4.34Å; L413-I465 HydrophobicContact CD2-CD1 4.49Å
414E86.5Confident73.8Confident136 Ų13662.5 Ų62.564%0.63634%0.335SS*.Hα-helixtrans-58.5-44.4176.4-75178.1177.700111H410 I412 L416 D417 C419H410-E414 WeakPolarHBondContact O-CG 3.42Å; H410-E414 PolarHBondContact O-N 3.08Å; I412-E414 PolarHBondContact O-N 2.97Å; E414-L416 VanDerWaalsContact C-N 3.32Å; E414-L416 PolarHBondContact O-N 3.11Å; E414-D417 PolarHBondContact O-N 3.04Å; E414-C419 WeakPolarHBondContact CA-SG 3.28Å; E414-C419 WeakPolarHBondContact CG-SG 3.31Å; E414-C419 PolarHBondContact N-SG 3.04Å
415K87.1Confident71Confident80 Ų8065.5 Ų65.535%0.34835%0.352SS..Hα-helixtrans-66.7-34.7-180-167.873.5-178.3-1620112.8Q411 I412 L413 D417 L489 D490 L492Q411-K415 WeakPolarHBondContact O-CB 3.33Å; Q411-K415 PolarHBondContact O-N 2.78Å; Q411-K415 VanDerWaalsContact O-N 3.08Å; I412-K415 PolarHBondContact O-N 2.95Å; L413-K415 VanDerWaalsContact C-N 3.31Å; L413-K415 PolarHBondContact O-N 3.41Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-L489 HydrophobicContact CB-CD1 4.47Å; K415-L489 HydrophobicContact CD-CB 4.18Å; K415-L489 WeakPolarHBondContact CE-O 3.45Å; K415-L489 HydrophobicContact CG-CB 4.12Å; K415-D490 IonicContact NZ-OD1 3.93Å; K415-D490 PolarHBondContact NZ-OD1 3.01Å; K415-L492 HydrophobicContact CG-CD2 4.4Å
416L86.1Confident68.3Low8 Ų872.3 Ų72.34%0.04239%0.388CS..THydrogen-bonded Turntrans-84.80.7-179.6-71179.2000113.6I412 L413 E414 L418 L464 I465 L492I412-L416 HydrophobicContact CG2-CD1 3.69Å; I412-L416 HydrophobicContact CG2-CG 4.27Å; I412-L416 WeakPolarHBondContact O-CB 3.37Å; I412-L416 WeakPolarHBondContact O-CG 3.28Å; I412-L416 PolarHBondContact O-N 3.22Å; L413-L416 PolarHBondContact O-N 3.23Å; E414-L416 VanDerWaalsContact C-N 3.32Å; E414-L416 PolarHBondContact O-N 3.11Å; L416-L418 HydrophobicContact CB-CB 4.41Å; L416-L418 HydrophobicContact CB-CD1 3.74Å; L416-L418 HydrophobicContact CB-CG 3.7Å; L416-L418 HydrophobicContact CD1-CD1 3.89Å; L416-L418 HydrophobicContact CG-CD1 4.48Å; L416-L418 PolarHBondContact O-N 3.28Å; L416-L464 HydrophobicContact CD2-CD1 4.05Å; L416-I465 HydrophobicContact CD1-CD1 4.25Å; L416-I465 HydrophobicContact CD1-CG1 3.83Å; L416-L492 HydrophobicContact CD2-CD2 3.42Å; L416-L492 VanDerWaalsContact CD2-CD2 3.42Å; L416-L492 HydrophobicContact CG-CD2 4.16Å
417D85.4Confident65.6Low149 Ų14976.2 Ų76.280%0.79741%0.407SS*.THydrogen-bonded Turntrans56.337.9-173-157.729.9000112L413 E414 K415L413-D417 PolarHBondContact O-N 3.02Å; L413-D417 VanDerWaalsContact O-N 3.14Å; E414-D417 PolarHBondContact O-N 3.04Å; K415-D417 VanDerWaalsContact C-N 3.28Å
418L82.8Confident63.1Low16 Ų1677.5 Ų77.58%0.08442%0.415CS..  trans-107.54.5177.9-60.9179000112.4L413 L416 W442 S444 V445 H461 I465L413-L418 HydrophobicContact CB-CB 4.38Å; L413-L418 HydrophobicContact CD2-CB 3.85Å; L413-L418 HydrophobicContact CD2-CD1 4.27Å; L413-L418 PolarHBondContact O-N 3.43Å; L416-L418 HydrophobicContact CB-CB 4.41Å; L416-L418 HydrophobicContact CB-CD1 3.74Å; L416-L418 HydrophobicContact CB-CG 3.7Å; L416-L418 HydrophobicContact CD1-CD1 3.89Å; L416-L418 HydrophobicContact CG-CD1 4.48Å; L416-L418 PolarHBondContact O-N 3.28Å; L418-W442 VanDerWaalsContact O-CD1 3.31Å; L418-W442 PolarHBondContact O-NE1 3.48Å; L418-S444 WeakPolarHBondContact CD2-OG 3.42Å; L418-V445 HydrophobicContact CD1-CG2 3.83Å; L418-H461 HydrophobicContact CD1-CB 4.21Å; L418-I465 HydrophobicContact CD1-CD1 4.11Å
419C68Low60.5Low53 Ų5384.7 Ų84.736%0.35845%0.453SS..SBendtrans-63140.3171.4-77.60000109.8E414E414-C419 WeakPolarHBondContact CA-SG 3.28Å; E414-C419 WeakPolarHBondContact CG-SG 3.31Å; E414-C419 PolarHBondContact N-SG 3.04Å
420L56.6Low57.6Low104 Ų10488.2 Ų88.255%0.54549%0.49SS..  trans-60.7137172.5-67.2159.5000107.8D422 V440L420-D422 PolarHBondContact O-N 3.2Å; L420-V440 HydrophobicContact CD1-CB 4.21Å; L420-V440 HydrophobicContact CD1-CG1 4.17Å; L420-V440 HydrophobicContact CD1-CG2 3.66Å; L420-V440 HydrophobicContact CD2-CB 4.45Å; L420-V440 HydrophobicContact CD2-CG1 3.53Å; L420-V440 HydrophobicContact CD2-CG2 4.32Å; L420-V440 HydrophobicContact CG-CG1 4.26Å
421P39.3Very low55Low94 Ų9488.1 Ų88.161%0.6149%0.492SS*.  trans-56.8113.6176.6-19.929.6000109.3H423P421-H423 VanDerWaalsContact C-N 3.32Å; P421-H423 PolarHBondContact O-N 3.41Å
422D35.2Very low52.1Low141 Ų14186 Ų8675%0.75449%0.494SS*.  trans-66.7100.1156.2-88.7-27.4000106.6L420 S424L420-D422 PolarHBondContact O-N 3.2Å; D422-S424 PolarHBondContact O-N 2.89Å; D422-S424 PolarHBondContact O-OG 2.99Å
423H28Very low49.2Very low126 Ų12691.8 Ų91.858%0.58353%0.525SS*.SBendtrans37.358.2158.6-63.4-74.6000115.4P421 N433P421-H423 VanDerWaalsContact C-N 3.32Å; P421-H423 PolarHBondContact O-N 3.41Å; H423-N433 PolarHBondContact CE1-OD1 3.27Å; H423-N433 PolarHBondContact ND1-OD1 3.29Å
424S25.8Very low46.8Very low80 Ų8094.6 Ų94.656%0.55954%0.54SS*.  trans-177.5103.6166.441.30000113.8D422 D431D422-S424 PolarHBondContact O-N 2.89Å; D422-S424 PolarHBondContact O-OG 2.99Å; S424-D431 PolarHBondContact N-OD2 3.01Å
425T24Very low44.4Very low115 Ų11595.7 Ų95.771%0.70655%0.55SS**  trans61.386.3131.761.50000116.9D431T425-D431 PolarHBondContact N-OD2 3.12Å
426D28.3Very low42.4Very low143 Ų14394.7 Ų94.777%0.76555%0.549SS*.  -154.898.7128.1-104.3-29.9000112.9N428D426-N428 PolarHBondContact O-N 2.97Å
427N28.8Very low40.3Very low90 Ų9097.9 Ų97.948%0.48158%0.583SS.*SBendtrans39.778.4135.7-57.4-54.2000118.7
428N32.8Very low38.7Very low109 Ų10994.9 Ų94.958%0.58357%0.567SS**SBend169.5-6.8114.4-88.9-24.3000114.8N266 D426N266-N428 PolarHBondContact ND2-ND2 3.5Å; N266-N428 PolarHBondContact ND2-OD1 3.29Å; D426-N428 PolarHBondContact O-N 2.97Å
429D34.2Very low38.1Very low158 Ų15895.7 Ų95.785%0.84557%0.572SS**SBendtrans-128.1120.9165.9-70.8-46.2000107.7D431D429-D431 PolarHBondContact O-N 3.09Å
430G29.2Very low38.4Very low74 Ų7494.1 Ų94.176%0.76356%0.561SS**  trans-50.6107-16600000114.5
431D30.9Very low39.5Very low80 Ų8090 Ų9043%0.42854%0.54SS..  trans-72.2146.3161.8177.225.2000110.5S424 T425 D429S424-D431 PolarHBondContact N-OD2 3.01Å; T425-D431 PolarHBondContact N-OD2 3.12Å; D429-D431 PolarHBondContact O-N 3.09Å
432G27.3Very low41.7Very low44 Ų4486.5 Ų86.545%0.45451%0.514SS..SBendtrans117.492.1163.700000115.5
433N28.2Very low43.9Very low120 Ų12084.6 Ų84.664%0.64251%0.512SS*.  trans87.981.8163.4-46-31.6000116.5H423H423-N433 PolarHBondContact CE1-OD1 3.27Å; H423-N433 PolarHBondContact ND1-OD1 3.29Å
434D38.3Very low46.5Very low66 Ų6680 Ų8035%0.35349%0.494SS..  -149.2142.6126.7-65.3-65.7000110.1R180 Y204 D436R180-D434 IonicContact CZ-OD2 3.87Å; R180-D434 IonicContact NE-OD2 3.76Å; R180-D434 PolarHBondContact NE-OD2 3.47Å; R180-D434 VanDerWaalsContact NH2-CB 3.27Å; R180-D434 IonicContact NH2-OD2 4Å; R180-D434 PolarHBondContact NH2-OD2 3.4Å; Y204-D434 PolarHBondContact OH-OD1 2.94Å; D434-D436 PolarHBondContact O-N 2.87Å
435D37.2Very low49.5Very low160 Ų16076.1 Ų76.186%0.85647%0.467SS*.  trans-66.556.1-179.1-1465000112.8G437D435-G437 PolarHBondContact O-N 3.05Å; D435-G437 VanDerWaalsContact O-N 3.1Å
436D44.8Very low52.7Low59 Ų5974 Ų7432%0.31645%0.447SS..  trans-82.271.4163-79.2-21.7000108.5K202 D434 D438K202-D436 IonicContact NZ-OD1 2.92Å; K202-D436 PolarHBondContact NZ-OD1 3.44Å; D434-D436 PolarHBondContact O-N 2.87Å; D436-D438 PolarHBondContact O-N 3.24Å
437G40.9Very low55.7Low75 Ų7567.2 Ų67.277%0.77341%0.41SS*.  trans-6625.4160.500000113.4D435D435-G437 PolarHBondContact O-N 3.05Å; D435-G437 VanDerWaalsContact O-N 3.1Å
438D52.8Low58.6Low86 Ų8663.7 Ų63.746%0.4639%0.393SS..SBendtrans-117.2119.3-173.5-68.3-38.4000108.4K202 D436K202-D438 IonicContact NZ-OD2 3Å; K202-D438 PolarHBondContact NZ-OD2 3.19Å; D436-D438 PolarHBondContact O-N 3.24Å
439D69.3Low61Low33 Ų3359.2 Ų59.218%0.17637%0.368CS..  trans5.2122.1171.4-165.323.8000118.9N165 I169 S346 Y347 R348N165-D439 PolarHBondContact ND2-OD2 3.34Å; I169-D439 HydrophobicContact CD1-CB 4.24Å; I169-D439 VanDerWaalsContact CD1-O 3.22Å; I169-D439 WeakPolarHBondContact CD1-O 3.12Å; I169-D439 WeakPolarHBondContact CG1-O 3.5Å; S346-D439 VanDerWaalsContact CB-CG 3.49Å; S346-D439 VanDerWaalsContact CB-OD1 3.23Å; S346-D439 WeakPolarHBondContact CB-OD1 3.45Å; S346-D439 WeakPolarHBondContact CB-OD2 3.48Å; S346-D439 VanDerWaalsContact OG-CG 3.26Å; S346-D439 PolarHBondContact OG-OD1 3.4Å; S346-D439 PolarHBondContact OG-OD2 3.35Å; Y347-D439 WeakPolarHBondContact CB-OD1 3.29Å; Y347-D439 PolarHBondContact N-OD1 2.97Å; Y347-D439 VanDerWaalsContact N-OD1 3.14Å; R348-D439 HydrophobicContact CB-CB 4.14Å; R348-D439 WeakPolarHBondContact CB-OD1 3.24Å; R348-D439 WeakPolarHBondContact CB-OD2 3.41Å; R348-D439 PolarHBondContact N-OD1 2.65Å
440V75.5Confident62.4Low20 Ų2054 Ų5412%0.12134%0.341CS..  trans-113.6140.4-172176.90000111.8S346 Y347 L420S346-V440 VanDerWaalsContact CA-O 3.32Å; S346-V440 WeakPolarHBondContact CA-O 3.04Å; Y347-V440 PolarHBondContact N-O 2.98Å; L420-V440 HydrophobicContact CD1-CB 4.21Å; L420-V440 HydrophobicContact CD1-CG1 4.17Å; L420-V440 HydrophobicContact CD1-CG2 3.66Å; L420-V440 HydrophobicContact CD2-CB 4.45Å; L420-V440 HydrophobicContact CD2-CG1 3.53Å; L420-V440 HydrophobicContact CD2-CG2 4.32Å; L420-V440 HydrophobicContact CG-CG1 4.26Å
441T78.4Confident63.5Low17 Ų1753.5 Ų53.510%0.10433%0.325CS..EExtended strand (participates in β ladder)trans-101.1144.8161.955.90000112.1D166 I169 R173D166-T441 HydrophobicContact CB-CG2 4.38Å; I169-T441 HydrophobicContact CD1-CG2 3.78Å; I169-T441 HydrophobicContact CG2-CG2 4.42Å; R173-T441 PolarHBondContact NH1-OG1 2.88Å; R173-T441 PolarHBondContact NH2-O 2.84Å
442W85.6Confident64.4Low21 Ų2156.2 Ų56.28%0.0834%0.34CS..EExtended strand (participates in β ladder)trans-106.2136.5174.3-54.1-93.5000110.8Y344 Y347 I350 F409 L413 L418 S444 V445Y344-W442 WeakPolarHBondContact CD1-O 3.47Å; Y347-W442 HydrophobicContact CD2-CH2 4.22Å; Y347-W442 HydrophobicContact CG-CH2 4.47Å; I350-W442 HydrophobicContact CD1-CZ3 4.45Å; F409-W442 AromaticContact CE1-CH2 3.8Å; F409-W442 HydrophobicContact CE1-CH2 3.8Å; F409-W442 HydrophobicContact CE1-CZ2 4.34Å; F409-W442 HydrophobicContact CZ-CH2 4.08Å; F409-W442 HydrophobicContact CZ-CZ3 4.47Å; L413-W442 HydrophobicContact CD1-CH2 4.38Å; L413-W442 HydrophobicContact CD1-CZ2 3.67Å; L413-W442 HydrophobicContact CD2-CH2 4.2Å; L413-W442 HydrophobicContact CD2-CZ2 3.71Å; L413-W442 HydrophobicContact CG-CZ2 4.34Å; L418-W442 VanDerWaalsContact O-CD1 3.31Å; L418-W442 PolarHBondContact O-NE1 3.48Å; W442-S444 PolarHBondContact O-N 3.43Å; W442-S444 VanDerWaalsContact O-N 3.13Å; W442-V445 HydrophobicContact CB-CB 3.97Å; W442-V445 HydrophobicContact CB-CG2 3.77Å; W442-V445 HydrophobicContact CD2-CG2 4.28Å; W442-V445 HydrophobicContact CE3-CB 4.07Å; W442-V445 HydrophobicContact CE3-CG1 4.28Å; W442-V445 HydrophobicContact CE3-CG2 4.1Å; W442-V445 HydrophobicContact CG-CG2 4.18Å; W442-V445 PolarHBondContact O-N 3.11Å; W442-V445 VanDerWaalsContact O-N 3.11Å
443S81.1Confident65.2Low101 Ų10159.9 Ų59.971%0.70635%0.349SS*.EExtended strand (participates in β ladder)trans-61.9-21.6179.1560000113.6Y446S443-Y446 WeakPolarHBondContact O-CD1 3.39Å; S443-Y446 WeakPolarHBondContact O-CE1 3.4Å
444S82.5Confident66.2Low28 Ų2860.7 Ų60.720%0.19635%0.354CS..EExtended strand (participates in β ladder)trans-97.7-4.3179.559.70000114.5L418 W442 S459L418-S444 WeakPolarHBondContact CD2-OG 3.42Å; W442-S444 PolarHBondContact O-N 3.43Å; W442-S444 VanDerWaalsContact O-N 3.13Å; S444-S459 VanDerWaalsContact O-CB 3.31Å; S444-S459 WeakPolarHBondContact O-CB 3.48Å; S444-S459 PolarHBondContact O-OG 2.8Å
445V88.7Confident67Low0 Ų060.3 Ų60.30%035%0.352CS..EExtended strand (participates in β ladder)trans-112.989.4-179.3-178.40000109.3L345 I350 L418 W442 H461 L462 I465L345-V445 PolarHBondContact N-O 2.8Å; I350-V445 HydrophobicContact CD1-CG1 4.23Å; L418-V445 HydrophobicContact CD1-CG2 3.83Å; W442-V445 HydrophobicContact CB-CB 3.97Å; W442-V445 HydrophobicContact CB-CG2 3.77Å; W442-V445 HydrophobicContact CD2-CG2 4.28Å; W442-V445 HydrophobicContact CE3-CB 4.07Å; W442-V445 HydrophobicContact CE3-CG1 4.28Å; W442-V445 HydrophobicContact CE3-CG2 4.1Å; W442-V445 HydrophobicContact CG-CG2 4.18Å; W442-V445 PolarHBondContact O-N 3.11Å; W442-V445 VanDerWaalsContact O-N 3.11Å; V445-H461 HydrophobicContact CG2-CB 4.12Å; V445-L462 HydrophobicContact CG1-CB 3.96Å; V445-L462 HydrophobicContact CG1-CD1 3.79Å; V445-L462 HydrophobicContact CG1-CG 4.37Å; V445-I465 HydrophobicContact CG1-CD1 4.28Å; V445-I465 HydrophobicContact CG2-CD1 3.82Å
446Y91.3Very high68.8Low71 Ų7153.9 Ų53.928%0.27832%0.319SS..EExtended strand (participates in β ladder)trans-148.7165.3-174.160.1-92.9000113.2V342 I343 Y344 S443 S448 S459 L462V342-Y446 HydrophobicContact CB-CD2 4.17Å; V342-Y446 HydrophobicContact CB-CG 4.37Å; V342-Y446 HydrophobicContact CG1-CD2 3.82Å; V342-Y446 HydrophobicContact CG1-CE2 4.24Å; V342-Y446 HydrophobicContact CG1-CG 4.37Å; I343-Y446 CarbonylContact O-C 3.58Å; I343-Y446 WeakPolarHBondContact O-CA 3.25Å; I343-Y446 WeakPolarHBondContact O-CB 3.41Å; Y344-Y446 HydrophobicContact CE1-CD1 4.48Å; S443-Y446 WeakPolarHBondContact O-CD1 3.39Å; S443-Y446 WeakPolarHBondContact O-CE1 3.4Å; Y446-S448 WeakPolarHBondContact CE2-OG 3.42Å; Y446-S459 PolarHBondContact N-OG 3.14Å; Y446-S459 WeakPolarHBondContact O-CB 3.39Å; Y446-S459 PolarHBondContact O-N 3.42Å; Y446-S459 PolarHBondContact O-OG 2.79Å; Y446-L462 WeakPolarHBondContact O-CD2 3.24Å
