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Deoxyribodipyrimidine photo-lyase

Involved in repair of UV radiation-induced DNA damage. Catalyzes the light-dependent monomerization (300-600 nm) of cyclobutyl pyrimidine dimers (in cis-syn configuration), which are formed between adjacent bases on the same DNA strand upon exposure to ultraviolet radiation.

AlphaFold DB , UniProt , Accession G4LVC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 533 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
1M32.1Very low66.8Low242 Ų242105.7 Ų105.7100%1.19257%0.572SS**  0108.90-69-179.6-173.200106.9
2A42.5Very low69.2Low100 Ų100103.8 Ų103.883%0.82656%0.56SS**  trans-57.7135.216800000107.7Q4A2-Q4 PolarHBondContact O-N 3.33Å
3S48.7Very low71.3Confident68 Ų6897.2 Ų97.248%0.47652%0.522SS..  trans-56.5140.7-171.860.80000111.5V5 E315S3-V5 PolarHBondContact O-N 3.46Å; S3-E315 WeakPolarHBondContact CB-OE1 3.4Å; S3-E315 PolarHBondContact OG-OE1 3.48Å
4Q52.2Low73.2Confident191 Ų19192.7 Ų92.789%0.89350%0.498SS*.SBendtrans-73.6-3.9175.3-77.8-177.2-24.100113A2 G6A2-Q4 PolarHBondContact O-N 3.33Å; Q4-G6 PolarHBondContact O-N 3.09Å; Q4-G6 VanDerWaalsContact O-N 3.14Å
5V59.1Low74.8Confident32 Ų3293.5 Ų93.519%0.19450%0.497CS..  trans-79.799.5-178.71780000109.5S3 D9 V10 H310 E315S3-V5 PolarHBondContact O-N 3.46Å; V5-D9 HydrophobicContact CG1-CB 4.4Å; V5-V10 HydrophobicContact CG1-CG2 3.95Å; V5-H310 WeakPolarHBondContact CG1-CE1 3.43Å; V5-H310 WeakPolarHBondContact CG1-ND1 3.46Å; V5-E315 HydrophobicContact CG2-CG 4.26Å
6G72.7Confident76.2Confident33 Ų3391.7 Ų91.734%0.3449%0.488SS..  trans-77.2160.8172.500000111.8Q4 H8 D9 V10Q4-G6 PolarHBondContact O-N 3.09Å; Q4-G6 VanDerWaalsContact O-N 3.14Å; G6-H8 PolarHBondContact O-N 2.98Å; G6-H8 VanDerWaalsContact O-N 3.11Å; G6-D9 PolarHBondContact N-OD2 3.09Å; G6-D9 PolarHBondContact O-N 2.8Å; G6-V10 PolarHBondContact O-N 3.35Å
7K74Confident77.5Confident192 Ų19286.3 Ų86.384%0.83546%0.459SS*.Hα-helixtrans-53.1-30.9169.4-71.9-176.1177.1-178.90112.4L11K7-L11 WeakPolarHBondContact O-CG 3.45Å; K7-L11 PolarHBondContact O-N 3.05Å
8H75.6Confident78.6Confident125 Ų12585.1 Ų85.158%0.57946%0.455SS*.Hα-helixtrans-63.5-42.5177.1-172.667.1000112.5G6 V10 L11 L12G6-H8 PolarHBondContact O-N 2.98Å; G6-H8 VanDerWaalsContact O-N 3.11Å; H8-V10 VanDerWaalsContact C-N 3.33Å; H8-V10 PolarHBondContact O-N 3.06Å; H8-L11 PolarHBondContact O-N 2.75Å; H8-L12 WeakPolarHBondContact NE2-CD1 3.48Å; H8-L12 WeakPolarHBondContact O-CG 3.33Å; H8-L12 PolarHBondContact O-N 3.05Å
9D89.5Confident79.7Confident67 Ų6787.7 Ų87.736%0.35846%0.463SS..Hα-helixtrans-63.9-41.1-179.9-57-36.6000111.3V5 G6 L11 L12 W13V5-D9 HydrophobicContact CG1-CB 4.4Å; G6-D9 PolarHBondContact N-OD2 3.09Å; G6-D9 PolarHBondContact O-N 2.8Å; D9-L11 PolarHBondContact O-N 3.35Å; D9-L12 PolarHBondContact O-N 2.66Å; D9-W13 WeakPolarHBondContact O-CB 3.3Å; D9-W13 PolarHBondContact O-N 2.89Å
10V93.7Very high80.6Confident11 Ų1185.8 Ų85.87%0.06745%0.45CS..Hα-helixtrans-62-44.7176.7179.30000111V5 G6 H8 W13 I14 T307 H310V5-V10 HydrophobicContact CG1-CG2 3.95Å; G6-V10 PolarHBondContact O-N 3.35Å; H8-V10 VanDerWaalsContact C-N 3.33Å; H8-V10 PolarHBondContact O-N 3.06Å; V10-W13 PolarHBondContact O-N 3.38Å; V10-I14 HydrophobicContact CG1-CD1 3.95Å; V10-I14 HydrophobicContact CG1-CG1 4.49Å; V10-I14 WeakPolarHBondContact O-CG1 3.27Å; V10-I14 PolarHBondContact O-N 3.31Å; V10-T307 HydrophobicContact CG1-CG2 4.14Å; V10-T307 HydrophobicContact CG2-CG2 4.44Å; V10-H310 HydrophobicContact CG2-CB 4.43Å
11L94.4Very high81.5Confident102 Ų10282.3 Ų82.353%0.53443%0.431SS..Hα-helixtrans-63.9-43.4178.6-70.8172.3000111.8K7 H8 D9 W13 I14 Q15K7-L11 WeakPolarHBondContact O-CG 3.45Å; K7-L11 PolarHBondContact O-N 3.05Å; H8-L11 PolarHBondContact O-N 2.75Å; D9-L11 PolarHBondContact O-N 3.35Å; L11-W13 VanDerWaalsContact C-N 3.3Å; L11-W13 PolarHBondContact O-N 3.1Å; L11-I14 PolarHBondContact O-N 3.31Å; L11-Q15 VanDerWaalsContact O-CG 3.3Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 3.14Å
12L95.9Very high84.6Confident82 Ų8275.1 Ų75.143%0.42940%0.397SS..Hα-helixtrans-61.8-39.7175.2-72.3178.1000111.7H8 D9 Q15 D16H8-L12 WeakPolarHBondContact NE2-CD1 3.48Å; H8-L12 WeakPolarHBondContact O-CG 3.33Å; H8-L12 PolarHBondContact O-N 3.05Å; D9-L12 PolarHBondContact O-N 2.66Å; L12-Q15 WeakPolarHBondContact O-CB 3.45Å; L12-Q15 PolarHBondContact O-N 2.93Å; L12-D16 PolarHBondContact O-N 3.46Å
13W97Very high87.3Confident18 Ų1874.5 Ų74.57%0.06839%0.392CS..Hα-helixtrans-68.2-38.8177.3-17781.3000112.8D9 V10 L11 Q15 D16 I17 L306 L309 H310 I313 E352D9-W13 WeakPolarHBondContact O-CB 3.3Å; D9-W13 PolarHBondContact O-N 2.89Å; V10-W13 PolarHBondContact O-N 3.38Å; L11-W13 VanDerWaalsContact C-N 3.3Å; L11-W13 PolarHBondContact O-N 3.1Å; W13-Q15 VanDerWaalsContact C-N 3.32Å; W13-Q15 PolarHBondContact O-N 2.77Å; W13-D16 WeakPolarHBondContact O-CB 3.27Å; W13-D16 PolarHBondContact O-N 3.35Å; W13-I17 HydrophobicContact CD2-CD1 4.14Å; W13-I17 HydrophobicContact CE3-CD1 3.85Å; W13-I17 HydrophobicContact CH2-CD1 3.65Å; W13-I17 HydrophobicContact CZ2-CD1 3.97Å; W13-I17 HydrophobicContact CZ3-CD1 3.59Å; W13-I17 PolarHBondContact O-N 3.42Å; W13-L306 HydrophobicContact CZ3-CB 4.22Å; W13-L306 HydrophobicContact CZ3-CD2 4.3Å; W13-L306 WeakPolarHBondContact CZ3-O 3.46Å; W13-L309 HydrophobicContact CH2-CB 4.35Å; W13-L309 HydrophobicContact CH2-CD2 3.71Å; W13-L309 HydrophobicContact CH2-CG 3.79Å; W13-H310 VanDerWaalsContact CB-CD2 3.49Å; W13-H310 WeakPolarHBondContact CB-CD2 3.19Å; W13-H310 HydrophobicContact CD2-CB 4.35Å; W13-H310 AromaticContact CD2-CD2 3.56Å; W13-H310 HydrophobicContact CE3-CB 3.85Å; W13-H310 AromaticContact CE3-CD2 3.8Å; W13-H310 AromaticContact CG-CD2 3.44Å; W13-H310 VanDerWaalsContact CG-CD2 3.44Å; W13-H310 HydrophobicContact CH2-CB 4.48Å; W13-H310 HydrophobicContact CZ3-CB 3.94Å; W13-I313 HydrophobicContact CZ2-CD1 4Å; W13-E352 HydrophobicContact CH2-CB 4.48Å; W13-E352 HydrophobicContact CH2-CG 4.15Å; W13-E352 HydrophobicContact CZ2-CB 3.8Å; W13-E352 HydrophobicContact CZ2-CG 3.64Å
14I97.3Very high89.6Confident35 Ų3574.6 Ų74.618%0.17939%0.389CS..Hα-helixtrans-64.7-38.4172.6-68.5171.5000110.7V10 L11 D16 I17 T18 L306V10-I14 HydrophobicContact CG1-CD1 3.95Å; V10-I14 HydrophobicContact CG1-CG1 4.49Å; V10-I14 WeakPolarHBondContact O-CG1 3.27Å; V10-I14 PolarHBondContact O-N 3.31Å; L11-I14 PolarHBondContact O-N 3.31Å; I14-D16 VanDerWaalsContact C-N 3.33Å; I14-D16 PolarHBondContact O-N 2.78Å; I14-I17 WeakPolarHBondContact O-CB 3.4Å; I14-I17 PolarHBondContact O-N 2.91Å; I14-T18 PolarHBondContact O-N 3.03Å; I14-T18 VanDerWaalsContact O-N 3.09Å; I14-T18 PolarHBondContact O-OG1 3.33Å; I14-L306 HydrophobicContact CD1-CB 4.06Å; I14-L306 HydrophobicContact CD1-CD1 4.46Å; I14-L306 HydrophobicContact CG1-CB 4.13Å; I14-L306 HydrophobicContact CG1-CD1 4.18Å; I14-L306 HydrophobicContact CG2-CD1 4.39Å
15Q97Very high91.8Very high104 Ų10465.9 Ų65.949%0.48635%0.35SS..Hα-helixtrans-63.9-37.1173.2-71.8172.61.300112.3L11 L12 W13 I17 T18 K19L11-Q15 VanDerWaalsContact O-CG 3.3Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 3.14Å; L12-Q15 WeakPolarHBondContact O-CB 3.45Å; L12-Q15 PolarHBondContact O-N 2.93Å; W13-Q15 VanDerWaalsContact C-N 3.32Å; W13-Q15 PolarHBondContact O-N 2.77Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-T18 WeakPolarHBondContact O-CB 3.2Å; Q15-T18 PolarHBondContact O-N 2.67Å; Q15-K19 WeakPolarHBondContact O-CG 3.15Å; Q15-K19 PolarHBondContact O-N 2.97Å
16D97.8Very high93.6Very high65 Ų6569 Ų6935%0.34837%0.366SS..Hα-helixtrans-61.8-41.8173.3-178.465.9000111.8L12 W13 I14 T18 K19 K20L12-D16 PolarHBondContact O-N 3.46Å; W13-D16 WeakPolarHBondContact O-CB 3.27Å; W13-D16 PolarHBondContact O-N 3.35Å; I14-D16 VanDerWaalsContact C-N 3.33Å; I14-D16 PolarHBondContact O-N 2.78Å; D16-T18 VanDerWaalsContact C-N 3.3Å; D16-T18 PolarHBondContact O-N 3.12Å; D16-K19 WeakPolarHBondContact O-CB 3.09Å; D16-K19 PolarHBondContact O-N 3.34Å; D16-K19 VanDerWaalsContact O-N 3.12Å; D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.25Å; D16-K20 WeakPolarHBondContact OD2-CE 3.19Å; D16-K20 IonicContact OD2-NZ 2.82Å; D16-K20 PolarHBondContact OD2-NZ 3Å
17I98.5Very high94.8Very high0 Ų068.5 Ų68.50%036%0.356CS..Hα-helixtrans-57.9-44.3171.9-66.8168.8000110.8W13 I14 Q15 K19 K20 R21 L306 E352W13-I17 HydrophobicContact CD2-CD1 4.14Å; W13-I17 HydrophobicContact CE3-CD1 3.85Å; W13-I17 HydrophobicContact CH2-CD1 3.65Å; W13-I17 HydrophobicContact CZ2-CD1 3.97Å; W13-I17 HydrophobicContact CZ3-CD1 3.59Å; W13-I17 PolarHBondContact O-N 3.42Å; I14-I17 WeakPolarHBondContact O-CB 3.4Å; I14-I17 PolarHBondContact O-N 2.91Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; I17-K19 VanDerWaalsContact C-N 3.33Å; I17-K19 PolarHBondContact O-N 2.94Å; I17-K20 WeakPolarHBondContact O-CB 3.36Å; I17-K20 PolarHBondContact O-N 3.18Å; I17-R21 WeakPolarHBondContact O-CG 3.47Å; I17-R21 PolarHBondContact O-N 3.18Å; I17-L306 HydrophobicContact CD1-CD2 4.13Å; I17-E352 HydrophobicContact CD1-CG 4.48Å
18T97.8Very high95.9Very high64 Ų6459.3 Ų59.339%0.39332%0.316SS..Hα-helixtrans-61.3-40175.5-61.70000112.3I14 Q15 D16 R21 L22I14-T18 PolarHBondContact O-N 3.03Å; I14-T18 VanDerWaalsContact O-N 3.09Å; I14-T18 PolarHBondContact O-OG1 3.33Å; Q15-T18 WeakPolarHBondContact O-CB 3.2Å; Q15-T18 PolarHBondContact O-N 2.67Å; D16-T18 VanDerWaalsContact C-N 3.3Å; D16-T18 PolarHBondContact O-N 3.12Å; T18-R21 PolarHBondContact O-N 2.98Å; T18-L22 HydrophobicContact CG2-CD1 4.37Å; T18-L22 PolarHBondContact O-N 3.29Å; T18-L22 VanDerWaalsContact O-N 3.14Å
19K98.4Very high96.8Very high136 Ų13656.1 Ų56.159%0.59131%0.308SS*.Hα-helixtrans-63.7-40.9174.3-69.2173.8-174175.50111.9Q15 D16 I17 R21 L22 A23Q15-K19 WeakPolarHBondContact O-CG 3.15Å; Q15-K19 PolarHBondContact O-N 2.97Å; D16-K19 WeakPolarHBondContact O-CB 3.09Å; D16-K19 PolarHBondContact O-N 3.34Å; D16-K19 VanDerWaalsContact O-N 3.12Å; I17-K19 VanDerWaalsContact C-N 3.33Å; I17-K19 PolarHBondContact O-N 2.94Å; K19-R21 VanDerWaalsContact C-N 3.32Å; K19-R21 PolarHBondContact O-N 3.03Å; K19-L22 PolarHBondContact O-N 3.45Å; K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.21Å
20K98.5Very high97.2Very high48 Ų4858.8 Ų58.821%0.20932%0.318CS..Hα-helixtrans-59.6-40.8175-71.5166.7174.61520111.9D16 I17 A23 E259 E352D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.25Å; D16-K20 WeakPolarHBondContact OD2-CE 3.19Å; D16-K20 IonicContact OD2-NZ 2.82Å; D16-K20 PolarHBondContact OD2-NZ 3Å; I17-K20 WeakPolarHBondContact O-CB 3.36Å; I17-K20 PolarHBondContact O-N 3.18Å; K20-A23 PolarHBondContact O-N 3.27Å; K20-E259 HydrophobicContact CB-CG 4.24Å; K20-E259 WeakPolarHBondContact O-CG 3.23Å; K20-E352 IonicContact NZ-OE1 3.94Å; K20-E352 IonicContact NZ-OE2 3.16Å; K20-E352 PolarHBondContact NZ-OE2 3.24Å
21R98.4Very high97.3Very high13 Ų1359.5 Ų59.55%0.04932%0.32CS..Hα-helixtrans-60.6-48.9174.3-63.2-178-174.11150.9111.8I17 T18 K19 A23 V24 A25 D83 F260 P262I17-R21 WeakPolarHBondContact O-CG 3.47Å; I17-R21 PolarHBondContact O-N 3.18Å; T18-R21 PolarHBondContact O-N 2.98Å; K19-R21 VanDerWaalsContact C-N 3.32Å; K19-R21 PolarHBondContact O-N 3.03Å; R21-A23 VanDerWaalsContact C-N 3.26Å; R21-A23 PolarHBondContact O-N 3.21Å; R21-V24 WeakPolarHBondContact O-CG2 3.36Å; R21-V24 PolarHBondContact O-N 3.47Å; R21-A25 PolarHBondContact O-N 3.21Å; R21-D83 IonicContact CZ-OD1 3.19Å; R21-D83 VanDerWaalsContact CZ-OD1 3.29Å; R21-D83 IonicContact CZ-OD2 4Å; R21-D83 IonicContact NE-OD1 2.89Å; R21-D83 PolarHBondContact NE-OD1 3.1Å; R21-D83 IonicContact NE-OD2 3.68Å; R21-D83 IonicContact NH2-OD1 3.47Å; R21-D83 PolarHBondContact NH2-OD1 3.07Å; R21-D83 IonicContact NH2-OD2 3.42Å; R21-D83 PolarHBondContact NH2-OD2 2.86Å; R21-F260 VanDerWaalsContact CA-O 3.25Å; R21-F260 WeakPolarHBondContact CA-O 3.16Å; R21-F260 WeakPolarHBondContact CB-O 3.23Å; R21-F260 VanDerWaalsContact CG-O 3.32Å; R21-F260 WeakPolarHBondContact CG-O 3.43Å; R21-P262 HydrophobicContact CB-CB 4.26Å
22L98.1Very high97.3Very high91 Ų9164 Ų6448%0.47634%0.336SS..Hα-helixtrans-66-28.2179.1-72.7166.4000113.1T18 K19 V24 P262T18-L22 HydrophobicContact CG2-CD1 4.37Å; T18-L22 PolarHBondContact O-N 3.29Å; T18-L22 VanDerWaalsContact O-N 3.14Å; K19-L22 PolarHBondContact O-N 3.45Å; L22-V24 VanDerWaalsContact C-N 3.26Å; L22-V24 PolarHBondContact O-N 3.45Å; L22-P262 HydrophobicContact CD2-CG 4.04Å
23A98Very high97.3Very high87 Ų8760.8 Ų60.872%0.71932%0.318SS*.Hα-helixtrans-69.4-21.3178.400000113.4K19 K20 R21K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.21Å; K20-A23 PolarHBondContact O-N 3.27Å; R21-A23 VanDerWaalsContact C-N 3.26Å; R21-A23 PolarHBondContact O-N 3.21Å
24V97.8Very high97.3Very high70 Ų7061.2 Ų61.242%0.42433%0.325SS..Hα-helixtrans-96.4-31.8179.6-63.90000114.4R21 L22 F31 E259R21-V24 WeakPolarHBondContact O-CG2 3.36Å; R21-V24 PolarHBondContact O-N 3.47Å; L22-V24 VanDerWaalsContact C-N 3.26Å; L22-V24 PolarHBondContact O-N 3.45Å; V24-F31 HydrophobicContact CG2-CD2 4.45Å; V24-F31 HydrophobicContact CG2-CE2 4.32Å; V24-E259 HydrophobicContact CB-CB 4.47Å; V24-E259 HydrophobicContact CG1-CB 3.67Å; V24-E259 HydrophobicContact CG1-CG 3.98Å; V24-E259 HydrophobicContact CG2-CB 4.07Å; V24-E259 HydrophobicContact CG2-CG 4.01Å
25A97.9Very high97.2Very high9 Ų967.8 Ų67.87%0.07435%0.352CS..  trans-167153.2171.800000110.1R21 T27 E30 F31 P261 P262R21-A25 PolarHBondContact O-N 3.21Å; A25-T27 VanDerWaalsContact C-N 3.33Å; A25-T27 WeakPolarHBondContact CB-O 3.35Å; A25-E30 HydrophobicContact CB-CB 4.17Å; A25-F31 HydrophobicContact CB-CB 4.07Å; A25-F31 HydrophobicContact CB-CD2 4.35Å; A25-P261 HydrophobicContact CB-CB 4.09Å; A25-P262 WeakPolarHBondContact O-CD 3.37Å
26N97.5Very high97.2Very high97 Ų9764.8 Ų64.852%0.51934%0.342SS..SBendtrans-74.8-29.4173-59.1-62.1000111.7E30 P262 I264N26-E30 WeakPolarHBondContact CB-OE2 3.41Å; N26-E30 PolarHBondContact N-OE2 2.93Å; N26-E30 PolarHBondContact ND2-OE2 3.24Å; N26-E30 VanDerWaalsContact ND2-OE2 3.09Å; N26-P262 WeakPolarHBondContact O-CG 3.44Å; N26-I264 VanDerWaalsContact O-CG2 3.27Å; N26-I264 WeakPolarHBondContact O-CG2 3.5Å
27T97.6Very high97.2Very high22 Ų2261.8 Ų61.814%0.13533%0.326CS..SBendtrans-147.7161.8-178.376.10000110.8A25 S29 E30 F31 I264A25-T27 VanDerWaalsContact C-N 3.33Å; A25-T27 WeakPolarHBondContact CB-O 3.35Å; T27-S29 PolarHBondContact O-N 3.09Å; T27-S29 WeakPolarHBondContact OG1-CB 3.49Å; T27-S29 PolarHBondContact OG1-N 2.83Å; T27-E30 PolarHBondContact O-N 3.26Å; T27-F31 PolarHBondContact O-N 2.98Å; T27-I264 HydrophobicContact CG2-CD1 3.61Å; T27-I264 HydrophobicContact CG2-CG1 4.24Å; T27-I264 HydrophobicContact CG2-CG2 4.04Å
28V97.2Very high97.1Very high0 Ų063.3 Ų63.30%034%0.335CS..THydrogen-bonded Turntrans-62.7-21.217367.80000114E30 F31 Y33 L88 Q91 R92 L95 P261V28-E30 VanDerWaalsContact C-N 3.3Å; V28-F31 PolarHBondContact O-N 2.88Å; V28-Y33 HydrophobicContact CG2-CD2 4.39Å; V28-L88 HydrophobicContact CB-CD2 3.96Å; V28-L88 HydrophobicContact CG2-CB 3.91Å; V28-L88 HydrophobicContact CG2-CD2 4.1Å; V28-L88 WeakPolarHBondContact CG2-O 3.43Å; V28-Q91 HydrophobicContact CG1-CB 4.31Å; V28-Q91 HydrophobicContact CG1-CG 4.3Å; V28-R92 HydrophobicContact CB-CB 4.49Å; V28-R92 HydrophobicContact CG1-CB 3.72Å; V28-R92 HydrophobicContact CG2-CB 4.03Å; V28-L95 HydrophobicContact CG1-CD1 4.38Å; V28-P261 HydrophobicContact CB-CG 4.24Å; V28-P261 HydrophobicContact CG2-CG 4.2Å
29S95.4Very high97Very high58 Ų5863.6 Ų63.641%0.40633%0.329SS..THydrogen-bonded Turntrans-67.8-32.5176.9-61.80000112.2T27 L95T27-S29 PolarHBondContact O-N 3.09Å; T27-S29 WeakPolarHBondContact OG1-CB 3.49Å; T27-S29 PolarHBondContact OG1-N 2.83Å; S29-L95 WeakPolarHBondContact OG-CD1 3.42Å
30E96.5Very high96.8Very high122 Ų12260.5 Ų60.557%0.5732%0.317SS*.THydrogen-bonded Turntrans-84.7-14.2176.6-66.6166.1-158.500112.4A25 N26 T27 V28A25-E30 HydrophobicContact CB-CB 4.17Å; N26-E30 WeakPolarHBondContact CB-OE2 3.41Å; N26-E30 PolarHBondContact N-OE2 2.93Å; N26-E30 PolarHBondContact ND2-OE2 3.24Å; N26-E30 VanDerWaalsContact ND2-OE2 3.09Å; T27-E30 PolarHBondContact O-N 3.26Å; V28-E30 VanDerWaalsContact C-N 3.3Å
31F96.6Very high96.6Very high26 Ų2660.9 Ų60.911%0.11432%0.321CS..SBendtrans-85.9140.4-175.9-172.7-99.3000112.7V24 A25 T27 V28 Y33 W85 R92 E259 P261V24-F31 HydrophobicContact CG2-CD2 4.45Å; V24-F31 HydrophobicContact CG2-CE2 4.32Å; A25-F31 HydrophobicContact CB-CB 4.07Å; A25-F31 HydrophobicContact CB-CD2 4.35Å; T27-F31 PolarHBondContact O-N 2.98Å; V28-F31 PolarHBondContact O-N 2.88Å; F31-Y33 VanDerWaalsContact C-N 3.31Å; F31-Y33 PolarHBondContact O-N 3.23Å; F31-W85 HydrophobicContact CD1-CZ3 4.46Å; F31-W85 AromaticContact CE1-CH2 3.96Å; F31-W85 HydrophobicContact CE1-CH2 3.96Å; F31-W85 AromaticContact CE1-CZ3 3.81Å; F31-W85 HydrophobicContact CE1-CZ3 3.81Å; F31-W85 HydrophobicContact CZ-CH2 4.14Å; F31-W85 HydrophobicContact CZ-CZ3 4.42Å; F31-R92 PolarHBondContact O-NH1 3.26Å; F31-E259 WeakPolarHBondContact CZ-O 3.49Å; F31-P261 HydrophobicContact CB-CB 3.85Å; F31-P261 HydrophobicContact CB-CG 3.72Å; F31-P261 HydrophobicContact CD1-CG 3.82Å; F31-P261 HydrophobicContact CD2-CB 4.05Å; F31-P261 HydrophobicContact CD2-CG 3.99Å; F31-P261 HydrophobicContact CE1-CG 4.45Å; F31-P261 HydrophobicContact CG-CB 3.96Å; F31-P261 HydrophobicContact CG-CG 3.57Å
32K95Very high96.3Very high197 Ų19761.7 Ų61.786%0.85733%0.325SS*.  trans-76.479.8174.3-169.7-179.6179.8179.10111A34K32-A34 PolarHBondContact O-N 2.8Å
33Y95.7Very high95.7Very high15 Ų1558.5 Ų58.56%0.05931%0.314CS..  trans-63.6130.9179.7-168.8-79.9000112.3V28 F31 K35 R37 V38 W85 L88 F89 R92 V223V28-Y33 HydrophobicContact CG2-CD2 4.39Å; F31-Y33 VanDerWaalsContact C-N 3.31Å; F31-Y33 PolarHBondContact O-N 3.23Å; Y33-K35 PolarHBondContact O-N 3.15Å; Y33-K35 VanDerWaalsContact O-N 3.15Å; Y33-R37 HydrophobicContact CE1-CB 4.23Å; Y33-V38 HydrophobicContact CE1-CG2 3.69Å; Y33-W85 HydrophobicContact CD2-CE3 4.34Å; Y33-W85 AromaticContact CE2-CE3 3.93Å; Y33-W85 HydrophobicContact CE2-CE3 3.93Å; Y33-W85 WeakPolarHBondContact CE2-O 3.41Å; Y33-W85 PolarHBondContact OH-O 3.41Å; Y33-L88 HydrophobicContact CE2-CB 4.39Å; Y33-F89 HydrophobicContact CD1-CD2 4.18Å; Y33-F89 HydrophobicContact CE1-CB 4.45Å; Y33-F89 AromaticContact CE1-CD2 3.94Å; Y33-F89 HydrophobicContact CE1-CD2 3.94Å; Y33-F89 HydrophobicContact CE1-CG 4.41Å; Y33-F89 HydrophobicContact CE2-CB 3.89Å; Y33-F89 HydrophobicContact CE2-CD2 4.43Å; Y33-R92 VanDerWaalsContact CB-NH1 3.26Å; Y33-V223 WeakPolarHBondContact OH-CG1 3.48Å
34A96.7Very high94.8Very high26 Ų2655.8 Ų55.822%0.21529%0.289CS..  trans-76.399.7179.500000111.6K32 C36 R37 L256K32-A34 PolarHBondContact O-N 2.8Å; A34-C36 PolarHBondContact O-N 3.38Å; A34-C36 VanDerWaalsContact O-N 3.1Å; A34-R37 HydrophobicContact CB-CG 4.24Å; A34-R37 WeakPolarHBondContact O-CB 3.15Å; A34-R37 WeakPolarHBondContact O-CG 3.4Å; A34-R37 PolarHBondContact O-N 3.48Å; A34-L256 HydrophobicContact CB-CD2 3.53Å
35K94.5Very high93.5Very high174 Ų17459.3 Ų59.376%0.75731%0.305SS*.G310 helixtrans-58-25.5-176.8-66.2-174.5179.5-177.30114.5Y33 R37 V38Y33-K35 PolarHBondContact O-N 3.15Å; Y33-K35 VanDerWaalsContact O-N 3.15Å; K35-R37 PolarHBondContact O-N 2.9Å; K35-R37 VanDerWaalsContact O-N 3.12Å; K35-V38 PolarHBondContact O-N 2.81Å
36C96.7Very high92Very high40 Ų4064.7 Ų64.727%0.2733%0.329SS..G310 helixtrans-63.4-15.7177.162.40000114A34 V38 W232A34-C36 PolarHBondContact O-N 3.38Å; A34-C36 VanDerWaalsContact O-N 3.1Å; C36-V38 PolarHBondContact O-N 3.08Å; C36-W232 PolarHBondContact O-NE1 3.2Å