447L91.7Very high70.4Confident0 Ų051.2 Ų51.20%031%0.305CS..EExtended strand (participates in β ladder)trans-100.2136.2164-63.7167.2000109.3V342 I343 L345 P458 L462 L508 I511 Y512 L515 L575V342-L447 CarbonylContact C-O 3.39Å; V342-L447 WeakPolarHBondContact CA-O 3.2Å; I343-L447 HydrophobicContact CB-CB 4.46Å; I343-L447 PolarHBondContact N-O 2.89Å; I343-L447 PolarHBondContact O-N 3.33Å; L345-L447 HydrophobicContact CD1-CD1 4.48Å; L345-L447 HydrophobicContact CD2-CD1 4.39Å; L447-P458 HydrophobicContact CD2-CB 4.09Å; L447-L462 HydrophobicContact CD2-CD2 3.82Å; L447-L462 HydrophobicContact CG-CD2 4.02Å; L447-L508 HydrophobicContact CD2-CD2 4.24Å; L447-I511 HydrophobicContact CD1-CG2 3.99Å; L447-Y512 HydrophobicContact CD1-CD1 4.28Å; L447-Y512 HydrophobicContact CD1-CE1 3.9Å; L447-Y512 HydrophobicContact CD2-CE1 3.97Å; L447-L515 HydrophobicContact CD1-CD1 3.59Å; L447-L575 HydrophobicContact CB-CD1 4.02Å
448S89.4Confident72.6Confident16 Ų1647.8 Ų47.811%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-145.6156.4-179.665.50000112.3Y446 G457 L575Y446-S448 WeakPolarHBondContact CE2-OG 3.42Å; S448-G457 PolarHBondContact N-O 3.04Å; S448-G457 PolarHBondContact O-N 3.35Å; S448-L575 WeakPolarHBondContact O-CD2 3.45Å
449L83.8Confident74.3Confident14 Ų1444.1 Ų44.17%0.07325%0.25CS..  trans-93.6124.1160.3-68.8173.5000107.8F334 T339 F571 L575 I578F334-L449 HydrophobicContact CE2-CD1 3.9Å; F334-L449 HydrophobicContact CZ-CD1 3.55Å; T339-L449 HydrophobicContact CG2-CB 4.37Å; T339-L449 HydrophobicContact CG2-CD1 4.46Å; L449-F571 HydrophobicContact CB-CE2 4.15Å; L449-F571 HydrophobicContact CD1-CD2 3.7Å; L449-F571 HydrophobicContact CD1-CE2 3.93Å; L449-F571 HydrophobicContact CG-CD2 3.92Å; L449-F571 HydrophobicContact CG-CE2 3.62Å; L449-L575 HydrophobicContact CD2-CD2 3.77Å; L449-L575 HydrophobicContact CD2-CG 4.25Å; L449-L575 HydrophobicContact CG-CD2 4.15Å; L449-L575 HydrophobicContact CG-CG 4.47Å; L449-I578 HydrophobicContact CD2-CD1 3.28Å
450N64.7Low75.1Confident49 Ų4945.9 Ų45.926%0.26226%0.255SS..  trans-109.8108.2174.7-163.6-25.3000109.2N452 N453 N455 S456N450-N452 VanDerWaalsContact C-N 3.3Å; N450-N452 PolarHBondContact OD1-N 3.38Å; N450-N453 PolarHBondContact OD1-N 3.22Å; N450-N455 VanDerWaalsContact CB-O 3.26Å; N450-N455 WeakPolarHBondContact CB-O 3.19Å; N450-S456 PolarHBondContact N-OG 3.14Å; N450-S456 VanDerWaalsContact N-OG 3.16Å; N450-S456 PolarHBondContact O-OG 3.36Å
451S51.8Low75.8Confident63 Ų6347.6 Ų47.644%0.44126%0.262SS..SBendtrans-76.1-18.2174.458.30000113.1K337K337-S451 WeakPolarHBondContact O-CB 3.43Å; K337-S451 PolarHBondContact O-OG 3.1Å
452N49.7Very low76.4Confident138 Ų13846.8 Ų46.874%0.73826%0.257SS*.SBendtrans-105.5-21-168.9-70.9-27.9000114.9N450N450-N452 VanDerWaalsContact C-N 3.3Å; N450-N452 PolarHBondContact OD1-N 3.38Å
453N44.7Very low76.6Confident121 Ų12145.8 Ų45.865%0.64725%0.253SS*.SBendtrans-126.219.9-176.7-71.1-17.2000115.8N450 N455N450-N453 PolarHBondContact OD1-N 3.22Å; N453-N455 PolarHBondContact O-N 2.87Å
454N47.8Very low77Confident137 Ų13741 Ų4173%0.73322%0.22SC*.SBendtrans58.2-11.4-176.7-70.8-16.6000116.7S456 Y582N454-S456 PolarHBondContact O-N 3Å; N454-Y582 PolarHBondContact O-OH 3.3Å
455N55.6Low77.4Confident58 Ų5839.7 Ų39.731%0.3121%0.21SC..  trans-9272.8-179.7-76.25.1000110.9N450 N453 E497N450-N455 VanDerWaalsContact CB-O 3.26Å; N450-N455 WeakPolarHBondContact CB-O 3.19Å; N453-N455 PolarHBondContact O-N 2.87Å; N455-E497 PolarHBondContact ND2-OE2 3.4Å
456S74.1Confident77.6Confident24 Ų2439.7 Ų39.717%0.16821%0.21CC..  trans-79.2138.8163.7-70.40000110.1N450 N454N450-S456 PolarHBondContact N-OG 3.14Å; N450-S456 VanDerWaalsContact N-OG 3.16Å; N450-S456 PolarHBondContact O-OG 3.36Å; N454-S456 PolarHBondContact O-N 3Å
457G79.2Confident77.6Confident3 Ų336.6 Ų36.63%0.03120%0.199CC..EExtended strand (participates in β ladder)trans122-146.2-176.500000112.5S448S448-G457 PolarHBondContact N-O 3.04Å; S448-G457 PolarHBondContact O-N 3.35Å
458P87.1Confident77.6Confident3 Ų336.7 Ų36.72%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-66.4140.6179.430-38.7000111.8L447 L462 Y501 I504 L508L447-P458 HydrophobicContact CD2-CB 4.09Å; P458-L462 HydrophobicContact CB-CB 3.96Å; P458-L462 HydrophobicContact CB-CD2 3.67Å; P458-L462 HydrophobicContact CB-CG 3.78Å; P458-Y501 HydrophobicContact CG-CD1 4.26Å; P458-Y501 HydrophobicContact CG-CE1 3.55Å; P458-Y501 PolarHBondContact O-OH 2.8Å; P458-I504 HydrophobicContact CG-CD1 4.15Å; P458-L508 HydrophobicContact CB-CD2 4.26Å; P458-L508 HydrophobicContact CG-CD1 3.98Å; P458-L508 HydrophobicContact CG-CD2 3.87Å
459S89.2Confident77.7Confident9 Ų935.9 Ų35.96%0.06319%0.194CC..  trans-48.9153.7158.357.20000111.2S444 Y446 H461 L462 G463S444-S459 VanDerWaalsContact O-CB 3.31Å; S444-S459 WeakPolarHBondContact O-CB 3.48Å; S444-S459 PolarHBondContact O-OG 2.8Å; Y446-S459 PolarHBondContact N-OG 3.14Å; Y446-S459 WeakPolarHBondContact O-CB 3.39Å; Y446-S459 PolarHBondContact O-N 3.42Å; Y446-S459 PolarHBondContact O-OG 2.79Å; S459-H461 VanDerWaalsContact C-N 3.29Å; S459-H461 PolarHBondContact O-N 2.98Å; S459-L462 PolarHBondContact O-N 3.03Å; S459-L462 VanDerWaalsContact O-N 3.13Å; S459-L462 VanDerWaalsContact OG-CB 3.24Å; S459-L462 WeakPolarHBondContact OG-CB 3.41Å; S459-L462 PolarHBondContact OG-N 2.85Å; S459-G463 PolarHBondContact O-N 3.42Å
460Y86.3Confident78Confident71 Ų7139 Ų3928%0.27821%0.205SC..Hα-helixtrans-55.3-43.2-179.6-178.8-105000112.6G463 L464 Y493 E497 I500Y460-G463 PolarHBondContact O-N 2.92Å; Y460-L464 HydrophobicContact CD1-CD1 3.84Å; Y460-L464 HydrophobicContact CD1-CG 4.5Å; Y460-L464 HydrophobicContact CE1-CD1 3.25Å; Y460-L464 HydrophobicContact CE1-CG 4.1Å; Y460-L464 HydrophobicContact CE2-CD1 4.35Å; Y460-L464 HydrophobicContact CE2-CG 4.39Å; Y460-L464 PolarHBondContact O-N 3.49Å; Y460-Y493 HydrophobicContact CE1-CD1 4.39Å; Y460-Y493 HydrophobicContact CE1-CE1 4.47Å; Y460-E497 HydrophobicContact CD2-CG 4.35Å; Y460-E497 HydrophobicContact CE2-CG 4.26Å; Y460-I500 HydrophobicContact CE2-CD1 4.28Å
461H88.7Confident79Confident55 Ų5537.8 Ų37.826%0.25520%0.199SC..Hα-helixtrans-62.4-46176.9-65.391.3000112.1L418 V445 S459 G463 L464 I465L418-H461 HydrophobicContact CD1-CB 4.21Å; V445-H461 HydrophobicContact CG2-CB 4.12Å; S459-H461 VanDerWaalsContact C-N 3.29Å; S459-H461 PolarHBondContact O-N 2.98Å; H461-G463 VanDerWaalsContact C-N 3.33Å; H461-G463 PolarHBondContact O-N 2.68Å; H461-L464 PolarHBondContact O-N 2.98Å; H461-I465 VanDerWaalsContact O-CG1 3.28Å; H461-I465 WeakPolarHBondContact O-CG1 3.21Å; H461-I465 PolarHBondContact O-N 3.45Å
462L90.9Very high80.5Confident0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-61.5-44.1176177.458.3000111.1L345 I350 V445 Y446 L447 P458 S459 L464 I465 L466L345-L462 HydrophobicContact CD1-CD1 3.82Å; L345-L462 HydrophobicContact CD1-CD2 3.62Å; L345-L462 HydrophobicContact CD1-CG 4.37Å; L345-L462 HydrophobicContact CG-CD2 4.21Å; I350-L462 HydrophobicContact CD1-CD1 4.29Å; V445-L462 HydrophobicContact CG1-CB 3.96Å; V445-L462 HydrophobicContact CG1-CD1 3.79Å; V445-L462 HydrophobicContact CG1-CG 4.37Å; Y446-L462 WeakPolarHBondContact O-CD2 3.24Å; L447-L462 HydrophobicContact CD2-CD2 3.82Å; L447-L462 HydrophobicContact CG-CD2 4.02Å; P458-L462 HydrophobicContact CB-CB 3.96Å; P458-L462 HydrophobicContact CB-CD2 3.67Å; P458-L462 HydrophobicContact CB-CG 3.78Å; S459-L462 PolarHBondContact O-N 3.03Å; S459-L462 VanDerWaalsContact O-N 3.13Å; S459-L462 VanDerWaalsContact OG-CB 3.24Å; S459-L462 WeakPolarHBondContact OG-CB 3.41Å; S459-L462 PolarHBondContact OG-N 2.85Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 PolarHBondContact O-N 3.34Å; L462-I465 PolarHBondContact O-N 3.31Å; L462-L466 HydrophobicContact CD1-CD1 3.85Å; L462-L466 HydrophobicContact CD1-CD2 4.17Å; L462-L466 HydrophobicContact CD1-CG 3.74Å; L462-L466 HydrophobicContact CG-CD1 3.89Å; L462-L466 HydrophobicContact CG-CG 4.21Å; L462-L466 WeakPolarHBondContact O-CB 3.23Å; L462-L466 VanDerWaalsContact O-CG 3.24Å; L462-L466 WeakPolarHBondContact O-CG 3.32Å; L462-L466 PolarHBondContact O-N 3.45Å
463G90Very high82.1Confident1 Ų129.6 Ų29.61%0.0115%0.149CC..Hα-helixtrans-56.1-47.5176.800000112.3S459 Y460 H461 F467 I500S459-G463 PolarHBondContact O-N 3.42Å; Y460-G463 PolarHBondContact O-N 2.92Å; H461-G463 VanDerWaalsContact C-N 3.33Å; H461-G463 PolarHBondContact O-N 2.68Å; G463-F467 VanDerWaalsContact O-CB 3.26Å; G463-F467 WeakPolarHBondContact O-CB 3.24Å; G463-F467 PolarHBondContact O-N 3.14Å; G463-I500 WeakPolarHBondContact O-CG2 3.24Å
464L89.6Confident83.7Confident0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-63.1-47.1176.5-76.7176.8000112.8L416 Y460 H461 L462 L466 F467 L468 L492 I495 I500L416-L464 HydrophobicContact CD2-CD1 4.05Å; Y460-L464 HydrophobicContact CD1-CD1 3.84Å; Y460-L464 HydrophobicContact CD1-CG 4.5Å; Y460-L464 HydrophobicContact CE1-CD1 3.25Å; Y460-L464 HydrophobicContact CE1-CG 4.1Å; Y460-L464 HydrophobicContact CE2-CD1 4.35Å; Y460-L464 HydrophobicContact CE2-CG 4.39Å; Y460-L464 PolarHBondContact O-N 3.49Å; H461-L464 PolarHBondContact O-N 2.98Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 PolarHBondContact O-N 3.34Å; L464-L466 PolarHBondContact O-N 3.45Å; L464-F467 PolarHBondContact O-N 3.07Å; L464-L468 WeakPolarHBondContact O-CB 3.24Å; L464-L468 VanDerWaalsContact O-CG 3.24Å; L464-L468 WeakPolarHBondContact O-CG 3.28Å; L464-L468 PolarHBondContact O-N 3.34Å; L464-L492 HydrophobicContact CD1-CD1 4.38Å; L464-L492 HydrophobicContact CD1-CD2 3.98Å; L464-L492 HydrophobicContact CD1-CG 3.97Å; L464-L492 HydrophobicContact CD2-CD1 3.93Å; L464-L492 HydrophobicContact CD2-CG 4.15Å; L464-I495 HydrophobicContact CD2-CD1 4.45Å; L464-I500 HydrophobicContact CD2-CD1 3.42Å; L464-I500 VanDerWaalsContact CD2-CD1 3.42Å; L464-I500 HydrophobicContact CD2-CG1 4.29Å; L464-I500 HydrophobicContact CG-CD1 4.14Å
465I91.8Very high84.9Confident0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-56.5-52.4178.2-71164.6000110I350 F409 I412 L413 L416 L418 V445 H461 L462 F467 L468 M469I350-I465 HydrophobicContact CD1-CG2 4.37Å; I350-I465 HydrophobicContact CG2-CG2 4.34Å; F409-I465 HydrophobicContact CD2-CG2 4.35Å; F409-I465 HydrophobicContact CE2-CG2 3.5Å; F409-I465 VanDerWaalsContact CE2-CG2 3.5Å; F409-I465 HydrophobicContact CZ-CG2 4Å; I412-I465 HydrophobicContact CG2-CG1 3.86Å; L413-I465 HydrophobicContact CD2-CD1 4.49Å; L416-I465 HydrophobicContact CD1-CD1 4.25Å; L416-I465 HydrophobicContact CD1-CG1 3.83Å; L418-I465 HydrophobicContact CD1-CD1 4.11Å; V445-I465 HydrophobicContact CG1-CD1 4.28Å; V445-I465 HydrophobicContact CG2-CD1 3.82Å; H461-I465 VanDerWaalsContact O-CG1 3.28Å; H461-I465 WeakPolarHBondContact O-CG1 3.21Å; H461-I465 PolarHBondContact O-N 3.45Å; L462-I465 PolarHBondContact O-N 3.31Å; I465-F467 VanDerWaalsContact C-N 3.32Å; I465-F467 PolarHBondContact O-N 3.03Å; I465-L468 PolarHBondContact O-N 3.33Å; I465-M469 HydrophobicContact CG2-CG 4.44Å; I465-M469 HydrophobicContact CG2-SD 3.88Å; I465-M469 WeakPolarHBondContact O-CB 3.33Å; I465-M469 VanDerWaalsContact O-CG 3.24Å; I465-M469 WeakPolarHBondContact O-CG 3.3Å; I465-M469 PolarHBondContact O-N 2.95Å
466L93Very high85.5Confident0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-60-42.6-180-68.4179.3000111.8L353 F354 L462 L464 Y470 I504 L507 L508 I511L353-L466 HydrophobicContact CD2-CD2 4.16Å; F354-L466 HydrophobicContact CE2-CD2 3.98Å; F354-L466 HydrophobicContact CZ-CD2 4.33Å; L462-L466 HydrophobicContact CD1-CD1 3.85Å; L462-L466 HydrophobicContact CD1-CD2 4.17Å; L462-L466 HydrophobicContact CD1-CG 3.74Å; L462-L466 HydrophobicContact CG-CD1 3.89Å; L462-L466 HydrophobicContact CG-CG 4.21Å; L462-L466 WeakPolarHBondContact O-CB 3.23Å; L462-L466 VanDerWaalsContact O-CG 3.24Å; L462-L466 WeakPolarHBondContact O-CG 3.32Å; L462-L466 PolarHBondContact O-N 3.45Å; L464-L466 PolarHBondContact O-N 3.45Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 PolarHBondContact O-N 2.71Å; L466-I504 HydrophobicContact CB-CB 4.39Å; L466-I504 HydrophobicContact CB-CD1 4.37Å; L466-I504 HydrophobicContact CB-CG2 3.95Å; L466-I504 HydrophobicContact CD1-CD1 4.34Å; L466-L507 HydrophobicContact CB-CD2 4.04Å; L466-L507 HydrophobicContact CD2-CD2 3.89Å; L466-L507 HydrophobicContact CG-CD2 4.4Å; L466-L508 HydrophobicContact CD1-CD2 3.93Å; L466-I511 HydrophobicContact CD1-CD1 3.69Å; L466-I511 HydrophobicContact CD2-CD1 3.98Å
467F91.5Very high85Confident7 Ų723.9 Ų23.93%0.03112%0.119CC..Hα-helixtrans-62.7-53.8179173.6-99.8000111.8G463 L464 I465 M469 Y470 T471 I495 T499 I500 T503 I504G463-F467 VanDerWaalsContact O-CB 3.26Å; G463-F467 WeakPolarHBondContact O-CB 3.24Å; G463-F467 PolarHBondContact O-N 3.14Å; L464-F467 PolarHBondContact O-N 3.07Å; I465-F467 VanDerWaalsContact C-N 3.32Å; I465-F467 PolarHBondContact O-N 3.03Å; F467-M469 PolarHBondContact O-N 3.45Å; F467-Y470 PolarHBondContact O-N 2.69Å; F467-T471 PolarHBondContact O-N 2.94Å; F467-T471 PolarHBondContact O-OG1 2.93Å; F467-T471 VanDerWaalsContact O-OG1 3.1Å; F467-I495 HydrophobicContact CD1-CD1 4.17Å; F467-I495 HydrophobicContact CE1-CD1 3.74Å; F467-I495 HydrophobicContact CE1-CG2 4.08Å; F467-I495 HydrophobicContact CZ-CG2 4.22Å; F467-T499 HydrophobicContact CE2-CG2 4.31Å; F467-T499 HydrophobicContact CZ-CG2 4.44Å; F467-I500 HydrophobicContact CB-CG2 4.07Å; F467-I500 HydrophobicContact CG-CG1 4.34Å; F467-T503 HydrophobicContact CD2-CG2 3.74Å; F467-T503 HydrophobicContact CE2-CG2 3.84Å; F467-I504 HydrophobicContact CB-CG2 3.87Å