37R97.9Very high90.1Very high3 Ų360.3 Ų60.31%0.01131%0.305CS..G310 helixtrans-70.5-19.4171.5-59.3-173.4173.8-71.8-5113.3Y33 A34 K35 W85 V223 D224 N227 V228 P230 W232 L256Y33-R37 HydrophobicContact CE1-CB 4.23Å; A34-R37 HydrophobicContact CB-CG 4.24Å; A34-R37 WeakPolarHBondContact O-CB 3.15Å; A34-R37 WeakPolarHBondContact O-CG 3.4Å; A34-R37 PolarHBondContact O-N 3.48Å; K35-R37 PolarHBondContact O-N 2.9Å; K35-R37 VanDerWaalsContact O-N 3.12Å; R37-W85 VanDerWaalsContact CZ-NE1 3.34Å; R37-V223 HydrophobicContact CB-CG1 4.17Å; R37-V223 CarbonylContact O-C 3.56Å; R37-V223 VanDerWaalsContact O-CA 3.25Å; R37-V223 WeakPolarHBondContact O-CA 3.37Å; R37-D224 PolarHBondContact O-N 2.86Å; R37-N227 PolarHBondContact NH1-O 3.46Å; R37-V228 PolarHBondContact NH1-O 3.05Å; R37-V228 PolarHBondContact NH2-O 3.11Å; R37-P230 VanDerWaalsContact CA-CG 3.5Å; R37-P230 HydrophobicContact CB-CG 4.06Å; R37-P230 HydrophobicContact CG-CG 3.7Å; R37-W232 WeakPolarHBondContact O-CZ2 3.45Å; R37-L256 PolarHBondContact NH2-O 3.47Å
38V97.7Very high87.9Confident32 Ų3260.9 Ų60.919%0.19431%0.309CS..EExtended strand (participates in β ladder)trans-105.7135.4-174.1-167.40000109.2Y33 K35 C36 F89 C221 Q222 V223Y33-V38 HydrophobicContact CE1-CG2 3.69Å; K35-V38 PolarHBondContact O-N 2.81Å; C36-V38 PolarHBondContact O-N 3.08Å; V38-F89 HydrophobicContact CB-CE1 4.45Å; V38-F89 HydrophobicContact CB-CZ 4.49Å; V38-F89 HydrophobicContact CG1-CD1 4.23Å; V38-F89 HydrophobicContact CG1-CE1 3.61Å; V38-F89 HydrophobicContact CG1-CZ 3.92Å; V38-F89 HydrophobicContact CG2-CD1 4.09Å; V38-F89 HydrophobicContact CG2-CD2 4.05Å; V38-F89 HydrophobicContact CG2-CE1 3.99Å; V38-F89 HydrophobicContact CG2-CE2 3.97Å; V38-F89 HydrophobicContact CG2-CG 4.12Å; V38-F89 HydrophobicContact CG2-CZ 3.94Å; V38-C221 HydrophobicContact CG1-CB 3.86Å; V38-Q222 WeakPolarHBondContact CA-O 3.29Å; V38-V223 HydrophobicContact CG1-CG2 4.3Å; V38-V223 HydrophobicContact CG2-CG2 4.13Å
39R95.4Very high85.7Confident69 Ų6963.7 Ų63.726%0.2633%0.329SS..EExtended strand (participates in β ladder)trans-123.3139.4162.567.2-179.1-174.2171.91.1109.9L41 C221 Q222 W232 Y383R39-L41 HydrophobicContact CG-CD2 4.16Å; R39-C221 CarbonylContact O-C 3.58Å; R39-C221 WeakPolarHBondContact O-CA 3.37Å; R39-Q222 HydrophobicContact CG-CB 4.03Å; R39-Q222 PolarHBondContact N-O 3.38Å; R39-Q222 PolarHBondContact O-N 3.32Å; R39-W232 HydrophobicContact CB-CZ2 4.3Å; R39-W232 HydrophobicContact CG-CH2 3.99Å; R39-W232 HydrophobicContact CG-CZ2 3.98Å; R39-W232 HydrophobicContact CG-CZ3 4.41Å; R39-Y383 PolarHBondContact NH1-OH 3.01Å
40Q93.9Very high83.6Confident71 Ų7161.5 Ų61.533%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-81.2130.9172.1-173.8172.438.500109.1G43 P44 N45Q40-G43 PolarHBondContact NE2-O 2.83Å; Q40-P44 PolarHBondContact NE2-O 3.25Å; Q40-N45 PolarHBondContact NE2-OD1 3.38Å; Q40-N45 PolarHBondContact OE1-ND2 2.96Å; Q40-N45 PolarHBondContact OE1-OD1 2.74Å
41L94.9Very high81.3Confident56 Ų5660.7 Ų60.729%0.29331%0.312SS..EExtended strand (participates in β ladder)trans-100.5-37.9176.3-59.7-178.9000111.6R39 I207 F220 Q222R39-L41 HydrophobicContact CG-CD2 4.16Å; L41-I207 HydrophobicContact CD1-CG2 3.26Å; L41-F220 WeakPolarHBondContact CA-O 3.05Å; L41-F220 HydrophobicContact CB-CD1 4.34Å; L41-F220 HydrophobicContact CB-CG 4.47Å; L41-F220 WeakPolarHBondContact CB-O 3.48Å; L41-F220 HydrophobicContact CD1-CD1 4.19Å; L41-F220 HydrophobicContact CD1-CE1 4.04Å; L41-F220 HydrophobicContact CD1-CE2 4.41Å; L41-F220 HydrophobicContact CD1-CG 4.46Å; L41-F220 HydrophobicContact CD1-CZ 4.15Å; L41-F220 PolarHBondContact N-O 3.3Å; L41-Q222 HydrophobicContact CD1-CB 3.83Å; L41-Q222 HydrophobicContact CD2-CB 4.35Å; L41-Q222 HydrophobicContact CG-CB 4.08Å
42K92Very high79.1Confident31 Ų3166.4 Ų66.414%0.13534%0.339CS..EExtended strand (participates in β ladder)trans-154.7162.1-180-171163.6-175.6171.70112.3A211 L214 E216 P219 F220K42-A211 WeakPolarHBondContact CD-O 3.47Å; K42-A211 WeakPolarHBondContact CE-O 3.37Å; K42-A211 PolarHBondContact NZ-O 2.9Å; K42-L214 HydrophobicContact CD-CB 4.39Å; K42-L214 VanDerWaalsContact CE-O 3.31Å; K42-L214 WeakPolarHBondContact CE-O 3.47Å; K42-L214 PolarHBondContact NZ-O 3.25Å; K42-E216 WeakPolarHBondContact CE-OE1 3.49Å; K42-E216 WeakPolarHBondContact CE-OE2 3.44Å; K42-E216 IonicContact NZ-OE1 3.86Å; K42-E216 PolarHBondContact NZ-OE1 3.14Å; K42-P219 WeakPolarHBondContact O-CA 3.41Å; K42-F220 HydrophobicContact CB-CB 4.19Å; K42-F220 PolarHBondContact N-O 2.93Å; K42-F220 PolarHBondContact O-N 3.46Å
43G85.1Confident77Confident24 Ų2463.7 Ų63.725%0.24733%0.334CS..SBendtrans81.8-176.2168.300000113.7Q40 E216Q40-G43 PolarHBondContact NE2-O 2.83Å; G43-E216 WeakPolarHBondContact CA-O 3.33Å
44P79Confident74.9Confident30 Ų3067.3 Ų67.320%0.19535%0.35CS..  trans-72.1154.7179.926.3-30.8000112.2Q40 H46 E216 N217 P219Q40-P44 PolarHBondContact NE2-O 3.25Å; P44-H46 WeakPolarHBondContact CG-O 3.49Å; P44-H46 PolarHBondContact O-N 3.47Å; P44-E216 WeakPolarHBondContact CD-O 3.2Å; P44-N217 WeakPolarHBondContact CD-O 3.49Å; P44-P219 HydrophobicContact CG-CG 4.17Å; P44-P219 WeakPolarHBondContact O-CB 3.17Å; P44-P219 WeakPolarHBondContact O-CG 3.44Å
45N70.2Confident72.6Confident143 Ų14372.8 Ų72.877%0.76537%0.371SS*.SBendtrans-76.58.8171.5-87.8-49000113.5Q40Q40-N45 PolarHBondContact NE2-OD1 3.38Å; Q40-N45 PolarHBondContact OE1-ND2 2.96Å; Q40-N45 PolarHBondContact OE1-OD1 2.74Å
46H65.6Low70.6Confident123 Ų12371 Ų7157%0.56937%0.365SS*.SBendtrans-128.6161.517662.474.4000109.7P44 P219P44-H46 WeakPolarHBondContact CG-O 3.49Å; P44-H46 PolarHBondContact O-N 3.47Å; H46-P219 WeakPolarHBondContact O-CG 3.24Å
47F57.8Low68.3Low5 Ų577 Ų772%0.02239%0.387CS..  trans-71.2129.3173.5-139.8-100.3000108.4S49 L50 M69 V71 F97 V99 C192F47-S49 PolarHBondContact O-N 3.47Å; F47-L50 HydrophobicContact CB-CB 4.32Å; F47-L50 HydrophobicContact CD1-CD1 3.87Å; F47-L50 HydrophobicContact CD1-CG 4.29Å; F47-L50 HydrophobicContact CE1-CD1 4.28Å; F47-L50 PolarHBondContact O-N 2.99Å; F47-M69 HydrophobicContact CD1-CE 3.54Å; F47-M69 HydrophobicContact CD1-SD 4.34Å; F47-M69 HydrophobicContact CE1-CB 3.95Å; F47-M69 HydrophobicContact CE1-CE 3.49Å; F47-M69 VanDerWaalsContact CE1-CE 3.49Å; F47-M69 HydrophobicContact CE1-SD 4.13Å; F47-V71 HydrophobicContact CE2-CG2 3.94Å; F47-V71 HydrophobicContact CZ-CG2 4.25Å; F47-F97 HydrophobicContact CB-CD1 4.03Å; F47-F97 HydrophobicContact CB-CD2 4.3Å; F47-F97 HydrophobicContact CB-CE1 3.67Å; F47-F97 HydrophobicContact CB-CE2 3.97Å; F47-F97 HydrophobicContact CB-CG 4.34Å; F47-F97 HydrophobicContact CB-CZ 3.66Å; F47-F97 AromaticContact CD2-CD2 3.5Å; F47-F97 HydrophobicContact CD2-CD2 3.5Å; F47-F97 VanDerWaalsContact CD2-CD2 3.5Å; F47-F97 AromaticContact CD2-CE2 3.61Å; F47-F97 HydrophobicContact CD2-CE2 3.61Å; F47-F97 HydrophobicContact CD2-CG 4.03Å; F47-F97 HydrophobicContact CD2-CZ 4.21Å; F47-F97 AromaticContact CE2-CD2 3.93Å; F47-F97 HydrophobicContact CE2-CD2 3.93Å; F47-F97 HydrophobicContact CE2-CE2 4.41Å; F47-F97 HydrophobicContact CE2-CG 4.44Å; F47-F97 HydrophobicContact CG-CD1 4.27Å; F47-F97 HydrophobicContact CG-CD2 4.02Å; F47-F97 HydrophobicContact CG-CE1 4.34Å; F47-F97 HydrophobicContact CG-CE2 4.1Å; F47-F97 HydrophobicContact CG-CG 4.12Å; F47-F97 HydrophobicContact CG-CZ 4.27Å; F47-V99 HydrophobicContact CZ-CG2 4.42Å; F47-C192 HydrophobicContact CD2-CB 3.91Å; F47-C192 HydrophobicContact CE2-CB 3.22Å; F47-C192 HydrophobicContact CZ-CB 3.86Å
48P52.4Low66Low34 Ų3479.3 Ų79.322%0.22140%0.402CS..THydrogen-bonded Turntrans-66.71.9-166.123.8-37000117N217P48-N217 HydrophobicContact CB-CB 3.97Å; P48-N217 WeakPolarHBondContact CB-O 3.31Å; P48-N217 WeakPolarHBondContact CG-O 3.37Å
49S51.2Low63.8Low59 Ų5979.1 Ų79.141%0.41340%0.399SS..THydrogen-bonded Turntrans-1467.2179-34.90000114.3F47 F54 M69F47-S49 PolarHBondContact O-N 3.47Å; S49-F54 WeakPolarHBondContact O-CE2 3.44Å; S49-M69 VanDerWaalsContact OG-CE 3.23Å; S49-M69 WeakPolarHBondContact OG-CE 3.43Å
50L51.1Low61.9Low11 Ų1180.6 Ų80.66%0.05841%0.408CS..  trans-129.192.2-177.6-61.3173.8000108.2F47 H59 I62 M69 F97F47-L50 HydrophobicContact CB-CB 4.32Å; F47-L50 HydrophobicContact CD1-CD1 3.87Å; F47-L50 HydrophobicContact CD1-CG 4.29Å; F47-L50 HydrophobicContact CE1-CD1 4.28Å; F47-L50 PolarHBondContact O-N 2.99Å; L50-H59 WeakPolarHBondContact CD2-CD2 3.38Å; L50-H59 VanDerWaalsContact CD2-NE2 3.3Å; L50-H59 WeakPolarHBondContact CD2-NE2 3.44Å; L50-I62 HydrophobicContact CD2-CD1 4.32Å; L50-M69 HydrophobicContact CD1-SD 4.36Å; L50-M69 HydrophobicContact CG-SD 4.26Å; L50-F97 HydrophobicContact CB-CD1 3.96Å; L50-F97 HydrophobicContact CB-CE1 4.28Å; L50-F97 HydrophobicContact CD1-CB 3.82Å; L50-F97 HydrophobicContact CD1-CD1 3.78Å; L50-F97 HydrophobicContact CD1-CG 4.12Å
51D48.3Very low59.9Low105 Ų10581.4 Ų81.456%0.56142%0.418SS*.  trans-63.7146.3162.8-167.1-3.2000108.9N53 F54D51-N53 PolarHBondContact O-N 3.44Å; D51-N53 VanDerWaalsContact O-N 3.09Å; D51-F54 HydrophobicContact CB-CD2 3.92Å; D51-F54 HydrophobicContact CB-CE2 3.89Å; D51-F54 VanDerWaalsContact N-CE2 3.26Å; D51-F54 WeakPolarHBondContact O-CD2 3.35Å; D51-F54 PolarHBondContact O-N 3.5Å
52E51Low57.8Low147 Ų14780.5 Ų80.569%0.68741%0.414SS*.THydrogen-bonded Turntrans-62.9-18.4-178.4-61.6-169.8156.400112.3K96E52-K96 IonicContact OE1-NZ 2.79Å; E52-K96 PolarHBondContact OE1-NZ 3.47Å
53N50Low55.8Low139 Ų13982.4 Ų82.474%0.74343%0.425SS*.THydrogen-bonded Turntrans-94.211.2-176.7-62.8-44.7000115D51 E55D51-N53 PolarHBondContact O-N 3.44Å; D51-N53 VanDerWaalsContact O-N 3.09Å; N53-E55 PolarHBondContact O-N 2.79Å
54F52Low54.2Low91 Ų9188.5 Ų88.540%0.39944%0.444SS..  trans-66.5133.1-176.9-94.9-70.7000113.7S49 D51 T58S49-F54 WeakPolarHBondContact O-CE2 3.44Å; D51-F54 HydrophobicContact CB-CD2 3.92Å; D51-F54 HydrophobicContact CB-CE2 3.89Å; D51-F54 VanDerWaalsContact N-CE2 3.26Å; D51-F54 WeakPolarHBondContact O-CD2 3.35Å; D51-F54 PolarHBondContact O-N 3.5Å; F54-T58 HydrophobicContact CD1-CG2 3.77Å; F54-T58 HydrophobicContact CE1-CG2 3.66Å
55E48.5Very low53Low141 Ų14190.1 Ų90.166%0.65946%0.457SS*.  trans-61.5138.2166.1-67.2-176.617500111.2N53 K57 T58 H59N53-E55 PolarHBondContact O-N 2.79Å; E55-K57 PolarHBondContact O-N 3.21Å; E55-K57 VanDerWaalsContact O-N 3.09Å; E55-T58 PolarHBondContact O-N 3.28Å; E55-H59 PolarHBondContact O-N 2.77Å
56E52.2Low51.8Low137 Ų13785.8 Ų85.864%0.6445%0.446SS*.Hα-helixtrans-55.9-31.6-175.8-157.4159.8-14000113.2H59 E60 K98E56-H59 WeakPolarHBondContact O-CB 3.49Å; E56-H59 PolarHBondContact O-N 3.33Å; E56-E60 PolarHBondContact O-N 3.16Å; E56-K98 IonicContact OE1-NZ 3.35Å; E56-K98 PolarHBondContact OE1-NZ 3.19Å
57K48.5Very low51.2Low165 Ų16585.1 Ų85.172%0.71745%0.446SS*.Hα-helixtrans-64.4-37.9175.7-79.7-177176.7176.30113.5E55 H59 T61E55-K57 PolarHBondContact O-N 3.21Å; E55-K57 VanDerWaalsContact O-N 3.09Å; K57-H59 VanDerWaalsContact C-N 3.34Å; K57-T61 PolarHBondContact O-N 3.38Å; K57-T61 PolarHBondContact O-OG1 2.93Å
58T49.9Very low51.2Low53 Ų5389.4 Ų89.433%0.32547%0.465SS..Hα-helixtrans-73-34.6178.9-47.20000110.4F54 E55 T61 I62F54-T58 HydrophobicContact CD1-CG2 3.77Å; F54-T58 HydrophobicContact CE1-CG2 3.66Å; E55-T58 PolarHBondContact O-N 3.28Å; T58-T61 WeakPolarHBondContact O-CB 3.48Å; T58-T61 PolarHBondContact O-N 3.37Å; T58-T61 VanDerWaalsContact O-N 3.1Å; T58-I62 HydrophobicContact CG2-CD1 4.46Å; T58-I62 WeakPolarHBondContact O-CG1 3.28Å; T58-I62 PolarHBondContact O-N 3.41Å
59H51.6Low52.5Low28 Ų2888.4 Ų88.413%0.1346%0.457CS..Hα-helixtrans-63.3-45.8174.3-148.4-156.5000111.5L50 E55 E56 K57 T61 I62 L63 F97L50-H59 WeakPolarHBondContact CD2-CD2 3.38Å; L50-H59 VanDerWaalsContact CD2-NE2 3.3Å; L50-H59 WeakPolarHBondContact CD2-NE2 3.44Å; E55-H59 PolarHBondContact O-N 2.77Å; E56-H59 WeakPolarHBondContact O-CB 3.49Å; E56-H59 PolarHBondContact O-N 3.33Å; K57-H59 VanDerWaalsContact C-N 3.34Å; H59-T61 VanDerWaalsContact C-N 3.25Å; H59-T61 PolarHBondContact O-N 3.26Å; H59-I62 PolarHBondContact O-N 3.04Å; H59-L63 WeakPolarHBondContact O-CB 3.25Å; H59-L63 WeakPolarHBondContact O-CG 3.23Å; H59-L63 PolarHBondContact O-N 2.89Å; H59-F97 PolarHBondContact CE1-O 2.89Å; H59-F97 PolarHBondContact NE2-O 3.14Å
60E54.8Low54.4Low99 Ų9985.6 Ų85.646%0.46344%0.438SS..Hα-helixtrans-57.8-39.4170.2-81-166.6-174.800112.3E56 L63 K64E56-E60 PolarHBondContact O-N 3.16Å; E60-L63 PolarHBondContact O-N 3.37Å; E60-K64 WeakPolarHBondContact O-CB 3.16Å; E60-K64 WeakPolarHBondContact O-CD 3.41Å; E60-K64 WeakPolarHBondContact O-CG 3.17Å; E60-K64 PolarHBondContact O-N 2.88Å; E60-K64 IonicContact OE2-NZ 2.75Å; E60-K64 PolarHBondContact OE2-NZ 2.89Å
61T50.9Low56.5Low88 Ų8885.1 Ų85.154%0.5444%0.435SS..Hα-helixtrans-68.4-41.9-178.5-54.70000111.6K57 T58 H59 K64 S65K57-T61 PolarHBondContact O-N 3.38Å; K57-T61 PolarHBondContact O-OG1 2.93Å; T58-T61 WeakPolarHBondContact O-CB 3.48Å; T58-T61 PolarHBondContact O-N 3.37Å; T58-T61 VanDerWaalsContact O-N 3.1Å; H59-T61 VanDerWaalsContact C-N 3.25Å; H59-T61 PolarHBondContact O-N 3.26Å; T61-K64 CarbonylContact O-C 3.53Å; T61-K64 PolarHBondContact O-N 3.08Å; T61-S65 VanDerWaalsContact O-CB 3.27Å; T61-S65 WeakPolarHBondContact O-CB 3.41Å; T61-S65 PolarHBondContact O-N 2.8Å
62I52.3Low58.8Low38 Ų3880.1 Ų80.120%0.19541%0.409CS..Hα-helixtrans-64.9-46.3174-66168.9000110.2L50 T58 H59 K64 S65 M69L50-I62 HydrophobicContact CD2-CD1 4.32Å; T58-I62 HydrophobicContact CG2-CD1 4.46Å; T58-I62 WeakPolarHBondContact O-CG1 3.28Å; T58-I62 PolarHBondContact O-N 3.41Å; H59-I62 PolarHBondContact O-N 3.04Å; I62-K64 VanDerWaalsContact C-N 3.26Å; I62-K64 PolarHBondContact O-N 2.89Å; I62-S65 PolarHBondContact O-N 3.48Å; I62-S65 VanDerWaalsContact O-N 3.12Å; I62-S65 PolarHBondContact O-OG 3.24Å; I62-M69 HydrophobicContact CG2-SD 4.39Å
63L49.3Very low61.1Low70 Ų7073.1 Ų73.137%0.36638%0.376SS..Hα-helixtrans-60.7-34.8175.5-69.7169.7000112.2H59 E60H59-L63 WeakPolarHBondContact O-CB 3.25Å; H59-L63 WeakPolarHBondContact O-CG 3.23Å; H59-L63 PolarHBondContact O-N 2.89Å; E60-L63 PolarHBondContact O-N 3.37Å
64K50.8Low63.4Low152 Ų15266.6 Ų66.666%0.66134%0.341SS*.Hα-helixtrans-77.9-26.7175.1-75.3167.3-178.4165.60113.1E60 T61 I62 G66E60-K64 WeakPolarHBondContact O-CB 3.16Å; E60-K64 WeakPolarHBondContact O-CD 3.41Å; E60-K64 WeakPolarHBondContact O-CG 3.17Å; E60-K64 PolarHBondContact O-N 2.88Å; E60-K64 IonicContact OE2-NZ 2.75Å; E60-K64 PolarHBondContact OE2-NZ 2.89Å; T61-K64 CarbonylContact O-C 3.53Å; T61-K64 PolarHBondContact O-N 3.08Å; I62-K64 VanDerWaalsContact C-N 3.26Å; I62-K64 PolarHBondContact O-N 2.89Å; K64-G66 PolarHBondContact O-N 3.05Å
65S54.1Low65.6Low65 Ų6562.2 Ų62.246%0.45532%0.322SS..THydrogen-bonded Turntrans-68.4-1.6-175.572.80000114.6T61 I62 N67T61-S65 VanDerWaalsContact O-CB 3.27Å; T61-S65 WeakPolarHBondContact O-CB 3.41Å; T61-S65 PolarHBondContact O-N 2.8Å; I62-S65 PolarHBondContact O-N 3.48Å; I62-S65 VanDerWaalsContact O-N 3.12Å; I62-S65 PolarHBondContact O-OG 3.24Å; S65-N67 PolarHBondContact O-N 3.26Å
66G46Very low68Low52 Ų5255.8 Ų55.854%0.53629%0.292SS..SBendtrans78.5-11.9-178.100000113.9K64 K68K64-G66 PolarHBondContact O-N 3.05Å; G66-K68 PolarHBondContact O-N 3.49Å
67N53.3Low70.1Confident108 Ų10849.4 Ų49.458%0.57826%0.262SS*.  trans-71.857.4167-72.7-22.8000110.8S65 M69S65-N67 PolarHBondContact O-N 3.26Å; N67-M69 WeakPolarHBondContact O-CG 3.27Å; N67-M69 PolarHBondContact O-N 3.36Å
68K55.9Low72.5Confident95 Ų9541.6 Ų41.641%0.41323%0.228SC..  trans-60.8103.4-179.5-66.9-171.1-178.9-170.70110.1G66 N189 H270G66-K68 PolarHBondContact O-N 3.49Å; K68-N189 PolarHBondContact N-ND2 3.08Å; K68-N189 WeakPolarHBondContact O-CB 3.46Å; K68-N189 PolarHBondContact O-ND2 3.27Å; K68-H270 PolarHBondContact NZ-CD2 3.19Å; K68-H270 PolarHBondContact NZ-CE1 2.86Å; K68-H270 PolarHBondContact NZ-NE2 3.12Å
69M80.2Confident74.8Confident13 Ų1339.2 Ų39.26%0.06421%0.213CC..  trans-81.6138.9175.1-52.5179.18400109.4F47 S49 L50 I62 N67 V99 P100 S191F47-M69 HydrophobicContact CD1-CE 3.54Å; F47-M69 HydrophobicContact CD1-SD 4.34Å; F47-M69 HydrophobicContact CE1-CB 3.95Å; F47-M69 HydrophobicContact CE1-CE 3.49Å; F47-M69 VanDerWaalsContact CE1-CE 3.49Å; F47-M69 HydrophobicContact CE1-SD 4.13Å; S49-M69 VanDerWaalsContact OG-CE 3.23Å; S49-M69 WeakPolarHBondContact OG-CE 3.43Å; L50-M69 HydrophobicContact CD1-SD 4.36Å; L50-M69 HydrophobicContact CG-SD 4.26Å; I62-M69 HydrophobicContact CG2-SD 4.39Å; N67-M69 WeakPolarHBondContact O-CG 3.27Å; N67-M69 PolarHBondContact O-N 3.36Å; M69-V99 HydrophobicContact CB-CG1 4.11Å; M69-V99 VanDerWaalsContact O-CB 3.24Å; M69-V99 WeakPolarHBondContact O-CB 3.11Å; M69-V99 VanDerWaalsContact O-CG1 3.25Å; M69-V99 WeakPolarHBondContact O-CG1 3.29Å; M69-P100 WeakPolarHBondContact O-CD 3.31Å; M69-S191 WeakPolarHBondContact CB-OG 3.41Å
70G90.8Very high77Confident1 Ų138 Ų381%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-134.8160.5176.200000113.3P100 N189 S191 C192G70-P100 WeakPolarHBondContact CA-O 3.4Å; G70-N189 PolarHBondContact N-O 3.45Å; G70-S191 PolarHBondContact O-N 2.96Å; G70-C192 PolarHBondContact O-N 3.17Å
71V95.2Very high79.2Confident0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-100.4132.8167.6177.80000108.9F47 A90 L93 A94 V99 P100 L101 H102 C192 I194F47-V71 HydrophobicContact CE2-CG2 3.94Å; F47-V71 HydrophobicContact CZ-CG2 4.25Å; V71-A90 HydrophobicContact CG1-CB 4.1Å; V71-L93 HydrophobicContact CG2-CB 4.28Å; V71-A94 HydrophobicContact CB-CB 4.03Å; V71-A94 HydrophobicContact CG2-CB 3.97Å; V71-V99 HydrophobicContact CG2-CG2 3.9Å; V71-P100 PolarHBondContact N-O 2.98Å; V71-L101 HydrophobicContact CB-CD1 4.14Å; V71-L101 HydrophobicContact CG1-CD1 3.97Å; V71-L101 CarbonylContact O-C 3.49Å; V71-L101 WeakPolarHBondContact O-CA 3.5Å; V71-H102 PolarHBondContact O-N 3.12Å; V71-C192 WeakPolarHBondContact CA-O 3.44Å; V71-C192 HydrophobicContact CG2-CB 4.3Å; V71-I194 HydrophobicContact CG1-CG1 4.28Å
72L97.6Very high81.4Confident0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-108.6127.7172.9-177.564.7000110.5H102 C104 V181 I185 I190 C192 I193 I194L72-H102 CarbonylContact C-O 3.22Å; L72-H102 WeakPolarHBondContact CA-O 3.36Å; L72-H102 HydrophobicContact CD1-CB 3.76Å; L72-C104 HydrophobicContact CD1-CB 3.8Å; L72-C104 HydrophobicContact CD2-CB 4.38Å; L72-C104 HydrophobicContact CG-CB 4.45Å; L72-V181 HydrophobicContact CD2-CG1 4.46Å; L72-I185 HydrophobicContact CD2-CD1 4.24Å; L72-I185 HydrophobicContact CD2-CG1 3.66Å; L72-I190 HydrophobicContact CB-CB 4.28Å; L72-I190 HydrophobicContact CB-CD1 3.91Å; L72-I190 HydrophobicContact CB-CG1 3.87Å; L72-I190 HydrophobicContact CB-CG2 3.48Å; L72-I190 VanDerWaalsContact CB-CG2 3.48Å; L72-I190 HydrophobicContact CD2-CG1 4.45Å; L72-C192 PolarHBondContact N-O 3.49Å; L72-I193 WeakPolarHBondContact O-CA 3.3Å; L72-I194 PolarHBondContact O-N 3.39Å
73Y98.8Very high83.6Confident0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-92.3106.6157.3174.6-147.2000109.5M75 N84 A86 F87 H102 V103 C104 I194 D196Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CE 4.33Å; Y73-M75 HydrophobicContact CE1-CB 3.96Å; Y73-M75 HydrophobicContact CE1-CE 3.58Å; Y73-M75 HydrophobicContact CE1-CG 4.27Å; Y73-M75 HydrophobicContact CE2-CB 4.24Å; Y73-M75 PolarHBondContact O-N 3.03Å; Y73-N84 PolarHBondContact OH-ND2 2.9Å; Y73-A86 HydrophobicContact CD2-CB 4.18Å; Y73-A86 HydrophobicContact CE2-CB 3.55Å; Y73-F87 HydrophobicContact CD1-CB 3.65Å; Y73-F87 AromaticContact CD1-CD1 3.89Å; Y73-F87 HydrophobicContact CD1-CD1 3.89Å; Y73-F87 AromaticContact CD1-CD2 3.7Å; Y73-F87 HydrophobicContact CD1-CD2 3.7Å; Y73-F87 HydrophobicContact CD1-CE1 4.48Å; Y73-F87 HydrophobicContact CD1-CE2 4.31Å; Y73-F87 AromaticContact CD1-CG 3.48Å; Y73-F87 HydrophobicContact CD1-CG 3.48Å; Y73-F87 VanDerWaalsContact CD1-CG 3.48Å; Y73-F87 HydrophobicContact CE1-CB 3.59Å; Y73-F87 AromaticContact CE1-CD1 3.91Å; Y73-F87 HydrophobicContact CE1-CD1 3.91Å; Y73-F87 HydrophobicContact CE1-CD2 4.43Å; Y73-F87 AromaticContact CE1-CG 3.75Å; Y73-F87 HydrophobicContact CE1-CG 3.75Å; Y73-F87 HydrophobicContact CG-CD2 4.47Å; Y73-H102 PolarHBondContact N-O 3.07Å; Y73-V103 HydrophobicContact CD1-CG1 4.1Å; Y73-V103 HydrophobicContact CD1-CG2 4.33Å; Y73-V103 CarbonylContact O-C 3.4Å; Y73-V103 VanDerWaalsContact O-CA 3.25Å; Y73-V103 WeakPolarHBondContact O-CA 3.43Å; Y73-C104 PolarHBondContact O-N 3.1Å; Y73-I194 CarbonylContact C-O 3.54Å; Y73-I194 WeakPolarHBondContact CA-O 3.48Å; Y73-D196 HydrophobicContact CE2-CB 4.17Å; Y73-D196 PolarHBondContact OH-OD2 3.31Å