468L91Very high84.2Confident1 Ų129 Ų291%0.00515%0.145CC..Hα-helixtrans-61.3-44.1-177.8-68.4171.1000111.8Y408 I412 L464 I465 T471 F472 L489 L492Y408-L468 HydrophobicContact CE1-CB 4.19Å; I412-L468 HydrophobicContact CB-CD1 4.35Å; I412-L468 HydrophobicContact CD1-CB 3.67Å; I412-L468 HydrophobicContact CD1-CD1 3.89Å; I412-L468 HydrophobicContact CD1-CG 4.49Å; I412-L468 HydrophobicContact CG1-CB 4.32Å; I412-L468 HydrophobicContact CG1-CD1 3.69Å; I412-L468 HydrophobicContact CG2-CD1 3.77Å; L464-L468 WeakPolarHBondContact O-CB 3.24Å; L464-L468 VanDerWaalsContact O-CG 3.24Å; L464-L468 WeakPolarHBondContact O-CG 3.28Å; L464-L468 PolarHBondContact O-N 3.34Å; I465-L468 PolarHBondContact O-N 3.33Å; L468-T471 PolarHBondContact O-N 3.06Å; L468-F472 WeakPolarHBondContact O-CB 3.28Å; L468-F472 PolarHBondContact O-N 2.94Å; L468-L489 HydrophobicContact CD1-CD2 3.89Å; L468-L489 HydrophobicContact CD2-CD2 4.44Å; L468-L492 HydrophobicContact CD1-CD1 3.43Å; L468-L492 VanDerWaalsContact CD1-CD1 3.43Å; L468-L492 HydrophobicContact CD2-CD1 3.84Å; L468-L492 HydrophobicContact CG-CD1 3.97Å
469M91.6Very high82.5Confident0 Ų032.7 Ų32.70%017%0.165CC..Hα-helixtrans-65.2-41.3177.9-71.5-175.483.600112.1I350 M351 F354 L405 F409 I412 I465 F467 F472 I473I350-M469 HydrophobicContact CG2-CE 4.11Å; I350-M469 HydrophobicContact CG2-SD 3.49Å; I350-M469 WeakPolarHBondContact CG2-SD 3.31Å; M351-M469 HydrophobicContact SD-CE 4.11Å; F354-M469 HydrophobicContact CB-CE 3.96Å; F354-M469 HydrophobicContact CD1-CB 4.28Å; F354-M469 HydrophobicContact CD2-CB 4.02Å; F354-M469 HydrophobicContact CD2-CE 3.15Å; F354-M469 HydrophobicContact CD2-CG 4.42Å; F354-M469 HydrophobicContact CD2-SD 3.41Å; F354-M469 WeakPolarHBondContact CD2-SD 3.49Å; F354-M469 HydrophobicContact CE1-CB 3.73Å; F354-M469 HydrophobicContact CE2-CB 3.48Å; F354-M469 VanDerWaalsContact CE2-CB 3.48Å; F354-M469 HydrophobicContact CE2-CE 3.7Å; F354-M469 HydrophobicContact CE2-CG 4.05Å; F354-M469 HydrophobicContact CE2-SD 3.26Å; F354-M469 WeakPolarHBondContact CE2-SD 3.44Å; F354-M469 HydrophobicContact CG-CB 4.38Å; F354-M469 HydrophobicContact CG-CE 3.66Å; F354-M469 HydrophobicContact CG-SD 4.36Å; F354-M469 HydrophobicContact CZ-CB 3.28Å; F354-M469 HydrophobicContact CZ-CG 4.32Å; F354-M469 HydrophobicContact CZ-SD 4.09Å; L405-M469 HydrophobicContact CD1-CE 3.91Å; L405-M469 HydrophobicContact CD2-CE 4.32Å; L405-M469 HydrophobicContact CG-CE 4.11Å; F409-M469 HydrophobicContact CD2-CE 3.56Å; F409-M469 HydrophobicContact CD2-CG 4.17Å; F409-M469 HydrophobicContact CD2-SD 3.28Å; F409-M469 WeakPolarHBondContact CD2-SD 3.46Å; F409-M469 HydrophobicContact CE2-CE 4.12Å; F409-M469 HydrophobicContact CE2-SD 3.42Å; F409-M469 WeakPolarHBondContact CE2-SD 3.37Å; I412-M469 HydrophobicContact CD1-CG 4.03Å; I465-M469 HydrophobicContact CG2-CG 4.44Å; I465-M469 HydrophobicContact CG2-SD 3.88Å; I465-M469 WeakPolarHBondContact O-CB 3.33Å; I465-M469 VanDerWaalsContact O-CG 3.24Å; I465-M469 WeakPolarHBondContact O-CG 3.3Å; I465-M469 PolarHBondContact O-N 2.95Å; F467-M469 PolarHBondContact O-N 3.45Å; M469-F472 WeakPolarHBondContact O-CB 3.47Å; M469-F472 PolarHBondContact O-N 3.31Å; M469-I473 PolarHBondContact O-N 2.91Å; M469-I473 VanDerWaalsContact O-N 3.08Å
470Y89.9Confident80.5Confident79 Ų7938.6 Ų38.631%0.3120%0.196SC..Hα-helixtrans-64.5-42.9176.7-177.1-98.1000111.8L466 F467 I473 S474 T503L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 PolarHBondContact O-N 2.71Å; F467-Y470 PolarHBondContact O-N 2.69Å; Y470-I473 PolarHBondContact O-N 3.33Å; Y470-S474 WeakPolarHBondContact O-CB 3.43Å; Y470-S474 PolarHBondContact O-N 2.73Å; Y470-S474 PolarHBondContact O-OG 3.2Å; Y470-T503 HydrophobicContact CD1-CG2 3.69Å; Y470-T503 HydrophobicContact CE1-CG2 4.01Å
471T85.3Confident78.3Confident23 Ų2340.3 Ų40.314%0.14122%0.224CC..Hα-helixtrans-63.6-40.4174.1-59.60000111.6F467 L468 I473 S474 N475F467-T471 PolarHBondContact O-N 2.94Å; F467-T471 PolarHBondContact O-OG1 2.93Å; F467-T471 VanDerWaalsContact O-OG1 3.1Å; L468-T471 PolarHBondContact O-N 3.06Å; T471-I473 PolarHBondContact O-N 3.2Å; T471-S474 PolarHBondContact O-N 3.37Å; T471-N475 WeakPolarHBondContact O-CB 3.35Å; T471-N475 VanDerWaalsContact O-CG 3.3Å; T471-N475 PolarHBondContact O-N 3.38Å
472F84.3Confident76Confident22 Ų2245.5 Ų45.510%0.09625%0.249CC..Hα-helixtrans-58.1-49.6176.7176.9-98.7000112L405 Y408 L468 M469 S474 N475 I476 Y486L405-F472 HydrophobicContact CB-CE1 4.21Å; L405-F472 HydrophobicContact CD1-CD1 3.66Å; L405-F472 HydrophobicContact CD1-CE1 3.92Å; Y408-F472 HydrophobicContact CD1-CB 3.73Å; Y408-F472 HydrophobicContact CD1-CD1 4.21Å; Y408-F472 AromaticContact CD1-CD2 3.71Å; Y408-F472 HydrophobicContact CD1-CD2 3.71Å; Y408-F472 HydrophobicContact CD1-CE2 4.37Å; Y408-F472 AromaticContact CD1-CG 3.61Å; Y408-F472 HydrophobicContact CD1-CG 3.61Å; Y408-F472 HydrophobicContact CD2-CD2 4.25Å; Y408-F472 HydrophobicContact CD2-CE2 4.49Å; Y408-F472 HydrophobicContact CE1-CB 3.56Å; Y408-F472 HydrophobicContact CE1-CD2 4.01Å; Y408-F472 AromaticContact CE1-CG 3.93Å; Y408-F472 HydrophobicContact CE1-CG 3.93Å; Y408-F472 AromaticContact CG-CD2 3.82Å; Y408-F472 HydrophobicContact CG-CD2 3.82Å; Y408-F472 HydrophobicContact CG-CE2 4.09Å; Y408-F472 HydrophobicContact CG-CG 4.16Å; L468-F472 WeakPolarHBondContact O-CB 3.28Å; L468-F472 PolarHBondContact O-N 2.94Å; M469-F472 WeakPolarHBondContact O-CB 3.47Å; M469-F472 PolarHBondContact O-N 3.31Å; F472-S474 VanDerWaalsContact C-N 3.35Å; F472-S474 PolarHBondContact O-N 3.27Å; F472-N475 PolarHBondContact O-N 3.46Å; F472-I476 HydrophobicContact CD1-CD1 3.84Å; F472-I476 HydrophobicContact CE1-CD1 3.37Å; F472-I476 HydrophobicContact CE2-CD1 4.25Å; F472-I476 HydrophobicContact CG-CD1 4.47Å; F472-I476 HydrophobicContact CZ-CD1 3.62Å; F472-I476 WeakPolarHBondContact O-CG1 3.13Å; F472-I476 PolarHBondContact O-N 3.2Å; F472-I476 VanDerWaalsContact O-N 3.15Å; F472-Y486 HydrophobicContact CD2-CD1 4.44Å; F472-Y486 HydrophobicContact CD2-CE1 4.33Å; F472-Y486 HydrophobicContact CE2-CD1 4.43Å; F472-Y486 AromaticContact CE2-CE1 3.87Å; F472-Y486 HydrophobicContact CE2-CE1 3.87Å
473I82Confident73.6Confident7 Ų754.8 Ų54.84%0.03629%0.292CS..Hα-helixtrans-65.8-39.2177.2-70.4161000111.3F354 I358 F361 L405 M469 Y470 T471 N475 I476 N477F354-I473 HydrophobicContact CB-CD1 3.92Å; F354-I473 HydrophobicContact CD1-CD1 3.24Å; F354-I473 HydrophobicContact CE1-CD1 4.03Å; F354-I473 HydrophobicContact CG-CD1 3.94Å; I358-I473 HydrophobicContact CD1-CD1 4.17Å; I358-I473 HydrophobicContact CD1-CG1 4.27Å; I358-I473 HydrophobicContact CG1-CD1 4.11Å; I358-I473 HydrophobicContact CG1-CG1 4.25Å; I358-I473 HydrophobicContact CG1-CG2 4.3Å; F361-I473 HydrophobicContact CD2-CG2 4.43Å; F361-I473 HydrophobicContact CE2-CG2 4.31Å; L405-I473 HydrophobicContact CD1-CD1 3.98Å; L405-I473 HydrophobicContact CD1-CG1 4.09Å; M469-I473 PolarHBondContact O-N 2.91Å; M469-I473 VanDerWaalsContact O-N 3.08Å; Y470-I473 PolarHBondContact O-N 3.33Å; T471-I473 PolarHBondContact O-N 3.2Å; I473-N475 VanDerWaalsContact C-N 3.33Å; I473-N475 PolarHBondContact O-N 3.42Å; I473-I476 PolarHBondContact O-N 3.02Å; I473-N477 PolarHBondContact O-N 2.96Å; I473-N477 PolarHBondContact O-ND2 3.46Å
474S79.5Confident71.2Confident30 Ų3062.8 Ų62.821%0.2133%0.329CS..Hα-helixtrans-64.5-36.3178.1-59.50000112.6Y470 T471 F472 N477 N478Y470-S474 WeakPolarHBondContact O-CB 3.43Å; Y470-S474 PolarHBondContact O-N 2.73Å; Y470-S474 PolarHBondContact O-OG 3.2Å; T471-S474 PolarHBondContact O-N 3.37Å; F472-S474 VanDerWaalsContact C-N 3.35Å; F472-S474 PolarHBondContact O-N 3.27Å; S474-N477 WeakPolarHBondContact O-CB 3.2Å; S474-N477 PolarHBondContact O-N 3.38Å; S474-N478 PolarHBondContact O-N 2.94Å; S474-N478 PolarHBondContact O-ND2 3.28Å
475N72.9Confident68.9Low63 Ų6367.2 Ų67.234%0.33736%0.359SS..Hα-helixtrans-71.5-39.5177.7-74.4-6.6000112T471 F472 I473 N477 N478 C485T471-N475 WeakPolarHBondContact O-CB 3.35Å; T471-N475 VanDerWaalsContact O-CG 3.3Å; T471-N475 PolarHBondContact O-N 3.38Å; F472-N475 PolarHBondContact O-N 3.46Å; I473-N475 VanDerWaalsContact C-N 3.33Å; I473-N475 PolarHBondContact O-N 3.42Å; N475-N477 PolarHBondContact O-N 3.3Å; N475-N478 PolarHBondContact O-N 3.18Å; N475-N478 VanDerWaalsContact O-N 3.12Å; N475-C485 PolarHBondContact ND2-O 3.06Å
476I68.5Low66.9Low59 Ų5974 Ų7430%0.30339%0.386SS..Hα-helixtrans-55.9-39.7172.7-73.4169.5000110.7F401 F472 I473 N478F401-I476 HydrophobicContact CD1-CD1 4.16Å; F401-I476 HydrophobicContact CD1-CG2 4.02Å; F401-I476 HydrophobicContact CE1-CD1 4.26Å; F401-I476 HydrophobicContact CE1-CG2 3.29Å; F401-I476 HydrophobicContact CZ-CG2 3.86Å; F472-I476 HydrophobicContact CD1-CD1 3.84Å; F472-I476 HydrophobicContact CE1-CD1 3.37Å; F472-I476 HydrophobicContact CE2-CD1 4.25Å; F472-I476 HydrophobicContact CG-CD1 4.47Å; F472-I476 HydrophobicContact CZ-CD1 3.62Å; F472-I476 WeakPolarHBondContact O-CG1 3.13Å; F472-I476 PolarHBondContact O-N 3.2Å; F472-I476 VanDerWaalsContact O-N 3.15Å; I473-I476 PolarHBondContact O-N 3.02Å; I476-N478 VanDerWaalsContact C-N 3.3Å; I476-N478 PolarHBondContact O-N 3.42Å
477N63.5Low65.2Low69 Ų6977.5 Ų77.537%0.36940%0.402SS..Hα-helixtrans-66.7-28.8179.8-65.3-25.8000113.8I473 S474 N475 N479I473-N477 PolarHBondContact O-N 2.96Å; I473-N477 PolarHBondContact O-ND2 3.46Å; S474-N477 WeakPolarHBondContact O-CB 3.2Å; S474-N477 PolarHBondContact O-N 3.38Å; N475-N477 PolarHBondContact O-N 3.3Å; N477-N479 VanDerWaalsContact C-N 3.26Å; N477-N479 PolarHBondContact O-N 2.88Å
478N60.4Low63.8Low110 Ų11079.6 Ų79.659%0.58842%0.418SS*.THydrogen-bonded Turntrans-84.54.2-173.6-72.3-28.4000114.1S474 N475 I476 D480S474-N478 PolarHBondContact O-N 2.94Å; S474-N478 PolarHBondContact O-ND2 3.28Å; N475-N478 PolarHBondContact O-N 3.18Å; N475-N478 VanDerWaalsContact O-N 3.12Å; I476-N478 VanDerWaalsContact C-N 3.3Å; I476-N478 PolarHBondContact O-N 3.42Å; N478-D480 PolarHBondContact O-N 3.13Å; N478-D480 VanDerWaalsContact O-N 3.12Å
479N53.2Low63Low80 Ų8081 Ų8143%0.42843%0.425SS..THydrogen-bonded Turntrans6124.7166.9-125.534.9000114.8N380 L381 N477 A481N380-N479 PolarHBondContact O-ND2 3.38Å; L381-N479 HydrophobicContact CD1-CB 4.02Å; L381-N479 HydrophobicContact CG-CB 4.49Å; L381-N479 WeakPolarHBondContact CG-ND2 3.39Å; L381-N479 WeakPolarHBondContact CG-OD1 3.4Å; N477-N479 VanDerWaalsContact C-N 3.26Å; N477-N479 PolarHBondContact O-N 2.88Å; N479-A481 VanDerWaalsContact C-N 3.28Å; N479-A481 PolarHBondContact O-N 3.01Å
480D45.5Very low62.1Low134 Ų13486.8 Ų86.872%0.71746%0.456SS*.  trans-70.889.8170.9-82.4-31.1000108.5N478 Q482N478-D480 PolarHBondContact O-N 3.13Å; N478-D480 VanDerWaalsContact O-N 3.12Å; D480-Q482 PolarHBondContact O-N 2.83Å
481A40.6Very low61.3Low106 Ų10687.5 Ų87.588%0.87647%0.465SS*.  trans-66.330.5175.800000113.7N479N479-A481 VanDerWaalsContact C-N 3.28Å; N479-A481 PolarHBondContact O-N 3.01Å
482Q40Very low60.8Low164 Ų16486.5 Ų86.577%0.76646%0.459SS*.SBendtrans-114.6121.7165.7-71.6-165.8-16.800109.2D480 Q484D480-Q482 PolarHBondContact O-N 2.83Å; Q482-Q484 PolarHBondContact O-N 2.98Å
483Q41.6Very low60.4Low196 Ų19692.2 Ų92.292%0.91648%0.481SS*.SBendtrans-54.626.2175.5-80.6173.8-37.400116.2
484Q39.5Very low60.3Low169 Ų16997.9 Ų97.979%0.7951%0.511SS*.  trans-148.868.6-170.8-70.7-174.6-18.500112.6Q482Q482-Q484 PolarHBondContact O-N 2.98Å
485C40.2Very low60.2Low93 Ų9398 Ų9863%0.62851%0.509SS*.  trans-155.155.5151.6-137.70000111.5N475 Q487N475-C485 PolarHBondContact ND2-O 3.06Å; C485-Q487 PolarHBondContact O-N 2.88Å
486Y51.3Low60.7Low143 Ų14397.7 Ų97.756%0.56151%0.512SS*.SBendtrans-59.3129.3144.8-56.8-79.3000105.1Y408 F472 S488Y408-Y486 AromaticContact CD2-CD1 3.9Å; Y408-Y486 HydrophobicContact CD2-CD1 3.9Å; Y408-Y486 HydrophobicContact CD2-CE1 4.13Å; Y408-Y486 AromaticContact CE2-CD1 3.75Å; Y408-Y486 HydrophobicContact CE2-CD1 3.75Å; Y408-Y486 HydrophobicContact CE2-CE1 4.44Å; F472-Y486 HydrophobicContact CD2-CD1 4.44Å; F472-Y486 HydrophobicContact CD2-CE1 4.33Å; F472-Y486 HydrophobicContact CE2-CD1 4.43Å; F472-Y486 AromaticContact CE2-CE1 3.87Å; F472-Y486 HydrophobicContact CE2-CE1 3.87Å; Y486-S488 VanDerWaalsContact C-N 3.32Å; Y486-S488 PolarHBondContact O-N 3.39Å
487Q56.3Low61.3Low72 Ų7298.8 Ų98.834%0.33652%0.516SS..  trans-53.3114.2157.1-94.4-179.2-13.200104.8C485 L489C485-Q487 PolarHBondContact O-N 2.88Å; Q487-L489 PolarHBondContact O-N 3.2Å
488S62.5Low62.1Low52 Ų52101.8 Ų101.836%0.36453%0.532SS..  trans-53.3117.8-179.6151.30000106.4Y486 D490 N491Y486-S488 VanDerWaalsContact C-N 3.32Å; Y486-S488 PolarHBondContact O-N 3.39Å; S488-D490 PolarHBondContact O-N 3.49Å; S488-D490 WeakPolarHBondContact OG-CB 3.39Å; S488-D490 PolarHBondContact OG-N 3.29Å; S488-D490 PolarHBondContact OG-OD2 3.38Å; S488-N491 PolarHBondContact O-N 2.9Å
489L75Confident63.2Low31 Ų3199.6 Ų99.616%0.16252%0.522CS..G310 helixtrans-57-12.6175.7-71.4171.9000110.8Q411 I412 K415 L468 Q487 N491 L492Q411-L489 HydrophobicContact CB-CD1 4.06Å; I412-L489 HydrophobicContact CG1-CD2 4.31Å; K415-L489 HydrophobicContact CB-CD1 4.47Å; K415-L489 HydrophobicContact CD-CB 4.18Å; K415-L489 WeakPolarHBondContact CE-O 3.45Å; K415-L489 HydrophobicContact CG-CB 4.12Å; L468-L489 HydrophobicContact CD1-CD2 3.89Å; L468-L489 HydrophobicContact CD2-CD2 4.44Å; Q487-L489 PolarHBondContact O-N 3.2Å; L489-N491 PolarHBondContact O-N 3.35Å; L489-L492 WeakPolarHBondContact O-CB 3.24Å; L489-L492 PolarHBondContact O-N 3.46Å
490D71.5Confident64.7Low120 Ų12096 Ų9664%0.64250%0.503SS*.G310 helixtrans-68.3-21.3176.7-47.8-47.7000113.2K415 S488K415-D490 IonicContact NZ-OD1 3.93Å; K415-D490 PolarHBondContact NZ-OD1 3.01Å; S488-D490 PolarHBondContact O-N 3.49Å; S488-D490 WeakPolarHBondContact OG-CB 3.39Å; S488-D490 PolarHBondContact OG-N 3.29Å; S488-D490 PolarHBondContact OG-OD2 3.38Å
491N73Confident66.5Low94 Ų9491.6 Ų91.650%0.50348%0.477SS..G310 helixtrans-106.716.7177.9-70.7-50.8000113.6S488 L489 Y493 N494S488-N491 PolarHBondContact O-N 2.9Å; L489-N491 PolarHBondContact O-N 3.35Å; N491-Y493 VanDerWaalsContact C-N 3.3Å; N491-Y493 PolarHBondContact O-N 3.04Å; N491-N494 WeakPolarHBondContact O-CB 3.26Å; N491-N494 PolarHBondContact O-N 3.2Å; N491-N494 PolarHBondContact OD1-ND2 2.81Å
492L75.9Confident68.5Low2 Ų290.7 Ų90.71%0.0146%0.464CS..G310 helixtrans-52.8-45.8-174-171.172.7000113.2K415 L416 L464 L468 L489 N494 I495K415-L492 HydrophobicContact CG-CD2 4.4Å; L416-L492 HydrophobicContact CD2-CD2 3.42Å; L416-L492 VanDerWaalsContact CD2-CD2 3.42Å; L416-L492 HydrophobicContact CG-CD2 4.16Å; L464-L492 HydrophobicContact CD1-CD1 4.38Å; L464-L492 HydrophobicContact CD1-CD2 3.98Å; L464-L492 HydrophobicContact CD1-CG 3.97Å; L464-L492 HydrophobicContact CD2-CD1 3.93Å; L464-L492 HydrophobicContact CD2-CG 4.15Å; L468-L492 HydrophobicContact CD1-CD1 3.43Å; L468-L492 VanDerWaalsContact CD1-CD1 3.43Å; L468-L492 HydrophobicContact CD2-CD1 3.84Å; L468-L492 HydrophobicContact CG-CD1 3.97Å; L489-L492 WeakPolarHBondContact O-CB 3.24Å; L489-L492 PolarHBondContact O-N 3.46Å; L492-N494 PolarHBondContact O-N 3.49Å; L492-I495 HydrophobicContact CD1-CD1 4.29Å; L492-I495 WeakPolarHBondContact O-CG1 3.41Å; L492-I495 PolarHBondContact O-N 3.16Å
493Y75.6Confident70.7Confident143 Ų14385.1 Ų85.156%0.56144%0.441SS*.G310 helixtrans-76-5-178.2-58.6-71.5000114.2Y460 N491Y460-Y493 HydrophobicContact CE1-CD1 4.39Å; Y460-Y493 HydrophobicContact CE1-CE1 4.47Å; N491-Y493 VanDerWaalsContact C-N 3.3Å; N491-Y493 PolarHBondContact O-N 3.04Å
494N79.2Confident73Confident126 Ų12675.8 Ų75.867%0.67440%0.398SS*.G310 helixtrans-91.2-5.5176.5-64-27.7000112.4N491 L492N491-N494 WeakPolarHBondContact O-CB 3.26Å; N491-N494 PolarHBondContact O-N 3.2Å; N491-N494 PolarHBondContact OD1-ND2 2.81Å; L492-N494 PolarHBondContact O-N 3.49Å
495I78.8Confident75.2Confident32 Ų3268.9 Ų68.916%0.16437%0.365CS..SBendtrans-78.7124.3179.3-53.2163.8000108.8L464 F467 L492 T499 I500L464-I495 HydrophobicContact CD2-CD1 4.45Å; F467-I495 HydrophobicContact CD1-CD1 4.17Å; F467-I495 HydrophobicContact CE1-CD1 3.74Å; F467-I495 HydrophobicContact CE1-CG2 4.08Å; F467-I495 HydrophobicContact CZ-CG2 4.22Å; L492-I495 HydrophobicContact CD1-CD1 4.29Å; L492-I495 WeakPolarHBondContact O-CG1 3.41Å; L492-I495 PolarHBondContact O-N 3.16Å; I495-T499 HydrophobicContact CG2-CG2 4.35Å; I495-I500 HydrophobicContact CB-CD1 4.37Å; I495-I500 HydrophobicContact CB-CG1 4.4Å; I495-I500 HydrophobicContact CG2-CD1 4.1Å; I495-I500 HydrophobicContact CG2-CG1 3.61Å
496S83.2Confident77.5Confident56 Ų5669.9 Ų69.939%0.39237%0.369SS..  trans-67.9141179.287.70000111.5N498 T499 I500S496-N498 PolarHBondContact O-N 3.39Å; S496-T499 WeakPolarHBondContact O-CB 3.38Å; S496-T499 PolarHBondContact O-N 2.92Å; S496-T499 PolarHBondContact OG-N 3.11Å; S496-T499 PolarHBondContact OG-OG1 3.36Å; S496-I500 PolarHBondContact O-N 2.81Å; S496-I500 VanDerWaalsContact O-N 3.11Å
497E80Confident79.4Confident82 Ų8263.5 Ų63.538%0.38334%0.344SS..Hα-helixtrans-53.5-42.7176-72.9-173.8-173.600111.5N455 Y460 T499 I500 Y501N455-E497 PolarHBondContact ND2-OE2 3.4Å; Y460-E497 HydrophobicContact CD2-CG 4.35Å; Y460-E497 HydrophobicContact CE2-CG 4.26Å; E497-T499 VanDerWaalsContact C-N 3.27Å; E497-T499 PolarHBondContact O-N 3.4Å; E497-I500 WeakPolarHBondContact O-CB 3.41Å; E497-I500 PolarHBondContact O-N 2.96Å; E497-Y501 HydrophobicContact CB-CD2 4.05Å; E497-Y501 HydrophobicContact CB-CE2 4.02Å; E497-Y501 HydrophobicContact CG-CE2 4.47Å; E497-Y501 WeakPolarHBondContact O-CD2 3.49Å; E497-Y501 PolarHBondContact O-N 3.39Å
498N81.4Confident81.1Confident133 Ų13360.2 Ų60.271%0.71133%0.329SS*.Hα-helixtrans-56.8-39.7176.9-70.1-32000112.7S496 S502S496-N498 PolarHBondContact O-N 3.39Å; N498-S502 VanDerWaalsContact O-CB 3.26Å; N498-S502 WeakPolarHBondContact O-CB 3.24Å; N498-S502 PolarHBondContact O-N 3.36Å; N498-S502 PolarHBondContact O-OG 2.57Å
499T83.9Confident82.4Confident63 Ų6360 Ų6039%0.38732%0.324SS..Hα-helixtrans-66-43.5176-550000111.1F467 I495 S496 E497 S502 T503F467-T499 HydrophobicContact CE2-CG2 4.31Å; F467-T499 HydrophobicContact CZ-CG2 4.44Å; I495-T499 HydrophobicContact CG2-CG2 4.35Å; S496-T499 WeakPolarHBondContact O-CB 3.38Å; S496-T499 PolarHBondContact O-N 2.92Å; S496-T499 PolarHBondContact OG-N 3.11Å; S496-T499 PolarHBondContact OG-OG1 3.36Å; E497-T499 VanDerWaalsContact C-N 3.27Å; E497-T499 PolarHBondContact O-N 3.4Å; T499-S502 PolarHBondContact O-OG 3.12Å; T499-T503 WeakPolarHBondContact O-CB 3.24Å; T499-T503 PolarHBondContact O-N 3.29Å; T499-T503 PolarHBondContact O-OG1 3.14Å
500I84.5Confident83.2Confident4 Ų462.4 Ų62.42%0.02133%0.331CS..Hα-helixtrans-59.8-59.2177.5-64.9167.4000109.2Y460 G463 L464 F467 I495 S496 E497 S502 T503 I504Y460-I500 HydrophobicContact CE2-CD1 4.28Å; G463-I500 WeakPolarHBondContact O-CG2 3.24Å; L464-I500 HydrophobicContact CD2-CD1 3.42Å; L464-I500 VanDerWaalsContact CD2-CD1 3.42Å; L464-I500 HydrophobicContact CD2-CG1 4.29Å; L464-I500 HydrophobicContact CG-CD1 4.14Å; F467-I500 HydrophobicContact CB-CG2 4.07Å; F467-I500 HydrophobicContact CG-CG1 4.34Å; I495-I500 HydrophobicContact CB-CD1 4.37Å; I495-I500 HydrophobicContact CB-CG1 4.4Å; I495-I500 HydrophobicContact CG2-CD1 4.1Å; I495-I500 HydrophobicContact CG2-CG1 3.61Å; S496-I500 PolarHBondContact O-N 2.81Å; S496-I500 VanDerWaalsContact O-N 3.11Å; E497-I500 WeakPolarHBondContact O-CB 3.41Å; E497-I500 PolarHBondContact O-N 2.96Å; I500-S502 PolarHBondContact O-N 2.9Å; I500-T503 PolarHBondContact O-N 3.4Å; I500-T503 VanDerWaalsContact O-N 3.15Å; I500-I504 HydrophobicContact CG2-CD1 4.08Å; I500-I504 WeakPolarHBondContact O-CG1 3.43Å; I500-I504 PolarHBondContact O-N 3.21Å
501Y82.7Confident84.3Confident43 Ų4356.7 Ų56.717%0.16930%0.3CS..Hα-helixtrans-60.1-46.1-175.2-76.5-72.2000112.5P458 E497 T503 I504 Q505P458-Y501 HydrophobicContact CG-CD1 4.26Å; P458-Y501 HydrophobicContact CG-CE1 3.55Å; P458-Y501 PolarHBondContact O-OH 2.8Å; E497-Y501 HydrophobicContact CB-CD2 4.05Å; E497-Y501 HydrophobicContact CB-CE2 4.02Å; E497-Y501 HydrophobicContact CG-CE2 4.47Å; E497-Y501 WeakPolarHBondContact O-CD2 3.49Å; E497-Y501 PolarHBondContact O-N 3.39Å; Y501-T503 PolarHBondContact O-N 2.9Å; Y501-I504 PolarHBondContact O-N 3.02Å; Y501-Q505 PolarHBondContact O-N 3.35Å
502S83.7Confident85.4Confident87 Ų8752.5 Ų52.561%0.60828%0.277SS*.Hα-helixtrans-62-32.3178.856.50000113.2N498 T499 I500N498-S502 VanDerWaalsContact O-CB 3.26Å; N498-S502 WeakPolarHBondContact O-CB 3.24Å; N498-S502 PolarHBondContact O-N 3.36Å; N498-S502 PolarHBondContact O-OG 2.57Å; T499-S502 PolarHBondContact O-OG 3.12Å; I500-S502 PolarHBondContact O-N 2.9Å
503T85.7Confident86.3Confident47 Ų4755.9 Ų55.929%0.28830%0.298SS..Hα-helixtrans-76.3-40.9178.8-56.20000111.8F467 Y470 T499 I500 Y501F467-T503 HydrophobicContact CD2-CG2 3.74Å; F467-T503 HydrophobicContact CE2-CG2 3.84Å; Y470-T503 HydrophobicContact CD1-CG2 3.69Å; Y470-T503 HydrophobicContact CE1-CG2 4.01Å; T499-T503 WeakPolarHBondContact O-CB 3.24Å; T499-T503 PolarHBondContact O-N 3.29Å; T499-T503 PolarHBondContact O-OG1 3.14Å; I500-T503 PolarHBondContact O-N 3.4Å; I500-T503 VanDerWaalsContact O-N 3.15Å; Y501-T503 PolarHBondContact O-N 2.9Å
504I89.2Confident87.2Confident0 Ų050.8 Ų50.80%028%0.281CS..Hα-helixtrans-89.2-0.7-175.170.3179.2000113.4P458 L466 F467 I500 Y501 T506 L507 L508P458-I504 HydrophobicContact CG-CD1 4.15Å; L466-I504 HydrophobicContact CB-CB 4.39Å; L466-I504 HydrophobicContact CB-CD1 4.37Å; L466-I504 HydrophobicContact CB-CG2 3.95Å; L466-I504 HydrophobicContact CD1-CD1 4.34Å; F467-I504 HydrophobicContact CB-CG2 3.87Å; I500-I504 HydrophobicContact CG2-CD1 4.08Å; I500-I504 WeakPolarHBondContact O-CG1 3.43Å; I500-I504 PolarHBondContact O-N 3.21Å; Y501-I504 PolarHBondContact O-N 3.02Å; I504-T506 PolarHBondContact O-N 3.2Å; I504-L507 CarbonylContact O-C 3.53Å; I504-L507 WeakPolarHBondContact O-CA 3.44Å; I504-L507 VanDerWaalsContact O-CB 3.24Å; I504-L507 WeakPolarHBondContact O-CB 3.26Å; I504-L507 PolarHBondContact O-N 3.4Å; I504-L508 HydrophobicContact CD1-CD1 4.09Å; I504-L508 HydrophobicContact CD1-CG 4.28Å; I504-L508 HydrophobicContact CG1-CD1 3.93Å; I504-L508 HydrophobicContact CG1-CG 4.1Å; I504-L508 PolarHBondContact O-N 3.41Å
505Q86.6Confident88.1Confident23 Ų2345 Ų4511%0.10725%0.25CC..Hα-helixtrans-56.7-45.1-172-17062.110.300113.7Y501 L507 L508 N509 S579 M583Y501-Q505 PolarHBondContact O-N 3.35Å; Q505-L507 VanDerWaalsContact C-N 3.27Å; Q505-L507 PolarHBondContact O-N 3.4Å; Q505-L508 PolarHBondContact O-N 3.22Å; Q505-N509 PolarHBondContact O-N 3.12Å; Q505-N509 VanDerWaalsContact O-N 3.13Å; Q505-S579 PolarHBondContact NE2-O 3.11Å; Q505-S579 PolarHBondContact NE2-OG 2.98Å; Q505-M583 HydrophobicContact CG-SD 4.13Å
506T87.1Confident88.9Confident115 Ų11546.1 Ų46.171%0.70626%0.255SS*.Hα-helixtrans-65.2-35175.7-54.30000111.5I504 N509 R510I504-T506 PolarHBondContact O-N 3.2Å; T506-N509 PolarHBondContact O-N 2.87Å; T506-R510 PolarHBondContact O-N 3Å; T506-R510 VanDerWaalsContact O-N 3.13Å
507L91.2Very high89.6Confident8 Ų848.7 Ų48.74%0.04226%0.261CS..Hα-helixtrans-67.9-41.7177.1-172.456.7000111.5L353 F354 L357 L466 I504 Q505 N509 R510 I511L353-L507 HydrophobicContact CD1-CD1 3.88Å; L353-L507 HydrophobicContact CD2-CD1 3.68Å; L353-L507 HydrophobicContact CD2-CD2 4.45Å; L353-L507 HydrophobicContact CD2-CG 4.12Å; L353-L507 HydrophobicContact CG-CD1 3.89Å; F354-L507 HydrophobicContact CE1-CD2 3.97Å; F354-L507 HydrophobicContact CE2-CD2 4.29Å; F354-L507 HydrophobicContact CZ-CD2 3.5Å; L357-L507 HydrophobicContact CD1-CD1 3.63Å; L466-L507 HydrophobicContact CB-CD2 4.04Å; L466-L507 HydrophobicContact CD2-CD2 3.89Å; L466-L507 HydrophobicContact CG-CD2 4.4Å; I504-L507 CarbonylContact O-C 3.53Å; I504-L507 WeakPolarHBondContact O-CA 3.44Å; I504-L507 VanDerWaalsContact O-CB 3.24Å; I504-L507 WeakPolarHBondContact O-CB 3.26Å; I504-L507 PolarHBondContact O-N 3.4Å; Q505-L507 VanDerWaalsContact C-N 3.27Å; Q505-L507 PolarHBondContact O-N 3.4Å; L507-N509 PolarHBondContact O-N 3.43Å; L507-R510 WeakPolarHBondContact O-CB 3.36Å; L507-R510 PolarHBondContact O-N 2.97Å; L507-I511 HydrophobicContact CG-CD1 4.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.46Å; L507-I511 PolarHBondContact O-N 3.03Å
508L91.6Very high90.3Very high3 Ų346.1 Ų46.12%0.01625%0.249CC..Hα-helixtrans-60.4-44.6174.7-70.6174.8000111.8L447 P458 L466 I504 Q505 R510 I511 Y512L447-L508 HydrophobicContact CD2-CD2 4.24Å; P458-L508 HydrophobicContact CB-CD2 4.26Å; P458-L508 HydrophobicContact CG-CD1 3.98Å; P458-L508 HydrophobicContact CG-CD2 3.87Å; L466-L508 HydrophobicContact CD1-CD2 3.93Å; I504-L508 HydrophobicContact CD1-CD1 4.09Å; I504-L508 HydrophobicContact CD1-CG 4.28Å; I504-L508 HydrophobicContact CG1-CD1 3.93Å; I504-L508 HydrophobicContact CG1-CG 4.1Å; I504-L508 PolarHBondContact O-N 3.41Å; Q505-L508 PolarHBondContact O-N 3.22Å; L508-R510 VanDerWaalsContact C-N 3.29Å; L508-R510 PolarHBondContact O-N 3.21Å; L508-I511 HydrophobicContact CD2-CD1 4.36Å; L508-I511 WeakPolarHBondContact O-CB 3.48Å; L508-I511 PolarHBondContact O-N 2.99Å; L508-I511 VanDerWaalsContact O-N 3.13Å; L508-Y512 HydrophobicContact CB-CE2 4.02Å; L508-Y512 WeakPolarHBondContact O-CD2 3.35Å; L508-Y512 PolarHBondContact O-N 3.06Å
509N90.4Very high91.1Very high48 Ų4840 Ų4026%0.25722%0.216SC..Hα-helixtrans-60.5-40.1175.6-70.1-23.4000111.9Q505 T506 L507 Y512 T513 S579Q505-N509 PolarHBondContact O-N 3.12Å; Q505-N509 VanDerWaalsContact O-N 3.13Å; T506-N509 PolarHBondContact O-N 2.87Å; L507-N509 PolarHBondContact O-N 3.43Å; N509-Y512 PolarHBondContact O-N 2.98Å; N509-T513 PolarHBondContact O-N 3.16Å; N509-T513 PolarHBondContact O-OG1 2.86Å; N509-S579 PolarHBondContact OD1-OG 3.49Å
510R92.7Very high91.7Very high82 Ų8242.9 Ų42.931%0.30922%0.224SC..Hα-helixtrans-63.2-42.5173.8-176173.4-179.8154.11.1111.7L353 T506 L507 L508 T513 I514L353-R510 HydrophobicContact CD1-CG 4.2Å; T506-R510 PolarHBondContact O-N 3Å; T506-R510 VanDerWaalsContact O-N 3.13Å; L507-R510 WeakPolarHBondContact O-CB 3.36Å; L507-R510 PolarHBondContact O-N 2.97Å; L508-R510 VanDerWaalsContact C-N 3.29Å; L508-R510 PolarHBondContact O-N 3.21Å; R510-T513 PolarHBondContact O-N 2.62Å; R510-I514 HydrophobicContact CG-CD1 4Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.42Å; R510-I514 PolarHBondContact O-N 3.05Å
511I94.9Very high92.2Very high0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-58.4-47.7175-70.2166.8000110.3L345 F349 L353 L447 L466 L507 L508 T513 I514 L515L345-I511 HydrophobicContact CD1-CD1 4.36Å; L345-I511 HydrophobicContact CD1-CG2 4.17Å; F349-I511 HydrophobicContact CE1-CG1 4.21Å; F349-I511 HydrophobicContact CE1-CG2 4.03Å; F349-I511 HydrophobicContact CZ-CG2 4.02Å; L353-I511 HydrophobicContact CD1-CG1 4.24Å; L353-I511 HydrophobicContact CD2-CD1 3.71Å; L353-I511 HydrophobicContact CD2-CG1 3.57Å; L447-I511 HydrophobicContact CD1-CG2 3.99Å; L466-I511 HydrophobicContact CD1-CD1 3.69Å; L466-I511 HydrophobicContact CD2-CD1 3.98Å; L507-I511 HydrophobicContact CG-CD1 4.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.46Å; L507-I511 PolarHBondContact O-N 3.03Å; L508-I511 HydrophobicContact CD2-CD1 4.36Å; L508-I511 WeakPolarHBondContact O-CB 3.48Å; L508-I511 PolarHBondContact O-N 2.99Å; L508-I511 VanDerWaalsContact O-N 3.13Å; I511-T513 VanDerWaalsContact C-N 3.33Å; I511-T513 PolarHBondContact O-N 3.3Å; I511-I514 PolarHBondContact O-N 3.38Å; I511-L515 HydrophobicContact CG2-CD1 3.83Å; I511-L515 HydrophobicContact CG2-CG 4.25Å; I511-L515 VanDerWaalsContact O-CG 3.29Å; I511-L515 WeakPolarHBondContact O-CG 3.48Å; I511-L515 PolarHBondContact O-N 3.45Å