74W98.8Very high86Confident2 Ų225.4 Ų25.41%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-82.598.7168177.124000109.6I76 V177 V181 I194 T195 W206 I207 L210 F220W74-I76 HydrophobicContact CD2-CD1 4.08Å; W74-I76 HydrophobicContact CD2-CG1 4.18Å; W74-I76 HydrophobicContact CE3-CD1 4.34Å; W74-I76 HydrophobicContact CG-CG1 4.42Å; W74-I76 HydrophobicContact CH2-CD1 4.03Å; W74-I76 HydrophobicContact CZ2-CD1 3.72Å; W74-I76 HydrophobicContact CZ2-CG1 4.09Å; W74-I76 HydrophobicContact CZ3-CD1 4.32Å; W74-V177 HydrophobicContact CH2-CG1 4.3Å; W74-V177 HydrophobicContact CZ2-CG1 3.76Å; W74-V181 HydrophobicContact CD2-CG1 4.27Å; W74-V181 HydrophobicContact CD2-CG2 4.31Å; W74-V181 HydrophobicContact CG-CG1 4.39Å; W74-V181 HydrophobicContact CZ2-CG2 4.14Å; W74-I194 PolarHBondContact N-O 3.46Å; W74-T195 VanDerWaalsContact O-CA 3.32Å; W74-T195 WeakPolarHBondContact O-CA 3.48Å; W74-T195 WeakPolarHBondContact O-CB 2.98Å; W74-T195 PolarHBondContact O-OG1 2.94Å; W74-W206 HydrophobicContact CH2-CB 3.75Å; W74-W206 HydrophobicContact CZ2-CB 4.18Å; W74-W206 HydrophobicContact CZ2-CE3 4.44Å; W74-I207 HydrophobicContact CH2-CG1 4.01Å; W74-I207 HydrophobicContact CZ3-CB 4.47Å; W74-I207 HydrophobicContact CZ3-CG1 3.77Å; W74-L210 HydrophobicContact CE3-CD2 3.59Å; W74-L210 HydrophobicContact CH2-CD2 4.35Å; W74-L210 HydrophobicContact CZ3-CB 4.2Å; W74-L210 HydrophobicContact CZ3-CD2 3.46Å; W74-L210 VanDerWaalsContact CZ3-CD2 3.46Å; W74-L210 HydrophobicContact CZ3-CG 4.48Å; W74-F220 HydrophobicContact CE3-CE2 4.46Å; W74-F220 HydrophobicContact CE3-CZ 4Å; W74-F220 AromaticContact CZ3-CZ 3.98Å; W74-F220 HydrophobicContact CZ3-CZ 3.98Å
75M98.8Very high88.3Confident0 Ų018.4 Ų18.40%011%0.109CC..EExtended strand (participates in β ladder)trans-78.2127.2178.5-179.3-176.7-77.400109.9Y73 Q79 F87 V103 C104 F105 L126 V129 F140 D196Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CE 4.33Å; Y73-M75 HydrophobicContact CE1-CB 3.96Å; Y73-M75 HydrophobicContact CE1-CE 3.58Å; Y73-M75 HydrophobicContact CE1-CG 4.27Å; Y73-M75 HydrophobicContact CE2-CB 4.24Å; Y73-M75 PolarHBondContact O-N 3.03Å; M75-Q79 HydrophobicContact SD-CB 4.23Å; M75-Q79 HydrophobicContact SD-CG 4.28Å; M75-F87 HydrophobicContact CE-CD1 4.46Å; M75-V103 HydrophobicContact CB-CG1 4.12Å; M75-V103 HydrophobicContact CE-CG1 4.14Å; M75-C104 PolarHBondContact N-O 2.83Å; M75-F105 HydrophobicContact CB-CD2 4.37Å; M75-F105 HydrophobicContact CG-CD2 4.12Å; M75-F105 VanDerWaalsContact O-CD2 3.31Å; M75-F105 WeakPolarHBondContact O-CD2 3.35Å; M75-F105 HydrophobicContact SD-CD2 4.41Å; M75-L126 HydrophobicContact SD-CD2 4.47Å; M75-V129 HydrophobicContact CE-CG1 4.03Å; M75-V129 HydrophobicContact SD-CG1 4.35Å; M75-F140 HydrophobicContact CE-CE2 4.4Å; M75-F140 HydrophobicContact SD-CE2 4.13Å; M75-F140 HydrophobicContact SD-CZ 4.39Å; M75-D196 WeakPolarHBondContact CA-OD2 3.38Å
76I97.8Very high90.4Very high5 Ų515.3 Ų15.33%0.0269%0.088CC..SBendtrans-120.3-61.9177-57.8172.9000109.8W74 F105 T195 D196 F198 P203 W206 I207W74-I76 HydrophobicContact CD2-CD1 4.08Å; W74-I76 HydrophobicContact CD2-CG1 4.18Å; W74-I76 HydrophobicContact CE3-CD1 4.34Å; W74-I76 HydrophobicContact CG-CG1 4.42Å; W74-I76 HydrophobicContact CH2-CD1 4.03Å; W74-I76 HydrophobicContact CZ2-CD1 3.72Å; W74-I76 HydrophobicContact CZ2-CG1 4.09Å; W74-I76 HydrophobicContact CZ3-CD1 4.32Å; I76-F105 WeakPolarHBondContact O-CE2 3.49Å; I76-T195 WeakPolarHBondContact CD1-OG1 3.48Å; I76-D196 WeakPolarHBondContact CB-OD1 3.16Å; I76-D196 PolarHBondContact N-OD1 2.86Å; I76-D196 PolarHBondContact N-OD2 3.36Å; I76-F198 HydrophobicContact CG2-CD1 4.08Å; I76-P203 HydrophobicContact CG2-CB 4.27Å; I76-P203 HydrophobicContact CG2-CG 4.49Å; I76-W206 HydrophobicContact CG2-CE3 4.38Å; I76-W206 HydrophobicContact CG2-CZ3 4.01Å; I76-I207 HydrophobicContact CD1-CD1 3.84Å; I76-I207 HydrophobicContact CD1-CG1 3.91Å
77R96.8Very high92.9Very high4 Ų412.8 Ų12.82%0.0156%0.062CC..SBendtrans-100.1-40.5-174.9-171.8-174.5-172.5179.64.9113.1Q79 D196 F198 H226 Y341 G342 D379 D482R77-Q79 PolarHBondContact O-N 2.79Å; R77-Q79 VanDerWaalsContact O-N 3.1Å; R77-D196 PolarHBondContact N-OD1 3.19Å; R77-D196 PolarHBondContact N-OD2 2.64Å; R77-F198 HydrophobicContact CB-CB 4.1Å; R77-F198 HydrophobicContact CB-CD1 4.01Å; R77-F198 HydrophobicContact CB-CG 4.04Å; R77-F198 HydrophobicContact CG-CD1 4.28Å; R77-F198 HydrophobicContact CG-CD2 4.35Å; R77-F198 HydrophobicContact CG-CG 4.2Å; R77-H226 PolarHBondContact NE-CD2 3.24Å; R77-H226 PolarHBondContact NH1-CD2 3.28Å; R77-H226 PolarHBondContact NH2-CD2 2.92Å; R77-H226 PolarHBondContact NH2-NE2 2.89Å; R77-Y341 CarbonylContact O-C 3.14Å; R77-G342 WeakPolarHBondContact O-CA 3.31Å; R77-G342 PolarHBondContact O-N 3.48Å; R77-D379 IonicContact CZ-OD1 3.54Å; R77-D379 IonicContact CZ-OD2 3.49Å; R77-D379 IonicContact NH1-OD1 3.5Å; R77-D379 PolarHBondContact NH1-OD1 2.99Å; R77-D379 IonicContact NH1-OD2 2.7Å; R77-D379 PolarHBondContact NH1-OD2 3.22Å; R77-D379 IonicContact NH2-OD1 2.69Å; R77-D379 PolarHBondContact NH2-OD1 3.36Å; R77-D379 IonicContact NH2-OD2 3.42Å; R77-D482 IonicContact CZ-OD2 3.98Å; R77-D482 IonicContact NH2-OD2 3.83Å; R77-D482 PolarHBondContact NH2-OD2 3.44Å
78D98.6Very high95.1Very high0 Ų07.7 Ų7.70%04%0.035CC..  trans-9172-166-74-53.6000112.2R80 N84 D196 A225 H226 G342D78-R80 PolarHBondContact O-N 3.22Å; D78-R80 IonicContact OD1-CZ 3.61Å; D78-R80 IonicContact OD1-NH1 3.3Å; D78-R80 PolarHBondContact OD1-NH1 2.92Å; D78-R80 IonicContact OD1-NH2 3.26Å; D78-N84 PolarHBondContact O-ND2 3Å; D78-D196 HydrophobicContact CB-CB 4.47Å; D78-D196 PolarHBondContact N-OD2 3.45Å; D78-A225 VanDerWaalsContact OD2-C 3.25Å; D78-A225 VanDerWaalsContact OD2-CB 3.3Å; D78-A225 WeakPolarHBondContact OD2-CB 3.47Å; D78-H226 IonicContact OD1-CE1 3.43Å; D78-H226 IonicContact OD1-CG 2.84Å; D78-H226 IonicContact OD1-ND1 2.88Å; D78-H226 PolarHBondContact OD1-ND1 3.26Å; D78-H226 PolarHBondContact OD2-N 3.08Å; D78-G342 CarbonylContact C-O 3.59Å
79Q98.7Very high97.1Very high4 Ų44.5 Ų4.52%0.0192%0.021CC..  trans-7762.1-173.3-51.7173.111.700113.8M75 R77 F105 L126 V129 Y341 G342M75-Q79 HydrophobicContact SD-CB 4.23Å; M75-Q79 HydrophobicContact SD-CG 4.28Å; R77-Q79 PolarHBondContact O-N 2.79Å; R77-Q79 VanDerWaalsContact O-N 3.1Å; Q79-F105 HydrophobicContact CG-CE2 3.95Å; Q79-F105 VanDerWaalsContact NE2-CE2 3.31Å; Q79-L126 HydrophobicContact CB-CD2 4.07Å; Q79-L126 HydrophobicContact CG-CD2 3.92Å; Q79-V129 WeakPolarHBondContact O-CG2 3.38Å; Q79-Y341 WeakPolarHBondContact CB-O 3.41Å; Q79-Y341 VanDerWaalsContact CG-O 3.31Å; Q79-Y341 WeakPolarHBondContact CG-O 3.27Å; Q79-Y341 PolarHBondContact N-O 3.08Å; Q79-G342 CarbonylContact C-O 3.49Å; Q79-G342 PolarHBondContact N-O 3.34Å
80R98.8Very high98Very high2 Ų23.9 Ų3.91%0.0082%0.018CC..  trans-149.6152.1175.565.5-172.6-178.9-77-4.3110.4D78 Q82 D83 N84 A225 G342D78-R80 PolarHBondContact O-N 3.22Å; D78-R80 IonicContact OD1-CZ 3.61Å; D78-R80 IonicContact OD1-NH1 3.3Å; D78-R80 PolarHBondContact OD1-NH1 2.92Å; D78-R80 IonicContact OD1-NH2 3.26Å; R80-Q82 WeakPolarHBondContact CD-O 3.38Å; R80-Q82 WeakPolarHBondContact CG-O 3.37Å; R80-D83 VanDerWaalsContact CZ-O 3.3Å; R80-D83 PolarHBondContact NE-O 3.47Å; R80-D83 PolarHBondContact NH2-O 2.88Å; R80-N84 HydrophobicContact CG-CB 4.09Å; R80-N84 PolarHBondContact O-ND2 2.92Å; R80-A225 PolarHBondContact NH2-O 2.86Å; R80-G342 VanDerWaalsContact CD-O 3.24Å; R80-G342 WeakPolarHBondContact CD-O 3.35Å; R80-G342 VanDerWaalsContact CG-O 3.26Å; R80-G342 WeakPolarHBondContact CG-O 3.34Å; R80-G342 PolarHBondContact NH1-O 3.42Å
81V98.9Very high98.3Very high0 Ų03.8 Ų3.80%02%0.017CC..SBendtrans-82.8-68.6175.7-179.70000109.4N84 F87 V129 E132 L136 L263V81-N84 WeakPolarHBondContact O-CB 3.17Å; V81-F87 HydrophobicContact CB-CE1 4.19Å; V81-F87 HydrophobicContact CG1-CD1 4.4Å; V81-F87 HydrophobicContact CG1-CE1 3.95Å; V81-F87 HydrophobicContact CG2-CE1 4.07Å; V81-V129 HydrophobicContact CG2-CG1 3.95Å; V81-E132 HydrophobicContact CB-CB 4.49Å; V81-E132 HydrophobicContact CB-CG 4.04Å; V81-E132 WeakPolarHBondContact CB-OE1 3.4Å; V81-E132 WeakPolarHBondContact CB-OE2 3.34Å; V81-E132 HydrophobicContact CG1-CG 3.99Å; V81-E132 WeakPolarHBondContact CG1-OE1 3.31Å; V81-E132 HydrophobicContact CG2-CB 3.86Å; V81-E132 HydrophobicContact CG2-CG 3.94Å; V81-L136 HydrophobicContact CG1-CD1 3.58Å; V81-L263 HydrophobicContact CB-CD1 4.47Å; V81-L263 HydrophobicContact CG1-CB 4.29Å; V81-L263 HydrophobicContact CG1-CD1 3.52Å; V81-L263 WeakPolarHBondContact O-CD1 3.31Å
82Q98.7Very high98.4Very high26 Ų267.4 Ų7.412%0.1213%0.031CC..THydrogen-bonded Turntrans-70158.4178-53.2-58.7-30.200112.4R80 N84 E132 L263R80-Q82 WeakPolarHBondContact CD-O 3.38Å; R80-Q82 WeakPolarHBondContact CG-O 3.37Å; Q82-N84 PolarHBondContact O-N 3.41Å; Q82-E132 VanDerWaalsContact CG-OE1 3.3Å; Q82-E132 WeakPolarHBondContact CG-OE1 3.49Å; Q82-E132 PolarHBondContact NE2-OE1 3.23Å; Q82-L263 PolarHBondContact NE2-O 2.83Å
83D98.8Very high98.2Very high5 Ų58.8 Ų8.83%0.0274%0.038CC..THydrogen-bonded Turntrans56.130.6-178.5-56.5-13.5000113.5R21 R80 F260 A345 R348R21-D83 IonicContact CZ-OD1 3.19Å; R21-D83 VanDerWaalsContact CZ-OD1 3.29Å; R21-D83 IonicContact CZ-OD2 4Å; R21-D83 IonicContact NE-OD1 2.89Å; R21-D83 PolarHBondContact NE-OD1 3.1Å; R21-D83 IonicContact NE-OD2 3.68Å; R21-D83 IonicContact NH2-OD1 3.47Å; R21-D83 PolarHBondContact NH2-OD1 3.07Å; R21-D83 IonicContact NH2-OD2 3.42Å; R21-D83 PolarHBondContact NH2-OD2 2.86Å; R80-D83 VanDerWaalsContact CZ-O 3.3Å; R80-D83 PolarHBondContact NE-O 3.47Å; R80-D83 PolarHBondContact NH2-O 2.88Å; D83-F260 VanDerWaalsContact CA-CD1 3.49Å; D83-F260 HydrophobicContact CB-CD1 4.06Å; D83-F260 HydrophobicContact CB-CD2 3.92Å; D83-F260 HydrophobicContact CB-CE1 4.01Å; D83-F260 HydrophobicContact CB-CE2 3.92Å; D83-F260 HydrophobicContact CB-CG 3.98Å; D83-F260 HydrophobicContact CB-CZ 3.96Å; D83-F260 WeakPolarHBondContact O-CE1 3.32Å; D83-F260 WeakPolarHBondContact OD1-CB 3.48Å; D83-F260 WeakPolarHBondContact OD1-CD2 3.33Å; D83-F260 WeakPolarHBondContact OD1-CG 3.36Å; D83-A345 HydrophobicContact CB-CB 3.75Å; D83-A345 WeakPolarHBondContact O-CB 3.31Å; D83-R348 IonicContact OD1-NH2 3.04Å; D83-R348 PolarHBondContact OD1-NH2 3.39Å; D83-R348 VanDerWaalsContact OD1-NH2 3.16Å; D83-R348 IonicContact OD2-CZ 2.83Å; D83-R348 IonicContact OD2-NE 3.24Å; D83-R348 PolarHBondContact OD2-NE 2.98Å; D83-R348 IonicContact OD2-NH2 3.83Å; D83-R348 PolarHBondContact OD2-NH2 2.99Å
84N98.9Very high98Very high0 Ų08.8 Ų8.80%04%0.038CC..  trans-114.4107178.5-175-26.3000111.1Y73 D78 R80 V81 Q82 A86 F87 L88Y73-N84 PolarHBondContact OH-ND2 2.9Å; D78-N84 PolarHBondContact O-ND2 3Å; R80-N84 HydrophobicContact CG-CB 4.09Å; R80-N84 PolarHBondContact O-ND2 2.92Å; V81-N84 WeakPolarHBondContact O-CB 3.17Å; Q82-N84 PolarHBondContact O-N 3.41Å; N84-A86 VanDerWaalsContact C-N 3.29Å; N84-A86 PolarHBondContact O-N 3.22Å; N84-A86 WeakPolarHBondContact OD1-CB 3.43Å; N84-A86 PolarHBondContact OD1-N 3.1Å; N84-F87 HydrophobicContact CB-CB 3.85Å; N84-F87 PolarHBondContact O-N 2.73Å; N84-F87 PolarHBondContact OD1-N 3.15Å; N84-F87 VanDerWaalsContact OD1-N 3.13Å; N84-L88 WeakPolarHBondContact O-CB 3.46Å; N84-L88 VanDerWaalsContact O-CG 3.23Å; N84-L88 WeakPolarHBondContact O-CG 3.48Å; N84-L88 PolarHBondContact O-N 3.3Å
85W98.7Very high97.8Very high4 Ų410 Ų102%0.0154%0.044CC..Hα-helixtrans-65.7-27.4-177.5-65.2120.7000114.1F31 Y33 R37 L88 F89 V223 A225 F260F31-W85 HydrophobicContact CD1-CZ3 4.46Å; F31-W85 AromaticContact CE1-CH2 3.96Å; F31-W85 HydrophobicContact CE1-CH2 3.96Å; F31-W85 AromaticContact CE1-CZ3 3.81Å; F31-W85 HydrophobicContact CE1-CZ3 3.81Å; F31-W85 HydrophobicContact CZ-CH2 4.14Å; F31-W85 HydrophobicContact CZ-CZ3 4.42Å; Y33-W85 HydrophobicContact CD2-CE3 4.34Å; Y33-W85 AromaticContact CE2-CE3 3.93Å; Y33-W85 HydrophobicContact CE2-CE3 3.93Å; Y33-W85 WeakPolarHBondContact CE2-O 3.41Å; Y33-W85 PolarHBondContact OH-O 3.41Å; R37-W85 VanDerWaalsContact CZ-NE1 3.34Å; W85-L88 HydrophobicContact CD2-CD1 4.46Å; W85-L88 HydrophobicContact CE3-CD1 3.63Å; W85-L88 HydrophobicContact CZ3-CD1 3.78Å; W85-F89 WeakPolarHBondContact O-CB 3.43Å; W85-F89 PolarHBondContact O-N 2.84Å; W85-F89 VanDerWaalsContact O-N 3.08Å; W85-V223 HydrophobicContact CB-CG1 4.19Å; W85-A225 HydrophobicContact CB-CB 3.91Å; W85-F260 AromaticContact CD1-CE1 3.82Å; W85-F260 AromaticContact CD2-CD1 3.91Å; W85-F260 HydrophobicContact CD2-CD1 3.91Å; W85-F260 AromaticContact CD2-CE1 3.71Å; W85-F260 HydrophobicContact CD2-CE1 3.71Å; W85-F260 AromaticContact CE2-CD1 3.51Å; W85-F260 AromaticContact CE2-CE1 3.11Å; W85-F260 AromaticContact CE2-CZ 3.9Å; W85-F260 HydrophobicContact CE3-CD1 4.13Å; W85-F260 HydrophobicContact CE3-CE1 4.4Å; W85-F260 HydrophobicContact CG-CE1 4.12Å; W85-F260 AromaticContact CH2-CD1 3.59Å; W85-F260 HydrophobicContact CH2-CD1 3.59Å; W85-F260 HydrophobicContact CH2-CE1 4.07Å; W85-F260 HydrophobicContact CH2-CG 4.14Å; W85-F260 AromaticContact CZ2-CD1 3.34Å; W85-F260 HydrophobicContact CZ2-CD1 3.34Å; W85-F260 AromaticContact CZ2-CE1 3.33Å; W85-F260 HydrophobicContact CZ2-CE1 3.33Å; W85-F260 HydrophobicContact CZ2-CG 4.04Å; W85-F260 AromaticContact CZ2-CZ 3.95Å; W85-F260 HydrophobicContact CZ2-CZ 3.95Å; W85-F260 AromaticContact CZ3-CD1 3.99Å; W85-F260 HydrophobicContact CZ3-CD1 3.99Å; W85-F260 AromaticContact NE1-CE1 3.21Å; W85-F260 AromaticContact NE1-CZ 3.71Å
86A98.9Very high97.4Very high0 Ų015.4 Ų15.40%07%0.068CC..Hα-helixtrans-73.3-44.9177.700000110Y73 N84 F89 A90 D196 V223 A225Y73-A86 HydrophobicContact CD2-CB 4.18Å; Y73-A86 HydrophobicContact CE2-CB 3.55Å; N84-A86 VanDerWaalsContact C-N 3.29Å; N84-A86 PolarHBondContact O-N 3.22Å; N84-A86 WeakPolarHBondContact OD1-CB 3.43Å; N84-A86 PolarHBondContact OD1-N 3.1Å; A86-F89 PolarHBondContact O-N 2.94Å; A86-A90 PolarHBondContact O-N 3.43Å; A86-D196 HydrophobicContact CB-CB 3.96Å; A86-V223 HydrophobicContact CB-CB 3.81Å; A86-V223 HydrophobicContact CB-CG1 4.15Å; A86-V223 HydrophobicContact CB-CG2 4.4Å; A86-A225 HydrophobicContact CB-CB 3.78Å
87F98.8Very high97Very high0 Ų016.2 Ų16.20%07%0.071CC..Hα-helixtrans-66.7-41.9178.1-153.4166.7000111.8Y73 M75 V81 N84 F89 A90 Q91 L101 V103 I138 L263Y73-F87 HydrophobicContact CD1-CB 3.65Å; Y73-F87 AromaticContact CD1-CD1 3.89Å; Y73-F87 HydrophobicContact CD1-CD1 3.89Å; Y73-F87 AromaticContact CD1-CD2 3.7Å; Y73-F87 HydrophobicContact CD1-CD2 3.7Å; Y73-F87 HydrophobicContact CD1-CE1 4.48Å; Y73-F87 HydrophobicContact CD1-CE2 4.31Å; Y73-F87 AromaticContact CD1-CG 3.48Å; Y73-F87 HydrophobicContact CD1-CG 3.48Å; Y73-F87 VanDerWaalsContact CD1-CG 3.48Å; Y73-F87 HydrophobicContact CE1-CB 3.59Å; Y73-F87 AromaticContact CE1-CD1 3.91Å; Y73-F87 HydrophobicContact CE1-CD1 3.91Å; Y73-F87 HydrophobicContact CE1-CD2 4.43Å; Y73-F87 AromaticContact CE1-CG 3.75Å; Y73-F87 HydrophobicContact CE1-CG 3.75Å; Y73-F87 HydrophobicContact CG-CD2 4.47Å; M75-F87 HydrophobicContact CE-CD1 4.46Å; V81-F87 HydrophobicContact CB-CE1 4.19Å; V81-F87 HydrophobicContact CG1-CD1 4.4Å; V81-F87 HydrophobicContact CG1-CE1 3.95Å; V81-F87 HydrophobicContact CG2-CE1 4.07Å; N84-F87 HydrophobicContact CB-CB 3.85Å; N84-F87 PolarHBondContact O-N 2.73Å; N84-F87 PolarHBondContact OD1-N 3.15Å; N84-F87 VanDerWaalsContact OD1-N 3.13Å; F87-F89 VanDerWaalsContact C-N 3.32Å; F87-F89 PolarHBondContact O-N 3.06Å; F87-A90 PolarHBondContact O-N 3.05Å; F87-Q91 PolarHBondContact O-N 3.24Å; F87-L101 HydrophobicContact CD2-CD2 4.24Å; F87-L101 HydrophobicContact CE2-CD2 3.77Å; F87-L101 HydrophobicContact CE2-CG 4.4Å; F87-V103 HydrophobicContact CD2-CG2 4.33Å; F87-V103 HydrophobicContact CE1-CG2 3.95Å; F87-V103 HydrophobicContact CE2-CG2 3.42Å; F87-V103 VanDerWaalsContact CE2-CG2 3.42Å; F87-V103 HydrophobicContact CZ-CG2 3.22Å; F87-I138 HydrophobicContact CE2-CD1 4.09Å; F87-I138 HydrophobicContact CE2-CG2 4.16Å; F87-I138 HydrophobicContact CZ-CD1 4.07Å; F87-I138 HydrophobicContact CZ-CG2 4.04Å; F87-L263 HydrophobicContact CB-CD1 3.9Å; F87-L263 HydrophobicContact CD1-CD1 3.5Å; F87-L263 VanDerWaalsContact CD1-CD1 3.5Å; F87-L263 HydrophobicContact CD2-CD1 3.88Å; F87-L263 HydrophobicContact CD2-CD2 4.26Å; F87-L263 HydrophobicContact CE1-CD1 3.9Å; F87-L263 HydrophobicContact CE2-CD1 4.25Å; F87-L263 HydrophobicContact CG-CD1 3.46Å; F87-L263 VanDerWaalsContact CG-CD1 3.46Å; F87-L263 HydrophobicContact CG-CD2 4.49Å; F87-L263 HydrophobicContact CZ-CD1 4.23Å
88L98.8Very high96.7Very high1 Ų119.6 Ų19.61%0.0059%0.086CC..Hα-helixtrans-57.4-44.2171.5-76172.9000111.7V28 Y33 N84 W85 Q91 R92 F260 P261 L263V28-L88 HydrophobicContact CB-CD2 3.96Å; V28-L88 HydrophobicContact CG2-CB 3.91Å; V28-L88 HydrophobicContact CG2-CD2 4.1Å; V28-L88 WeakPolarHBondContact CG2-O 3.43Å; Y33-L88 HydrophobicContact CE2-CB 4.39Å; N84-L88 WeakPolarHBondContact O-CB 3.46Å; N84-L88 VanDerWaalsContact O-CG 3.23Å; N84-L88 WeakPolarHBondContact O-CG 3.48Å; N84-L88 PolarHBondContact O-N 3.3Å; W85-L88 HydrophobicContact CD2-CD1 4.46Å; W85-L88 HydrophobicContact CE3-CD1 3.63Å; W85-L88 HydrophobicContact CZ3-CD1 3.78Å; L88-Q91 PolarHBondContact O-N 3.37Å; L88-R92 WeakPolarHBondContact O-CB 3.4Å; L88-R92 PolarHBondContact O-N 2.94Å; L88-F260 HydrophobicContact CD1-CD1 4.13Å; L88-P261 HydrophobicContact CD1-CG 4.07Å; L88-P261 HydrophobicContact CD2-CG 3.99Å; L88-L263 HydrophobicContact CD2-CD2 4Å; L88-L263 HydrophobicContact CD2-CG 3.86Å; L88-L263 HydrophobicContact CG-CG 4.43Å
89F98.4Very high96.3Very high27 Ų2719.6 Ų19.612%0.1189%0.086CC..Hα-helixtrans-65.3-41.2176.9-171.5-118.3000112.3Y33 V38 W85 A86 F87 R92 L93 I194 C221 V223Y33-F89 HydrophobicContact CD1-CD2 4.18Å; Y33-F89 HydrophobicContact CE1-CB 4.45Å; Y33-F89 AromaticContact CE1-CD2 3.94Å; Y33-F89 HydrophobicContact CE1-CD2 3.94Å; Y33-F89 HydrophobicContact CE1-CG 4.41Å; Y33-F89 HydrophobicContact CE2-CB 3.89Å; Y33-F89 HydrophobicContact CE2-CD2 4.43Å; V38-F89 HydrophobicContact CB-CE1 4.45Å; V38-F89 HydrophobicContact CB-CZ 4.49Å; V38-F89 HydrophobicContact CG1-CD1 4.23Å; V38-F89 HydrophobicContact CG1-CE1 3.61Å; V38-F89 HydrophobicContact CG1-CZ 3.92Å; V38-F89 HydrophobicContact CG2-CD1 4.09Å; V38-F89 HydrophobicContact CG2-CD2 4.05Å; V38-F89 HydrophobicContact CG2-CE1 3.99Å; V38-F89 HydrophobicContact CG2-CE2 3.97Å; V38-F89 HydrophobicContact CG2-CG 4.12Å; V38-F89 HydrophobicContact CG2-CZ 3.94Å; W85-F89 WeakPolarHBondContact O-CB 3.43Å; W85-F89 PolarHBondContact O-N 2.84Å; W85-F89 VanDerWaalsContact O-N 3.08Å; A86-F89 PolarHBondContact O-N 2.94Å; F87-F89 VanDerWaalsContact C-N 3.32Å; F87-F89 PolarHBondContact O-N 3.06Å; F89-R92 WeakPolarHBondContact O-CB 3.37Å; F89-R92 PolarHBondContact O-N 3.4Å; F89-L93 HydrophobicContact CD1-CD1 4.2Å; F89-L93 HydrophobicContact CE1-CD1 3.7Å; F89-L93 HydrophobicContact CE1-CG 4.41Å; F89-L93 HydrophobicContact CE2-CD2 4.48Å; F89-L93 HydrophobicContact CE2-CG 4.44Å; F89-L93 HydrophobicContact CZ-CD1 3.89Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 4.24Å; F89-L93 WeakPolarHBondContact O-CG 3.4Å; F89-L93 PolarHBondContact O-N 2.61Å; F89-L93 VanDerWaalsContact O-N 3.08Å; F89-I194 HydrophobicContact CD1-CD1 3.72Å; F89-I194 HydrophobicContact CD1-CG1 4.2Å; F89-I194 HydrophobicContact CD1-CG2 4.04Å; F89-I194 HydrophobicContact CE1-CD1 3.67Å; F89-C221 HydrophobicContact CE1-CB 4.38Å; F89-V223 HydrophobicContact CB-CG2 4.26Å; F89-V223 HydrophobicContact CD1-CG2 3.84Å; F89-V223 HydrophobicContact CG-CG2 4.32Å