512Y94.4Very high92.9Very high5 Ų543.5 Ų43.52%0.0223%0.23CC..Hα-helixtrans-62.6-38.9179.6-54.6-34.3000112.7L447 L508 N509 L515 L516 L575L447-Y512 HydrophobicContact CD1-CD1 4.28Å; L447-Y512 HydrophobicContact CD1-CE1 3.9Å; L447-Y512 HydrophobicContact CD2-CE1 3.97Å; L508-Y512 HydrophobicContact CB-CE2 4.02Å; L508-Y512 WeakPolarHBondContact O-CD2 3.35Å; L508-Y512 PolarHBondContact O-N 3.06Å; N509-Y512 PolarHBondContact O-N 2.98Å; Y512-L515 PolarHBondContact O-N 2.71Å; Y512-L516 WeakPolarHBondContact O-CG 3.32Å; Y512-L516 PolarHBondContact O-N 3.36Å; Y512-L575 HydrophobicContact CD1-CB 4.41Å; Y512-L575 HydrophobicContact CE1-CB 4.02Å; Y512-L575 HydrophobicContact CE1-CD1 4.24Å
513T94.8Very high93.5Very high74 Ų7442 Ų4245%0.45421%0.211SC..Hα-helixtrans-61.2-48173.2-58.50000111.5N509 R510 I511 L515 L516 E517N509-T513 PolarHBondContact O-N 3.16Å; N509-T513 PolarHBondContact O-OG1 2.86Å; R510-T513 PolarHBondContact O-N 2.62Å; I511-T513 VanDerWaalsContact C-N 3.33Å; I511-T513 PolarHBondContact O-N 3.3Å; T513-L515 VanDerWaalsContact C-N 3.32Å; T513-L515 PolarHBondContact O-N 3.21Å; T513-L516 PolarHBondContact O-N 2.96Å; T513-E517 WeakPolarHBondContact O-CG 3.15Å; T513-E517 PolarHBondContact O-N 3.2Å
514I96.1Very high94Very high36 Ų3645.1 Ų45.119%0.18522%0.222CC..Hα-helixtrans-59.5-44.1177.9-67.5164.6000110.6F349 L353 R510 I511 L516 E517 Q518F349-I514 HydrophobicContact CE2-CG2 3.76Å; F349-I514 HydrophobicContact CZ-CB 4.46Å; F349-I514 HydrophobicContact CZ-CG2 4.01Å; L353-I514 HydrophobicContact CD1-CD1 3.73Å; R510-I514 HydrophobicContact CG-CD1 4Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.42Å; R510-I514 PolarHBondContact O-N 3.05Å; I511-I514 PolarHBondContact O-N 3.38Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 2.96Å; I514-E517 PolarHBondContact O-N 3.26Å; I514-Q518 HydrophobicContact CG2-CG 4.28Å; I514-Q518 WeakPolarHBondContact O-CG 3.41Å; I514-Q518 PolarHBondContact O-N 3.23Å
515L96.7Very high94.1Very high5 Ų547.9 Ų47.93%0.02623%0.234CC..Hα-helixtrans-63.4-38.6179.1-68.7172.3000112.3I343 L345 F349 L447 I511 Y512 T513 L519 I572I343-L515 HydrophobicContact CD1-CD1 4.27Å; I343-L515 HydrophobicContact CG2-CD1 4.26Å; I343-L515 HydrophobicContact CG2-CD2 4.1Å; L345-L515 HydrophobicContact CD2-CD2 4.37Å; F349-L515 HydrophobicContact CE2-CD2 3.9Å; F349-L515 HydrophobicContact CE2-CG 4.5Å; F349-L515 HydrophobicContact CZ-CD2 4.1Å; F349-L515 HydrophobicContact CZ-CG 4.31Å; L447-L515 HydrophobicContact CD1-CD1 3.59Å; I511-L515 HydrophobicContact CG2-CD1 3.83Å; I511-L515 HydrophobicContact CG2-CG 4.25Å; I511-L515 VanDerWaalsContact O-CG 3.29Å; I511-L515 WeakPolarHBondContact O-CG 3.48Å; I511-L515 PolarHBondContact O-N 3.45Å; Y512-L515 PolarHBondContact O-N 2.71Å; T513-L515 VanDerWaalsContact C-N 3.32Å; T513-L515 PolarHBondContact O-N 3.21Å; L515-L519 VanDerWaalsContact O-CB 3.3Å; L515-L519 WeakPolarHBondContact O-CB 3.3Å; L515-L519 PolarHBondContact O-N 3.42Å; L515-I572 HydrophobicContact CB-CD1 3.97Å; L515-I572 HydrophobicContact CB-CG2 4.38Å
516L96.7Very high94.5Very high54 Ų5446.8 Ų46.828%0.28323%0.229SC..Hα-helixtrans-68-36.8174.7-72.4171.3000112.2Y512 T513 I514 K520 E569 I572 K573Y512-L516 WeakPolarHBondContact O-CG 3.32Å; Y512-L516 PolarHBondContact O-N 3.36Å; T513-L516 PolarHBondContact O-N 2.96Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 2.96Å; L516-K520 WeakPolarHBondContact O-CB 3.36Å; L516-K520 PolarHBondContact O-N 2.88Å; L516-E569 HydrophobicContact CD2-CG 4.17Å; L516-I572 HydrophobicContact CD1-CG2 4.33Å; L516-I572 HydrophobicContact CD2-CB 4.06Å; L516-I572 HydrophobicContact CD2-CG2 3.79Å; L516-I572 HydrophobicContact CG-CG2 3.68Å; L516-K573 HydrophobicContact CD2-CG 4.43Å
517E96.7Very high94.7Very high111 Ų11144 Ų4452%0.51921%0.211SC..Hα-helixtrans-65.8-49.1174.9-72.5171.8176.700111.2T513 I514 L519 K520 D521T513-E517 WeakPolarHBondContact O-CG 3.15Å; T513-E517 PolarHBondContact O-N 3.2Å; I514-E517 PolarHBondContact O-N 3.26Å; E517-L519 VanDerWaalsContact C-N 3.29Å; E517-L519 PolarHBondContact O-N 2.88Å; E517-K520 WeakPolarHBondContact O-CB 3.29Å; E517-K520 PolarHBondContact O-N 3.32Å; E517-K520 VanDerWaalsContact O-N 3.14Å; E517-D521 PolarHBondContact O-N 3.44Å
518Q96.1Very high94.7Very high27 Ų2749.6 Ų49.613%0.12624%0.237CC..Hα-helixtrans-55.2-45.2174.7-71.8179.4-30.900111.6H163 I514 K520 D521 D522H163-Q518 HydrophobicContact CB-CB 4.01Å; H163-Q518 HydrophobicContact CB-CG 3.98Å; H163-Q518 PolarHBondContact O-NE2 2.92Å; H163-Q518 VanDerWaalsContact O-NE2 3.17Å; I514-Q518 HydrophobicContact CG2-CG 4.28Å; I514-Q518 WeakPolarHBondContact O-CG 3.41Å; I514-Q518 PolarHBondContact O-N 3.23Å; Q518-K520 VanDerWaalsContact C-N 3.33Å; Q518-K520 PolarHBondContact O-N 3.25Å; Q518-D521 PolarHBondContact O-N 3.43Å; Q518-D522 WeakPolarHBondContact O-CB 3.4Å; Q518-D522 PolarHBondContact O-N 2.78Å
519L96.6Very high94.6Very high4 Ų449.6 Ų49.62%0.02124%0.237CC..Hα-helixtrans-63.5-39.2179.6-171.765.4000112.5L515 E517 D522 R523 F565 R568 E569 I572L515-L519 VanDerWaalsContact O-CB 3.3Å; L515-L519 WeakPolarHBondContact O-CB 3.3Å; L515-L519 PolarHBondContact O-N 3.42Å; E517-L519 VanDerWaalsContact C-N 3.29Å; E517-L519 PolarHBondContact O-N 2.88Å; L519-D522 PolarHBondContact O-N 3.39Å; L519-R523 WeakPolarHBondContact O-CB 3.37Å; L519-R523 PolarHBondContact O-N 3.49Å; L519-F565 HydrophobicContact CD1-CB 3.67Å; L519-F565 HydrophobicContact CD1-CD1 3.33Å; L519-F565 HydrophobicContact CD1-CE1 4.09Å; L519-F565 HydrophobicContact CD1-CG 3.61Å; L519-F565 HydrophobicContact CG-CB 4.35Å; L519-R568 HydrophobicContact CD1-CB 4.48Å; L519-R568 HydrophobicContact CD1-CG 4.47Å; L519-E569 HydrophobicContact CD2-CB 3.51Å; L519-E569 HydrophobicContact CD2-CG 4.02Å; L519-I572 HydrophobicContact CD2-CD1 4.25Å
520K96.9Very high94.4Very high125 Ų12550 Ų5054%0.54324%0.238SC..Hα-helixtrans-62.8-47.9175.9-176.4-170.5171-159.70110.7L516 E517 Q518 D522 R523 E524L516-K520 WeakPolarHBondContact O-CB 3.36Å; L516-K520 PolarHBondContact O-N 2.88Å; E517-K520 WeakPolarHBondContact O-CB 3.29Å; E517-K520 PolarHBondContact O-N 3.32Å; E517-K520 VanDerWaalsContact O-N 3.14Å; Q518-K520 VanDerWaalsContact C-N 3.33Å; Q518-K520 PolarHBondContact O-N 3.25Å; K520-D522 VanDerWaalsContact C-N 3.32Å; K520-D522 PolarHBondContact O-N 3.15Å; K520-R523 WeakPolarHBondContact O-CB 3.39Å; K520-R523 PolarHBondContact O-N 3.44Å; K520-E524 VanDerWaalsContact CE-OE1 3.3Å; K520-E524 WeakPolarHBondContact CE-OE1 3.31Å; K520-E524 IonicContact NZ-OE1 3.05Å; K520-E524 WeakPolarHBondContact O-CG 3.35Å; K520-E524 PolarHBondContact O-N 3.48Å
521D96.3Very high94.1Very high60 Ų6051 Ų5132%0.32125%0.25SC..Hα-helixtrans-65.8-37.6-179.5-64.6-19.7000111.7H163 E517 Q518 E524 K525H163-D521 VanDerWaalsContact CE1-CB 3.4Å; H163-D521 WeakPolarHBondContact CE1-CB 3.23Å; H163-D521 IonicContact CE1-OD2 2.84Å; H163-D521 VanDerWaalsContact ND1-CB 3.27Å; H163-D521 WeakPolarHBondContact ND1-CB 3.49Å; E517-D521 PolarHBondContact O-N 3.44Å; Q518-D521 PolarHBondContact O-N 3.43Å; D521-E524 PolarHBondContact O-N 2.86Å; D521-K525 WeakPolarHBondContact O-CG 3.44Å; D521-K525 PolarHBondContact O-N 3.47Å
522D96.6Very high93.3Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-65.5-40.9175.4-73.5-18.3000112.3F162 H163 S164 Q518 L519 K520 K525 I526 F565F162-D522 VanDerWaalsContact CA-OD1 3.28Å; F162-D522 WeakPolarHBondContact CA-OD1 3.3Å; F162-D522 HydrophobicContact CD1-CB 4.07Å; H163-D522 IonicContact CG-OD1 2.62Å; H163-D522 PolarHBondContact N-OD1 3.3Å; H163-D522 PolarHBondContact N-OD2 2.95Å; H163-D522 IonicContact ND1-OD1 3.2Å; H163-D522 PolarHBondContact ND1-OD1 3.2Å; S164-D522 VanDerWaalsContact CB-OD2 3.28Å; S164-D522 WeakPolarHBondContact CB-OD2 3.27Å; S164-D522 PolarHBondContact N-OD2 3.21Å; S164-D522 PolarHBondContact OG-OD2 3.14Å; Q518-D522 WeakPolarHBondContact O-CB 3.4Å; Q518-D522 PolarHBondContact O-N 2.78Å; L519-D522 PolarHBondContact O-N 3.39Å; K520-D522 VanDerWaalsContact C-N 3.32Å; K520-D522 PolarHBondContact O-N 3.15Å; D522-K525 PolarHBondContact O-N 3.08Å; D522-I526 WeakPolarHBondContact O-CG1 3.44Å; D522-I526 PolarHBondContact O-N 2.84Å; D522-F565 HydrophobicContact CB-CE1 4.37Å; D522-F565 HydrophobicContact CB-CE2 3.89Å; D522-F565 HydrophobicContact CB-CZ 3.7Å
523R96.6Very high92Very high56 Ų5655.7 Ų55.721%0.21128%0.28CS..Hα-helixtrans-60.9-45.6172.7-174.2-171.8-67.4-89.310.6111.1L519 K520 K525 I526 V527 L562 F565 D566 E569L519-R523 WeakPolarHBondContact O-CB 3.37Å; L519-R523 PolarHBondContact O-N 3.49Å; K520-R523 WeakPolarHBondContact O-CB 3.39Å; K520-R523 PolarHBondContact O-N 3.44Å; R523-K525 VanDerWaalsContact C-N 3.33Å; R523-K525 PolarHBondContact O-N 2.89Å; R523-I526 PolarHBondContact O-N 3.36Å; R523-V527 HydrophobicContact CG-CG2 4.47Å; R523-V527 WeakPolarHBondContact O-CG2 3.46Å; R523-V527 PolarHBondContact O-N 2.83Å; R523-L562 HydrophobicContact CG-CD2 3.76Å; R523-F565 HydrophobicContact CB-CD2 4.18Å; R523-D566 IonicContact CZ-OD1 3.45Å; R523-D566 IonicContact NH1-OD1 2.73Å; R523-D566 PolarHBondContact NH1-OD1 3.24Å; R523-D566 IonicContact NH2-OD1 3.21Å; R523-D566 PolarHBondContact NH2-OD1 3.36Å; R523-E569 IonicContact CZ-OE2 2.96Å; R523-E569 IonicContact NH2-OE2 3.99Å; R523-E569 PolarHBondContact NH2-OE2 2.74Å
524E95.3Very high90.7Very high111 Ų11156.4 Ų56.452%0.51928%0.284SS..Hα-helixtrans-60.2-41.7177.7-73.6-178.3-169.800111.8K520 D521 V527 H528K520-E524 VanDerWaalsContact CE-OE1 3.3Å; K520-E524 WeakPolarHBondContact CE-OE1 3.31Å; K520-E524 IonicContact NZ-OE1 3.05Å; K520-E524 WeakPolarHBondContact O-CG 3.35Å; K520-E524 PolarHBondContact O-N 3.48Å; D521-E524 PolarHBondContact O-N 2.86Å; E524-V527 PolarHBondContact O-N 2.78Å; E524-H528 WeakPolarHBondContact O-CB 3.34Å; E524-H528 PolarHBondContact O-N 3.5Å
525K92.2Very high89.1Confident59 Ų5954.9 Ų54.926%0.25728%0.276SS..Hα-helixtrans-59.4-45.7174.1-76175.2174.6171.10112.4Y161 H163 D521 D522 R523 H528 L529Y161-K525 WeakPolarHBondContact O-CD 3.49Å; Y161-K525 WeakPolarHBondContact O-CE 3.22Å; Y161-K525 PolarHBondContact O-NZ 3.24Å; H163-K525 WeakPolarHBondContact CE1-CE 3.3Å; H163-K525 PolarHBondContact CE1-NZ 2.96Å; H163-K525 PolarHBondContact ND1-NZ 2.99Å; H163-K525 VanDerWaalsContact ND1-NZ 3.15Å; H163-K525 PolarHBondContact NE2-NZ 3.18Å; D521-K525 WeakPolarHBondContact O-CG 3.44Å; D521-K525 PolarHBondContact O-N 3.47Å; D522-K525 PolarHBondContact O-N 3.08Å; R523-K525 VanDerWaalsContact C-N 3.33Å; R523-K525 PolarHBondContact O-N 2.89Å; K525-H528 PolarHBondContact O-N 2.79Å; K525-L529 WeakPolarHBondContact O-CB 3.47Å; K525-L529 PolarHBondContact O-N 2.95Å
526I93.7Very high87.2Confident0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-67.6-42.1178.7-66.7-63000111.8Y161 F162 D522 R523 H528 L529 M530 F557 C558 F561 L562 F565Y161-I526 HydrophobicContact CE1-CD1 4.22Å; F162-I526 HydrophobicContact CE1-CD1 3.87Å; F162-I526 HydrophobicContact CE1-CG1 4.09Å; F162-I526 HydrophobicContact CZ-CD1 4.12Å; D522-I526 WeakPolarHBondContact O-CG1 3.44Å; D522-I526 PolarHBondContact O-N 2.84Å; R523-I526 PolarHBondContact O-N 3.36Å; I526-H528 VanDerWaalsContact C-N 3.32Å; I526-H528 PolarHBondContact O-N 2.93Å; I526-L529 WeakPolarHBondContact O-CB 3.45Å; I526-L529 PolarHBondContact O-N 3.29Å; I526-M530 WeakPolarHBondContact O-CB 3.39Å; I526-M530 PolarHBondContact O-N 3.4Å; I526-F557 HydrophobicContact CD1-CD1 4.3Å; I526-F557 HydrophobicContact CD1-CE1 3.65Å; I526-C558 HydrophobicContact CG2-CB 3.73Å; I526-F561 HydrophobicContact CD1-CB 4.24Å; I526-F561 HydrophobicContact CG1-CB 4.21Å; I526-L562 HydrophobicContact CB-CD2 4.28Å; I526-L562 HydrophobicContact CG2-CD1 4.23Å; I526-L562 HydrophobicContact CG2-CD2 3.91Å; I526-L562 HydrophobicContact CG2-CG 3.69Å; I526-F565 HydrophobicContact CG1-CE2 3.79Å; I526-F565 HydrophobicContact CG1-CZ 4.49Å
527V93Very high85.1Confident55 Ų5564 Ų6433%0.33332%0.317SS..Hα-helixtrans-62.1-41.3175.7171.80000111R523 E524 L529 M530 N531 L562R523-V527 HydrophobicContact CG-CG2 4.47Å; R523-V527 WeakPolarHBondContact O-CG2 3.46Å; R523-V527 PolarHBondContact O-N 2.83Å; E524-V527 PolarHBondContact O-N 2.78Å; V527-L529 VanDerWaalsContact C-N 3.34Å; V527-M530 PolarHBondContact O-N 2.69Å; V527-N531 PolarHBondContact O-N 2.96Å; V527-N531 VanDerWaalsContact O-N 3.13Å; V527-N531 PolarHBondContact O-ND2 3.43Å; V527-L562 HydrophobicContact CG2-CD2 3.93Å
528H90.7Very high82.8Confident126 Ų12661.6 Ų61.658%0.58331%0.308SS*.Hα-helixtrans-63.1-40.9175-179.2-78.9000111.8E524 K525 I526 N531 N532E524-H528 WeakPolarHBondContact O-CB 3.34Å; E524-H528 PolarHBondContact O-N 3.5Å; K525-H528 PolarHBondContact O-N 2.79Å; I526-H528 VanDerWaalsContact C-N 3.32Å; I526-H528 PolarHBondContact O-N 2.93Å; H528-N531 PolarHBondContact O-N 3.45Å; H528-N532 PolarHBondContact O-N 2.99Å
529L89.2Confident80.2Confident3 Ų364.7 Ų64.72%0.01633%0.325CS..Hα-helixtrans-61.6-46.7175.8-178.263000111.9L149 K525 I526 V527 N531 N532 V554 F557L149-L529 HydrophobicContact CD2-CD2 3.71Å; K525-L529 WeakPolarHBondContact O-CB 3.47Å; K525-L529 PolarHBondContact O-N 2.95Å; I526-L529 WeakPolarHBondContact O-CB 3.45Å; I526-L529 PolarHBondContact O-N 3.29Å; V527-L529 VanDerWaalsContact C-N 3.34Å; L529-N531 VanDerWaalsContact C-N 3.26Å; L529-N531 PolarHBondContact O-N 3.09Å; L529-N532 WeakPolarHBondContact O-CB 3.35Å; L529-N532 PolarHBondContact O-N 2.95Å; L529-N532 VanDerWaalsContact O-N 3.12Å; L529-V554 HydrophobicContact CD1-CG1 4.4Å; L529-V554 HydrophobicContact CD2-CG1 4.44Å; L529-V554 HydrophobicContact CG-CG1 4.02Å; L529-F557 HydrophobicContact CD2-CD1 4.21Å; L529-F557 HydrophobicContact CD2-CE1 4.18Å
530M86.4Confident77.4Confident57 Ų5768.6 Ų68.628%0.28135%0.353SS..Hα-helixtrans-60.5-34.6178.7-169.917264.300112.7I526 V527 Q536 C558 L562I526-M530 WeakPolarHBondContact O-CB 3.39Å; I526-M530 PolarHBondContact O-N 3.4Å; V527-M530 PolarHBondContact O-N 2.69Å; M530-Q536 PolarHBondContact O-NE2 3.4Å; M530-C558 HydrophobicContact CB-CB 4Å; M530-C558 HydrophobicContact CG-CB 4.2Å; M530-C558 HydrophobicContact SD-CB 4.22Å; M530-L562 HydrophobicContact CE-CD1 4.1Å; M530-L562 HydrophobicContact SD-CD1 4.19Å
531N85.8Confident74.6Confident102 Ų10268 Ų6855%0.54536%0.359SS..THydrogen-bonded Turntrans-86.8-4179.2-70-40.7000114V527 H528 L529 P533V527-N531 PolarHBondContact O-N 2.96Å; V527-N531 VanDerWaalsContact O-N 3.13Å; V527-N531 PolarHBondContact O-ND2 3.43Å; H528-N531 PolarHBondContact O-N 3.45Å; L529-N531 VanDerWaalsContact C-N 3.26Å; L529-N531 PolarHBondContact O-N 3.09Å; N531-P533 WeakPolarHBondContact O-CD 3.41Å
532N79.5Confident72Confident24 Ų2472.7 Ų72.713%0.12838%0.384CS..  trans-74.5118.4-175.8-169.3-28000111.2R152 H528 L529 T534 C535 Q536R152-N532 PolarHBondContact NH2-ND2 3.13Å; H528-N532 PolarHBondContact O-N 2.99Å; L529-N532 WeakPolarHBondContact O-CB 3.35Å; L529-N532 PolarHBondContact O-N 2.95Å; L529-N532 VanDerWaalsContact O-N 3.12Å; N532-T534 PolarHBondContact ND2-OG1 3.05Å; N532-T534 PolarHBondContact O-N 3.09Å; N532-T534 VanDerWaalsContact O-N 3.15Å; N532-T534 PolarHBondContact OD1-N 3.41Å; N532-T534 PolarHBondContact OD1-OG1 2.77Å; N532-C535 PolarHBondContact O-N 2.69Å; N532-C535 VanDerWaalsContact O-N 3.07Å; N532-Q536 PolarHBondContact O-N 2.88Å
533P67.1Low69Low80 Ų8079.2 Ų79.252%0.51942%0.416SS..Hα-helixtrans-58.4-32.4-178.3-2332.7000113.5N531 C535 Q536 H537N531-P533 WeakPolarHBondContact O-CD 3.41Å; P533-C535 VanDerWaalsContact C-N 3.27Å; P533-C535 PolarHBondContact O-N 3.13Å; P533-Q536 PolarHBondContact O-N 3.37Å; P533-Q536 VanDerWaalsContact O-N 3.14Å; P533-H537 PolarHBondContact O-CD2 3.18Å; P533-H537 PolarHBondContact O-N 3.04Å
534T66.7Low65.9Low89 Ų8981.1 Ų81.155%0.54644%0.438SS..Hα-helixtrans-62.9-34.7179.556.80000112.3N532 H537N532-T534 PolarHBondContact ND2-OG1 3.05Å; N532-T534 PolarHBondContact O-N 3.09Å; N532-T534 VanDerWaalsContact O-N 3.15Å; N532-T534 PolarHBondContact OD1-N 3.41Å; N532-T534 PolarHBondContact OD1-OG1 2.77Å; T534-H537 PolarHBondContact O-N 3.23Å
535C62.7Low63.1Low4 Ų481.3 Ų81.33%0.02745%0.452CS..Hα-helixtrans-86.5-11.2179.3-510000112C148 N532 P533 V554C148-C535 HydrophobicContact CB-CB 4.15Å; C148-C535 WeakPolarHBondContact CB-SG 3.35Å; C148-C535 WeakPolarHBondContact SG-CB 3.07Å; C148-C535 CovalentContact SG-SG 2.08Å; C148-C535 PolarHBondContact SG-SG 2.96Å; N532-C535 PolarHBondContact O-N 2.69Å; N532-C535 VanDerWaalsContact O-N 3.07Å; P533-C535 VanDerWaalsContact C-N 3.27Å; P533-C535 PolarHBondContact O-N 3.13Å; C535-V554 HydrophobicContact CB-CB 4.37Å; C535-V554 HydrophobicContact CB-CG1 3.91Å; C535-V554 HydrophobicContact CB-CG2 4.1Å
536Q57Low60.1Low112 Ų11283.2 Ų83.252%0.52348%0.478SS..Hα-helixtrans-82.3-19.1169.2-64-178.3-6.600112.9M530 N532 P533M530-Q536 PolarHBondContact O-NE2 3.4Å; N532-Q536 PolarHBondContact O-N 2.88Å; P533-Q536 PolarHBondContact O-N 3.37Å; P533-Q536 VanDerWaalsContact O-N 3.14Å
537H51.2Low57.3Low138 Ų13886.6 Ų86.664%0.63950%0.502SS*.G310 helixtrans-81.6-13.8-172.9-89.9-61.5000115.8P533 T534 L539P533-H537 PolarHBondContact O-CD2 3.18Å; P533-H537 PolarHBondContact O-N 3.04Å; T534-H537 PolarHBondContact O-N 3.23Å; H537-L539 PolarHBondContact O-N 3.49Å; H537-L539 VanDerWaalsContact O-N 3.14Å
538N48.7Very low54.4Low61 Ų6188.3 Ų88.333%0.32651%0.509SS..G310 helixtrans-73.51.8177.8-82.2-5000114.7D145 S540D145-N538 PolarHBondContact OD1-ND2 2.99Å; N538-S540 PolarHBondContact O-N 3.13Å; N538-S540 VanDerWaalsContact O-N 3.13Å
539L42.9Very low52.2Low92 Ų9287.7 Ų87.748%0.48251%0.514SS..G310 helixtrans-65.4-12.7176.3-129.185.1000114.6H537 C552H537-L539 PolarHBondContact O-N 3.49Å; H537-L539 VanDerWaalsContact O-N 3.14Å; L539-C552 HydrophobicContact CD1-CB 3.86Å
540S36.1Very low50.3Low87 Ų8790.9 Ų90.961%0.60854%0.536SS*.G310 helixtrans-103.8-16.2-167.164.50000115.7N538N538-S540 PolarHBondContact O-N 3.13Å; N538-S540 VanDerWaalsContact O-N 3.13Å
541T39.8Very low49.1Very low111 Ų11191.9 Ų91.968%0.68154%0.542SS*.SBendtrans-102.8-11.7-167.9-30.50000114.4M543T541-M543 VanDerWaalsContact C-N 3.33Å
542L41Very low48.8Very low160 Ų16088.6 Ų88.684%0.83853%0.527SS*.SBendtrans-89.28.1170-107.889.6000114S544L542-S544 PolarHBondContact O-N 3.49Å
543M33Very low49.1Very low136 Ų13689 Ų8967%0.6753%0.528SS*.  trans-74.813.2-175.6-74.7-80.4164.500114.8T541T541-M543 VanDerWaalsContact C-N 3.33Å
544S32.1Very low50.1Low96 Ų9685.3 Ų85.367%0.67151%0.505SS*.SBendtrans-112.5118.8175.273.10000111.3L542L542-S544 PolarHBondContact O-N 3.49Å
545S36.1Very low51.1Low116 Ų11683.6 Ų83.681%0.81149%0.492SS*.SBendtrans76.485.2178.969.90000117.3
546A30.2Very low52.3Low98 Ų9885.1 Ų85.181%0.8150%0.499SS*.  trans46.582141.300000118.5
547S34.3Very low54Low71 Ų7180 Ų8050%0.49748%0.475SS..  -161.5148.511358.50000116.4Y4 T549Y4-S547 WeakPolarHBondContact OH-CA 3.26Å; Y4-S547 WeakPolarHBondContact OH-CB 3.43Å; S547-T549 PolarHBondContact O-N 3.42Å
548L32.8Very low56Low91 Ų9173.4 Ų73.448%0.47644%0.444SS..SBendtrans-65.799.2177.5-95.987.6000110.3M1 Y4M1-L548 HydrophobicContact CG-CD2 4.3Å; M1-L548 VanDerWaalsContact N-CD2 3.29Å; Y4-L548 HydrophobicContact CD1-CB 4.22Å; Y4-L548 HydrophobicContact CD2-CB 3.76Å; Y4-L548 HydrophobicContact CD2-CD1 3.59Å; Y4-L548 HydrophobicContact CD2-CD2 4.08Å; Y4-L548 HydrophobicContact CD2-CG 3.99Å; Y4-L548 HydrophobicContact CE1-CB 3.95Å; Y4-L548 HydrophobicContact CE2-CB 3.52Å; Y4-L548 HydrophobicContact CE2-CD1 3.1Å; Y4-L548 HydrophobicContact CE2-CD2 4.36Å; Y4-L548 HydrophobicContact CE2-CG 3.77Å; Y4-L548 HydrophobicContact CG-CB 4.15Å; Y4-L548 PolarHBondContact OH-N 2.71Å
549T43.3Very low58.1Low114 Ų11475.5 Ų75.570%0.69945%0.451SS*.  trans156.790.9135.144.80000106.8S547 I551S547-T549 PolarHBondContact O-N 3.42Å; T549-I551 PolarHBondContact O-N 3.16Å
550S49.7Very low60.5Low69 Ų6973.3 Ų73.348%0.48344%0.438SS..  trans-7379.8170.1650000108.8C552S550-C552 PolarHBondContact O-N 3Å
551I61.8Low63.4Low78 Ų7869.1 Ų69.140%0.441%0.409SS..  trans-63.3122.3170.1-63.9171.7000106.2L136 T549 L553 Q556L136-I551 HydrophobicContact CD1-CD1 4.01Å; T549-I551 PolarHBondContact O-N 3.16Å; I551-L553 PolarHBondContact O-N 3.36Å; I551-L553 VanDerWaalsContact O-N 3.11Å; I551-Q556 HydrophobicContact CG2-CB 3.85Å; I551-Q556 HydrophobicContact CG2-CG 4.35Å
552C78.8Confident66.1Low33 Ų3365.2 Ų65.222%0.22338%0.384CS..  trans-67.4109.5169.4175.80000107.2L539 S550 V554 D555 Q556L539-C552 HydrophobicContact CD1-CB 3.86Å; S550-C552 PolarHBondContact O-N 3Å; C552-V554 PolarHBondContact O-N 3.15Å; C552-D555 HydrophobicContact CB-CB 3.74Å; C552-D555 WeakPolarHBondContact O-CB 3.36Å; C552-D555 PolarHBondContact O-N 3.02Å; C552-D555 VanDerWaalsContact O-N 3.12Å; C552-D555 PolarHBondContact SG-N 3.06Å; C552-Q556 PolarHBondContact O-N 3.47Å
553L85.9Confident68.7Low32 Ų3261.6 Ų61.617%0.16836%0.359CS..Hα-helixtrans-59.7-34.3-177.3-67.1171.6000111.8L136 L144 D145 I551 Q556 F557L136-L553 HydrophobicContact CD2-CD2 4.06Å; L144-L553 HydrophobicContact CB-CD1 3.4Å; L144-L553 VanDerWaalsContact CB-CD1 3.4Å; D145-L553 HydrophobicContact CB-CB 4.06Å; D145-L553 HydrophobicContact CB-CD1 4.06Å; I551-L553 PolarHBondContact O-N 3.36Å; I551-L553 VanDerWaalsContact O-N 3.11Å; L553-Q556 PolarHBondContact O-N 3.08Å; L553-F557 WeakPolarHBondContact O-CB 3.41Å; L553-F557 PolarHBondContact O-N 3.33Å
554V87Confident71.8Confident4 Ų455.1 Ų55.12%0.02433%0.327CS..Hα-helixtrans-65.5-45.9174.6-178.60000111.6D145 L149 L529 C535 C552 Q556 F557 C558D145-V554 WeakPolarHBondContact OD2-CG2 3.01Å; L149-V554 HydrophobicContact CD1-CG2 4.32Å; L149-V554 HydrophobicContact CD2-CG2 4.4Å; L149-V554 HydrophobicContact CG-CG2 4.12Å; L529-V554 HydrophobicContact CD1-CG1 4.4Å; L529-V554 HydrophobicContact CD2-CG1 4.44Å; L529-V554 HydrophobicContact CG-CG1 4.02Å; C535-V554 HydrophobicContact CB-CB 4.37Å; C535-V554 HydrophobicContact CB-CG1 3.91Å; C535-V554 HydrophobicContact CB-CG2 4.1Å; C552-V554 PolarHBondContact O-N 3.15Å; V554-Q556 VanDerWaalsContact C-N 3.34Å; V554-F557 PolarHBondContact O-N 3.33Å; V554-C558 WeakPolarHBondContact O-CB 3.17Å; V554-C558 PolarHBondContact O-N 2.86Å; V554-C558 PolarHBondContact O-SG 3.3Å
555D87.9Confident74.9Confident53 Ų5350.5 Ų50.528%0.28330%0.295SS..Hα-helixtrans-62.1-43.3176.6176.366.1000111.1C552 C558 K559C552-D555 HydrophobicContact CB-CB 3.74Å; C552-D555 WeakPolarHBondContact O-CB 3.36Å; C552-D555 PolarHBondContact O-N 3.02Å; C552-D555 VanDerWaalsContact O-N 3.12Å; C552-D555 PolarHBondContact SG-N 3.06Å; D555-C558 PolarHBondContact O-N 3.12Å; D555-K559 WeakPolarHBondContact O-CB 3.39Å; D555-K559 WeakPolarHBondContact O-CG 2.92Å; D555-K559 PolarHBondContact O-N 2.89Å; D555-K559 WeakPolarHBondContact OD1-CE 3.24Å; D555-K559 IonicContact OD1-NZ 3.44Å; D555-K559 PolarHBondContact OD1-NZ 2.94Å; D555-K559 WeakPolarHBondContact OD2-CE 3.36Å; D555-K559 IonicContact OD2-NZ 3.61Å; D555-K559 PolarHBondContact OD2-NZ 2.62Å
556Q88.5Confident77.8Confident36 Ų3648.1 Ų48.117%0.16827%0.273CS..Hα-helixtrans-62-50.5175.8-176.359.728.400111.4L136 I551 C552 L553 V554 C558 K559 E560L136-Q556 HydrophobicContact CB-CG 4.09Å; L136-Q556 HydrophobicContact CD1-CG 4.13Å; L136-Q556 HydrophobicContact CD2-CG 4.39Å; L136-Q556 HydrophobicContact CG-CG 4.43Å; I551-Q556 HydrophobicContact CG2-CB 3.85Å; I551-Q556 HydrophobicContact CG2-CG 4.35Å; C552-Q556 PolarHBondContact O-N 3.47Å; L553-Q556 PolarHBondContact O-N 3.08Å; V554-Q556 VanDerWaalsContact C-N 3.34Å; Q556-C558 VanDerWaalsContact C-N 3.3Å; Q556-C558 PolarHBondContact O-N 3.12Å; Q556-K559 PolarHBondContact O-N 3.32Å; Q556-E560 VanDerWaalsContact NE2-CG 3.34Å; Q556-E560 PolarHBondContact NE2-OE1 2.79Å; Q556-E560 WeakPolarHBondContact O-CG 3.47Å; Q556-E560 PolarHBondContact O-N 3.1Å
557F92.3Very high80.9Confident3 Ų344.6 Ų44.61%0.01324%0.24CC..Hα-helixtrans-53.6-47.4175.2177.3-89.4000111.5P138 C141 I142 L149 I153 F162 I526 L529 L553 V554 F561P138-F557 HydrophobicContact CB-CD2 4.39Å; P138-F557 HydrophobicContact CB-CE2 4.15Å; C141-F557 HydrophobicContact CB-CB 4.02Å; C141-F557 HydrophobicContact CB-CD2 4.12Å; I142-F557 HydrophobicContact CD1-CE2 3.84Å; I142-F557 HydrophobicContact CG1-CD2 4.18Å; I142-F557 HydrophobicContact CG1-CE2 3.72Å; L149-F557 HydrophobicContact CD1-CB 4.06Å; L149-F557 HydrophobicContact CD1-CD2 4.23Å; L149-F557 HydrophobicContact CD1-CG 4.04Å; L149-F557 HydrophobicContact CD2-CD1 3.98Å; L149-F557 HydrophobicContact CD2-CE1 4.23Å; L149-F557 HydrophobicContact CD2-CG 4.29Å; I153-F557 HydrophobicContact CD1-CE1 4.16Å; I153-F557 HydrophobicContact CD1-CE2 4.03Å; I153-F557 HydrophobicContact CD1-CZ 3.51Å; F162-F557 HydrophobicContact CZ-CZ 4.16Å; I526-F557 HydrophobicContact CD1-CD1 4.3Å; I526-F557 HydrophobicContact CD1-CE1 3.65Å; L529-F557 HydrophobicContact CD2-CD1 4.21Å; L529-F557 HydrophobicContact CD2-CE1 4.18Å; L553-F557 WeakPolarHBondContact O-CB 3.41Å; L553-F557 PolarHBondContact O-N 3.33Å; V554-F557 PolarHBondContact O-N 3.33Å; F557-F561 HydrophobicContact CD1-CD2 4.15Å; F557-F561 HydrophobicContact CD2-CD2 4.04Å; F557-F561 AromaticContact CD2-CE2 3.89Å; F557-F561 HydrophobicContact CD2-CE2 3.89Å; F557-F561 AromaticContact CE1-CD2 3.83Å; F557-F561 HydrophobicContact CE1-CD2 3.83Å; F557-F561 HydrophobicContact CE1-CE2 4.12Å; F557-F561 AromaticContact CE2-CD2 3.73Å; F557-F561 HydrophobicContact CE2-CD2 3.73Å; F557-F561 AromaticContact CE2-CE2 3.28Å; F557-F561 HydrophobicContact CE2-CE2 3.28Å; F557-F561 HydrophobicContact CE2-CZ 4.32Å; F557-F561 HydrophobicContact CG-CD2 4.24Å; F557-F561 AromaticContact CZ-CD2 3.6Å; F557-F561 HydrophobicContact CZ-CD2 3.6Å; F557-F561 AromaticContact CZ-CE2 3.39Å; F557-F561 HydrophobicContact CZ-CE2 3.39Å; F557-F561 HydrophobicContact CZ-CZ 4.31Å; F557-F561 WeakPolarHBondContact O-CD2 3.44Å; F557-F561 PolarHBondContact O-N 3.18Å; F557-F561 VanDerWaalsContact O-N 3.13Å
558C93.7Very high83.8Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-64.4-44.8-179.5-67.90000112I526 M530 V554 D555 Q556 F561 L562I526-C558 HydrophobicContact CG2-CB 3.73Å; M530-C558 HydrophobicContact CB-CB 4Å; M530-C558 HydrophobicContact CG-CB 4.2Å; M530-C558 HydrophobicContact SD-CB 4.22Å; V554-C558 WeakPolarHBondContact O-CB 3.17Å; V554-C558 PolarHBondContact O-N 2.86Å; V554-C558 PolarHBondContact O-SG 3.3Å; D555-C558 PolarHBondContact O-N 3.12Å; Q556-C558 VanDerWaalsContact C-N 3.3Å; Q556-C558 PolarHBondContact O-N 3.12Å; C558-F561 PolarHBondContact O-N 2.72Å; C558-L562 WeakPolarHBondContact O-CB 3.33Å; C558-L562 VanDerWaalsContact O-CG 3.22Å; C558-L562 WeakPolarHBondContact O-CG 3.44Å; C558-L562 PolarHBondContact O-N 2.98Å
559K92.7Very high86.8Confident105 Ų10539.5 Ų39.546%0.45721%0.206SC..Hα-helixtrans-62-45.8179.9-77.9170.8176.8165.90112.7D555 Q556 L562 Y563D555-K559 WeakPolarHBondContact O-CB 3.39Å; D555-K559 WeakPolarHBondContact O-CG 2.92Å; D555-K559 PolarHBondContact O-N 2.89Å; D555-K559 WeakPolarHBondContact OD1-CE 3.24Å; D555-K559 IonicContact OD1-NZ 3.44Å; D555-K559 PolarHBondContact OD1-NZ 2.94Å; D555-K559 WeakPolarHBondContact OD2-CE 3.36Å; D555-K559 IonicContact OD2-NZ 3.61Å; D555-K559 PolarHBondContact OD2-NZ 2.62Å; Q556-K559 PolarHBondContact O-N 3.32Å; K559-L562 PolarHBondContact O-N 3.25Å; K559-Y563 WeakPolarHBondContact O-CB 3.4Å; K559-Y563 PolarHBondContact O-N 3.14Å