90A98.4Very high96Very high0 Ų020.3 Ų20.30%09%0.091CC..Hα-helixtrans-61.8-46.517600000112V71 A86 F87 R92 L93 A94 L101 I194V71-A90 HydrophobicContact CG1-CB 4.1Å; A86-A90 PolarHBondContact O-N 3.43Å; F87-A90 PolarHBondContact O-N 3.05Å; A90-R92 VanDerWaalsContact C-N 3.35Å; A90-R92 PolarHBondContact O-N 2.82Å; A90-L93 PolarHBondContact O-N 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.21Å; A90-A94 PolarHBondContact O-N 3.43Å; A90-L101 HydrophobicContact CB-CD1 3.69Å; A90-I194 HydrophobicContact CB-CB 4.09Å; A90-I194 HydrophobicContact CB-CG1 3.97Å; A90-I194 HydrophobicContact CB-CG2 4.44Å
91Q98.1Very high95.9Very high0 Ų020.3 Ų20.30%09%0.091CC..Hα-helixtrans-63.4-39.9175.2-177.4171.782.300112V28 F87 L88 L93 A94 L95 L101 L263 I264V28-Q91 HydrophobicContact CG1-CB 4.31Å; V28-Q91 HydrophobicContact CG1-CG 4.3Å; F87-Q91 PolarHBondContact O-N 3.24Å; L88-Q91 PolarHBondContact O-N 3.37Å; Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 3.06Å; Q91-A94 PolarHBondContact O-N 2.87Å; Q91-L95 HydrophobicContact CG-CD1 3.75Å; Q91-L95 HydrophobicContact CG-CG 3.98Å; Q91-L95 WeakPolarHBondContact O-CB 3.32Å; Q91-L95 VanDerWaalsContact O-CG 3.25Å; Q91-L95 WeakPolarHBondContact O-CG 3.36Å; Q91-L95 PolarHBondContact O-N 3.39Å; Q91-L101 HydrophobicContact CB-CD2 3.65Å; Q91-L101 HydrophobicContact CG-CD2 4.18Å; Q91-L263 HydrophobicContact CB-CD2 3.52Å; Q91-L263 VanDerWaalsContact CD-CD2 3.44Å; Q91-L263 HydrophobicContact CG-CD2 4.06Å; Q91-L263 VanDerWaalsContact OE1-CD2 3.29Å; Q91-I264 PolarHBondContact NE2-O 3.17Å
92R96.6Very high95.8Very high76 Ų7621 Ų2129%0.28710%0.095SC..Hα-helixtrans-56.8-45.5176.3-177.8-180172125.91112V28 F31 Y33 L88 F89 A90 K96V28-R92 HydrophobicContact CB-CB 4.49Å; V28-R92 HydrophobicContact CG1-CB 3.72Å; V28-R92 HydrophobicContact CG2-CB 4.03Å; F31-R92 PolarHBondContact O-NH1 3.26Å; Y33-R92 VanDerWaalsContact CB-NH1 3.26Å; L88-R92 WeakPolarHBondContact O-CB 3.4Å; L88-R92 PolarHBondContact O-N 2.94Å; F89-R92 WeakPolarHBondContact O-CB 3.37Å; F89-R92 PolarHBondContact O-N 3.4Å; A90-R92 VanDerWaalsContact C-N 3.35Å; A90-R92 PolarHBondContact O-N 2.82Å; R92-K96 WeakPolarHBondContact O-CB 3.42Å; R92-K96 PolarHBondContact O-N 3.09Å
93L93.8Very high95.8Very high29 Ų2919.8 Ų19.815%0.1529%0.089CC..Hα-helixtrans-68.1-44.5177.3-65.6177.8000111.4V71 F89 A90 Q91 L95 K96 F97 I194V71-L93 HydrophobicContact CG2-CB 4.28Å; F89-L93 HydrophobicContact CD1-CD1 4.2Å; F89-L93 HydrophobicContact CE1-CD1 3.7Å; F89-L93 HydrophobicContact CE1-CG 4.41Å; F89-L93 HydrophobicContact CE2-CD2 4.48Å; F89-L93 HydrophobicContact CE2-CG 4.44Å; F89-L93 HydrophobicContact CZ-CD1 3.89Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 4.24Å; F89-L93 WeakPolarHBondContact O-CG 3.4Å; F89-L93 PolarHBondContact O-N 2.61Å; F89-L93 VanDerWaalsContact O-N 3.08Å; A90-L93 PolarHBondContact O-N 3.31Å; Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 3.06Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.44Å; L93-K96 PolarHBondContact O-N 3.21Å; L93-F97 HydrophobicContact CD2-CE2 4.26Å; L93-F97 WeakPolarHBondContact O-CD2 3.23Å; L93-F97 PolarHBondContact O-N 3.39Å; L93-I194 HydrophobicContact CD1-CD1 3.7Å; L93-I194 HydrophobicContact CD1-CG1 4.27Å
94A94.1Very high95.8Very high0 Ų019.5 Ų19.50%09%0.087CC..Hα-helixtrans-60.7-40.6179.300000112.3V71 A90 Q91 K98 V99 L101 H266V71-A94 HydrophobicContact CB-CB 4.03Å; V71-A94 HydrophobicContact CG2-CB 3.97Å; A90-A94 WeakPolarHBondContact O-CB 3.21Å; A90-A94 PolarHBondContact O-N 3.43Å; Q91-A94 PolarHBondContact O-N 2.87Å; A94-K98 PolarHBondContact O-N 3.12Å; A94-V99 HydrophobicContact CB-CG2 4.34Å; A94-V99 PolarHBondContact O-N 2.92Å; A94-L101 HydrophobicContact CB-CB 3.81Å; A94-L101 HydrophobicContact CB-CD1 4.27Å; A94-H266 VanDerWaalsContact CB-CE1 3.49Å; A94-H266 WeakPolarHBondContact CB-CE1 3.43Å
95L94.3Very high95.7Very high27 Ų2719.5 Ų19.514%0.1419%0.087CC..Hα-helixtrans-65.9-46.8173.8-70.9173.7000111.7V28 S29 Q91 L93 F97 K98 I264 P267V28-L95 HydrophobicContact CG1-CD1 4.38Å; S29-L95 WeakPolarHBondContact OG-CD1 3.42Å; Q91-L95 HydrophobicContact CG-CD1 3.75Å; Q91-L95 HydrophobicContact CG-CG 3.98Å; Q91-L95 WeakPolarHBondContact O-CB 3.32Å; Q91-L95 VanDerWaalsContact O-CG 3.25Å; Q91-L95 WeakPolarHBondContact O-CG 3.36Å; Q91-L95 PolarHBondContact O-N 3.39Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.44Å; L95-F97 VanDerWaalsContact C-N 3.29Å; L95-F97 PolarHBondContact O-N 2.9Å; L95-K98 PolarHBondContact O-N 3.19Å; L95-I264 HydrophobicContact CD1-CD1 4.39Å; L95-P267 HydrophobicContact CD2-CG 3.72Å
96K90.8Very high95.7Very high113 Ų11319.5 Ų19.549%0.4919%0.088SC..Hα-helixtrans-55.6-44.7178.3178.4179.3175.5-178.60111.6E52 R92 L93E52-K96 IonicContact OE1-NZ 2.79Å; E52-K96 PolarHBondContact OE1-NZ 3.47Å; R92-K96 WeakPolarHBondContact O-CB 3.42Å; R92-K96 PolarHBondContact O-N 3.09Å; L93-K96 PolarHBondContact O-N 3.21Å
97F88.2Confident95.5Very high23 Ų2320 Ų2010%0.1019%0.09CC..THydrogen-bonded Turntrans-924.7-177.2-65.3-65.1000113.8F47 L50 H59 L93 L95 V99F47-F97 HydrophobicContact CB-CD1 4.03Å; F47-F97 HydrophobicContact CB-CD2 4.3Å; F47-F97 HydrophobicContact CB-CE1 3.67Å; F47-F97 HydrophobicContact CB-CE2 3.97Å; F47-F97 HydrophobicContact CB-CG 4.34Å; F47-F97 HydrophobicContact CB-CZ 3.66Å; F47-F97 AromaticContact CD2-CD2 3.5Å; F47-F97 HydrophobicContact CD2-CD2 3.5Å; F47-F97 VanDerWaalsContact CD2-CD2 3.5Å; F47-F97 AromaticContact CD2-CE2 3.61Å; F47-F97 HydrophobicContact CD2-CE2 3.61Å; F47-F97 HydrophobicContact CD2-CG 4.03Å; F47-F97 HydrophobicContact CD2-CZ 4.21Å; F47-F97 AromaticContact CE2-CD2 3.93Å; F47-F97 HydrophobicContact CE2-CD2 3.93Å; F47-F97 HydrophobicContact CE2-CE2 4.41Å; F47-F97 HydrophobicContact CE2-CG 4.44Å; F47-F97 HydrophobicContact CG-CD1 4.27Å; F47-F97 HydrophobicContact CG-CD2 4.02Å; F47-F97 HydrophobicContact CG-CE1 4.34Å; F47-F97 HydrophobicContact CG-CE2 4.1Å; F47-F97 HydrophobicContact CG-CG 4.12Å; F47-F97 HydrophobicContact CG-CZ 4.27Å; L50-F97 HydrophobicContact CB-CD1 3.96Å; L50-F97 HydrophobicContact CB-CE1 4.28Å; L50-F97 HydrophobicContact CD1-CB 3.82Å; L50-F97 HydrophobicContact CD1-CD1 3.78Å; L50-F97 HydrophobicContact CD1-CG 4.12Å; H59-F97 PolarHBondContact CE1-O 2.89Å; H59-F97 PolarHBondContact NE2-O 3.14Å; L93-F97 HydrophobicContact CD2-CE2 4.26Å; L93-F97 WeakPolarHBondContact O-CD2 3.23Å; L93-F97 PolarHBondContact O-N 3.39Å; L95-F97 VanDerWaalsContact C-N 3.29Å; L95-F97 PolarHBondContact O-N 2.9Å; F97-V99 HydrophobicContact CB-CG1 4.38Å; F97-V99 HydrophobicContact CB-CG2 3.99Å; F97-V99 WeakPolarHBondContact O-CG1 3.45Å; F97-V99 PolarHBondContact O-N 2.74Å
98K90.6Very high95.1Very high74 Ų7420.2 Ų20.232%0.3229%0.092SC..THydrogen-bonded Turntrans52.538.5-179.2-50.6-173.7179.1176.50114.3E56 A94 L95 Y268E56-K98 IonicContact OE1-NZ 3.35Å; E56-K98 PolarHBondContact OE1-NZ 3.19Å; A94-K98 PolarHBondContact O-N 3.12Å; L95-K98 PolarHBondContact O-N 3.19Å; K98-Y268 HydrophobicContact CB-CD1 4.43Å; K98-Y268 HydrophobicContact CB-CD2 4.38Å; K98-Y268 HydrophobicContact CB-CE1 3.84Å; K98-Y268 HydrophobicContact CB-CE2 3.8Å; K98-Y268 VanDerWaalsContact CB-CZ 3.49Å; K98-Y268 HydrophobicContact CG-CE1 4.45Å; K98-Y268 HydrophobicContact CG-CE2 4.22Å; K98-Y268 WeakPolarHBondContact CG-OH 3.34Å
99V90.4Very high94.4Very high1 Ų121.6 Ų21.61%0.00610%0.101CC..  trans-116159.5-175.9-71.40000112.2F47 M69 V71 A94 F97 H266F47-V99 HydrophobicContact CZ-CG2 4.42Å; M69-V99 HydrophobicContact CB-CG1 4.11Å; M69-V99 VanDerWaalsContact O-CB 3.24Å; M69-V99 WeakPolarHBondContact O-CB 3.11Å; M69-V99 VanDerWaalsContact O-CG1 3.25Å; M69-V99 WeakPolarHBondContact O-CG1 3.29Å; V71-V99 HydrophobicContact CG2-CG2 3.9Å; A94-V99 HydrophobicContact CB-CG2 4.34Å; A94-V99 PolarHBondContact O-N 2.92Å; F97-V99 HydrophobicContact CB-CG1 4.38Å; F97-V99 HydrophobicContact CB-CG2 3.99Å; F97-V99 WeakPolarHBondContact O-CG1 3.45Å; F97-V99 PolarHBondContact O-N 2.74Å; V99-H266 PolarHBondContact O-CE1 2.97Å; V99-H266 PolarHBondContact O-NE2 3.49Å
100P93.3Very high93.5Very high19 Ų1923.7 Ų23.712%0.12311%0.11CC..  trans-57.2146.6171-25.135.6000113.9M69 G70 V71 Y268M69-P100 WeakPolarHBondContact O-CD 3.31Å; G70-P100 WeakPolarHBondContact CA-O 3.4Å; V71-P100 PolarHBondContact N-O 2.98Å; P100-Y268 VanDerWaalsContact CA-O 3.23Å; P100-Y268 WeakPolarHBondContact CA-O 3.32Å; P100-Y268 WeakPolarHBondContact CB-O 3.49Å
101L96.1Very high93Very high1 Ų125 Ų251%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-110.6128.2171.517763.2000108.8V71 F87 A90 Q91 A94 I138 P139 H266V71-L101 HydrophobicContact CB-CD1 4.14Å; V71-L101 HydrophobicContact CG1-CD1 3.97Å; V71-L101 CarbonylContact O-C 3.49Å; V71-L101 WeakPolarHBondContact O-CA 3.5Å; F87-L101 HydrophobicContact CD2-CD2 4.24Å; F87-L101 HydrophobicContact CE2-CD2 3.77Å; F87-L101 HydrophobicContact CE2-CG 4.4Å; A90-L101 HydrophobicContact CB-CD1 3.69Å; Q91-L101 HydrophobicContact CB-CD2 3.65Å; Q91-L101 HydrophobicContact CG-CD2 4.18Å; A94-L101 HydrophobicContact CB-CB 3.81Å; A94-L101 HydrophobicContact CB-CD1 4.27Å; L101-I138 HydrophobicContact CD2-CD1 3.96Å; L101-I138 HydrophobicContact CD2-CG1 4.21Å; L101-I138 HydrophobicContact CD2-CG2 4.35Å; L101-I138 HydrophobicContact CG-CG2 4.15Å; L101-P139 VanDerWaalsContact O-CD 3.32Å; L101-P139 WeakPolarHBondContact O-CD 3.33Å; L101-H266 PolarHBondContact N-NE2 2.82Å
102H97.2Very high92.5Very high15 Ų1525.9 Ų25.97%0.06912%0.12CC..EExtended strand (participates in β ladder)trans-118.8154.2177.4-68.4-121.5000109.4V71 L72 Y73 H141 I190V71-H102 PolarHBondContact O-N 3.12Å; L72-H102 CarbonylContact C-O 3.22Å; L72-H102 WeakPolarHBondContact CA-O 3.36Å; L72-H102 HydrophobicContact CD1-CB 3.76Å; Y73-H102 PolarHBondContact N-O 3.07Å; H102-H141 AromaticContact CG-NE2 3.98Å; H102-H141 AromaticContact ND1-CD2 3.93Å; H102-H141 AromaticContact ND1-CE1 4Å; H102-H141 AromaticContact ND1-NE2 3.1Å; H102-H141 PolarHBondContact ND1-NE2 3.18Å; H102-H141 VanDerWaalsContact ND1-NE2 3.1Å; H102-I190 HydrophobicContact CB-CD1 4.12Å
103V98.5Very high92.2Very high0 Ų022.5 Ų22.50%011%0.108CC..EExtended strand (participates in β ladder)trans-123.7137.6170.5-174.80000109.3Y73 M75 F87 I138 P139 F140 H141Y73-V103 HydrophobicContact CD1-CG1 4.1Å; Y73-V103 HydrophobicContact CD1-CG2 4.33Å; Y73-V103 CarbonylContact O-C 3.4Å; Y73-V103 VanDerWaalsContact O-CA 3.25Å; Y73-V103 WeakPolarHBondContact O-CA 3.43Å; M75-V103 HydrophobicContact CB-CG1 4.12Å; M75-V103 HydrophobicContact CE-CG1 4.14Å; F87-V103 HydrophobicContact CD2-CG2 4.33Å; F87-V103 HydrophobicContact CE1-CG2 3.95Å; F87-V103 HydrophobicContact CE2-CG2 3.42Å; F87-V103 VanDerWaalsContact CE2-CG2 3.42Å; F87-V103 HydrophobicContact CZ-CG2 3.22Å; V103-I138 HydrophobicContact CG2-CG2 3.7Å; V103-P139 PolarHBondContact N-O 3.29Å; V103-F140 HydrophobicContact CB-CD2 3.61Å; V103-F140 HydrophobicContact CB-CE2 4.08Å; V103-F140 HydrophobicContact CB-CG 4.5Å; V103-F140 HydrophobicContact CG1-CD2 3.5Å; V103-F140 HydrophobicContact CG1-CE2 3.41Å; V103-F140 VanDerWaalsContact CG1-CE2 3.41Å; V103-F140 HydrophobicContact CG2-CD2 4.44Å; V103-F140 CarbonylContact O-C 3.46Å; V103-F140 WeakPolarHBondContact O-CA 3.25Å; V103-H141 PolarHBondContact O-CD2 2.97Å; V103-H141 VanDerWaalsContact O-CD2 3.28Å; V103-H141 PolarHBondContact O-N 2.8Å
104C98.1Very high91.9Very high0 Ų023.2 Ų23.20%011%0.111CC..EExtended strand (participates in β ladder)trans-124.6138.3174.1174.70000110.4L72 Y73 M75 H141 L184L72-C104 HydrophobicContact CD1-CB 3.8Å; L72-C104 HydrophobicContact CD2-CB 4.38Å; L72-C104 HydrophobicContact CG-CB 4.45Å; Y73-C104 PolarHBondContact O-N 3.1Å; M75-C104 PolarHBondContact N-O 2.83Å; C104-H141 CarbonylContact C-O 3.52Å; C104-H141 WeakPolarHBondContact CA-O 3.4Å; C104-L184 HydrophobicContact CB-CD2 3.44Å; C104-L184 VanDerWaalsContact CB-CD2 3.44Å; C104-L184 WeakPolarHBondContact SG-CD2 3.41Å
105F98.2Very high91.9Very high0 Ų023.2 Ų23.20%011%0.111CC..EExtended strand (participates in β ladder)trans-123.8124.9165.1-172.1-88.4000109.6M75 I76 Q79 L107 Q112 M122 L126 F140 H141 I142 T143M75-F105 HydrophobicContact CB-CD2 4.37Å; M75-F105 HydrophobicContact CG-CD2 4.12Å; M75-F105 VanDerWaalsContact O-CD2 3.31Å; M75-F105 WeakPolarHBondContact O-CD2 3.35Å; M75-F105 HydrophobicContact SD-CD2 4.41Å; I76-F105 WeakPolarHBondContact O-CE2 3.49Å; Q79-F105 HydrophobicContact CG-CE2 3.95Å; Q79-F105 VanDerWaalsContact NE2-CE2 3.31Å; F105-L107 HydrophobicContact CD1-CD2 4.21Å; F105-L107 HydrophobicContact CD1-CG 4.45Å; F105-L107 HydrophobicContact CE1-CD2 3.83Å; F105-L107 HydrophobicContact CE1-CG 4.46Å; F105-Q112 HydrophobicContact CZ-CG 4.25Å; F105-M122 HydrophobicContact CE1-SD 4.06Å; F105-M122 HydrophobicContact CZ-SD 3.79Å; F105-L126 HydrophobicContact CD1-CD1 3.73Å; F105-L126 HydrophobicContact CD1-CD2 4.4Å; F105-L126 HydrophobicContact CD2-CD2 3.97Å; F105-L126 HydrophobicContact CE1-CD1 3.65Å; F105-L126 HydrophobicContact CE2-CD2 4.23Å; F105-L126 HydrophobicContact CG-CD1 4.22Å; F105-L126 HydrophobicContact CG-CD2 4.06Å; F105-L126 HydrophobicContact CZ-CD1 4.09Å; F105-F140 HydrophobicContact CB-CE1 4.37Å; F105-F140 HydrophobicContact CB-CZ 3.93Å; F105-H141 PolarHBondContact N-O 3.44Å; F105-I142 HydrophobicContact CB-CD1 3.78Å; F105-I142 HydrophobicContact CD1-CD1 4.18Å; F105-I142 HydrophobicContact CG-CD1 4.4Å; F105-I142 WeakPolarHBondContact O-CA 3.34Å; F105-T143 PolarHBondContact O-N 2.85Å
106C97.1Very high92Very high3 Ų323.8 Ų23.82%0.0211%0.114CC..EExtended strand (participates in β ladder)trans-99.8118179.5-1690000110.1V108 Q112 T143 V177 V181C106-V108 PolarHBondContact O-N 2.85Å; C106-Q112 PolarHBondContact O-NE2 2.9Å; C106-T143 WeakPolarHBondContact CA-OG1 3.34Å; C106-T143 WeakPolarHBondContact CB-OG1 3.42Å; C106-T143 PolarHBondContact SG-OG1 2.82Å; C106-V177 HydrophobicContact CB-CG1 4.4Å; C106-V181 HydrophobicContact CB-CG2 4.16Å
107L94.9Very high92.3Very high11 Ų1119 Ų196%0.0589%0.092CC..EExtended strand (participates in β ladder)trans-74.1122174.7-68.3167.4000110.1F105 Y119 M122 I142 T143 S144 A145 W282F105-L107 HydrophobicContact CD1-CD2 4.21Å; F105-L107 HydrophobicContact CD1-CG 4.45Å; F105-L107 HydrophobicContact CE1-CD2 3.83Å; F105-L107 HydrophobicContact CE1-CG 4.46Å; L107-Y119 HydrophobicContact CD2-CE2 4.07Å; L107-M122 HydrophobicContact CD2-CE 3.72Å; L107-I142 HydrophobicContact CD1-CG2 3.54Å; L107-I142 HydrophobicContact CG-CG2 3.94Å; L107-T143 PolarHBondContact N-O 3.41Å; L107-S144 WeakPolarHBondContact O-CA 3.5Å; L107-A145 PolarHBondContact O-N 2.94Å; L107-W282 HydrophobicContact CD1-CB 4.32Å; L107-W282 HydrophobicContact CD1-CD2 3.93Å; L107-W282 HydrophobicContact CD1-CE3 3.42Å; L107-W282 VanDerWaalsContact CD1-CE3 3.42Å; L107-W282 HydrophobicContact CD1-CG 4.33Å; L107-W282 HydrophobicContact CD1-CZ3 4.03Å
108V91.7Very high92.7Very high5 Ų518.1 Ų18.13%0.039%0.089CC..  trans-117.8111.6-179.6-168.40000109.6C106 K110 F111 Q112 A145 H173 V177 W206C106-V108 PolarHBondContact O-N 2.85Å; V108-K110 PolarHBondContact O-N 3.2Å; V108-F111 HydrophobicContact CB-CB 4.31Å; V108-F111 HydrophobicContact CG1-CB 4.18Å; V108-F111 PolarHBondContact O-N 3.07Å; V108-Q112 VanDerWaalsContact CA-OE1 3.26Å; V108-Q112 VanDerWaalsContact CB-OE1 3.31Å; V108-Q112 PolarHBondContact O-OE1 3.26Å; V108-A145 HydrophobicContact CG1-CB 4.24Å; V108-A145 HydrophobicContact CG2-CB 4.33Å; V108-H173 HydrophobicContact CG1-CB 3.9Å; V108-V177 HydrophobicContact CB-CG2 4.46Å; V108-V177 HydrophobicContact CG1-CG2 4.16Å; V108-V177 HydrophobicContact CG2-CG2 3.47Å; V108-V177 VanDerWaalsContact CG2-CG2 3.47Å; V108-W206 HydrophobicContact CB-CH2 3.72Å; V108-W206 HydrophobicContact CB-CZ2 3.84Å; V108-W206 HydrophobicContact CG1-CH2 4.06Å; V108-W206 HydrophobicContact CG1-CZ2 3.62Å; V108-W206 HydrophobicContact CG2-CE3 4.47Å; V108-W206 HydrophobicContact CG2-CH2 3.4Å; V108-W206 HydrophobicContact CG2-CZ2 3.69Å; V108-W206 HydrophobicContact CG2-CZ3 3.86Å
109P84.3Confident93Very high29 Ų2915.3 Ų15.319%0.1888%0.076CC..BIsolated β-bridgetrans-56136.3-177.2-20.127.7000112.1F111 I146P109-F111 PolarHBondContact O-N 2.93Å; P109-I146 HydrophobicContact CB-CD1 4.2Å; P109-I146 HydrophobicContact CG-CD1 3.25Å; P109-I146 HydrophobicContact CG-CG1 3.44Å; P109-I146 VanDerWaalsContact CG-CG1 3.44Å
110K79.7Confident93.3Very high72 Ų7217.3 Ų17.331%0.3139%0.089SC..THydrogen-bonded Turntrans58.516.5174.4-53-176.9177.3-175.40115.1V108 A113V108-K110 PolarHBondContact O-N 3.2Å; K110-A113 WeakPolarHBondContact CA-O 3.45Å; K110-A113 PolarHBondContact N-O 2.9Å
111F86.6Confident93.5Very high26 Ų2616.7 Ų16.711%0.1148%0.084CC..THydrogen-bonded Turntrans-109-63.7167.5176.5-91.9000111.2V108 P109 A113 F198 L200 E202 P203 W206V108-F111 HydrophobicContact CB-CB 4.31Å; V108-F111 HydrophobicContact CG1-CB 4.18Å; V108-F111 PolarHBondContact O-N 3.07Å; P109-F111 PolarHBondContact O-N 2.93Å; F111-A113 VanDerWaalsContact C-N 3.26Å; F111-A113 PolarHBondContact O-N 3.45Å; F111-F198 HydrophobicContact CE1-CD1 4.35Å; F111-F198 AromaticContact CE1-CE1 3.75Å; F111-F198 HydrophobicContact CE1-CE1 3.75Å; F111-F198 HydrophobicContact CZ-CD1 4.29Å; F111-F198 AromaticContact CZ-CE1 3.67Å; F111-F198 HydrophobicContact CZ-CE1 3.67Å; F111-F198 HydrophobicContact CZ-CZ 4.22Å; F111-L200 HydrophobicContact CE2-CD1 4.39Å; F111-L200 HydrophobicContact CZ-CD1 4.22Å; F111-E202 HydrophobicContact CD2-CB 3.73Å; F111-E202 HydrophobicContact CD2-CG 3.9Å; F111-E202 HydrophobicContact CE2-CB 3.67Å; F111-E202 HydrophobicContact CE2-CG 4.04Å; F111-E202 WeakPolarHBondContact CE2-OE2 3.49Å; F111-E202 HydrophobicContact CZ-CB 4.43Å; F111-P203 HydrophobicContact CE1-CG 3.79Å; F111-P203 HydrophobicContact CE2-CG 4.24Å; F111-P203 HydrophobicContact CZ-CG 3.37Å; F111-W206 HydrophobicContact CB-CH2 4.31Å; F111-W206 HydrophobicContact CB-CZ2 4.21Å; F111-W206 AromaticContact CD1-CH2 3.21Å; F111-W206 HydrophobicContact CD1-CH2 3.21Å; F111-W206 AromaticContact CD1-CZ2 3.76Å; F111-W206 HydrophobicContact CD1-CZ2 3.76Å; F111-W206 HydrophobicContact CD1-CZ3 4.2Å; F111-W206 HydrophobicContact CD2-CZ2 4.37Å; F111-W206 AromaticContact CE1-CH2 3.58Å; F111-W206 HydrophobicContact CE1-CH2 3.58Å; F111-W206 HydrophobicContact CE1-CZ2 4.23Å; F111-W206 HydrophobicContact CE1-CZ3 4.2Å; F111-W206 AromaticContact CG-CH2 3.77Å; F111-W206 HydrophobicContact CG-CH2 3.77Å; F111-W206 AromaticContact CG-CZ2 3.82Å; F111-W206 HydrophobicContact CG-CZ2 3.82Å; F111-W206 HydrophobicContact CZ-CH2 4.42Å
112Q88.9Confident93.6Very high19 Ų1916.7 Ų16.79%0.0898%0.084CC..THydrogen-bonded Turntrans-72.1-25.8179.4-61.8107-19.700112.3F105 C106 V108 M122F105-Q112 HydrophobicContact CZ-CG 4.25Å; C106-Q112 PolarHBondContact O-NE2 2.9Å; V108-Q112 VanDerWaalsContact CA-OE1 3.26Å; V108-Q112 VanDerWaalsContact CB-OE1 3.31Å; V108-Q112 PolarHBondContact O-OE1 3.26Å; Q112-M122 HydrophobicContact CB-CE 4.06Å; Q112-M122 HydrophobicContact CB-SD 3.45Å; Q112-M122 WeakPolarHBondContact CB-SD 3.47Å; Q112-M122 HydrophobicContact CG-SD 4.04Å
113A88.3Confident93.6Very high6 Ų616 Ų165%0.058%0.081CC..BIsolated β-bridgetrans-149.6116.7179.500000110.5K110 F111 H118 Y119 F286K110-A113 WeakPolarHBondContact CA-O 3.45Å; K110-A113 PolarHBondContact N-O 2.9Å; F111-A113 VanDerWaalsContact C-N 3.26Å; F111-A113 PolarHBondContact O-N 3.45Å; A113-H118 HydrophobicContact CB-CB 3.6Å; A113-Y119 HydrophobicContact CB-CD2 3.86Å; A113-Y119 HydrophobicContact CB-CG 4.32Å; A113-F286 HydrophobicContact CB-CE2 4.33Å
114E87.6Confident93.6Very high44 Ų4419.7 Ų19.721%0.20610%0.098CC..SBendtrans-86.4-28.6171.4-65.7-168.4167.600111.6G288 D289 H475E114-G288 WeakPolarHBondContact O-CA 3.05Å; E114-D289 PolarHBondContact O-N 3.19Å; E114-H475 IonicContact OE2-ND1 3.21Å
115T95.2Very high93.6Very high0 Ų019.7 Ų19.70%010%0.098CC..BIsolated β-bridgetrans-125.5161.1-173.6720000113.6R117 H118 Y119 F286 D289 V292 H475T115-R117 PolarHBondContact O-N 2.87Å; T115-H118 PolarHBondContact N-ND1 2.61Å; T115-H118 PolarHBondContact O-N 3.49Å; T115-H118 VanDerWaalsContact O-N 3.15Å; T115-H118 PolarHBondContact OG1-CE1 2.76Å; T115-H118 PolarHBondContact OG1-N 3.15Å; T115-H118 PolarHBondContact OG1-ND1 2.82Å; T115-Y119 PolarHBondContact O-N 2.8Å; T115-F286 WeakPolarHBondContact O-CZ 3.42Å; T115-D289 CarbonylContact C-O 3.46Å; T115-D289 WeakPolarHBondContact CA-O 3.42Å; T115-D289 HydrophobicContact CG2-CB 4.17Å; T115-V292 HydrophobicContact CG2-CB 3.76Å; T115-V292 HydrophobicContact CG2-CG1 4.05Å; T115-V292 HydrophobicContact CG2-CG2 4.02Å; T115-H475 WeakPolarHBondContact CG2-O 3.33Å
116L95.9Very high93.6Very high39 Ų3919.7 Ų19.720%0.20410%0.098CC..Hα-helixtrans-57.1-36.7176.3-179.662.3000111.3Y119 T120 F286 D289 L290 K293 P294L116-Y119 PolarHBondContact O-N 2.99Å; L116-T120 WeakPolarHBondContact O-CB 3.45Å; L116-T120 PolarHBondContact O-N 2.95Å; L116-T120 PolarHBondContact O-OG1 3.45Å; L116-F286 HydrophobicContact CB-CE1 3.95Å; L116-F286 HydrophobicContact CD1-CD1 4.12Å; L116-F286 HydrophobicContact CD1-CE1 4.39Å; L116-D289 PolarHBondContact N-O 3.37Å; L116-L290 HydrophobicContact CB-CD2 4.36Å; L116-L290 HydrophobicContact CD1-CD2 4.45Å; L116-L290 HydrophobicContact CD2-CD2 4.4Å; L116-K293 HydrophobicContact CD2-CD 4.44Å; L116-P294 HydrophobicContact CG-CG 4.27Å
117R96.8Very high93.7Very high11 Ų1121.9 Ų21.94%0.04211%0.107CC..Hα-helixtrans-53.5-54.7173.2176.5-176.3-65.5165-2.2112.8T115 Y119 F121 V292 K293 V295 V437 R438 Y476 L478T115-R117 PolarHBondContact O-N 2.87Å; R117-Y119 VanDerWaalsContact C-N 3.34Å; R117-F121 PolarHBondContact O-N 3.47Å; R117-F121 VanDerWaalsContact O-N 3.12Å; R117-V292 HydrophobicContact CB-CG1 3.99Å; R117-V292 VanDerWaalsContact CZ-CG1 3.44Å; R117-V292 PolarHBondContact N-O 3.39Å; R117-K293 WeakPolarHBondContact CB-O 3.33Å; R117-K293 PolarHBondContact NE-O 2.75Å; R117-K293 PolarHBondContact NH2-O 3.41Å; R117-V295 HydrophobicContact CG-CG1 4.26Å; R117-V437 PolarHBondContact NH1-O 3.35Å; R117-V437 VanDerWaalsContact NH1-O 3.11Å; R117-V437 PolarHBondContact NH2-O 3.23Å; R117-R438 PolarHBondContact NH2-O 2.81Å; R117-Y476 PolarHBondContact NH1-O 3.29Å; R117-L478 HydrophobicContact CG-CD2 3.56Å; R117-L478 HydrophobicContact CG-CG 4.2Å
118H96.9Very high93.9Very high5 Ų524 Ų242%0.02312%0.117CC..Hα-helixtrans-60.4-48.1179.3-61.4132000110.5A113 T115 T120 F121 M122 Y341 D474 H475 A477A113-H118 HydrophobicContact CB-CB 3.6Å; T115-H118 PolarHBondContact N-ND1 2.61Å; T115-H118 PolarHBondContact O-N 3.49Å; T115-H118 VanDerWaalsContact O-N 3.15Å; T115-H118 PolarHBondContact OG1-CE1 2.76Å; T115-H118 PolarHBondContact OG1-N 3.15Å; T115-H118 PolarHBondContact OG1-ND1 2.82Å; H118-T120 PolarHBondContact O-N 2.92Å; H118-F121 PolarHBondContact O-N 2.95Å; H118-M122 WeakPolarHBondContact O-CB 3.31Å; H118-M122 PolarHBondContact O-N 3.08Å; H118-Y341 WeakPolarHBondContact CA-OH 3.5Å; H118-Y341 VanDerWaalsContact CB-OH 3.26Å; H118-Y341 WeakPolarHBondContact CB-OH 3.45Å; H118-D474 PolarHBondContact CE1-O 2.93Å; H118-H475 PolarHBondContact CE1-O 3.37Å; H118-H475 VanDerWaalsContact CE1-O 3.23Å; H118-A477 PolarHBondContact NE2-O 2.97Å
119Y96.3Very high94.2Very high16 Ų1624 Ų246%0.06312%0.116CC..Hα-helixtrans-63.6-44.3-175.2-165.5-111.8000112.3L107 A113 T115 L116 R117 M122 V123 W282 F286L107-Y119 HydrophobicContact CD2-CE2 4.07Å; A113-Y119 HydrophobicContact CB-CD2 3.86Å; A113-Y119 HydrophobicContact CB-CG 4.32Å; T115-Y119 PolarHBondContact O-N 2.8Å; L116-Y119 PolarHBondContact O-N 2.99Å; R117-Y119 VanDerWaalsContact C-N 3.34Å; Y119-M122 HydrophobicContact CD2-CE 3.75Å; Y119-M122 HydrophobicContact CE2-CE 3.88Å; Y119-M122 PolarHBondContact O-N 2.93Å; Y119-V123 HydrophobicContact CD1-CG2 4.08Å; Y119-V123 HydrophobicContact CD2-CG2 4.22Å; Y119-V123 HydrophobicContact CE1-CG2 3.76Å; Y119-V123 HydrophobicContact CE2-CG2 3.91Å; Y119-V123 HydrophobicContact CG-CG2 4.3Å; Y119-V123 WeakPolarHBondContact O-CB 2.87Å; Y119-V123 WeakPolarHBondContact O-CG2 3.42Å; Y119-V123 PolarHBondContact O-N 3.43Å; Y119-W282 PolarHBondContact OH-O 2.93Å; Y119-F286 HydrophobicContact CD1-CB 3.59Å; Y119-F286 AromaticContact CD1-CD2 3.59Å; Y119-F286 HydrophobicContact CD1-CD2 3.59Å; Y119-F286 HydrophobicContact CD1-CE2 4.46Å; Y119-F286 AromaticContact CD1-CG 3.63Å; Y119-F286 HydrophobicContact CD1-CG 3.63Å; Y119-F286 AromaticContact CD2-CD2 3.56Å; Y119-F286 HydrophobicContact CD2-CD2 3.56Å; Y119-F286 HydrophobicContact CD2-CE2 4.06Å; Y119-F286 HydrophobicContact CD2-CG 4.42Å; Y119-F286 HydrophobicContact CE1-CB 3.55Å; Y119-F286 HydrophobicContact CE1-CD2 4.09Å; Y119-F286 HydrophobicContact CE1-CG 4.07Å; Y119-F286 HydrophobicContact CE2-CD2 4.08Å; Y119-F286 HydrophobicContact CG-CB 4.22Å; Y119-F286 AromaticContact CG-CD2 3.28Å; Y119-F286 HydrophobicContact CG-CD2 3.28Å; Y119-F286 AromaticContact CG-CE2 3.8Å; Y119-F286 HydrophobicContact CG-CE2 3.8Å; Y119-F286 AromaticContact CG-CG 3.81Å; Y119-F286 HydrophobicContact CG-CG 3.81Å
120T96.9Very high94.9Very high43 Ų4323.3 Ų23.326%0.26411%0.111SC..Hα-helixtrans-60.9-47174.5-62.60000111.2L116 H118 M122 V123 E124 P294L116-T120 WeakPolarHBondContact O-CB 3.45Å; L116-T120 PolarHBondContact O-N 2.95Å; L116-T120 PolarHBondContact O-OG1 3.45Å; H118-T120 PolarHBondContact O-N 2.92Å; T120-M122 VanDerWaalsContact C-N 3.33Å; T120-M122 PolarHBondContact O-N 2.85Å; T120-V123 PolarHBondContact O-N 2.88Å; T120-E124 HydrophobicContact CG2-CG 4.21Å; T120-E124 WeakPolarHBondContact O-CB 3.48Å; T120-E124 VanDerWaalsContact O-CG 3.29Å; T120-E124 WeakPolarHBondContact O-CG 3.24Å; T120-E124 PolarHBondContact O-N 3.2Å; T120-P294 HydrophobicContact CG2-CB 4.1Å; T120-P294 HydrophobicContact CG2-CG 3.97Å; T120-P294 WeakPolarHBondContact OG1-CG 3.44Å
121F98.3Very high95.8Very high6 Ų625.2 Ų25.23%0.02612%0.119CC..Hα-helixtrans-61.9-41.3179.3-169-84.6000112.1R117 H118 G125 A298 P300 P337 W338 Y341 Q343 L478R117-F121 PolarHBondContact O-N 3.47Å; R117-F121 VanDerWaalsContact O-N 3.12Å; H118-F121 PolarHBondContact O-N 2.95Å; F121-G125 PolarHBondContact O-N 3.13Å; F121-A298 HydrophobicContact CD2-CB 4.33Å; F121-A298 HydrophobicContact CE2-CB 3.75Å; F121-P300 HydrophobicContact CB-CG 4.39Å; F121-P300 HydrophobicContact CD2-CB 4.07Å; F121-P300 HydrophobicContact CD2-CG 3.6Å; F121-P300 HydrophobicContact CE2-CB 4.12Å; F121-P300 HydrophobicContact CE2-CG 3.96Å; F121-P300 HydrophobicContact CG-CB 4.26Å; F121-P300 HydrophobicContact CG-CG 4.03Å; F121-P300 HydrophobicContact CZ-CB 4.4Å; F121-P300 VanDerWaalsContact O-CB 3.25Å; F121-P300 WeakPolarHBondContact O-CB 2.97Å; F121-P337 HydrophobicContact CE1-CB 4Å; F121-P337 HydrophobicContact CE2-CB 4.25Å; F121-P337 HydrophobicContact CZ-CB 3.72Å; F121-W338 HydrophobicContact CE2-CZ2 4.48Å; F121-W338 AromaticContact CZ-CD1 3.92Å; F121-W338 HydrophobicContact CZ-CD2 4.13Å; F121-W338 AromaticContact CZ-CE2 3.89Å; F121-W338 HydrophobicContact CZ-CG 4.19Å; F121-W338 HydrophobicContact CZ-CZ2 4.46Å; F121-W338 AromaticContact CZ-NE1 3.71Å; F121-Y341 AromaticContact CD1-CD2 3.32Å; F121-Y341 HydrophobicContact CD1-CD2 3.32Å; F121-Y341 AromaticContact CD1-CE2 3.52Å; F121-Y341 HydrophobicContact CD1-CE2 3.52Å; F121-Y341 HydrophobicContact CD1-CG 4.12Å; F121-Y341 AromaticContact CE1-CD2 3.55Å; F121-Y341 HydrophobicContact CE1-CD2 3.55Å; F121-Y341 HydrophobicContact CE1-CE2 4.15Å; F121-Y341 HydrophobicContact CE1-CG 4.33Å; F121-Y341 HydrophobicContact CG-CD2 4.5Å; F121-Y341 HydrophobicContact CG-CE2 4.35Å; F121-Q343 PolarHBondContact O-NE2 3.33Å; F121-L478 HydrophobicContact CB-CD2 3.92Å; F121-L478 HydrophobicContact CD2-CD1 4.48Å; F121-L478 HydrophobicContact CD2-CD2 4.3Å; F121-L478 HydrophobicContact CG-CD2 4.09Å
122M97.9Very high96.3Very high1 Ų125.9 Ų25.91%0.00512%0.123CC..Hα-helixtrans-65.7-54.2176.7-174.5-179.460.100112.1F105 L107 Q112 H118 Y119 T120 E124 G125 L126 Y341F105-M122 HydrophobicContact CE1-SD 4.06Å; F105-M122 HydrophobicContact CZ-SD 3.79Å; L107-M122 HydrophobicContact CD2-CE 3.72Å; Q112-M122 HydrophobicContact CB-CE 4.06Å; Q112-M122 HydrophobicContact CB-SD 3.45Å; Q112-M122 WeakPolarHBondContact CB-SD 3.47Å; Q112-M122 HydrophobicContact CG-SD 4.04Å; H118-M122 WeakPolarHBondContact O-CB 3.31Å; H118-M122 PolarHBondContact O-N 3.08Å; Y119-M122 HydrophobicContact CD2-CE 3.75Å; Y119-M122 HydrophobicContact CE2-CE 3.88Å; Y119-M122 PolarHBondContact O-N 2.93Å; T120-M122 VanDerWaalsContact C-N 3.33Å; T120-M122 PolarHBondContact O-N 2.85Å; M122-E124 PolarHBondContact O-N 3.37Å; M122-G125 WeakPolarHBondContact O-CA 3.45Å; M122-G125 PolarHBondContact O-N 3.06Å; M122-G125 VanDerWaalsContact O-N 3.1Å; M122-L126 HydrophobicContact CG-CD1 3.94Å; M122-L126 HydrophobicContact CG-CG 4.4Å; M122-L126 WeakPolarHBondContact O-CG 3.36Å; M122-L126 PolarHBondContact O-N 3.47Å; M122-L126 HydrophobicContact SD-CD1 4.48Å; M122-Y341 HydrophobicContact CB-CD1 3.86Å; M122-Y341 HydrophobicContact CB-CE1 3.59Å; M122-Y341 HydrophobicContact CG-CD1 3.89Å; M122-Y341 HydrophobicContact CG-CE1 3.94Å; M122-Y341 HydrophobicContact SD-CE1 4.28Å
123V97.6Very high96.7Very high1 Ų125 Ų251%0.00612%0.119CC..Hα-helixtrans-64.4-40.7-173.3167.80000111.8Y119 T120 G125 L126 K127 W279 I283Y119-V123 HydrophobicContact CD1-CG2 4.08Å; Y119-V123 HydrophobicContact CD2-CG2 4.22Å; Y119-V123 HydrophobicContact CE1-CG2 3.76Å; Y119-V123 HydrophobicContact CE2-CG2 3.91Å; Y119-V123 HydrophobicContact CG-CG2 4.3Å; Y119-V123 WeakPolarHBondContact O-CB 2.87Å; Y119-V123 WeakPolarHBondContact O-CG2 3.42Å; Y119-V123 PolarHBondContact O-N 3.43Å; T120-V123 PolarHBondContact O-N 2.88Å; V123-G125 VanDerWaalsContact C-N 3.27Å; V123-G125 PolarHBondContact O-N 3.34Å; V123-L126 PolarHBondContact O-N 3.31Å; V123-K127 WeakPolarHBondContact O-CG 3.33Å; V123-K127 PolarHBondContact O-N 2.89Å; V123-W279 HydrophobicContact CG1-CE3 3.61Å; V123-W279 HydrophobicContact CG1-CZ3 3.92Å; V123-I283 HydrophobicContact CG1-CD1 4.12Å; V123-I283 HydrophobicContact CG1-CG1 3.81Å
124E98.1Very high97.1Very high76 Ų7629 Ų2936%0.35513%0.132SC..Hα-helixtrans-64.7-33.6175.4-65.7-54.3135.100112T120 M122 K127 E128 P300T120-E124 HydrophobicContact CG2-CG 4.21Å; T120-E124 WeakPolarHBondContact O-CB 3.48Å; T120-E124 VanDerWaalsContact O-CG 3.29Å; T120-E124 WeakPolarHBondContact O-CG 3.24Å; T120-E124 PolarHBondContact O-N 3.2Å; M122-E124 PolarHBondContact O-N 3.37Å; E124-K127 IonicContact OE1-NZ 3.03Å; E124-K127 PolarHBondContact OE1-NZ 3Å; E124-K127 WeakPolarHBondContact OE2-CD 3.39Å; E124-K127 IonicContact OE2-NZ 3.29Å; E124-K127 PolarHBondContact OE2-NZ 2.81Å; E124-E128 PolarHBondContact O-N 2.85Å; E124-P300 HydrophobicContact CB-CB 3.86Å; E124-P300 HydrophobicContact CB-CG 3.83Å
125G98.7Very high97.5Very high0 Ų032.4 Ų32.40%015%0.148CC..Hα-helixtrans-66.4-43.5170.600000112.7F121 M122 V123 K127 E128 V129F121-G125 PolarHBondContact O-N 3.13Å; M122-G125 WeakPolarHBondContact O-CA 3.45Å; M122-G125 PolarHBondContact O-N 3.06Å; M122-G125 VanDerWaalsContact O-N 3.1Å; V123-G125 VanDerWaalsContact C-N 3.27Å; V123-G125 PolarHBondContact O-N 3.34Å; G125-K127 VanDerWaalsContact C-N 3.29Å; G125-K127 PolarHBondContact O-N 2.98Å; G125-E128 WeakPolarHBondContact O-CB 3.35Å; G125-E128 PolarHBondContact O-N 3.32Å; G125-E128 VanDerWaalsContact O-N 3.11Å; G125-V129 PolarHBondContact O-N 3.28Å; G125-V129 VanDerWaalsContact O-N 3.14Å
126L98.7Very high97.6Very high0 Ų033.6 Ų33.60%016%0.155CC..Hα-helixtrans-66.1-29.6177.7-67.3169.3000112.9M75 Q79 F105 M122 V123 E128 V129 E130 F140 W279M75-L126 HydrophobicContact SD-CD2 4.47Å; Q79-L126 HydrophobicContact CB-CD2 4.07Å; Q79-L126 HydrophobicContact CG-CD2 3.92Å; F105-L126 HydrophobicContact CD1-CD1 3.73Å; F105-L126 HydrophobicContact CD1-CD2 4.4Å; F105-L126 HydrophobicContact CD2-CD2 3.97Å; F105-L126 HydrophobicContact CE1-CD1 3.65Å; F105-L126 HydrophobicContact CE2-CD2 4.23Å; F105-L126 HydrophobicContact CG-CD1 4.22Å; F105-L126 HydrophobicContact CG-CD2 4.06Å; F105-L126 HydrophobicContact CZ-CD1 4.09Å; M122-L126 HydrophobicContact CG-CD1 3.94Å; M122-L126 HydrophobicContact CG-CG 4.4Å; M122-L126 WeakPolarHBondContact O-CG 3.36Å; M122-L126 PolarHBondContact O-N 3.47Å; M122-L126 HydrophobicContact SD-CD1 4.48Å; V123-L126 PolarHBondContact O-N 3.31Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-V129 PolarHBondContact O-N 2.74Å; L126-E130 PolarHBondContact O-N 2.89Å; L126-F140 HydrophobicContact CD2-CZ 4.1Å; L126-W279 HydrophobicContact CB-CH2 3.47Å; L126-W279 VanDerWaalsContact CB-CH2 3.47Å; L126-W279 HydrophobicContact CB-CZ2 4.23Å; L126-W279 HydrophobicContact CB-CZ3 4.09Å
127K98.6Very high97.6Very high50 Ų5032.3 Ų32.322%0.21715%0.149CC..Hα-helixtrans-60-41.9169.9-76174.3179.6175.90112V123 E124 G125 V129 K131 W279V123-K127 WeakPolarHBondContact O-CG 3.33Å; V123-K127 PolarHBondContact O-N 2.89Å; E124-K127 IonicContact OE1-NZ 3.03Å; E124-K127 PolarHBondContact OE1-NZ 3Å; E124-K127 WeakPolarHBondContact OE2-CD 3.39Å; E124-K127 IonicContact OE2-NZ 3.29Å; E124-K127 PolarHBondContact OE2-NZ 2.81Å; G125-K127 VanDerWaalsContact C-N 3.29Å; G125-K127 PolarHBondContact O-N 2.98Å; K127-V129 VanDerWaalsContact C-N 3.34Å; K127-K131 WeakPolarHBondContact O-CB 3.45Å; K127-K131 PolarHBondContact O-N 2.85Å; K127-K131 VanDerWaalsContact O-N 3.1Å; K127-W279 HydrophobicContact CD-CB 4.49Å; K127-W279 HydrophobicContact CD-CD2 4.43Å; K127-W279 HydrophobicContact CD-CG 4.18Å; K127-W279 VanDerWaalsContact CE-CB 3.45Å; K127-W279 HydrophobicContact CG-CB 4.4Å; K127-W279 HydrophobicContact CG-CD2 3.5Å; K127-W279 VanDerWaalsContact CG-CE2 3.49Å; K127-W279 HydrophobicContact CG-CE3 4.15Å; K127-W279 HydrophobicContact CG-CG 3.61Å; K127-W279 HydrophobicContact CG-CZ2 4.12Å
128E98.6Very high97.6Very high56 Ų5631.8 Ų31.826%0.26215%0.147SC..Hα-helixtrans-63.5-42.6175.2-169.3178.8136.700110.7E124 G125 L126 K131 E132 G301 T302 S303E124-E128 PolarHBondContact O-N 2.85Å; G125-E128 WeakPolarHBondContact O-CB 3.35Å; G125-E128 PolarHBondContact O-N 3.32Å; G125-E128 VanDerWaalsContact O-N 3.11Å; L126-E128 VanDerWaalsContact C-N 3.32Å; E128-K131 PolarHBondContact O-N 3.04Å; E128-E132 PolarHBondContact O-N 3.23Å; E128-G301 WeakPolarHBondContact OE2-CA 3.42Å; E128-T302 WeakPolarHBondContact OE1-CA 3.38Å; E128-T302 VanDerWaalsContact OE1-CB 3.27Å; E128-T302 WeakPolarHBondContact OE1-CB 3.34Å; E128-T302 PolarHBondContact OE1-N 2.79Å; E128-T302 VanDerWaalsContact OE1-N 3.08Å; E128-T302 PolarHBondContact OE2-N 2.91Å; E128-S303 PolarHBondContact OE1-N 2.84Å
129V98.8Very high97.6Very high3 Ų331.8 Ų31.82%0.01815%0.147CC..Hα-helixtrans-62.5-47.5176.4176.30000112.2M75 Q79 V81 G125 L126 K127 K131 E132 C133 F140M75-V129 HydrophobicContact CE-CG1 4.03Å; M75-V129 HydrophobicContact SD-CG1 4.35Å; Q79-V129 WeakPolarHBondContact O-CG2 3.38Å; V81-V129 HydrophobicContact CG2-CG1 3.95Å; G125-V129 PolarHBondContact O-N 3.28Å; G125-V129 VanDerWaalsContact O-N 3.14Å; L126-V129 PolarHBondContact O-N 2.74Å; K127-V129 VanDerWaalsContact C-N 3.34Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 2.92Å; V129-E132 PolarHBondContact O-N 3.35Å; V129-C133 WeakPolarHBondContact O-CB 3.28Å; V129-C133 PolarHBondContact O-N 3.14Å; V129-C133 PolarHBondContact O-SG 3.29Å; V129-F140 HydrophobicContact CG1-CD2 3.98Å; V129-F140 HydrophobicContact CG1-CE2 3.48Å; V129-F140 VanDerWaalsContact CG1-CE2 3.48Å; V129-F140 HydrophobicContact CG1-CZ 4.04Å
130E98.3Very high97.7Very high16 Ų1631.8 Ų31.88%0.07515%0.148CC..Hα-helixtrans-58.6-45.2177.8175.2-81.7150.100111L126 C133 R134 F140 I277 W279L126-E130 PolarHBondContact O-N 2.89Å; E130-C133 PolarHBondContact O-N 3.1Å; E130-R134 WeakPolarHBondContact O-CB 3.32Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE1-CZ 3.05Å; E130-R134 IonicContact OE1-NE 2.66Å; E130-R134 PolarHBondContact OE1-NE 3Å; E130-R134 IonicContact OE1-NH2 3.58Å; E130-R134 IonicContact OE2-NH2 3.87Å; E130-F140 HydrophobicContact CB-CB 4.48Å; E130-F140 HydrophobicContact CB-CD1 4Å; E130-F140 HydrophobicContact CB-CG 4.36Å; E130-F140 HydrophobicContact CG-CB 4.41Å; E130-F140 HydrophobicContact CG-CD1 4.43Å; E130-I277 HydrophobicContact CB-CD1 4.46Å; E130-I277 HydrophobicContact CG-CB 4.43Å; E130-I277 HydrophobicContact CG-CD1 3.83Å; E130-I277 HydrophobicContact CG-CG1 3.99Å; E130-W279 HydrophobicContact CB-CZ2 3.89Å; E130-W279 HydrophobicContact CG-CZ2 4.49Å
131K97.9Very high97.7Very high111 Ų11131.6 Ų31.648%0.48314%0.143SC..Hα-helixtrans-60.4-49.1179-178.8-176.3170.8-170.60111.4K127 E128 V129 R134 E135K127-K131 WeakPolarHBondContact O-CB 3.45Å; K127-K131 PolarHBondContact O-N 2.85Å; K127-K131 VanDerWaalsContact O-N 3.1Å; E128-K131 PolarHBondContact O-N 3.04Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 2.92Å; K131-R134 PolarHBondContact O-N 2.84Å; K131-E135 WeakPolarHBondContact CE-OE1 3.36Å; K131-E135 WeakPolarHBondContact O-CG 3.2Å; K131-E135 PolarHBondContact O-N 2.74Å
132E98Very high97.6Very high41 Ų4132.2 Ų32.219%0.19215%0.147CC..Hα-helixtrans-65.7-40.4179.1-173.5179.7169.800111.3V81 Q82 E128 V129 R134 E135 L136V81-E132 HydrophobicContact CB-CB 4.49Å; V81-E132 HydrophobicContact CB-CG 4.04Å; V81-E132 WeakPolarHBondContact CB-OE1 3.4Å; V81-E132 WeakPolarHBondContact CB-OE2 3.34Å; V81-E132 HydrophobicContact CG1-CG 3.99Å; V81-E132 WeakPolarHBondContact CG1-OE1 3.31Å; V81-E132 HydrophobicContact CG2-CB 3.86Å; V81-E132 HydrophobicContact CG2-CG 3.94Å; Q82-E132 VanDerWaalsContact CG-OE1 3.3Å; Q82-E132 WeakPolarHBondContact CG-OE1 3.49Å; Q82-E132 PolarHBondContact NE2-OE1 3.23Å; E128-E132 PolarHBondContact O-N 3.23Å; V129-E132 PolarHBondContact O-N 3.35Å; E132-R134 VanDerWaalsContact C-N 3.31Å; E132-R134 PolarHBondContact O-N 3.16Å; E132-E135 PolarHBondContact O-N 3.25Å; E132-L136 HydrophobicContact CG-CD1 4.26Å; E132-L136 WeakPolarHBondContact O-CG 3.3Å; E132-L136 PolarHBondContact O-N 3.03Å
133C98.3Very high97.4Very high0 Ų033 Ų330%015%0.152CC..Hα-helixtrans-57.9-43.5174.3-70.90000111.7V129 E130 L136 C137 I138 F140V129-C133 WeakPolarHBondContact O-CB 3.28Å; V129-C133 PolarHBondContact O-N 3.14Å; V129-C133 PolarHBondContact O-SG 3.29Å; E130-C133 PolarHBondContact O-N 3.1Å; C133-L136 CarbonylContact O-C 3.59Å; C133-L136 WeakPolarHBondContact O-CA 3.25Å; C133-L136 PolarHBondContact O-N 3.36Å; C133-C137 PolarHBondContact O-N 2.92Å; C133-I138 CarbonylContact C-O 3.56Å; C133-I138 HydrophobicContact CB-CB 4.34Å; C133-I138 WeakPolarHBondContact CB-O 3.32Å; C133-I138 PolarHBondContact O-N 3.35Å; C133-F140 HydrophobicContact CB-CB 4.1Å; C133-F140 HydrophobicContact CB-CD2 4.48Å