560E94Very high89.3Confident46 Ų4636.9 Ų36.922%0.21519%0.192CC..Hα-helixtrans-65.2-43.1179.6-62.6-56.6148.200111.2L325 I331 Q556 Y563 Y564L325-E560 HydrophobicContact CD1-CB 3.94Å; I331-E560 HydrophobicContact CD1-CB 4.5Å; I331-E560 WeakPolarHBondContact CD1-O 3.3Å; Q556-E560 VanDerWaalsContact NE2-CG 3.34Å; Q556-E560 PolarHBondContact NE2-OE1 2.79Å; Q556-E560 WeakPolarHBondContact O-CG 3.47Å; Q556-E560 PolarHBondContact O-N 3.1Å; E560-Y563 PolarHBondContact O-N 3.07Å; E560-Y564 WeakPolarHBondContact O-CB 3.44Å; E560-Y564 PolarHBondContact O-N 3.11Å
561F96Very high91.4Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-66.7-39.3175.9-91.2-76.2000113.5P138 F162 I167 L171 L325 I526 F557 C558 Y563 Y564 F565P138-F561 HydrophobicContact CB-CE2 3.76Å; P138-F561 HydrophobicContact CB-CZ 4.12Å; P138-F561 HydrophobicContact CG-CE2 3.68Å; P138-F561 HydrophobicContact CG-CZ 4Å; F162-F561 HydrophobicContact CE1-CD1 4.23Å; F162-F561 HydrophobicContact CE1-CE1 4.34Å; F162-F561 HydrophobicContact CE2-CE1 4.23Å; F162-F561 HydrophobicContact CE2-CZ 4.2Å; F162-F561 HydrophobicContact CZ-CD1 4.01Å; F162-F561 HydrophobicContact CZ-CD2 4.47Å; F162-F561 AromaticContact CZ-CE1 3.8Å; F162-F561 HydrophobicContact CZ-CE1 3.8Å; F162-F561 HydrophobicContact CZ-CE2 4.28Å; F162-F561 HydrophobicContact CZ-CG 4.34Å; F162-F561 AromaticContact CZ-CZ 3.94Å; F162-F561 HydrophobicContact CZ-CZ 3.94Å; I167-F561 HydrophobicContact CG2-CE1 3.86Å; I167-F561 HydrophobicContact CG2-CZ 4.34Å; L171-F561 HydrophobicContact CD1-CZ 4.36Å; L325-F561 HydrophobicContact CD2-CD1 4.37Å; L325-F561 HydrophobicContact CD2-CE1 4.18Å; L325-F561 HydrophobicContact CD2-CZ 4.33Å; I526-F561 HydrophobicContact CD1-CB 4.24Å; I526-F561 HydrophobicContact CG1-CB 4.21Å; F557-F561 HydrophobicContact CD1-CD2 4.15Å; F557-F561 HydrophobicContact CD2-CD2 4.04Å; F557-F561 AromaticContact CD2-CE2 3.89Å; F557-F561 HydrophobicContact CD2-CE2 3.89Å; F557-F561 AromaticContact CE1-CD2 3.83Å; F557-F561 HydrophobicContact CE1-CD2 3.83Å; F557-F561 HydrophobicContact CE1-CE2 4.12Å; F557-F561 AromaticContact CE2-CD2 3.73Å; F557-F561 HydrophobicContact CE2-CD2 3.73Å; F557-F561 AromaticContact CE2-CE2 3.28Å; F557-F561 HydrophobicContact CE2-CE2 3.28Å; F557-F561 HydrophobicContact CE2-CZ 4.32Å; F557-F561 HydrophobicContact CG-CD2 4.24Å; F557-F561 AromaticContact CZ-CD2 3.6Å; F557-F561 HydrophobicContact CZ-CD2 3.6Å; F557-F561 AromaticContact CZ-CE2 3.39Å; F557-F561 HydrophobicContact CZ-CE2 3.39Å; F557-F561 HydrophobicContact CZ-CZ 4.31Å; F557-F561 WeakPolarHBondContact O-CD2 3.44Å; F557-F561 PolarHBondContact O-N 3.18Å; F557-F561 VanDerWaalsContact O-N 3.13Å; C558-F561 PolarHBondContact O-N 2.72Å; F561-Y563 VanDerWaalsContact C-N 3.33Å; F561-Y563 PolarHBondContact O-N 3.23Å; F561-Y564 HydrophobicContact CD1-CD1 4.34Å; F561-Y564 WeakPolarHBondContact O-CB 3.21Å; F561-Y564 PolarHBondContact O-N 3.26Å; F561-F565 HydrophobicContact CB-CE2 4.32Å; F561-F565 HydrophobicContact CB-CZ 4.44Å; F561-F565 HydrophobicContact CD1-CE1 4.04Å; F561-F565 AromaticContact CD1-CZ 3.83Å; F561-F565 HydrophobicContact CD1-CZ 3.83Å; F561-F565 WeakPolarHBondContact O-CB 3.38Å; F561-F565 VanDerWaalsContact O-CD2 3.27Å; F561-F565 WeakPolarHBondContact O-CD2 3.36Å; F561-F565 WeakPolarHBondContact O-CG 3.37Å; F561-F565 PolarHBondContact O-N 3.36Å
562L96.8Very high92.9Very high29 Ų2929.9 Ų29.915%0.15215%0.15CC..Hα-helixtrans-62.2-43.1175.3-72.5172.2000111.3R523 I526 V527 M530 C558 K559 F565 D566R523-L562 HydrophobicContact CG-CD2 3.76Å; I526-L562 HydrophobicContact CB-CD2 4.28Å; I526-L562 HydrophobicContact CG2-CD1 4.23Å; I526-L562 HydrophobicContact CG2-CD2 3.91Å; I526-L562 HydrophobicContact CG2-CG 3.69Å; V527-L562 HydrophobicContact CG2-CD2 3.93Å; M530-L562 HydrophobicContact CE-CD1 4.1Å; M530-L562 HydrophobicContact SD-CD1 4.19Å; C558-L562 WeakPolarHBondContact O-CB 3.33Å; C558-L562 VanDerWaalsContact O-CG 3.22Å; C558-L562 WeakPolarHBondContact O-CG 3.44Å; C558-L562 PolarHBondContact O-N 2.98Å; K559-L562 PolarHBondContact O-N 3.25Å; L562-F565 PolarHBondContact O-N 3.05Å; L562-D566 PolarHBondContact O-N 2.85Å
563Y96.1Very high93.6Very high83 Ų8333 Ų3333%0.32516%0.16SC..Hα-helixtrans-65.3-41.2176.4-176.3-119.8000112I331 K559 E560 F561 F565 D566 Q567I331-Y563 HydrophobicContact CB-CD1 3.83Å; I331-Y563 HydrophobicContact CB-CE1 3.84Å; I331-Y563 HydrophobicContact CD1-CD1 3.8Å; I331-Y563 HydrophobicContact CG1-CD1 4.47Å; I331-Y563 HydrophobicContact CG2-CD1 3.88Å; I331-Y563 HydrophobicContact CG2-CE1 3.74Å; K559-Y563 WeakPolarHBondContact O-CB 3.4Å; K559-Y563 PolarHBondContact O-N 3.14Å; E560-Y563 PolarHBondContact O-N 3.07Å; F561-Y563 VanDerWaalsContact C-N 3.33Å; F561-Y563 PolarHBondContact O-N 3.23Å; Y563-F565 VanDerWaalsContact C-N 3.32Å; Y563-F565 PolarHBondContact O-N 3.32Å; Y563-D566 WeakPolarHBondContact O-CB 3.4Å; Y563-D566 PolarHBondContact O-N 2.93Å; Y563-Q567 HydrophobicContact CE1-CG 4.36Å; Y563-Q567 HydrophobicContact CE2-CG 4.39Å; Y563-Q567 WeakPolarHBondContact O-CG 3.38Å; Y563-Q567 PolarHBondContact O-N 3.37Å; Y563-Q567 VanDerWaalsContact O-N 3.14Å
564Y97.1Very high93.8Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-58-45.1172.9173.5-110.9000111.6I167 N321 L322 L325 I331 E560 F561 D566 Q567 R568I167-Y564 HydrophobicContact CD1-CE1 3.86Å; I167-Y564 HydrophobicContact CG1-CE1 4.45Å; N321-Y564 HydrophobicContact CB-CD2 3.98Å; N321-Y564 HydrophobicContact CB-CE2 3.8Å; L322-Y564 HydrophobicContact CB-CE2 4.26Å; L322-Y564 WeakPolarHBondContact CB-OH 3.28Å; L322-Y564 HydrophobicContact CD1-CE1 4.33Å; L325-Y564 HydrophobicContact CD2-CD1 4.36Å; L325-Y564 HydrophobicContact CD2-CD2 4.3Å; L325-Y564 HydrophobicContact CD2-CG 3.93Å; I331-Y564 HydrophobicContact CG1-CD2 4.48Å; E560-Y564 WeakPolarHBondContact O-CB 3.44Å; E560-Y564 PolarHBondContact O-N 3.11Å; F561-Y564 HydrophobicContact CD1-CD1 4.34Å; F561-Y564 WeakPolarHBondContact O-CB 3.21Å; F561-Y564 PolarHBondContact O-N 3.26Å; Y564-D566 VanDerWaalsContact C-N 3.33Å; Y564-D566 PolarHBondContact O-N 3.39Å; Y564-Q567 PolarHBondContact O-N 3.42Å; Y564-R568 WeakPolarHBondContact O-CB 3.35Å; Y564-R568 PolarHBondContact O-N 3.37Å; Y564-R568 WeakPolarHBondContact OH-CD 3.48Å; Y564-R568 PolarHBondContact OH-NH1 3.09Å
565F97.7Very high93.9Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-64.2-36.5177.9-64.5-25000112.7F162 I167 L519 D522 R523 I526 F561 L562 Y563 R568 E569F162-F565 HydrophobicContact CD1-CZ 4.03Å; F162-F565 HydrophobicContact CE1-CE2 4.46Å; F162-F565 AromaticContact CE1-CZ 3.81Å; F162-F565 HydrophobicContact CE1-CZ 3.81Å; I167-F565 HydrophobicContact CD1-CE1 3.66Å; I167-F565 HydrophobicContact CD1-CZ 4.35Å; L519-F565 HydrophobicContact CD1-CB 3.67Å; L519-F565 HydrophobicContact CD1-CD1 3.33Å; L519-F565 HydrophobicContact CD1-CE1 4.09Å; L519-F565 HydrophobicContact CD1-CG 3.61Å; L519-F565 HydrophobicContact CG-CB 4.35Å; D522-F565 HydrophobicContact CB-CE1 4.37Å; D522-F565 HydrophobicContact CB-CE2 3.89Å; D522-F565 HydrophobicContact CB-CZ 3.7Å; R523-F565 HydrophobicContact CB-CD2 4.18Å; I526-F565 HydrophobicContact CG1-CE2 3.79Å; I526-F565 HydrophobicContact CG1-CZ 4.49Å; F561-F565 HydrophobicContact CB-CE2 4.32Å; F561-F565 HydrophobicContact CB-CZ 4.44Å; F561-F565 HydrophobicContact CD1-CE1 4.04Å; F561-F565 AromaticContact CD1-CZ 3.83Å; F561-F565 HydrophobicContact CD1-CZ 3.83Å; F561-F565 WeakPolarHBondContact O-CB 3.38Å; F561-F565 VanDerWaalsContact O-CD2 3.27Å; F561-F565 WeakPolarHBondContact O-CD2 3.36Å; F561-F565 WeakPolarHBondContact O-CG 3.37Å; F561-F565 PolarHBondContact O-N 3.36Å; L562-F565 PolarHBondContact O-N 3.05Å; Y563-F565 VanDerWaalsContact C-N 3.32Å; Y563-F565 PolarHBondContact O-N 3.32Å; F565-R568 PolarHBondContact O-N 3.07Å; F565-E569 VanDerWaalsContact O-CB 3.28Å; F565-E569 WeakPolarHBondContact O-CB 3.47Å; F565-E569 PolarHBondContact O-N 3.44Å
566D96.5Very high93.7Very high65 Ų6531 Ų3135%0.34815%0.151SC..Hα-helixtrans-59.9-46.4172.2-66.4-23.4000111.7R523 L562 Y563 Y564 E569 C570R523-D566 IonicContact CZ-OD1 3.45Å; R523-D566 IonicContact NH1-OD1 2.73Å; R523-D566 PolarHBondContact NH1-OD1 3.24Å; R523-D566 IonicContact NH2-OD1 3.21Å; R523-D566 PolarHBondContact NH2-OD1 3.36Å; L562-D566 PolarHBondContact O-N 2.85Å; Y563-D566 WeakPolarHBondContact O-CB 3.4Å; Y563-D566 PolarHBondContact O-N 2.93Å; Y564-D566 VanDerWaalsContact C-N 3.33Å; Y564-D566 PolarHBondContact O-N 3.39Å; D566-E569 PolarHBondContact O-N 3.13Å; D566-C570 PolarHBondContact O-N 3.31Å; D566-C570 VanDerWaalsContact O-N 3.16Å; D566-C570 PolarHBondContact O-SG 3.15Å
567Q96Very high93.4Very high24 Ų2433.6 Ų33.611%0.11217%0.165CC..Hα-helixtrans-67.3-41.9179.9-57.1-37.9-65.500111.7I331 F334 Y563 Y564 E569 C570 F571I331-Q567 HydrophobicContact CG2-CB 4.43Å; I331-Q567 HydrophobicContact CG2-CG 3.81Å; F334-Q567 HydrophobicContact CB-CB 4.23Å; Y563-Q567 HydrophobicContact CE1-CG 4.36Å; Y563-Q567 HydrophobicContact CE2-CG 4.39Å; Y563-Q567 WeakPolarHBondContact O-CG 3.38Å; Y563-Q567 PolarHBondContact O-N 3.37Å; Y563-Q567 VanDerWaalsContact O-N 3.14Å; Y564-Q567 PolarHBondContact O-N 3.42Å; Q567-E569 VanDerWaalsContact C-N 3.34Å; Q567-E569 PolarHBondContact O-N 2.77Å; Q567-C570 WeakPolarHBondContact O-CB 3.49Å; Q567-C570 PolarHBondContact O-N 3.28Å; Q567-F571 PolarHBondContact O-N 3.43Å
568R95.9Very high92.6Very high2 Ų235.9 Ų35.91%0.00818%0.177CC..Hα-helixtrans-65-36.8177.2-172.5170.9177.2145.6-5.5111.9D166 I343 L519 Y564 F565 F571 I572D166-R568 IonicContact OD1-CZ 3.15Å; D166-R568 IonicContact OD1-NH1 2.71Å; D166-R568 PolarHBondContact OD1-NH1 3.42Å; D166-R568 IonicContact OD1-NH2 3.34Å; D166-R568 PolarHBondContact OD1-NH2 2.99Å; D166-R568 IonicContact OD2-CZ 3.81Å; D166-R568 VanDerWaalsContact OD2-CZ 3.27Å; D166-R568 IonicContact OD2-NH1 3.98Å; D166-R568 PolarHBondContact OD2-NH1 3.46Å; D166-R568 IonicContact OD2-NH2 3.31Å; D166-R568 PolarHBondContact OD2-NH2 3.05Å; I343-R568 HydrophobicContact CD1-CG 4.29Å; L519-R568 HydrophobicContact CD1-CB 4.48Å; L519-R568 HydrophobicContact CD1-CG 4.47Å; Y564-R568 WeakPolarHBondContact O-CB 3.35Å; Y564-R568 PolarHBondContact O-N 3.37Å; Y564-R568 WeakPolarHBondContact OH-CD 3.48Å; Y564-R568 PolarHBondContact OH-NH1 3.09Å; F565-R568 PolarHBondContact O-N 3.07Å; R568-F571 WeakPolarHBondContact O-CB 3.35Å; R568-F571 PolarHBondContact O-N 3.17Å; R568-I572 HydrophobicContact CG-CD1 4Å; R568-I572 VanDerWaalsContact O-CG1 3.31Å; R568-I572 WeakPolarHBondContact O-CG1 3.11Å; R568-I572 PolarHBondContact O-N 3.08Å
569E96.2Very high91.6Very high53 Ų5336.2 Ų36.225%0.24818%0.179CC..Hα-helixtrans-63-46.1175-167176.1158.300111.5L516 L519 R523 F565 D566 Q567 F571 I572 K573L516-E569 HydrophobicContact CD2-CG 4.17Å; L519-E569 HydrophobicContact CD2-CB 3.51Å; L519-E569 HydrophobicContact CD2-CG 4.02Å; R523-E569 IonicContact CZ-OE2 2.96Å; R523-E569 IonicContact NH2-OE2 3.99Å; R523-E569 PolarHBondContact NH2-OE2 2.74Å; F565-E569 VanDerWaalsContact O-CB 3.28Å; F565-E569 WeakPolarHBondContact O-CB 3.47Å; F565-E569 PolarHBondContact O-N 3.44Å; D566-E569 PolarHBondContact O-N 3.13Å; Q567-E569 VanDerWaalsContact C-N 3.34Å; Q567-E569 PolarHBondContact O-N 2.77Å; E569-F571 VanDerWaalsContact C-N 3.31Å; E569-F571 PolarHBondContact O-N 2.83Å; E569-I572 PolarHBondContact O-N 3.28Å; E569-K573 HydrophobicContact CG-CD 4.3Å; E569-K573 WeakPolarHBondContact O-CB 3.47Å; E569-K573 WeakPolarHBondContact O-CG 3.38Å; E569-K573 PolarHBondContact O-N 2.77Å; E569-K573 VanDerWaalsContact OE1-CE 3.22Å; E569-K573 WeakPolarHBondContact OE1-CE 3.44Å; E569-K573 IonicContact OE1-NZ 2.73Å; E569-K573 PolarHBondContact OE1-NZ 3.04Å
570C94.7Very high90.5Very high60 Ų6036.7 Ų36.741%0.40518%0.184SC..Hα-helixtrans-56.6-47.4174.6-71.40000110.9F334 D566 Q567 K573 S574F334-C570 HydrophobicContact CB-CB 4.29Å; F334-C570 HydrophobicContact CD1-CB 3.45Å; F334-C570 VanDerWaalsContact CD1-CB 3.45Å; F334-C570 HydrophobicContact CE1-CB 4.01Å; F334-C570 HydrophobicContact CG-CB 4.02Å; D566-C570 PolarHBondContact O-N 3.31Å; D566-C570 VanDerWaalsContact O-N 3.16Å; D566-C570 PolarHBondContact O-SG 3.15Å; Q567-C570 WeakPolarHBondContact O-CB 3.49Å; Q567-C570 PolarHBondContact O-N 3.28Å; C570-K573 PolarHBondContact O-N 3.33Å; C570-S574 PolarHBondContact O-N 3.41Å; C570-S574 PolarHBondContact O-OG 3.43Å; C570-S574 VanDerWaalsContact O-OG 3.06Å