134R95.9Very high97.2Very high89 Ų8934.4 Ų34.434%0.33616%0.161SC..Hα-helixtrans-65.4-41.3177.9-176.616348.569.66112.5E130 K131 E132 L136 C137 L274E130-R134 WeakPolarHBondContact O-CB 3.32Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE1-CZ 3.05Å; E130-R134 IonicContact OE1-NE 2.66Å; E130-R134 PolarHBondContact OE1-NE 3Å; E130-R134 IonicContact OE1-NH2 3.58Å; E130-R134 IonicContact OE2-NH2 3.87Å; K131-R134 PolarHBondContact O-N 2.84Å; E132-R134 VanDerWaalsContact C-N 3.31Å; E132-R134 PolarHBondContact O-N 3.16Å; R134-L136 PolarHBondContact O-N 3.3Å; R134-C137 PolarHBondContact O-N 3.35Å; R134-L274 WeakPolarHBondContact CD-O 3.48Å; R134-L274 HydrophobicContact CG-CB 4.39Å
135E95.6Very high96.6Very high116 Ų11631 Ų3154%0.54215%0.146SC..Hα-helixtrans-60.5-36.3172.6-71.8171.5-175.300111.6K131 E132 C137K131-E135 WeakPolarHBondContact CE-OE1 3.36Å; K131-E135 WeakPolarHBondContact O-CG 3.2Å; K131-E135 PolarHBondContact O-N 2.74Å; E132-E135 PolarHBondContact O-N 3.25Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 2.86Å
136L97.4Very high95.7Very high26 Ų2634.4 Ų34.414%0.13616%0.164CC..THydrogen-bonded Turntrans-83.56.7174.7-61.4179.9000114.1V81 E132 C133 R134 I138 L263 R265 H266V81-L136 HydrophobicContact CG1-CD1 3.58Å; E132-L136 HydrophobicContact CG-CD1 4.26Å; E132-L136 WeakPolarHBondContact O-CG 3.3Å; E132-L136 PolarHBondContact O-N 3.03Å; C133-L136 CarbonylContact O-C 3.59Å; C133-L136 WeakPolarHBondContact O-CA 3.25Å; C133-L136 PolarHBondContact O-N 3.36Å; R134-L136 PolarHBondContact O-N 3.3Å; L136-I138 VanDerWaalsContact C-N 3.31Å; L136-I138 HydrophobicContact CB-CD1 3.9Å; L136-I138 HydrophobicContact CB-CG1 4.33Å; L136-I138 HydrophobicContact CD1-CD1 4.48Å; L136-I138 PolarHBondContact O-N 3.04Å; L136-L263 HydrophobicContact CD1-CB 4.16Å; L136-R265 CarbonylContact O-C 3.37Å; L136-R265 VanDerWaalsContact O-CA 3.31Å; L136-R265 WeakPolarHBondContact O-CA 3.19Å; L136-H266 PolarHBondContact O-N 3.1Å
137C96.8Very high93.7Very high12 Ų1238.3 Ų38.38%0.08119%0.188CC..THydrogen-bonded Turntrans55.544-178.2-63.20000113.3C133 R134 E135 R265 C269 L274C133-C137 PolarHBondContact O-N 2.92Å; R134-C137 PolarHBondContact O-N 3.35Å; E135-C137 VanDerWaalsContact C-N 3.28Å; E135-C137 PolarHBondContact O-N 2.86Å; C137-R265 HydrophobicContact CB-CG 4.09Å; C137-R265 PolarHBondContact SG-NE 3.42Å; C137-R265 PolarHBondContact SG-NH2 3.23Å; C137-C269 HydrophobicContact CB-CB 3.74Å; C137-C269 VanDerWaalsContact O-CB 3.28Å; C137-C269 WeakPolarHBondContact O-CB 3.36Å; C137-C269 PolarHBondContact O-SG 2.89Å; C137-L274 HydrophobicContact CB-CD1 4.37Å
138I97.1Very high91.4Very high0 Ų042.6 Ų42.60%021%0.213CC..  trans-120.2112.7176-63.9164000107.4F87 L101 V103 C133 L136 F140 H266F87-I138 HydrophobicContact CE2-CD1 4.09Å; F87-I138 HydrophobicContact CE2-CG2 4.16Å; F87-I138 HydrophobicContact CZ-CD1 4.07Å; F87-I138 HydrophobicContact CZ-CG2 4.04Å; L101-I138 HydrophobicContact CD2-CD1 3.96Å; L101-I138 HydrophobicContact CD2-CG1 4.21Å; L101-I138 HydrophobicContact CD2-CG2 4.35Å; L101-I138 HydrophobicContact CG-CG2 4.15Å; V103-I138 HydrophobicContact CG2-CG2 3.7Å; C133-I138 CarbonylContact C-O 3.56Å; C133-I138 HydrophobicContact CB-CB 4.34Å; C133-I138 WeakPolarHBondContact CB-O 3.32Å; C133-I138 PolarHBondContact O-N 3.35Å; L136-I138 VanDerWaalsContact C-N 3.31Å; L136-I138 HydrophobicContact CB-CD1 3.9Å; L136-I138 HydrophobicContact CB-CG1 4.33Å; L136-I138 HydrophobicContact CD1-CD1 4.48Å; L136-I138 PolarHBondContact O-N 3.04Å; I138-F140 PolarHBondContact O-N 2.96Å; I138-H266 HydrophobicContact CD1-CB 4.4Å; I138-H266 HydrophobicContact CG1-CB 3.74Å
139P96.4Very high88.8Confident4 Ų444.6 Ų44.63%0.02623%0.233CC..  trans-58.3126.5174.5-30.238.8000112.6L101 V103 H141 S273 L274L101-P139 VanDerWaalsContact O-CD 3.32Å; L101-P139 WeakPolarHBondContact O-CD 3.33Å; V103-P139 PolarHBondContact N-O 3.29Å; P139-H141 WeakPolarHBondContact CB-NE2 3.27Å; P139-S273 WeakPolarHBondContact CB-O 3.32Å; P139-S273 VanDerWaalsContact CG-OG 3.29Å; P139-S273 WeakPolarHBondContact CG-OG 3.08Å; P139-L274 HydrophobicContact CG-CD2 4.1Å
140F97.4Very high86.1Confident17 Ų1748.5 Ų48.58%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-108.9126.3174.8-166.9-92.7000109.5M75 V103 F105 L126 V129 E130 C133 I138 I142 I277M75-F140 HydrophobicContact CE-CE2 4.4Å; M75-F140 HydrophobicContact SD-CE2 4.13Å; M75-F140 HydrophobicContact SD-CZ 4.39Å; V103-F140 HydrophobicContact CB-CD2 3.61Å; V103-F140 HydrophobicContact CB-CE2 4.08Å; V103-F140 HydrophobicContact CB-CG 4.5Å; V103-F140 HydrophobicContact CG1-CD2 3.5Å; V103-F140 HydrophobicContact CG1-CE2 3.41Å; V103-F140 VanDerWaalsContact CG1-CE2 3.41Å; V103-F140 HydrophobicContact CG2-CD2 4.44Å; V103-F140 CarbonylContact O-C 3.46Å; V103-F140 WeakPolarHBondContact O-CA 3.25Å; F105-F140 HydrophobicContact CB-CE1 4.37Å; F105-F140 HydrophobicContact CB-CZ 3.93Å; L126-F140 HydrophobicContact CD2-CZ 4.1Å; V129-F140 HydrophobicContact CG1-CD2 3.98Å; V129-F140 HydrophobicContact CG1-CE2 3.48Å; V129-F140 VanDerWaalsContact CG1-CE2 3.48Å; V129-F140 HydrophobicContact CG1-CZ 4.04Å; E130-F140 HydrophobicContact CB-CB 4.48Å; E130-F140 HydrophobicContact CB-CD1 4Å; E130-F140 HydrophobicContact CB-CG 4.36Å; E130-F140 HydrophobicContact CG-CB 4.41Å; E130-F140 HydrophobicContact CG-CD1 4.43Å; C133-F140 HydrophobicContact CB-CB 4.1Å; C133-F140 HydrophobicContact CB-CD2 4.48Å; I138-F140 PolarHBondContact O-N 2.96Å; F140-I142 HydrophobicContact CD1-CD1 4.3Å; F140-I142 HydrophobicContact CE1-CD1 3.52Å; F140-I142 HydrophobicContact CE1-CG1 4.28Å; F140-I142 HydrophobicContact CZ-CD1 4.33Å; F140-I277 HydrophobicContact CD1-CD1 3.68Å; F140-I277 HydrophobicContact CE1-CD1 4.46Å; F140-I277 WeakPolarHBondContact O-CD1 3.2Å
141H96.6Very high83Confident38 Ų3852.5 Ų52.518%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-116.5133.2-174.5-57.7-84.6000109.7H102 V103 C104 F105 P139 L184H102-H141 AromaticContact CG-NE2 3.98Å; H102-H141 AromaticContact ND1-CD2 3.93Å; H102-H141 AromaticContact ND1-CE1 4Å; H102-H141 AromaticContact ND1-NE2 3.1Å; H102-H141 PolarHBondContact ND1-NE2 3.18Å; H102-H141 VanDerWaalsContact ND1-NE2 3.1Å; V103-H141 PolarHBondContact O-CD2 2.97Å; V103-H141 VanDerWaalsContact O-CD2 3.28Å; V103-H141 PolarHBondContact O-N 2.8Å; C104-H141 CarbonylContact C-O 3.52Å; C104-H141 WeakPolarHBondContact CA-O 3.4Å; F105-H141 PolarHBondContact N-O 3.44Å; P139-H141 WeakPolarHBondContact CB-NE2 3.27Å; H141-L184 HydrophobicContact CB-CD1 4.09Å; H141-L184 HydrophobicContact CB-CD2 3.68Å
142I96.2Very high79.9Confident20 Ų2054.4 Ų54.410%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-103.6130.6165.6-62.1-58.7000108.8F105 L107 F140 I277 W279 W282F105-I142 HydrophobicContact CB-CD1 3.78Å; F105-I142 HydrophobicContact CD1-CD1 4.18Å; F105-I142 HydrophobicContact CG-CD1 4.4Å; F105-I142 WeakPolarHBondContact O-CA 3.34Å; L107-I142 HydrophobicContact CD1-CG2 3.54Å; L107-I142 HydrophobicContact CG-CG2 3.94Å; F140-I142 HydrophobicContact CD1-CD1 4.3Å; F140-I142 HydrophobicContact CE1-CD1 3.52Å; F140-I142 HydrophobicContact CE1-CG1 4.28Å; F140-I142 HydrophobicContact CZ-CD1 4.33Å; I142-I277 HydrophobicContact CG1-CD1 3.84Å; I142-I277 HydrophobicContact CG1-CG2 4.3Å; I142-W279 HydrophobicContact CD1-CH2 4Å; I142-W279 HydrophobicContact CD1-CZ3 4.44Å; I142-W279 HydrophobicContact CG1-CH2 4.04Å; I142-W279 HydrophobicContact CG1-CZ3 4.32Å; I142-W282 HydrophobicContact CB-CD2 4.28Å; I142-W282 HydrophobicContact CB-CZ2 3.8Å; I142-W282 HydrophobicContact CG2-CD2 3.52Å; I142-W282 HydrophobicContact CG2-CE3 3.87Å; I142-W282 HydrophobicContact CG2-CG 4.11Å; I142-W282 HydrophobicContact CG2-CH2 3.82Å; I142-W282 HydrophobicContact CG2-CZ2 3.48Å; I142-W282 VanDerWaalsContact CG2-CZ2 3.48Å; I142-W282 HydrophobicContact CG2-CZ3 4.01Å; I142-W282 WeakPolarHBondContact O-CZ2 3.08Å
143T95.1Very high76.9Confident17 Ų1760 Ų6010%0.10434%0.337CS..EExtended strand (participates in β ladder)trans-121.1174.5168.967.80000110F105 C106 L107 S180 L184F105-T143 PolarHBondContact O-N 2.85Å; C106-T143 WeakPolarHBondContact CA-OG1 3.34Å; C106-T143 WeakPolarHBondContact CB-OG1 3.42Å; C106-T143 PolarHBondContact SG-OG1 2.82Å; L107-T143 PolarHBondContact N-O 3.41Å; T143-S180 WeakPolarHBondContact CB-OG 3.3Å; T143-L184 HydrophobicContact CG2-CB 4.2Å; T143-L184 HydrophobicContact CG2-CD2 4.1Å
144S92.1Very high73.6Confident30 Ų3067.7 Ų67.721%0.2137%0.373CS..EExtended strand (participates in β ladder)trans-140148.3177.7174.20000111.6L107 I146 S180L107-S144 WeakPolarHBondContact O-CA 3.5Å; S144-I146 VanDerWaalsContact C-N 3.26Å; S144-I146 PolarHBondContact OG-N 3.2Å; S144-I146 VanDerWaalsContact OG-N 3.17Å; S144-S180 PolarHBondContact N-OG 3.47Å; S144-S180 WeakPolarHBondContact O-CB 3.42Å; S144-S180 PolarHBondContact O-OG 2.93Å
145A87Confident70.5Confident4 Ų469.5 Ų69.53%0.03340%0.396CS..SBendtrans-75.8-10.217400000113.6L107 V108 H173 T176 V177L107-A145 PolarHBondContact O-N 2.94Å; V108-A145 HydrophobicContact CG1-CB 4.24Å; V108-A145 HydrophobicContact CG2-CB 4.33Å; A145-H173 HydrophobicContact CB-CB 4.22Å; A145-T176 WeakPolarHBondContact O-CB 3.49Å; A145-T176 PolarHBondContact O-OG1 3.31Å; A145-V177 HydrophobicContact CB-CG2 3.63Å
146I78.2Confident67.7Low73 Ų7368 Ų6837%0.37439%0.394SS..  trans-95.9117.6174.5-60.4173.1000108.9P109 S144P109-I146 HydrophobicContact CB-CD1 4.2Å; P109-I146 HydrophobicContact CG-CD1 3.25Å; P109-I146 HydrophobicContact CG-CG1 3.44Å; P109-I146 VanDerWaalsContact CG-CG1 3.44Å; S144-I146 VanDerWaalsContact C-N 3.26Å; S144-I146 PolarHBondContact OG-N 3.2Å; S144-I146 VanDerWaalsContact OG-N 3.17Å
147T57.2Low64.5Low81 Ų8175 Ų7550%0.49742%0.424SS..  trans-79.9143.1163.7550000109.4S149 S150T147-S149 PolarHBondContact O-N 2.91Å; T147-S149 PolarHBondContact OG1-OG 3.13Å; T147-S149 VanDerWaalsContact OG1-OG 3.06Å; T147-S150 PolarHBondContact O-N 3.27Å; T147-S150 VanDerWaalsContact O-N 3.13Å
148N50.4Low61.6Low141 Ų14179 Ų7975%0.75445%0.448SS*.THydrogen-bonded Turntrans-56.7-4.1-178.2-73-37.1000115.1
149S44.6Very low58.6Low98 Ų9880.6 Ų80.669%0.68546%0.464SS*.THydrogen-bonded Turntrans-84.9-10.1176.9350000114.9T147 S151T147-S149 PolarHBondContact O-N 2.91Å; T147-S149 PolarHBondContact OG1-OG 3.13Å; T147-S149 VanDerWaalsContact OG1-OG 3.06Å; S149-S151 PolarHBondContact O-N 3.09Å
150S42.2Very low55.6Low85 Ų8584.7 Ų84.759%0.59449%0.489SS*.  trans-94.367.6178.9-51.80000112.2T147 N152T147-S150 PolarHBondContact O-N 3.27Å; T147-S150 VanDerWaalsContact O-N 3.13Å; S150-N152 VanDerWaalsContact C-N 3.27Å; S150-N152 PolarHBondContact O-N 2.87Å
151S32.1Very low53.1Low99 Ų9987.8 Ų87.869%0.69250%0.502SS*.  trans-8523.6178560000114.8S149 N153S149-S151 PolarHBondContact O-N 3.09Å; S151-N153 VanDerWaalsContact C-N 3.3Å; S151-N153 PolarHBondContact O-N 3.34Å
152N33.7Very low50.7Low152 Ų15289 Ų8981%0.81351%0.506SS*.  trans-79.980.8172.1-83.9-12.6000110.6S150 Q154S150-N152 VanDerWaalsContact C-N 3.27Å; S150-N152 PolarHBondContact O-N 2.87Å; N152-Q154 PolarHBondContact O-N 2.76Å
153N33.6Very low47.9Very low159 Ų15996.2 Ų96.285%0.8554%0.536SS*.  trans-69.446.4170.5-86.5-13.6000112.7S151S151-N153 VanDerWaalsContact C-N 3.3Å; S151-N153 PolarHBondContact O-N 3.34Å
154Q30Very low45.1Very low161 Ų16199 Ų9975%0.75255%0.55SS**  trans-72.3130.8163-77.6-164.4-9.900108.4N152 V156N152-Q154 PolarHBondContact O-N 2.76Å; Q154-V156 VanDerWaalsContact C-N 3.25Å; Q154-V156 WeakPolarHBondContact O-CG2 3.12Å; Q154-V156 PolarHBondContact O-N 3.07Å
155P30.4Very low42.5Very low126 Ų12699.9 Ų99.982%0.81856%0.555SS**  trans-64.891.9171.225.6-30.5000108.1K157P155-K157 PolarHBondContact O-N 3.27Å; P155-K157 VanDerWaalsContact O-N 3.13Å
156V37.6Very low40.2Very low84 Ų84109.1 Ų109.151%0.50960%0.597SS.*  trans-66.5115179.4179.80000107.5Q154 T158Q154-V156 VanDerWaalsContact C-N 3.25Å; Q154-V156 WeakPolarHBondContact O-CG2 3.12Å; Q154-V156 PolarHBondContact O-N 3.07Å; V156-T158 PolarHBondContact O-N 3.21Å
157K29.8Very low38.3Very low174 Ų174108.3 Ų108.376%0.75760%0.598SS**  trans-42.3118.4-179.1-71.5-176176.3-177.40111.4P155P155-K157 PolarHBondContact O-N 3.27Å; P155-K157 VanDerWaalsContact O-N 3.13Å
158T36.4Very low37.5Very low97 Ų97109.1 Ų109.160%0.59560%0.603SS**THydrogen-bonded Turntrans-66.7140.2161.549.50000107.9V156V156-T158 PolarHBondContact O-N 3.21Å
159G33.1Very low37Very low32 Ų32107.7 Ų107.733%0.3360%0.595SS.*THydrogen-bonded Turntrans100.4-4.4178.200000117.5
160V32.8Very low37.3Very low90 Ų90109 Ų10955%0.54560%0.595SS.*  trans-108.993.3168.7-172.60000109.3
161K45.1Very low37.8Very low82 Ų82110.6 Ų110.636%0.35759%0.588SS.*  trans178.8152.1167-98.3150.9-169.2-146.30108.5
162R46.8Very low39.3Very low65 Ų65106.3 Ų106.325%0.24556%0.558CS.*  cis-105.6110.75.5-58.8171.7178.4105.80.4108.9D389 D474 S481 F486R162-D389 WeakPolarHBondContact CD-OD2 3.41Å; R162-D474 IonicContact CZ-OD2 3.22Å; R162-D474 IonicContact NH1-OD2 3.61Å; R162-D474 PolarHBondContact NH1-OD2 3.06Å; R162-D474 IonicContact NH2-OD2 3.56Å; R162-D474 PolarHBondContact NH2-OD2 2.92Å; R162-S481 PolarHBondContact NH2-OG 3.49Å; R162-F486 VanDerWaalsContact NH1-CZ 3.35Å
163K37.1Very low41.8Very low171 Ų171102.2 Ų102.274%0.74353%0.534SS*.  trans-77.1136.1154.3-82.2-172.4173.5-173.10105.3P165K163-P165 VanDerWaalsContact C-N 3.34Å; K163-P165 VanDerWaalsContact O-CD 3.22Å; K163-P165 WeakPolarHBondContact O-CD 3.3Å
164L36.5Very low44.5Very low76 Ų7694.8 Ų94.840%0.39850%0.495SS..  trans-44.9109.5154.2-94.2144.2000105E166 K387L164-E166 PolarHBondContact O-N 2.91Å; L164-K387 HydrophobicContact CD1-CD 4.43Å; L164-K387 HydrophobicContact CD1-CG 4.2Å
165P37Very low47.4Very low47 Ų4791 Ų9131%0.30548%0.48SS..  trans-68.3134.1-16933.4-38.3000106.2K163 S167K163-P165 VanDerWaalsContact C-N 3.34Å; K163-P165 VanDerWaalsContact O-CD 3.22Å; K163-P165 WeakPolarHBondContact O-CD 3.3Å; P165-S167 WeakPolarHBondContact CB-O 3.44Å; P165-S167 WeakPolarHBondContact CG-O 3.25Å; P165-S167 PolarHBondContact O-N 3.34Å; P165-S167 VanDerWaalsContact O-N 3.16Å
166E40.3Very low50.4Low198 Ų19887.2 Ų87.293%0.92545%0.454SS*.SBendtrans-59.9-25.1179.6-70.9174.6-170.100110.6L164L164-E166 PolarHBondContact O-N 2.91Å
167S38.4Very low53.1Low57 Ų5783.2 Ų83.240%0.39943%0.43SS..SBendtrans-124.7137162.780.20000110.2P165 N169P165-S167 WeakPolarHBondContact CB-O 3.44Å; P165-S167 WeakPolarHBondContact CG-O 3.25Å; P165-S167 PolarHBondContact O-N 3.34Å; P165-S167 VanDerWaalsContact O-N 3.16Å; S167-N169 PolarHBondContact O-N 3.49Å
168V39.1Very low56.3Low98 Ų9874.9 Ų74.959%0.59439%0.394SS*.THydrogen-bonded Turntrans-55.3-16.9-176.8177.50000113.6C172V168-C172 PolarHBondContact O-SG 3.31Å
169N41.4Very low59.1Low110 Ų11074.1 Ų74.159%0.58838%0.384SS*.Hα-helixtrans-86.1-32.5-164.4-72.6-7.3000116.5S167 Y171S167-N169 PolarHBondContact O-N 3.49Å; N169-Y171 VanDerWaalsContact C-N 3.29Å; N169-Y171 PolarHBondContact O-N 2.95Å; N169-Y171 VanDerWaalsContact O-N 3.12Å
170D49.2Very low62.1Low126 Ų12673.9 Ų73.967%0.67438%0.377SS*.Hα-helixtrans-69.2-19.4-162.3-89.2-6.2000116
171Y52.8Low65.2Low119 Ų11969.6 Ų69.647%0.46735%0.351SS..Hα-helixtrans-132.2-6.2-178.4-64.6-58.4000115.3N169N169-Y171 VanDerWaalsContact C-N 3.29Å; N169-Y171 PolarHBondContact O-N 2.95Å; N169-Y171 VanDerWaalsContact O-N 3.12Å
172C65Low67.6Low9 Ų966.4 Ų66.46%0.06134%0.337CS..Hα-helixtrans-79.5-20.2-178.7690000112V168 A174 A205 W206V168-C172 PolarHBondContact O-SG 3.31Å; C172-A174 HydrophobicContact CB-CB 4.27Å; C172-A174 PolarHBondContact O-N 2.93Å; C172-A174 VanDerWaalsContact O-N 3.07Å; C172-A174 WeakPolarHBondContact SG-CB 3.48Å; C172-A174 PolarHBondContact SG-N 3.29Å; C172-A205 HydrophobicContact CB-CB 4.23Å; C172-W206 PolarHBondContact O-NE1 3.26Å
173H85.5Confident70Confident65 Ų6566.7 Ų66.730%0.30135%0.349SS..  trans54.519.6-169.3-60-75.3000113.5V108 A145 D175 T176 V177V108-H173 HydrophobicContact CG1-CB 3.9Å; A145-H173 HydrophobicContact CB-CB 4.22Å; H173-D175 PolarHBondContact O-N 3.01Å; H173-T176 PolarHBondContact O-N 3.13Å; H173-T176 PolarHBondContact O-OG1 2.97Å; H173-V177 HydrophobicContact CB-CG2 4.04Å; H173-V177 WeakPolarHBondContact O-CB 3.36Å; H173-V177 WeakPolarHBondContact O-CG2 3.28Å; H173-V177 PolarHBondContact O-N 3.38Å
174A89.8Confident72.7Confident4 Ų459.3 Ų59.33%0.03332%0.318CS..Hα-helixtrans-61.4-45.3-170.100000112.9C172 A178 A205 Q209C172-A174 HydrophobicContact CB-CB 4.27Å; C172-A174 PolarHBondContact O-N 2.93Å; C172-A174 VanDerWaalsContact O-N 3.07Å; C172-A174 WeakPolarHBondContact SG-CB 3.48Å; C172-A174 PolarHBondContact SG-N 3.29Å; A174-A178 WeakPolarHBondContact O-CB 3.39Å; A174-A178 PolarHBondContact O-N 3.46Å; A174-A205 HydrophobicContact CB-CB 4Å; A174-Q209 HydrophobicContact CB-CB 4.04Å; A174-Q209 HydrophobicContact CB-CG 4.41Å
175D91.2Very high75.4Confident81 Ų8155.9 Ų55.943%0.43330%0.3SS..Hα-helixtrans-60.6-52.6175.3-179.664.5000111.1H173 V177 A178 Q179H173-D175 PolarHBondContact O-N 3.01Å; D175-V177 PolarHBondContact O-N 3.38Å; D175-A178 PolarHBondContact O-N 3.16Å; D175-A178 VanDerWaalsContact O-N 3.16Å; D175-Q179 WeakPolarHBondContact O-CB 3.35Å; D175-Q179 VanDerWaalsContact O-CG 3.23Å; D175-Q179 WeakPolarHBondContact O-CG 3.42Å; D175-Q179 PolarHBondContact O-N 3.46Å
176T93.4Very high78Confident46 Ų4660 Ų6028%0.28232%0.316SS..Hα-helixtrans-67.6-34.9-175.165.40000113.3A145 H173 S180A145-T176 WeakPolarHBondContact O-CB 3.49Å; A145-T176 PolarHBondContact O-OG1 3.31Å; H173-T176 PolarHBondContact O-N 3.13Å; H173-T176 PolarHBondContact O-OG1 2.97Å; T176-S180 WeakPolarHBondContact O-CB 3.41Å; T176-S180 PolarHBondContact O-N 3.34Å
177V95.6Very high80.4Confident0 Ų054.8 Ų54.80%030%0.301CS..Hα-helixtrans-63.2-49.8171.1173.30000110.4W74 C106 V108 A145 H173 D175 Q179 S180 V181 W206W74-V177 HydrophobicContact CH2-CG1 4.3Å; W74-V177 HydrophobicContact CZ2-CG1 3.76Å; C106-V177 HydrophobicContact CB-CG1 4.4Å; V108-V177 HydrophobicContact CB-CG2 4.46Å; V108-V177 HydrophobicContact CG1-CG2 4.16Å; V108-V177 HydrophobicContact CG2-CG2 3.47Å; V108-V177 VanDerWaalsContact CG2-CG2 3.47Å; A145-V177 HydrophobicContact CB-CG2 3.63Å; H173-V177 HydrophobicContact CB-CG2 4.04Å; H173-V177 WeakPolarHBondContact O-CB 3.36Å; H173-V177 WeakPolarHBondContact O-CG2 3.28Å; H173-V177 PolarHBondContact O-N 3.38Å; D175-V177 PolarHBondContact O-N 3.38Å; V177-Q179 PolarHBondContact O-N 3.2Å; V177-S180 WeakPolarHBondContact O-CB 3.36Å; V177-S180 PolarHBondContact O-N 2.99Å; V177-V181 WeakPolarHBondContact O-CG2 3.36Å; V177-V181 PolarHBondContact O-N 3.32Å; V177-W206 HydrophobicContact CB-CB 4.38Å; V177-W206 HydrophobicContact CB-CD2 4.42Å; V177-W206 HydrophobicContact CB-CG 4.1Å; V177-W206 HydrophobicContact CG1-CB 3.87Å; V177-W206 HydrophobicContact CG1-CD2 3.99Å; V177-W206 HydrophobicContact CG1-CE3 4.2Å; V177-W206 HydrophobicContact CG1-CG 3.85Å; V177-W206 HydrophobicContact CG2-CD2 4.2Å; V177-W206 HydrophobicContact CG2-CG 4.28Å
178A95.6Very high82.9Confident0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-62.5-43.6-178.800000111.9A174 D175 S180 V181 L182 Q209 L210 L213A174-A178 WeakPolarHBondContact O-CB 3.39Å; A174-A178 PolarHBondContact O-N 3.46Å; D175-A178 PolarHBondContact O-N 3.16Å; D175-A178 VanDerWaalsContact O-N 3.16Å; A178-S180 PolarHBondContact O-N 2.95Å; A178-V181 PolarHBondContact O-N 2.63Å; A178-L182 WeakPolarHBondContact O-CB 3.43Å; A178-L182 PolarHBondContact O-N 3.46Å; A178-Q209 HydrophobicContact CB-CB 3.9Å; A178-Q209 HydrophobicContact CB-CG 3.58Å; A178-L210 HydrophobicContact CB-CB 4.02Å; A178-L213 HydrophobicContact CB-CD1 3.87Å
179Q96Very high85.2Confident81 Ų8152.2 Ų52.238%0.37928%0.281SS..Hα-helixtrans-62.6-40.9175.2-67.8-64.8-1400112.1D175 V177 L182 S183 L213D175-Q179 WeakPolarHBondContact O-CB 3.35Å; D175-Q179 VanDerWaalsContact O-CG 3.23Å; D175-Q179 WeakPolarHBondContact O-CG 3.42Å; D175-Q179 PolarHBondContact O-N 3.46Å; V177-Q179 PolarHBondContact O-N 3.2Å; Q179-L182 PolarHBondContact O-N 2.59Å; Q179-S183 VanDerWaalsContact O-CB 3.32Å; Q179-S183 WeakPolarHBondContact O-CB 3.37Å; Q179-S183 PolarHBondContact O-N 2.82Å; Q179-L213 HydrophobicContact CG-CD1 4.43Å
180S96.8Very high87.6Confident26 Ų2647.2 Ų47.218%0.18225%0.254CS..Hα-helixtrans-63.2-45.1178.1-163.20000111.7T143 S144 T176 V177 A178 L184T143-S180 WeakPolarHBondContact CB-OG 3.3Å; S144-S180 PolarHBondContact N-OG 3.47Å; S144-S180 WeakPolarHBondContact O-CB 3.42Å; S144-S180 PolarHBondContact O-OG 2.93Å; T176-S180 WeakPolarHBondContact O-CB 3.41Å; T176-S180 PolarHBondContact O-N 3.34Å; V177-S180 WeakPolarHBondContact O-CB 3.36Å; V177-S180 PolarHBondContact O-N 2.99Å; A178-S180 PolarHBondContact O-N 2.95Å; S180-L184 PolarHBondContact O-N 3.38Å
181V97.3Very high89.5Confident0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-69.6-39.1176178.30000111.4L72 W74 C106 V177 A178 L184 I185 L210L72-V181 HydrophobicContact CD2-CG1 4.46Å; W74-V181 HydrophobicContact CD2-CG1 4.27Å; W74-V181 HydrophobicContact CD2-CG2 4.31Å; W74-V181 HydrophobicContact CG-CG1 4.39Å; W74-V181 HydrophobicContact CZ2-CG2 4.14Å; C106-V181 HydrophobicContact CB-CG2 4.16Å; V177-V181 WeakPolarHBondContact O-CG2 3.36Å; V177-V181 PolarHBondContact O-N 3.32Å; A178-V181 PolarHBondContact O-N 2.63Å; V181-L184 WeakPolarHBondContact O-CB 3.42Å; V181-L184 PolarHBondContact O-N 3.2Å; V181-I185 HydrophobicContact CG1-CD1 3.85Å; V181-I185 HydrophobicContact CG1-CG1 4.49Å; V181-I185 WeakPolarHBondContact O-CD1 3.32Å; V181-I185 WeakPolarHBondContact O-CG1 3.19Å; V181-I185 PolarHBondContact O-N 3.41Å; V181-L210 HydrophobicContact CB-CD2 4.36Å; V181-L210 HydrophobicContact CG1-CD1 4.47Å; V181-L210 HydrophobicContact CG1-CD2 3.74Å
182L96Very high91.5Very high15 Ų1536.3 Ų36.38%0.07921%0.205CC..Hα-helixtrans-63-42.6176.5-177.764.2000112.2A178 Q179 L184 I185 Q186 L210 L213 L214A178-L182 WeakPolarHBondContact O-CB 3.43Å; A178-L182 PolarHBondContact O-N 3.46Å; Q179-L182 PolarHBondContact O-N 2.59Å; L182-L184 VanDerWaalsContact C-N 3.3Å; L182-L184 PolarHBondContact O-N 2.62Å; L182-I185 WeakPolarHBondContact O-CB 3.42Å; L182-I185 PolarHBondContact O-N 2.99Å; L182-Q186 WeakPolarHBondContact O-CG 3.5Å; L182-Q186 PolarHBondContact O-N 3.49Å; L182-L210 HydrophobicContact CB-CD1 4.16Å; L182-L213 HydrophobicContact CD2-CB 4.06Å; L182-L213 HydrophobicContact CD2-CD1 4.41Å; L182-L214 HydrophobicContact CD1-CD2 4.05Å
183S95.9Very high93Very high71 Ų7135.9 Ų35.950%0.49720%0.202SC..Hα-helixtrans-60.4-41.6174.9-179.60000111.4Q179 Q186 S187Q179-S183 VanDerWaalsContact O-CB 3.32Å; Q179-S183 WeakPolarHBondContact O-CB 3.37Å; Q179-S183 PolarHBondContact O-N 2.82Å; S183-Q186 PolarHBondContact O-N 3.22Å; S183-S187 WeakPolarHBondContact O-CB 3.49Å; S183-S187 PolarHBondContact O-N 3.07Å; S183-S187 PolarHBondContact O-OG 2.81Å; S183-S187 VanDerWaalsContact O-OG 3.07Å
184L94.3Very high93.6Very high16 Ų1632.8 Ų32.88%0.08419%0.188CC..Hα-helixtrans-61.8-49.2172.4-178.367.5000111.5C104 H141 T143 S180 V181 L182 Q186 S187 V188C104-L184 HydrophobicContact CB-CD2 3.44Å; C104-L184 VanDerWaalsContact CB-CD2 3.44Å; C104-L184 WeakPolarHBondContact SG-CD2 3.41Å; H141-L184 HydrophobicContact CB-CD1 4.09Å; H141-L184 HydrophobicContact CB-CD2 3.68Å; T143-L184 HydrophobicContact CG2-CB 4.2Å; T143-L184 HydrophobicContact CG2-CD2 4.1Å; S180-L184 PolarHBondContact O-N 3.38Å; V181-L184 WeakPolarHBondContact O-CB 3.42Å; V181-L184 PolarHBondContact O-N 3.2Å; L182-L184 VanDerWaalsContact C-N 3.3Å; L182-L184 PolarHBondContact O-N 2.62Å; L184-Q186 PolarHBondContact O-N 2.86Å; L184-S187 WeakPolarHBondContact CA-OG 3.42Å; L184-S187 PolarHBondContact O-N 2.79Å; L184-S187 PolarHBondContact O-OG 3.26Å; L184-V188 HydrophobicContact CD1-CG1 4.08Å; L184-V188 HydrophobicContact CD1-CG2 4.23Å; L184-V188 HydrophobicContact CG-CG2 4.21Å; L184-V188 WeakPolarHBondContact O-CG2 3.09Å; L184-V188 PolarHBondContact O-N 3.41Å
185I93.1Very high94.1Very high4 Ų432.6 Ų32.62%0.02119%0.186CC..Hα-helixtrans-51.7-45.3177.5-76.3158.5000111.3L72 V181 L182 N189 I190 I193 L210 L214L72-I185 HydrophobicContact CD2-CD1 4.24Å; L72-I185 HydrophobicContact CD2-CG1 3.66Å; V181-I185 HydrophobicContact CG1-CD1 3.85Å; V181-I185 HydrophobicContact CG1-CG1 4.49Å; V181-I185 WeakPolarHBondContact O-CD1 3.32Å; V181-I185 WeakPolarHBondContact O-CG1 3.19Å; V181-I185 PolarHBondContact O-N 3.41Å; L182-I185 WeakPolarHBondContact O-CB 3.42Å; L182-I185 PolarHBondContact O-N 2.99Å; I185-N189 WeakPolarHBondContact O-CA 3.26Å; I185-N189 PolarHBondContact O-N 2.93Å; I185-I190 HydrophobicContact CB-CB 4.26Å; I185-I190 HydrophobicContact CG1-CB 4.19Å; I185-I190 HydrophobicContact CG1-CG2 4.33Å; I185-I190 HydrophobicContact CG2-CB 4.04Å; I185-I190 PolarHBondContact O-N 3.03Å; I185-I193 HydrophobicContact CD1-CD1 3.43Å; I185-I193 VanDerWaalsContact CD1-CD1 3.43Å; I185-I193 HydrophobicContact CD1-CG1 3.96Å; I185-I193 HydrophobicContact CG1-CD1 4.19Å; I185-I193 HydrophobicContact CG1-CG1 4.33Å; I185-L210 HydrophobicContact CD1-CD1 4.22Å; I185-L210 HydrophobicContact CD1-CD2 4.41Å; I185-L214 HydrophobicContact CD1-CD2 4.15Å
186Q92.3Very high94.4Very high135 Ų13528.8 Ų28.863%0.63117%0.165SC*.Hα-helixtrans-68.5-48.1178.8-69.8169.5-10.900111.8L182 S183 L184 V188 N189L182-Q186 WeakPolarHBondContact O-CG 3.5Å; L182-Q186 PolarHBondContact O-N 3.49Å; S183-Q186 PolarHBondContact O-N 3.22Å; L184-Q186 PolarHBondContact O-N 2.86Å; Q186-V188 VanDerWaalsContact C-N 3.32Å; Q186-V188 PolarHBondContact O-N 3.41Å; Q186-N189 PolarHBondContact O-N 2.83Å
187S90.8Very high94.7Very high88 Ų8826.6 Ų26.662%0.61515%0.152SC*.Hα-helixtrans-65.6-30.2-176.662.70000114.3S183 L184S183-S187 WeakPolarHBondContact O-CB 3.49Å; S183-S187 PolarHBondContact O-N 3.07Å; S183-S187 PolarHBondContact O-OG 2.81Å; S183-S187 VanDerWaalsContact O-OG 3.07Å; L184-S187 WeakPolarHBondContact CA-OG 3.42Å; L184-S187 PolarHBondContact O-N 2.79Å; L184-S187 PolarHBondContact O-OG 3.26Å
188V89.4Confident94.7Very high39 Ų3927.1 Ų27.124%0.23616%0.155CC..THydrogen-bonded Turntrans-106.910.4177-59.10000113.4L184 Q186 I190L184-V188 HydrophobicContact CD1-CG1 4.08Å; L184-V188 HydrophobicContact CD1-CG2 4.23Å; L184-V188 HydrophobicContact CG-CG2 4.21Å; L184-V188 WeakPolarHBondContact O-CG2 3.09Å; L184-V188 PolarHBondContact O-N 3.41Å; Q186-V188 VanDerWaalsContact C-N 3.32Å; Q186-V188 PolarHBondContact O-N 3.41Å; V188-I190 HydrophobicContact CG2-CD1 3.84Å; V188-I190 HydrophobicContact CG2-CG1 3.51Å; V188-I190 PolarHBondContact O-N 3.4Å
189N87.2Confident94.8Very high62 Ų6227.3 Ų27.333%0.33216%0.156SC..THydrogen-bonded Turntrans52.851.9175-162.816.4000114.3K68 G70 I185 Q186K68-N189 PolarHBondContact N-ND2 3.08Å; K68-N189 WeakPolarHBondContact O-CB 3.46Å; K68-N189 PolarHBondContact O-ND2 3.27Å; G70-N189 PolarHBondContact N-O 3.45Å; I185-N189 WeakPolarHBondContact O-CA 3.26Å; I185-N189 PolarHBondContact O-N 2.93Å; Q186-N189 PolarHBondContact O-N 2.83Å
190I91.7Very high94.7Very high4 Ų423.5 Ų23.52%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-75.6135.4177-61.8-59.9000110.3L72 H102 I185 V188 C192 I193L72-I190 HydrophobicContact CB-CB 4.28Å; L72-I190 HydrophobicContact CB-CD1 3.91Å; L72-I190 HydrophobicContact CB-CG1 3.87Å; L72-I190 HydrophobicContact CB-CG2 3.48Å; L72-I190 VanDerWaalsContact CB-CG2 3.48Å; L72-I190 HydrophobicContact CD2-CG1 4.45Å; H102-I190 HydrophobicContact CB-CD1 4.12Å; I185-I190 HydrophobicContact CB-CB 4.26Å; I185-I190 HydrophobicContact CG1-CB 4.19Å; I185-I190 HydrophobicContact CG1-CG2 4.33Å; I185-I190 HydrophobicContact CG2-CB 4.04Å; I185-I190 PolarHBondContact O-N 3.03Å; V188-I190 HydrophobicContact CG2-CD1 3.84Å; V188-I190 HydrophobicContact CG2-CG1 3.51Å; V188-I190 PolarHBondContact O-N 3.4Å; I190-C192 VanDerWaalsContact CG2-O 3.31Å; I190-C192 WeakPolarHBondContact CG2-O 3.47Å; I190-I193 HydrophobicContact CG2-CG1 3.83Å
191S90.3Very high94.5Very high13 Ų1324.5 Ų24.59%0.09114%0.138CC..EExtended strand (participates in β ladder)trans-119-4.4-179.7-48.40000113.8M69 G70 P219M69-S191 WeakPolarHBondContact CB-OG 3.41Å; G70-S191 PolarHBondContact O-N 2.96Å; S191-P219 WeakPolarHBondContact O-CD 3.32Å
192C93.9Very high94.2Very high4 Ų426 Ų263%0.02714%0.144CC..EExtended strand (participates in β ladder)trans-150.3136.1173176.30000109.9F47 G70 V71 L72 I190F47-C192 HydrophobicContact CD2-CB 3.91Å; F47-C192 HydrophobicContact CE2-CB 3.22Å; F47-C192 HydrophobicContact CZ-CB 3.86Å; G70-C192 PolarHBondContact O-N 3.17Å; V71-C192 WeakPolarHBondContact CA-O 3.44Å; V71-C192 HydrophobicContact CG2-CB 4.3Å; L72-C192 PolarHBondContact N-O 3.49Å; I190-C192 VanDerWaalsContact CG2-O 3.31Å; I190-C192 WeakPolarHBondContact CG2-O 3.47Å
193I97.3Very high94.1Very high0 Ų025.2 Ų25.20%014%0.141CC..EExtended strand (participates in β ladder)trans-123130.1-173.8-56.1150000109.1L72 I185 I190 L214 I218 P219 F220 C221L72-I193 WeakPolarHBondContact O-CA 3.3Å; I185-I193 HydrophobicContact CD1-CD1 3.43Å; I185-I193 VanDerWaalsContact CD1-CD1 3.43Å; I185-I193 HydrophobicContact CD1-CG1 3.96Å; I185-I193 HydrophobicContact CG1-CD1 4.19Å; I185-I193 HydrophobicContact CG1-CG1 4.33Å; I190-I193 HydrophobicContact CG2-CG1 3.83Å; I193-L214 HydrophobicContact CD1-CD1 3.44Å; I193-L214 VanDerWaalsContact CD1-CD1 3.44Å; I193-L214 HydrophobicContact CD1-CD2 3.42Å; I193-L214 VanDerWaalsContact CD1-CD2 3.42Å; I193-L214 HydrophobicContact CD1-CG 4.08Å; I193-I218 HydrophobicContact CD1-CG2 3.6Å; I193-I218 HydrophobicContact CG1-CG2 4.17Å; I193-P219 PolarHBondContact N-O 3.15Å; I193-F220 HydrophobicContact CB-CD2 3.76Å; I193-F220 HydrophobicContact CB-CE2 4.3Å; I193-F220 HydrophobicContact CB-CG 4.4Å; I193-F220 HydrophobicContact CG2-CD2 3.58Å; I193-F220 HydrophobicContact CG2-CE2 3.59Å; I193-F220 HydrophobicContact CG2-CG 4.49Å; I193-F220 HydrophobicContact CG2-CZ 4.49Å; I193-F220 WeakPolarHBondContact O-CA 3.13Å; I193-C221 PolarHBondContact O-N 2.94Å
194I98.5Very high94Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-116.7134.4172.6-51.6-55.3000107.1V71 L72 Y73 W74 F89 A90 L93 C221 V223V71-I194 HydrophobicContact CG1-CG1 4.28Å; L72-I194 PolarHBondContact O-N 3.39Å; Y73-I194 CarbonylContact C-O 3.54Å; Y73-I194 WeakPolarHBondContact CA-O 3.48Å; W74-I194 PolarHBondContact N-O 3.46Å; F89-I194 HydrophobicContact CD1-CD1 3.72Å; F89-I194 HydrophobicContact CD1-CG1 4.2Å; F89-I194 HydrophobicContact CD1-CG2 4.04Å; F89-I194 HydrophobicContact CE1-CD1 3.67Å; A90-I194 HydrophobicContact CB-CB 4.09Å; A90-I194 HydrophobicContact CB-CG1 3.97Å; A90-I194 HydrophobicContact CB-CG2 4.44Å; L93-I194 HydrophobicContact CD1-CD1 3.7Å; L93-I194 HydrophobicContact CD1-CG1 4.27Å; I194-C221 CarbonylContact C-O 3.34Å; I194-C221 WeakPolarHBondContact CA-O 3.24Å; I194-C221 HydrophobicContact CD1-CB 3.75Å; I194-V223 HydrophobicContact CG2-CG2 3.77Å
195T98.8Very high94Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-130.3157171.2-167.30000111.1W74 I76 I207 F220 C221 Q222 V223W74-T195 VanDerWaalsContact O-CA 3.32Å; W74-T195 WeakPolarHBondContact O-CA 3.48Å; W74-T195 WeakPolarHBondContact O-CB 2.98Å; W74-T195 PolarHBondContact O-OG1 2.94Å; I76-T195 WeakPolarHBondContact CD1-OG1 3.48Å; T195-I207 HydrophobicContact CG2-CD1 3.9Å; T195-I207 HydrophobicContact CG2-CG1 4.18Å; T195-F220 HydrophobicContact CG2-CE2 3.47Å; T195-F220 VanDerWaalsContact CG2-CE2 3.47Å; T195-F220 HydrophobicContact CG2-CZ 3.75Å; T195-C221 PolarHBondContact N-O 3.45Å; T195-Q222 HydrophobicContact CG2-CB 4.03Å; T195-Q222 HydrophobicContact CG2-CG 4.05Å; T195-Q222 CarbonylContact O-C 3.51Å; T195-Q222 VanDerWaalsContact O-CA 3.3Å; T195-Q222 WeakPolarHBondContact O-CA 3.26Å; T195-V223 PolarHBondContact O-N 2.97Å
196D98.8Very high94.1Very high0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-83.8169.417457.753.9000112.3Y73 M75 I76 R77 D78 A86 Q222 V223Y73-D196 HydrophobicContact CE2-CB 4.17Å; Y73-D196 PolarHBondContact OH-OD2 3.31Å; M75-D196 WeakPolarHBondContact CA-OD2 3.38Å; I76-D196 WeakPolarHBondContact CB-OD1 3.16Å; I76-D196 PolarHBondContact N-OD1 2.86Å; I76-D196 PolarHBondContact N-OD2 3.36Å; R77-D196 PolarHBondContact N-OD1 3.19Å; R77-D196 PolarHBondContact N-OD2 2.64Å; D78-D196 HydrophobicContact CB-CB 4.47Å; D78-D196 PolarHBondContact N-OD2 3.45Å; A86-D196 HydrophobicContact CB-CB 3.96Å; D196-Q222 PolarHBondContact O-NE2 3.02Å; D196-V223 CarbonylContact C-O 3.59Å; D196-V223 WeakPolarHBondContact CA-O 3.31Å
197F98.4Very high94.3Very high1 Ų119 Ų190%0.00411%0.111CC..  trans-95.1130.1-178.6170.4-115.3000111.5P199 Q222 V223 D224 V231 W232 Y383F197-P199 HydrophobicContact CE1-CB 4.25Å; F197-P199 HydrophobicContact CE1-CG 3.97Å; F197-P199 HydrophobicContact CE2-CB 4.04Å; F197-P199 HydrophobicContact CZ-CB 3.49Å; F197-P199 VanDerWaalsContact CZ-CB 3.49Å; F197-P199 VanDerWaalsContact CZ-CD 3.46Å; F197-P199 HydrophobicContact CZ-CG 3.73Å; F197-Q222 HydrophobicContact CB-CG 4.32Å; F197-V223 WeakPolarHBondContact CB-O 3.39Å; F197-V223 PolarHBondContact N-O 3.2Å; F197-D224 HydrophobicContact CB-CB 4.12Å; F197-D224 HydrophobicContact CD1-CB 4.24Å; F197-D224 VanDerWaalsContact CD1-CG 3.5Å; F197-D224 WeakPolarHBondContact CD1-OD2 3.26Å; F197-D224 HydrophobicContact CG-CB 4.43Å; F197-V231 HydrophobicContact CD1-CG1 4.28Å; F197-V231 HydrophobicContact CE1-CB 3.8Å; F197-V231 HydrophobicContact CE1-CG1 3.51Å; F197-V231 HydrophobicContact CE1-CG2 4.49Å; F197-V231 HydrophobicContact CE2-CG1 3.92Å; F197-V231 HydrophobicContact CZ-CB 3.97Å; F197-V231 HydrophobicContact CZ-CG1 3.29Å; F197-V231 HydrophobicContact CZ-CG2 4.41Å; F197-W232 HydrophobicContact CB-CH2 4.28Å; F197-W232 HydrophobicContact CB-CZ3 4.32Å; F197-W232 AromaticContact CD2-CZ3 3.74Å; F197-W232 HydrophobicContact CD2-CZ3 3.74Å; F197-W232 HydrophobicContact CE2-CZ3 4.23Å; F197-W232 HydrophobicContact CG-CH2 4.41Å; F197-W232 AromaticContact CG-CZ3 3.97Å; F197-W232 HydrophobicContact CG-CZ3 3.97Å; F197-Y383 AromaticContact CE2-CD2 3.59Å; F197-Y383 HydrophobicContact CE2-CD2 3.59Å; F197-Y383 AromaticContact CE2-CE2 3.99Å; F197-Y383 HydrophobicContact CE2-CE2 3.99Å; F197-Y383 AromaticContact CZ-CD2 3.74Å; F197-Y383 HydrophobicContact CZ-CD2 3.74Å; F197-Y383 HydrophobicContact CZ-CE2 4.47Å; F197-Y383 HydrophobicContact CZ-CG 4.24Å
198F97.5Very high94.5Very high11 Ų1121.1 Ų21.15%0.04811%0.109CC..  trans-141111.9170-165.2179.9000109.5I76 R77 F111 L200 P203 P483I76-F198 HydrophobicContact CG2-CD1 4.08Å; R77-F198 HydrophobicContact CB-CB 4.1Å; R77-F198 HydrophobicContact CB-CD1 4.01Å; R77-F198 HydrophobicContact CB-CG 4.04Å; R77-F198 HydrophobicContact CG-CD1 4.28Å; R77-F198 HydrophobicContact CG-CD2 4.35Å; R77-F198 HydrophobicContact CG-CG 4.2Å; F111-F198 HydrophobicContact CE1-CD1 4.35Å; F111-F198 AromaticContact CE1-CE1 3.75Å; F111-F198 HydrophobicContact CE1-CE1 3.75Å; F111-F198 HydrophobicContact CZ-CD1 4.29Å; F111-F198 AromaticContact CZ-CE1 3.67Å; F111-F198 HydrophobicContact CZ-CE1 3.67Å; F111-F198 HydrophobicContact CZ-CZ 4.22Å; F198-L200 HydrophobicContact CD2-CB 4.45Å; F198-L200 HydrophobicContact CD2-CD1 4.34Å; F198-L200 HydrophobicContact CD2-CG 3.95Å; F198-L200 HydrophobicContact CE1-CD1 4.32Å; F198-L200 HydrophobicContact CE2-CB 4.35Å; F198-L200 HydrophobicContact CE2-CD1 3.48Å; F198-L200 VanDerWaalsContact CE2-CD1 3.48Å; F198-L200 HydrophobicContact CE2-CG 3.52Å; F198-L200 HydrophobicContact CZ-CD1 3.45Å; F198-L200 VanDerWaalsContact CZ-CD1 3.45Å; F198-L200 HydrophobicContact CZ-CG 3.98Å; F198-L200 PolarHBondContact O-N 2.98Å; F198-P203 HydrophobicContact CB-CB 3.88Å; F198-P203 HydrophobicContact CB-CG 4.05Å; F198-P203 HydrophobicContact CD1-CB 4.07Å; F198-P203 HydrophobicContact CD1-CG 3.37Å; F198-P203 HydrophobicContact CE1-CG 3.97Å; F198-P203 HydrophobicContact CG-CB 4.22Å; F198-P203 HydrophobicContact CG-CG 3.8Å; F198-P483 HydrophobicContact CE2-CG 4.5Å
199P96.4Very high94.8Very high4 Ų421.3 Ų21.33%0.02611%0.107CC..  trans-71.74.8-170.219.6-30.1000116.6F197 D379 C382 P483F197-P199 HydrophobicContact CE1-CB 4.25Å; F197-P199 HydrophobicContact CE1-CG 3.97Å; F197-P199 HydrophobicContact CE2-CB 4.04Å; F197-P199 HydrophobicContact CZ-CB 3.49Å; F197-P199 VanDerWaalsContact CZ-CB 3.49Å; F197-P199 VanDerWaalsContact CZ-CD 3.46Å; F197-P199 HydrophobicContact CZ-CG 3.73Å; P199-D379 HydrophobicContact CG-CB 4.14Å; P199-C382 HydrophobicContact CB-CB 3.95Å; P199-C382 HydrophobicContact CG-CB 4.24Å; P199-P483 HydrophobicContact CG-CG 3.73Å
200L94.6Very high95.2Very high1 Ų118.3 Ų18.31%0.0059%0.091CC..SBendtrans-78.2155.7-179.8-59-173.5000111.1F111 F198 E202 P203 T204 C382 Y388 S481 P483 F486F111-L200 HydrophobicContact CE2-CD1 4.39Å; F111-L200 HydrophobicContact CZ-CD1 4.22Å; F198-L200 HydrophobicContact CD2-CB 4.45Å; F198-L200 HydrophobicContact CD2-CD1 4.34Å; F198-L200 HydrophobicContact CD2-CG 3.95Å; F198-L200 HydrophobicContact CE1-CD1 4.32Å; F198-L200 HydrophobicContact CE2-CB 4.35Å; F198-L200 HydrophobicContact CE2-CD1 3.48Å; F198-L200 VanDerWaalsContact CE2-CD1 3.48Å; F198-L200 HydrophobicContact CE2-CG 3.52Å; F198-L200 HydrophobicContact CZ-CD1 3.45Å; F198-L200 VanDerWaalsContact CZ-CD1 3.45Å; F198-L200 HydrophobicContact CZ-CG 3.98Å; F198-L200 PolarHBondContact O-N 2.98Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 2.87Å; L200-P203 HydrophobicContact CB-CG 4.33Å; L200-P203 WeakPolarHBondContact O-CD 3.41Å; L200-T204 WeakPolarHBondContact O-CB 3.18Å; L200-T204 PolarHBondContact O-N 2.89Å; L200-T204 VanDerWaalsContact O-N 3.16Å; L200-T204 PolarHBondContact O-OG1 2.86Å; L200-C382 HydrophobicContact CD2-CB 4.25Å; L200-Y388 HydrophobicContact CD2-CE1 4.23Å; L200-Y388 HydrophobicContact CD2-CE2 4.09Å; L200-S481 VanDerWaalsContact CD1-O 3.22Å; L200-S481 WeakPolarHBondContact CD1-O 3.44Å; L200-P483 HydrophobicContact CD2-CG 4.03Å; L200-F486 HydrophobicContact CD1-CE2 3.81Å; L200-F486 HydrophobicContact CD2-CD2 3.88Å; L200-F486 HydrophobicContact CD2-CE2 3.55Å; L200-F486 HydrophobicContact CD2-CZ 4.38Å; L200-F486 HydrophobicContact CG-CE2 4.36Å
201R92.3Very high95.4Very high47 Ų4718.9 Ų18.918%0.17710%0.097CC..Hα-helixtrans-59.4-42-175.4-74.6-173.3-60.3-96-4.1112.4T204 A205 P386 Y388 D389R201-T204 PolarHBondContact O-N 2.75Å; R201-A205 WeakPolarHBondContact O-CB 3.25Å; R201-A205 PolarHBondContact O-N 2.94Å; R201-P386 WeakPolarHBondContact CD-O 3.11Å; R201-P386 PolarHBondContact NH1-O 3.35Å; R201-Y388 HydrophobicContact CG-CE1 3.77Å; R201-Y388 PolarHBondContact N-OH 3.31Å; R201-Y388 VanDerWaalsContact N-OH 3.08Å; R201-D389 IonicContact CZ-OD1 2.89Å; R201-D389 IonicContact CZ-OD2 3.86Å; R201-D389 IonicContact NH1-OD1 3.73Å; R201-D389 PolarHBondContact NH1-OD1 3.09Å; R201-D389 IonicContact NH1-OD2 2.82Å; R201-D389 IonicContact NH2-OD1 2.8Å; R201-D389 PolarHBondContact NH2-OD1 3.07Å; R201-D389 IonicContact NH2-OD2 2.96Å; R201-D389 PolarHBondContact NH2-OD2 2.97Å
202E91.4Very high95.7Very high30 Ų3023.4 Ų23.414%0.1412%0.116CC..Hα-helixtrans-68.3-54.6-173.8-55.277.6178.400111.5F111 L200 T204 A205 W206F111-E202 HydrophobicContact CD2-CB 3.73Å; F111-E202 HydrophobicContact CD2-CG 3.9Å; F111-E202 HydrophobicContact CE2-CB 3.67Å; F111-E202 HydrophobicContact CE2-CG 4.04Å; F111-E202 WeakPolarHBondContact CE2-OE2 3.49Å; F111-E202 HydrophobicContact CZ-CB 4.43Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 2.87Å; E202-T204 PolarHBondContact O-N 2.9Å; E202-A205 WeakPolarHBondContact O-CA 3.34Å; E202-A205 WeakPolarHBondContact O-CB 3.46Å; E202-A205 PolarHBondContact O-N 2.74Å; E202-W206 HydrophobicContact CB-CZ2 4.06Å; E202-W206 PolarHBondContact O-N 3.46Å; E202-W206 PolarHBondContact O-NE1 2.85Å