571F93.9Very high89Confident0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-58.3-49.3177.3173.8-117000113.5F334 E341 I343 L449 Q567 R568 E569 K573 S574 L575F334-F571 HydrophobicContact CD2-CB 3.92Å; F334-F571 HydrophobicContact CD2-CD2 4.47Å; F334-F571 HydrophobicContact CE2-CB 3.68Å; F334-F571 AromaticContact CE2-CD2 3.62Å; F334-F571 HydrophobicContact CE2-CD2 3.62Å; F334-F571 HydrophobicContact CE2-CG 4.12Å; F334-F571 HydrophobicContact CZ-CB 4.15Å; F334-F571 HydrophobicContact CZ-CD2 4.19Å; E341-F571 HydrophobicContact CB-CD1 4.39Å; E341-F571 HydrophobicContact CB-CD2 3.82Å; E341-F571 HydrophobicContact CB-CE1 4.46Å; E341-F571 HydrophobicContact CB-CE2 3.84Å; E341-F571 HydrophobicContact CB-CG 4.06Å; E341-F571 HydrophobicContact CB-CZ 4.18Å; E341-F571 HydrophobicContact CG-CB 3.98Å; E341-F571 HydrophobicContact CG-CD1 3.52Å; E341-F571 HydrophobicContact CG-CD2 3.79Å; E341-F571 HydrophobicContact CG-CE1 3.83Å; E341-F571 HydrophobicContact CG-CE2 4.02Å; E341-F571 HydrophobicContact CG-CG 3.48Å; E341-F571 VanDerWaalsContact CG-CG 3.48Å; E341-F571 HydrophobicContact CG-CZ 4.05Å; E341-F571 WeakPolarHBondContact O-CE2 3.49Å; E341-F571 VanDerWaalsContact O-CZ 3.23Å; E341-F571 WeakPolarHBondContact O-CZ 3.22Å; I343-F571 HydrophobicContact CB-CE1 4.41Å; I343-F571 HydrophobicContact CD1-CD1 3.76Å; I343-F571 HydrophobicContact CD1-CE1 3.74Å; I343-F571 HydrophobicContact CG1-CD1 4.09Å; I343-F571 HydrophobicContact CG1-CE1 3.76Å; L449-F571 HydrophobicContact CB-CE2 4.15Å; L449-F571 HydrophobicContact CD1-CD2 3.7Å; L449-F571 HydrophobicContact CD1-CE2 3.93Å; L449-F571 HydrophobicContact CG-CD2 3.92Å; L449-F571 HydrophobicContact CG-CE2 3.62Å; Q567-F571 PolarHBondContact O-N 3.43Å; R568-F571 WeakPolarHBondContact O-CB 3.35Å; R568-F571 PolarHBondContact O-N 3.17Å; E569-F571 VanDerWaalsContact C-N 3.31Å; E569-F571 PolarHBondContact O-N 2.83Å; F571-K573 VanDerWaalsContact C-N 3.31Å; F571-K573 PolarHBondContact O-N 3.48Å; F571-S574 PolarHBondContact O-N 3.11Å; F571-L575 HydrophobicContact CD1-CD1 4.22Å; F571-L575 HydrophobicContact CE1-CD1 3.73Å; F571-L575 HydrophobicContact CE2-CD1 4.3Å; F571-L575 HydrophobicContact CE2-CG 4.35Å; F571-L575 HydrophobicContact CZ-CD1 3.79Å; F571-L575 HydrophobicContact CZ-CG 4.31Å; F571-L575 PolarHBondContact O-N 3.02Å
572I93.8Very high87.1Confident0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-63.7-38179.6-63.2160.2000111.2I343 L515 L516 L519 R568 E569 L575 T576I343-I572 HydrophobicContact CD1-CD1 3.81Å; I343-I572 HydrophobicContact CD1-CG1 3.42Å; I343-I572 VanDerWaalsContact CD1-CG1 3.42Å; L515-I572 HydrophobicContact CB-CD1 3.97Å; L515-I572 HydrophobicContact CB-CG2 4.38Å; L516-I572 HydrophobicContact CD1-CG2 4.33Å; L516-I572 HydrophobicContact CD2-CB 4.06Å; L516-I572 HydrophobicContact CD2-CG2 3.79Å; L516-I572 HydrophobicContact CG-CG2 3.68Å; L519-I572 HydrophobicContact CD2-CD1 4.25Å; R568-I572 HydrophobicContact CG-CD1 4Å; R568-I572 VanDerWaalsContact O-CG1 3.31Å; R568-I572 WeakPolarHBondContact O-CG1 3.11Å; R568-I572 PolarHBondContact O-N 3.08Å; E569-I572 PolarHBondContact O-N 3.28Å; I572-L575 WeakPolarHBondContact O-CB 3.47Å; I572-L575 PolarHBondContact O-N 2.97Å; I572-T576 PolarHBondContact O-N 2.8Å; I572-T576 PolarHBondContact O-OG1 3.12Å
573K92.5Very high84.8Confident98 Ų9849.1 Ų49.143%0.42625%0.245SC..Hα-helixtrans-64.4-41.3175.3-74.9176.5-178.6169.30111.7L516 E569 C570 F571 T576 I577L516-K573 HydrophobicContact CD2-CG 4.43Å; E569-K573 HydrophobicContact CG-CD 4.3Å; E569-K573 WeakPolarHBondContact O-CB 3.47Å; E569-K573 WeakPolarHBondContact O-CG 3.38Å; E569-K573 PolarHBondContact O-N 2.77Å; E569-K573 VanDerWaalsContact OE1-CE 3.22Å; E569-K573 WeakPolarHBondContact OE1-CE 3.44Å; E569-K573 IonicContact OE1-NZ 2.73Å; E569-K573 PolarHBondContact OE1-NZ 3.04Å; C570-K573 PolarHBondContact O-N 3.33Å; F571-K573 VanDerWaalsContact C-N 3.31Å; F571-K573 PolarHBondContact O-N 3.48Å; K573-T576 WeakPolarHBondContact O-CB 3.38Å; K573-T576 PolarHBondContact O-N 3.28Å; K573-T576 VanDerWaalsContact O-N 3.16Å; K573-I577 WeakPolarHBondContact O-CG1 3.49Å; K573-I577 PolarHBondContact O-N 3.09Å
574S90.7Very high82.1Confident6 Ų652 Ų524%0.04227%0.265CS..Hα-helixtrans-63.2-40.8175.5-57.60000111.9F334 E336 C570 F571 T576 I577 I578F334-S574 WeakPolarHBondContact CE1-OG 3.22Å; E336-S574 WeakPolarHBondContact CG-OG 3.32Å; E336-S574 WeakPolarHBondContact OE1-CB 3.3Å; E336-S574 PolarHBondContact OE1-OG 3.09Å; C570-S574 PolarHBondContact O-N 3.41Å; C570-S574 PolarHBondContact O-OG 3.43Å; C570-S574 VanDerWaalsContact O-OG 3.06Å; F571-S574 PolarHBondContact O-N 3.11Å; S574-T576 VanDerWaalsContact C-N 3.31Å; S574-T576 PolarHBondContact O-N 3.16Å; S574-I577 PolarHBondContact O-N 3.42Å; S574-I578 WeakPolarHBondContact O-CG1 3.45Å; S574-I578 PolarHBondContact O-N 3.34Å; S574-I578 VanDerWaalsContact O-N 3.08Å
575L88.5Confident79.2Confident3 Ų357.2 Ų57.22%0.01630%0.297CS..Hα-helixtrans-58.1-43.2171.3-72.2170.7000111.9L447 S448 L449 Y512 F571 I572 I578 S579L447-L575 HydrophobicContact CB-CD1 4.02Å; S448-L575 WeakPolarHBondContact O-CD2 3.45Å; L449-L575 HydrophobicContact CD2-CD2 3.77Å; L449-L575 HydrophobicContact CD2-CG 4.25Å; L449-L575 HydrophobicContact CG-CD2 4.15Å; L449-L575 HydrophobicContact CG-CG 4.47Å; Y512-L575 HydrophobicContact CD1-CB 4.41Å; Y512-L575 HydrophobicContact CE1-CB 4.02Å; Y512-L575 HydrophobicContact CE1-CD1 4.24Å; F571-L575 HydrophobicContact CD1-CD1 4.22Å; F571-L575 HydrophobicContact CE1-CD1 3.73Å; F571-L575 HydrophobicContact CE2-CD1 4.3Å; F571-L575 HydrophobicContact CE2-CG 4.35Å; F571-L575 HydrophobicContact CZ-CD1 3.79Å; F571-L575 HydrophobicContact CZ-CG 4.31Å; F571-L575 PolarHBondContact O-N 3.02Å; I572-L575 WeakPolarHBondContact O-CB 3.47Å; I572-L575 PolarHBondContact O-N 2.97Å; L575-I578 PolarHBondContact O-N 3.44Å; L575-S579 WeakPolarHBondContact O-CB 3.48Å; L575-S579 PolarHBondContact O-N 2.92Å
576T84.2Confident76Confident37 Ų3762.4 Ų62.423%0.22733%0.331CS..Hα-helixtrans-63-44.9178.7-54.70000111.5I572 K573 S574 S579 M580I572-T576 PolarHBondContact O-N 2.8Å; I572-T576 PolarHBondContact O-OG1 3.12Å; K573-T576 WeakPolarHBondContact O-CB 3.38Å; K573-T576 PolarHBondContact O-N 3.28Å; K573-T576 VanDerWaalsContact O-N 3.16Å; S574-T576 VanDerWaalsContact C-N 3.31Å; S574-T576 PolarHBondContact O-N 3.16Å; T576-S579 WeakPolarHBondContact O-CB 3.26Å; T576-S579 PolarHBondContact O-N 3Å; T576-M580 WeakPolarHBondContact O-CG 3.48Å; T576-M580 PolarHBondContact O-N 3.25Å
577I82.2Confident72.9Confident92 Ų9265 Ų6547%0.47235%0.354SS..Hα-helixtrans-62-46.6179.3-68.8165.8000110.8K573 S574 S579 M580 C581K573-I577 WeakPolarHBondContact O-CG1 3.49Å; K573-I577 PolarHBondContact O-N 3.09Å; S574-I577 PolarHBondContact O-N 3.42Å; I577-S579 VanDerWaalsContact C-N 3.31Å; I577-S579 PolarHBondContact O-N 2.71Å; I577-M580 WeakPolarHBondContact O-CB 3.38Å; I577-M580 PolarHBondContact O-N 3.27Å; I577-M580 VanDerWaalsContact O-N 3.09Å; I577-C581 PolarHBondContact O-N 3.46Å; I577-C581 PolarHBondContact O-SG 3.19Å
578I75.1Confident69.7Low51 Ų5174.7 Ų74.726%0.26239%0.389SS..Hα-helixtrans-61.9-43179.3-68.6173.1000110.8L449 S574 L575 M580 C581 Y582L449-I578 HydrophobicContact CD2-CD1 3.28Å; S574-I578 WeakPolarHBondContact O-CG1 3.45Å; S574-I578 PolarHBondContact O-N 3.34Å; S574-I578 VanDerWaalsContact O-N 3.08Å; L575-I578 PolarHBondContact O-N 3.44Å; I578-M580 VanDerWaalsContact C-N 3.26Å; I578-M580 PolarHBondContact O-N 3.06Å; I578-C581 WeakPolarHBondContact O-CB 3.3Å; I578-C581 PolarHBondContact O-N 2.78Å; I578-C581 VanDerWaalsContact O-N 3.09Å; I578-Y582 HydrophobicContact CG2-CD2 4.11Å; I578-Y582 HydrophobicContact CG2-CE2 3.78Å; I578-Y582 VanDerWaalsContact O-CD2 3.3Å; I578-Y582 WeakPolarHBondContact O-CD2 3.46Å; I578-Y582 PolarHBondContact O-N 3.4Å
579S73.7Confident66.4Low6 Ų680.9 Ų80.94%0.04243%0.428CS..Hα-helixtrans-54.9-41.7173.5-169.90000112.1Q505 N509 L575 T576 I577Q505-S579 PolarHBondContact NE2-O 3.11Å; Q505-S579 PolarHBondContact NE2-OG 2.98Å; N509-S579 PolarHBondContact OD1-OG 3.49Å; L575-S579 WeakPolarHBondContact O-CB 3.48Å; L575-S579 PolarHBondContact O-N 2.92Å; T576-S579 WeakPolarHBondContact O-CB 3.26Å; T576-S579 PolarHBondContact O-N 3Å; I577-S579 VanDerWaalsContact C-N 3.31Å; I577-S579 PolarHBondContact O-N 2.71Å
580M69.1Low63.2Low116 Ų11684.5 Ų84.557%0.57145%0.453SS*.Hα-helixtrans-70.6-34.2176.2-65.4-179.185.400113T576 I577 I578 Y582 M583T576-M580 WeakPolarHBondContact O-CG 3.48Å; T576-M580 PolarHBondContact O-N 3.25Å; I577-M580 WeakPolarHBondContact O-CB 3.38Å; I577-M580 PolarHBondContact O-N 3.27Å; I577-M580 VanDerWaalsContact O-N 3.09Å; I578-M580 VanDerWaalsContact C-N 3.26Å; I578-M580 PolarHBondContact O-N 3.06Å; M580-Y582 VanDerWaalsContact C-N 3.3Å; M580-Y582 PolarHBondContact O-N 3.23Å; M580-M583 VanDerWaalsContact O-CB 3.3Å; M580-M583 WeakPolarHBondContact O-CB 3.3Å; M580-M583 PolarHBondContact O-N 3.23Å
581C61.8Low59.9Low68 Ų6888.2 Ų88.246%0.45947%0.474SS..Hα-helixtrans-62.7-36.1176.9-71.40000112.4I577 I578 M583 L584I577-C581 PolarHBondContact O-N 3.46Å; I577-C581 PolarHBondContact O-SG 3.19Å; I578-C581 WeakPolarHBondContact O-CB 3.3Å; I578-C581 PolarHBondContact O-N 2.78Å; I578-C581 VanDerWaalsContact O-N 3.09Å; C581-M583 PolarHBondContact O-N 3.27Å; C581-L584 PolarHBondContact O-N 3.5Å; C581-L584 VanDerWaalsContact O-N 3.08Å
582Y56.9Low56.7Low132 Ų13290.9 Ų90.952%0.51850%0.502SS..Hα-helixtrans-61.6-26.5173.2-81.1-74.2000113.2N454 I578 M580 L584N454-Y582 PolarHBondContact O-OH 3.3Å; I578-Y582 HydrophobicContact CG2-CD2 4.11Å; I578-Y582 HydrophobicContact CG2-CE2 3.78Å; I578-Y582 VanDerWaalsContact O-CD2 3.3Å; I578-Y582 WeakPolarHBondContact O-CD2 3.46Å; I578-Y582 PolarHBondContact O-N 3.4Å; M580-Y582 VanDerWaalsContact C-N 3.3Å; M580-Y582 PolarHBondContact O-N 3.23Å; Y582-L584 VanDerWaalsContact C-N 3.32Å; Y582-L584 PolarHBondContact O-N 3.08Å
583M47.3Very low53.6Low135 Ų13597.8 Ų97.867%0.66554%0.544SS*.Hα-helixtrans-73.2-23.1175.5-63.1-78.8-72.900113.1Q505 M580 C581Q505-M583 HydrophobicContact CG-SD 4.13Å; M580-M583 VanDerWaalsContact O-CB 3.3Å; M580-M583 WeakPolarHBondContact O-CB 3.3Å; M580-M583 PolarHBondContact O-N 3.23Å; C581-M583 PolarHBondContact O-N 3.27Å
584L41Very low50.3Low144 Ų144102.8 Ų102.875%0.75457%0.566SS**Hα-helixtrans-94.6-10.7-174-67.4171.8000113.5C581 Y582C581-L584 PolarHBondContact O-N 3.5Å; C581-L584 VanDerWaalsContact O-N 3.08Å; Y582-L584 VanDerWaalsContact C-N 3.32Å; Y582-L584 PolarHBondContact O-N 3.08Å
585V35.6Very low47.3Very low109 Ų109107.8 Ų107.866%0.66160%0.601SS**SBendtrans-115.598.8179.5-173.50000109.7S587V585-S587 PolarHBondContact O-N 3.46Å
586P30.6Very low44.5Very low110 Ų110112.6 Ų112.671%0.71463%0.632SS**  trans-66.4130.41725.63.9000109.1R588P586-R588 PolarHBondContact O-N 3.15Å
587S31.2Very low41.7Very low119 Ų119116.4 Ų116.483%0.83266%0.659SS**  trans-38100.6176.8550000112.9V585V585-S587 PolarHBondContact O-N 3.46Å
588R28Very low39.1Very low227 Ų227119.8 Ų119.886%0.85768%0.677SS**  trans-84.4110.9157.5-79.8-172174.9-173.70.2107.2P586 V590P586-R588 PolarHBondContact O-N 3.15Å; R588-V590 PolarHBondContact O-N 3.11Å; R588-V590 VanDerWaalsContact O-N 3.11Å
589T27.1Very low36.8Very low133 Ų133122.8 Ų122.882%0.81670%0.7SS**  trans-44.411116041.70000110.1
590V28.8Very low34.7Very low128 Ų128130.7 Ų130.778%0.77674%0.741SS**  trans-112.585165.8-175.60000107.8R588R588-V590 PolarHBondContact O-N 3.11Å; R588-V590 VanDerWaalsContact O-N 3.11Å
591T26.3Very low32.6Very low138 Ų138133.2 Ų133.285%0.84775%0.752SS**  trans-69.8122.1152.747.60000108.1
592G26.1Very low30.9Very low57 Ų57137.7 Ų137.759%0.58877%0.77SS**  trans109.9119.9150.400000117.7
593V28.5Very low29.5Very low144 Ų144140.9 Ų140.987%0.87379%0.789SS**  trans82.1108.3142-164.80000117.5
594F24.6Very low28.7Very low203 Ų203139.5 Ų139.589%0.8979%0.793SS**  trans-39135.6158.5-84.5-99.7000113.8
595S25.9Very low28.1Very low112 Ų112140.9 Ų140.978%0.78380%0.796SS**  trans-153.7130.1136.2-161.10000110.2
596P30.1Very low27.9Very low104 Ų104142.8 Ų142.868%0.67580%0.802SS**  trans-82.3162.7172.334.9-30.6000110.4
597C25.3Very low27.9Very low117 Ų117145.2 Ų145.279%0.79181%0.808SS**  trans81101.4173.5-55.20000116.8
598L28Very low28Very low163 Ų163145.8 Ų145.885%0.85380%0.802SS**  -171.5146110.2-118.599.6000109.9
599P26.9Very low28Very low114 Ų114142.9 Ų142.974%0.7480%0.798SS**  trans-81.6129.9-17932.6-28.6000110.1
600L28.8Very low28.1Very low172 Ų172147.5 Ų147.590%0.90180%0.8SS**  trans-108.692166.5-84.6160000108.4
601E25Very low28.2Very low169 Ų169150.8 Ų150.879%0.7980%0.804SS**  trans-60.2153.6145.2-73.6178.6149.900109.1
602L26.9Very low28.3Very low161 Ų161153.4 Ų153.484%0.84380%0.804SS**SBendtrans95.1121.6177.3-65.9112.4000116.8
603E27.2Very low28.3Very low199 Ų199160 Ų16093%0.9382%0.817SS**SBendtrans103.923.2160.8-57.6-164.615500121.3
604S30Very low28.3Very low106 Ų106159.2 Ų159.274%0.74181%0.812SS**SBendtrans-119.88.6166.3620000116.2
605Q30Very low28.5Very low173 Ų173160 Ų16081%0.80881%0.811SS**SBendtrans-86.4-3.2-176.5-82.5-166.2-1800116.7
606N30.9Very low28.7Very low149 Ų149165.8 Ų165.880%0.79783%0.83SS**SBendtrans-119.38.1-169.1-86.9-31.3000117.7
607L31.1Very low28.6Very low162 Ų162168.9 Ų168.985%0.84884%0.838SS**SBendtrans-116.3-12.8178.3-83.9157.3000115.4
608L31.9Very low28.8Very low131 Ų131171.6 Ų171.669%0.68684%0.841SS**SBendtrans-95.1-7.3-179.4-89.2150.6000114.8R610L608-R610 PolarHBondContact O-N 2.92Å
609Q29.6Very low28.9Very low166 Ų166172.1 Ų172.178%0.77684%0.84SS**THydrogen-bonded Turntrans-86.35.9-178.6-89.8-174.9-1400115.5
610R28.2Very low29Very low230 Ų230175.5 Ų175.587%0.86885%0.846SS**THydrogen-bonded Turntrans-108.84.7-174.1-89.7-174.5174.2-172.1-0.9117.2L608L608-R610 PolarHBondContact O-N 2.92Å
611F30.8Very low29Very low196 Ų196175.7 Ų175.786%0.8684%0.842SS**SBendtrans-116.56.4178-75.8-76.7000115.5F613F611-F613 PolarHBondContact O-N 3.37Å
612F29.2Very low29.3Very low193 Ų193176.1 Ų176.185%0.84685%0.846SS**  trans-90.866.4168.2-91.8-83.4000111.2
613F25.9Very low29.4Very low197 Ų197177.2 Ų177.286%0.86485%0.846SS**  trans-157136.5162.4-96.7-78.7000108.1F611F611-F613 PolarHBondContact O-N 3.37Å
614V28.2Very low29.6Very low126 Ų126175.5 Ų175.576%0.76484%0.84SS**SBendtrans9096.9-179.9-169.50000111.7
615Y28.1Very low29.6Very low220 Ų220181.3 Ų181.386%0.86385%0.848SS**  cis-143.9151.742.9-104.4-93.2000112.3
616I31.1Very low29.5Very low233 Ų233182.1 Ų182.1100%1.19585%0.851SS**  trans-66.70162.8-69.1168.9000110

Retrieved 616 of 616 residues in 313.6 ms (Link to these results)

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