203P93.9Very high95.7Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-56-38.9172.9-25.334.6000113.2I76 F111 F198 L200 A205 W206 I207I76-P203 HydrophobicContact CG2-CB 4.27Å; I76-P203 HydrophobicContact CG2-CG 4.49Å; F111-P203 HydrophobicContact CE1-CG 3.79Å; F111-P203 HydrophobicContact CE2-CG 4.24Å; F111-P203 HydrophobicContact CZ-CG 3.37Å; F198-P203 HydrophobicContact CB-CB 3.88Å; F198-P203 HydrophobicContact CB-CG 4.05Å; F198-P203 HydrophobicContact CD1-CB 4.07Å; F198-P203 HydrophobicContact CD1-CG 3.37Å; F198-P203 HydrophobicContact CE1-CG 3.97Å; F198-P203 HydrophobicContact CG-CB 4.22Å; F198-P203 HydrophobicContact CG-CG 3.8Å; L200-P203 HydrophobicContact CB-CG 4.33Å; L200-P203 WeakPolarHBondContact O-CD 3.41Å; P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 2.81Å; P203-W206 HydrophobicContact CB-CE3 4.29Å; P203-W206 HydrophobicContact CG-CZ3 4.37Å; P203-W206 PolarHBondContact O-N 2.82Å; P203-I207 WeakPolarHBondContact O-CB 3.46Å; P203-I207 VanDerWaalsContact O-CG1 3.25Å; P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 3.1Å
204T93.7Very high95.5Very high66 Ų6626.1 Ų26.141%0.40513%0.13SC..Hα-helixtrans-61.6-42.3176.1-60.20000111.2L200 R201 E202 K208L200-T204 WeakPolarHBondContact O-CB 3.18Å; L200-T204 PolarHBondContact O-N 2.89Å; L200-T204 VanDerWaalsContact O-N 3.16Å; L200-T204 PolarHBondContact O-OG1 2.86Å; R201-T204 PolarHBondContact O-N 2.75Å; E202-T204 PolarHBondContact O-N 2.9Å; T204-K208 WeakPolarHBondContact O-CB 3.42Å; T204-K208 PolarHBondContact O-N 3.36Å
205A93.4Very high95Very high18 Ų1829.1 Ų29.115%0.14915%0.15CC..Hα-helixtrans-65.6-40.5175.800000112.1C172 A174 R201 E202 P203 I207 K208 Q209C172-A205 HydrophobicContact CB-CB 4.23Å; A174-A205 HydrophobicContact CB-CB 4Å; R201-A205 WeakPolarHBondContact O-CB 3.25Å; R201-A205 PolarHBondContact O-N 2.94Å; E202-A205 WeakPolarHBondContact O-CA 3.34Å; E202-A205 WeakPolarHBondContact O-CB 3.46Å; E202-A205 PolarHBondContact O-N 2.74Å; P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 2.81Å; A205-I207 PolarHBondContact O-N 2.89Å; A205-K208 PolarHBondContact O-N 3.47Å; A205-Q209 VanDerWaalsContact O-CB 3.32Å; A205-Q209 WeakPolarHBondContact O-CB 3.4Å; A205-Q209 PolarHBondContact O-N 3.26Å
206W95.5Very high94.4Very high3 Ų335.6 Ų35.61%0.01118%0.18CC..Hα-helixtrans-61.3-46.8177.4-51.8-15.4000111.6W74 I76 V108 F111 C172 V177 E202 P203 Q209 L210W74-W206 HydrophobicContact CH2-CB 3.75Å; W74-W206 HydrophobicContact CZ2-CB 4.18Å; W74-W206 HydrophobicContact CZ2-CE3 4.44Å; I76-W206 HydrophobicContact CG2-CE3 4.38Å; I76-W206 HydrophobicContact CG2-CZ3 4.01Å; V108-W206 HydrophobicContact CB-CH2 3.72Å; V108-W206 HydrophobicContact CB-CZ2 3.84Å; V108-W206 HydrophobicContact CG1-CH2 4.06Å; V108-W206 HydrophobicContact CG1-CZ2 3.62Å; V108-W206 HydrophobicContact CG2-CE3 4.47Å; V108-W206 HydrophobicContact CG2-CH2 3.4Å; V108-W206 HydrophobicContact CG2-CZ2 3.69Å; V108-W206 HydrophobicContact CG2-CZ3 3.86Å; F111-W206 HydrophobicContact CB-CH2 4.31Å; F111-W206 HydrophobicContact CB-CZ2 4.21Å; F111-W206 AromaticContact CD1-CH2 3.21Å; F111-W206 HydrophobicContact CD1-CH2 3.21Å; F111-W206 AromaticContact CD1-CZ2 3.76Å; F111-W206 HydrophobicContact CD1-CZ2 3.76Å; F111-W206 HydrophobicContact CD1-CZ3 4.2Å; F111-W206 HydrophobicContact CD2-CZ2 4.37Å; F111-W206 AromaticContact CE1-CH2 3.58Å; F111-W206 HydrophobicContact CE1-CH2 3.58Å; F111-W206 HydrophobicContact CE1-CZ2 4.23Å; F111-W206 HydrophobicContact CE1-CZ3 4.2Å; F111-W206 AromaticContact CG-CH2 3.77Å; F111-W206 HydrophobicContact CG-CH2 3.77Å; F111-W206 AromaticContact CG-CZ2 3.82Å; F111-W206 HydrophobicContact CG-CZ2 3.82Å; F111-W206 HydrophobicContact CZ-CH2 4.42Å; C172-W206 PolarHBondContact O-NE1 3.26Å; V177-W206 HydrophobicContact CB-CB 4.38Å; V177-W206 HydrophobicContact CB-CD2 4.42Å; V177-W206 HydrophobicContact CB-CG 4.1Å; V177-W206 HydrophobicContact CG1-CB 3.87Å; V177-W206 HydrophobicContact CG1-CD2 3.99Å; V177-W206 HydrophobicContact CG1-CE3 4.2Å; V177-W206 HydrophobicContact CG1-CG 3.85Å; V177-W206 HydrophobicContact CG2-CD2 4.2Å; V177-W206 HydrophobicContact CG2-CG 4.28Å; E202-W206 HydrophobicContact CB-CZ2 4.06Å; E202-W206 PolarHBondContact O-N 3.46Å; E202-W206 PolarHBondContact O-NE1 2.85Å; P203-W206 HydrophobicContact CB-CE3 4.29Å; P203-W206 HydrophobicContact CG-CZ3 4.37Å; P203-W206 PolarHBondContact O-N 2.82Å; W206-Q209 PolarHBondContact O-N 3.23Å; W206-L210 WeakPolarHBondContact O-CB 3.44Å; W206-L210 PolarHBondContact O-N 3.19Å
207I96.2Very high93.7Very high9 Ų939.8 Ų39.85%0.04620%0.202CC..Hα-helixtrans-63.8-44.9179.8-70172.2000110.3L41 W74 I76 T195 P203 A205 L210 A211 F220L41-I207 HydrophobicContact CD1-CG2 3.26Å; W74-I207 HydrophobicContact CH2-CG1 4.01Å; W74-I207 HydrophobicContact CZ3-CB 4.47Å; W74-I207 HydrophobicContact CZ3-CG1 3.77Å; I76-I207 HydrophobicContact CD1-CD1 3.84Å; I76-I207 HydrophobicContact CD1-CG1 3.91Å; T195-I207 HydrophobicContact CG2-CD1 3.9Å; T195-I207 HydrophobicContact CG2-CG1 4.18Å; P203-I207 WeakPolarHBondContact O-CB 3.46Å; P203-I207 VanDerWaalsContact O-CG1 3.25Å; P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 3.1Å; A205-I207 PolarHBondContact O-N 2.89Å; I207-L210 PolarHBondContact O-N 3.3Å; I207-A211 WeakPolarHBondContact O-CB 3.42Å; I207-A211 PolarHBondContact O-N 2.9Å; I207-F220 HydrophobicContact CG2-CE1 4.01Å; I207-F220 HydrophobicContact CG2-CZ 3.94Å
208K95Very high93.3Very high132 Ų13240.6 Ų40.657%0.57421%0.207SC*.Hα-helixtrans-60.5-47.7176.3-177.7-179.1170.4-173.60111.4T204 A205 L210 A211 E212T204-K208 WeakPolarHBondContact O-CB 3.42Å; T204-K208 PolarHBondContact O-N 3.36Å; A205-K208 PolarHBondContact O-N 3.47Å; K208-L210 PolarHBondContact O-N 3.48Å; K208-A211 WeakPolarHBondContact O-CB 3.21Å; K208-A211 PolarHBondContact O-N 3.04Å; K208-E212 WeakPolarHBondContact CE-OE1 3.45Å; K208-E212 IonicContact NZ-OE1 2.76Å; K208-E212 WeakPolarHBondContact O-CG 3.4Å; K208-E212 PolarHBondContact O-N 3.25Å
209Q95.7Very high93.1Very high42 Ų4240.4 Ų40.420%0.19621%0.207CC..Hα-helixtrans-62.8-42.5-179.6-173.46453.800112A174 A178 A205 W206 E212 L213A174-Q209 HydrophobicContact CB-CB 4.04Å; A174-Q209 HydrophobicContact CB-CG 4.41Å; A178-Q209 HydrophobicContact CB-CB 3.9Å; A178-Q209 HydrophobicContact CB-CG 3.58Å; A205-Q209 VanDerWaalsContact O-CB 3.32Å; A205-Q209 WeakPolarHBondContact O-CB 3.4Å; A205-Q209 PolarHBondContact O-N 3.26Å; W206-Q209 PolarHBondContact O-N 3.23Å; Q209-E212 PolarHBondContact O-N 3.09Å; Q209-L213 HydrophobicContact CG-CD1 4.43Å; Q209-L213 WeakPolarHBondContact O-CG 3.41Å; Q209-L213 PolarHBondContact O-N 3.42Å; Q209-L213 VanDerWaalsContact O-N 3.13Å
210L96.5Very high93.1Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-62.8-44.2174.3-179.762.9000111.1W74 A178 V181 L182 I185 W206 I207 K208 E212 L213 L214 F220W74-L210 HydrophobicContact CE3-CD2 3.59Å; W74-L210 HydrophobicContact CH2-CD2 4.35Å; W74-L210 HydrophobicContact CZ3-CB 4.2Å; W74-L210 HydrophobicContact CZ3-CD2 3.46Å; W74-L210 VanDerWaalsContact CZ3-CD2 3.46Å; W74-L210 HydrophobicContact CZ3-CG 4.48Å; A178-L210 HydrophobicContact CB-CB 4.02Å; V181-L210 HydrophobicContact CB-CD2 4.36Å; V181-L210 HydrophobicContact CG1-CD1 4.47Å; V181-L210 HydrophobicContact CG1-CD2 3.74Å; L182-L210 HydrophobicContact CB-CD1 4.16Å; I185-L210 HydrophobicContact CD1-CD1 4.22Å; I185-L210 HydrophobicContact CD1-CD2 4.41Å; W206-L210 WeakPolarHBondContact O-CB 3.44Å; W206-L210 PolarHBondContact O-N 3.19Å; I207-L210 PolarHBondContact O-N 3.3Å; K208-L210 PolarHBondContact O-N 3.48Å; L210-E212 VanDerWaalsContact C-N 3.27Å; L210-E212 PolarHBondContact O-N 3.43Å; L210-L213 PolarHBondContact O-N 3.1Å; L210-L213 VanDerWaalsContact O-N 3.16Å; L210-L214 HydrophobicContact CD1-CD1 4.42Å; L210-L214 HydrophobicContact CD1-CD2 4.33Å; L210-L214 HydrophobicContact CD1-CG 4.09Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.14Å; L210-L214 VanDerWaalsContact O-CG 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 2.85Å; L210-F220 HydrophobicContact CB-CE1 4.3Å; L210-F220 HydrophobicContact CD2-CE1 4.09Å; L210-F220 HydrophobicContact CD2-CZ 4.02Å; L210-F220 HydrophobicContact CG-CE1 4.23Å
211A95.7Very high93.2Very high16 Ų1640.9 Ų40.913%0.13221%0.21CC..Hα-helixtrans-57.7-40.5176.500000111.9K42 I207 K208 F220K42-A211 WeakPolarHBondContact CD-O 3.47Å; K42-A211 WeakPolarHBondContact CE-O 3.37Å; K42-A211 PolarHBondContact NZ-O 2.9Å; I207-A211 WeakPolarHBondContact O-CB 3.42Å; I207-A211 PolarHBondContact O-N 2.9Å; K208-A211 WeakPolarHBondContact O-CB 3.21Å; K208-A211 PolarHBondContact O-N 3.04Å; A211-F220 HydrophobicContact CB-CD1 3.86Å; A211-F220 HydrophobicContact CB-CE1 4.11Å
212E95.3Very high93.5Very high107 Ų10738.8 Ų38.850%0.520%0.202SC..Hα-helixtrans-64.1-40.2176.5-72.1172-176.300112.5K208 Q209 L210K208-E212 WeakPolarHBondContact CE-OE1 3.45Å; K208-E212 IonicContact NZ-OE1 2.76Å; K208-E212 WeakPolarHBondContact O-CG 3.4Å; K208-E212 PolarHBondContact O-N 3.25Å; Q209-E212 PolarHBondContact O-N 3.09Å; L210-E212 VanDerWaalsContact C-N 3.27Å; L210-E212 PolarHBondContact O-N 3.43Å
213L94.9Very high93.9Very high57 Ų5737.4 Ų37.430%0.29820%0.195SC..Hα-helixtrans-77.6-22.8-178.8-65.3174.8000114.4A178 Q179 L182 Q209 L210A178-L213 HydrophobicContact CB-CD1 3.87Å; Q179-L213 HydrophobicContact CG-CD1 4.43Å; L182-L213 HydrophobicContact CD2-CB 4.06Å; L182-L213 HydrophobicContact CD2-CD1 4.41Å; Q209-L213 HydrophobicContact CG-CD1 4.43Å; Q209-L213 WeakPolarHBondContact O-CG 3.41Å; Q209-L213 PolarHBondContact O-N 3.42Å; Q209-L213 VanDerWaalsContact O-N 3.13Å; L210-L213 PolarHBondContact O-N 3.1Å; L210-L213 VanDerWaalsContact O-N 3.16Å
214L92.7Very high94.1Very high4 Ų437.4 Ų37.42%0.02120%0.195CC..SBendtrans-68.4140-177.1-79168.8000112K42 L182 I185 I193 L210 I218 F220K42-L214 HydrophobicContact CD-CB 4.39Å; K42-L214 VanDerWaalsContact CE-O 3.31Å; K42-L214 WeakPolarHBondContact CE-O 3.47Å; K42-L214 PolarHBondContact NZ-O 3.25Å; L182-L214 HydrophobicContact CD1-CD2 4.05Å; I185-L214 HydrophobicContact CD1-CD2 4.15Å; I193-L214 HydrophobicContact CD1-CD1 3.44Å; I193-L214 VanDerWaalsContact CD1-CD1 3.44Å; I193-L214 HydrophobicContact CD1-CD2 3.42Å; I193-L214 VanDerWaalsContact CD1-CD2 3.42Å; I193-L214 HydrophobicContact CD1-CG 4.08Å; L210-L214 HydrophobicContact CD1-CD1 4.42Å; L210-L214 HydrophobicContact CD1-CD2 4.33Å; L210-L214 HydrophobicContact CD1-CG 4.09Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.14Å; L210-L214 VanDerWaalsContact O-CG 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 2.85Å; L214-I218 HydrophobicContact CD2-CD1 4.38Å; L214-I218 HydrophobicContact CD2-CG2 4.3Å; L214-F220 HydrophobicContact CD1-CB 3.93Å; L214-F220 HydrophobicContact CD1-CD1 3.66Å; L214-F220 HydrophobicContact CD1-CE1 4.37Å; L214-F220 HydrophobicContact CD1-CG 3.94Å
215P88.4Confident94.3Very high63 Ų6334.4 Ų34.441%0.40918%0.177SC..  trans-54144.1167.3-27.936.4000112.8N217 I218P215-N217 WeakPolarHBondContact CB-OD1 3.31Å; P215-N217 PolarHBondContact O-N 2.64Å; P215-N217 VanDerWaalsContact O-N 3.08Å; P215-I218 HydrophobicContact CB-CD1 4.33Å; P215-I218 HydrophobicContact CG-CD1 4.04Å; P215-I218 PolarHBondContact O-N 3.35Å
216E85.8Confident94.5Very high136 Ų13633.7 Ų33.764%0.63617%0.171SC*.THydrogen-bonded Turntrans-59.7-22.4-177.9-69-55.2139.500114.2K42 G43 P44K42-E216 WeakPolarHBondContact CE-OE1 3.49Å; K42-E216 WeakPolarHBondContact CE-OE2 3.44Å; K42-E216 IonicContact NZ-OE1 3.86Å; K42-E216 PolarHBondContact NZ-OE1 3.14Å; G43-E216 WeakPolarHBondContact CA-O 3.33Å; P44-E216 WeakPolarHBondContact CD-O 3.2Å
217N84.1Confident94.7Very high88 Ų8833.7 Ų33.747%0.47117%0.171SC..THydrogen-bonded Turntrans-82.9-15.2178.965.9-37.5000113.3P44 P48 P215 P219P44-N217 WeakPolarHBondContact CD-O 3.49Å; P48-N217 HydrophobicContact CB-CB 3.97Å; P48-N217 WeakPolarHBondContact CB-O 3.31Å; P48-N217 WeakPolarHBondContact CG-O 3.37Å; P215-N217 WeakPolarHBondContact CB-OD1 3.31Å; P215-N217 PolarHBondContact O-N 2.64Å; P215-N217 VanDerWaalsContact O-N 3.08Å; N217-P219 VanDerWaalsContact O-CD 3.29Å; N217-P219 WeakPolarHBondContact O-CD 3.42Å
218I90.2Very high94.8Very high19 Ų1933.3 Ų33.310%0.09717%0.169CC..SBendtrans-86.3115.7-178.8-67.8170.7000110.1I193 L214 P215 F220I193-I218 HydrophobicContact CD1-CG2 3.6Å; I193-I218 HydrophobicContact CG1-CG2 4.17Å; L214-I218 HydrophobicContact CD2-CD1 4.38Å; L214-I218 HydrophobicContact CD2-CG2 4.3Å; P215-I218 HydrophobicContact CB-CD1 4.33Å; P215-I218 HydrophobicContact CG-CD1 4.04Å; P215-I218 PolarHBondContact O-N 3.35Å; I218-F220 PolarHBondContact O-N 2.79Å
219P92.9Very high95Very high7 Ų727 Ų275%0.04514%0.142CC..  trans-66.2130.7173.8-19.434.5000110.6K42 P44 H46 S191 I193 N217K42-P219 WeakPolarHBondContact O-CA 3.41Å; P44-P219 HydrophobicContact CG-CG 4.17Å; P44-P219 WeakPolarHBondContact O-CB 3.17Å; P44-P219 WeakPolarHBondContact O-CG 3.44Å; H46-P219 WeakPolarHBondContact O-CG 3.24Å; S191-P219 WeakPolarHBondContact O-CD 3.32Å; I193-P219 PolarHBondContact N-O 3.15Å; N217-P219 VanDerWaalsContact O-CD 3.29Å; N217-P219 WeakPolarHBondContact O-CD 3.42Å
220F96.2Very high95.1Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-124.5115.2173.6-173.1-164000109.7L41 K42 W74 I193 T195 I207 L210 A211 L214 I218L41-F220 WeakPolarHBondContact CA-O 3.05Å; L41-F220 HydrophobicContact CB-CD1 4.34Å; L41-F220 HydrophobicContact CB-CG 4.47Å; L41-F220 WeakPolarHBondContact CB-O 3.48Å; L41-F220 HydrophobicContact CD1-CD1 4.19Å; L41-F220 HydrophobicContact CD1-CE1 4.04Å; L41-F220 HydrophobicContact CD1-CE2 4.41Å; L41-F220 HydrophobicContact CD1-CG 4.46Å; L41-F220 HydrophobicContact CD1-CZ 4.15Å; L41-F220 PolarHBondContact N-O 3.3Å; K42-F220 HydrophobicContact CB-CB 4.19Å; K42-F220 PolarHBondContact N-O 2.93Å; K42-F220 PolarHBondContact O-N 3.46Å; W74-F220 HydrophobicContact CE3-CE2 4.46Å; W74-F220 HydrophobicContact CE3-CZ 4Å; W74-F220 AromaticContact CZ3-CZ 3.98Å; W74-F220 HydrophobicContact CZ3-CZ 3.98Å; I193-F220 HydrophobicContact CB-CD2 3.76Å; I193-F220 HydrophobicContact CB-CE2 4.3Å; I193-F220 HydrophobicContact CB-CG 4.4Å; I193-F220 HydrophobicContact CG2-CD2 3.58Å; I193-F220 HydrophobicContact CG2-CE2 3.59Å; I193-F220 HydrophobicContact CG2-CG 4.49Å; I193-F220 HydrophobicContact CG2-CZ 4.49Å; I193-F220 WeakPolarHBondContact O-CA 3.13Å; T195-F220 HydrophobicContact CG2-CE2 3.47Å; T195-F220 VanDerWaalsContact CG2-CE2 3.47Å; T195-F220 HydrophobicContact CG2-CZ 3.75Å; I207-F220 HydrophobicContact CG2-CE1 4.01Å; I207-F220 HydrophobicContact CG2-CZ 3.94Å; L210-F220 HydrophobicContact CB-CE1 4.3Å; L210-F220 HydrophobicContact CD2-CE1 4.09Å; L210-F220 HydrophobicContact CD2-CZ 4.02Å; L210-F220 HydrophobicContact CG-CE1 4.23Å; A211-F220 HydrophobicContact CB-CD1 3.86Å; A211-F220 HydrophobicContact CB-CE1 4.11Å; L214-F220 HydrophobicContact CD1-CB 3.93Å; L214-F220 HydrophobicContact CD1-CD1 3.66Å; L214-F220 HydrophobicContact CD1-CE1 4.37Å; L214-F220 HydrophobicContact CD1-CG 3.94Å; I218-F220 PolarHBondContact O-N 2.79Å
221C97.7Very high95.2Very high14 Ų1425.2 Ų25.210%0.09513%0.134CC..EExtended strand (participates in β ladder)trans-116.5147179.3-60.10000111.3V38 R39 F89 I193 I194 T195V38-C221 HydrophobicContact CG1-CB 3.86Å; R39-C221 CarbonylContact O-C 3.58Å; R39-C221 WeakPolarHBondContact O-CA 3.37Å; F89-C221 HydrophobicContact CE1-CB 4.38Å; I193-C221 PolarHBondContact O-N 2.94Å; I194-C221 CarbonylContact C-O 3.34Å; I194-C221 WeakPolarHBondContact CA-O 3.24Å; I194-C221 HydrophobicContact CD1-CB 3.75Å; T195-C221 PolarHBondContact N-O 3.45Å
222Q98.3Very high95.3Very high4 Ų426.9 Ų26.92%0.01914%0.137CC..EExtended strand (participates in β ladder)trans-112.5141169.1-177174.748.200110.7V38 R39 L41 T195 D196 F197 W232V38-Q222 WeakPolarHBondContact CA-O 3.29Å; R39-Q222 HydrophobicContact CG-CB 4.03Å; R39-Q222 PolarHBondContact N-O 3.38Å; R39-Q222 PolarHBondContact O-N 3.32Å; L41-Q222 HydrophobicContact CD1-CB 3.83Å; L41-Q222 HydrophobicContact CD2-CB 4.35Å; L41-Q222 HydrophobicContact CG-CB 4.08Å; T195-Q222 HydrophobicContact CG2-CB 4.03Å; T195-Q222 HydrophobicContact CG2-CG 4.05Å; T195-Q222 CarbonylContact O-C 3.51Å; T195-Q222 VanDerWaalsContact O-CA 3.3Å; T195-Q222 WeakPolarHBondContact O-CA 3.26Å; D196-Q222 PolarHBondContact O-NE2 3.02Å; F197-Q222 HydrophobicContact CB-CG 4.32Å; Q222-W232 HydrophobicContact CG-CH2 4.35Å
223V98.8Very high95.4Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-121.1128.6-179.6-177.90000110.5Y33 R37 V38 W85 A86 F89 I194 T195 D196 F197 A225Y33-V223 WeakPolarHBondContact OH-CG1 3.48Å; R37-V223 HydrophobicContact CB-CG1 4.17Å; R37-V223 CarbonylContact O-C 3.56Å; R37-V223 VanDerWaalsContact O-CA 3.25Å; R37-V223 WeakPolarHBondContact O-CA 3.37Å; V38-V223 HydrophobicContact CG1-CG2 4.3Å; V38-V223 HydrophobicContact CG2-CG2 4.13Å; W85-V223 HydrophobicContact CB-CG1 4.19Å; A86-V223 HydrophobicContact CB-CB 3.81Å; A86-V223 HydrophobicContact CB-CG1 4.15Å; A86-V223 HydrophobicContact CB-CG2 4.4Å; F89-V223 HydrophobicContact CB-CG2 4.26Å; F89-V223 HydrophobicContact CD1-CG2 3.84Å; F89-V223 HydrophobicContact CG-CG2 4.32Å; I194-V223 HydrophobicContact CG2-CG2 3.77Å; T195-V223 PolarHBondContact O-N 2.97Å; D196-V223 CarbonylContact C-O 3.59Å; D196-V223 WeakPolarHBondContact CA-O 3.31Å; F197-V223 WeakPolarHBondContact CB-O 3.39Å; F197-V223 PolarHBondContact N-O 3.2Å; V223-A225 HydrophobicContact CG1-CB 4.38Å; V223-A225 PolarHBondContact O-N 3.41Å; V223-A225 VanDerWaalsContact O-N 3.08Å
224D98.7Very high95.6Very high0 Ų022.5 Ų22.50%012%0.115CC..  trans-77.694.2164.5-163.6-21.9000110.2R37 F197 H226 N227 P230 V231 W232R37-D224 PolarHBondContact O-N 2.86Å; F197-D224 HydrophobicContact CB-CB 4.12Å; F197-D224 HydrophobicContact CD1-CB 4.24Å; F197-D224 VanDerWaalsContact CD1-CG 3.5Å; F197-D224 WeakPolarHBondContact CD1-OD2 3.26Å; F197-D224 HydrophobicContact CG-CB 4.43Å; D224-H226 PolarHBondContact OD1-N 3.27Å; D224-N227 WeakPolarHBondContact OD1-CB 3.5Å; D224-N227 PolarHBondContact OD1-N 3.08Å; D224-N227 PolarHBondContact OD1-ND2 3.44Å; D224-N227 WeakPolarHBondContact OD2-CB 3.37Å; D224-N227 PolarHBondContact OD2-ND2 3.49Å; D224-P230 HydrophobicContact CB-CB 3.77Å; D224-P230 HydrophobicContact CB-CG 4.33Å; D224-P230 VanDerWaalsContact OD2-CA 3.28Å; D224-P230 WeakPolarHBondContact OD2-CA 3.37Å; D224-V231 PolarHBondContact OD2-N 3.38Å; D224-W232 HydrophobicContact CB-CH2 3.83Å; D224-W232 HydrophobicContact CB-CZ2 3.95Å; D224-W232 HydrophobicContact CB-CZ3 4.41Å
225A98.2Very high95.8Very high3 Ų322.4 Ų22.43%0.02512%0.115CC..  trans-99.6-3178.400000113.7D78 R80 W85 A86 V223D78-A225 VanDerWaalsContact OD2-C 3.25Å; D78-A225 VanDerWaalsContact OD2-CB 3.3Å; D78-A225 WeakPolarHBondContact OD2-CB 3.47Å; R80-A225 PolarHBondContact NH2-O 2.86Å; W85-A225 HydrophobicContact CB-CB 3.91Å; A86-A225 HydrophobicContact CB-CB 3.78Å; V223-A225 HydrophobicContact CG1-CB 4.38Å; V223-A225 PolarHBondContact O-N 3.41Å; V223-A225 VanDerWaalsContact O-N 3.08Å
226H98.2Very high96.2Very high4 Ų425.6 Ų25.62%0.01913%0.128CC..SBendtrans-98.3-37.5-177.7-159.466.3000111.7R77 D78 D224 F339 R375 D379R77-H226 PolarHBondContact NE-CD2 3.24Å; R77-H226 PolarHBondContact NH1-CD2 3.28Å; R77-H226 PolarHBondContact NH2-CD2 2.92Å; R77-H226 PolarHBondContact NH2-NE2 2.89Å; D78-H226 IonicContact OD1-CE1 3.43Å; D78-H226 IonicContact OD1-CG 2.84Å; D78-H226 IonicContact OD1-ND1 2.88Å; D78-H226 PolarHBondContact OD1-ND1 3.26Å; D78-H226 PolarHBondContact OD2-N 3.08Å; D224-H226 PolarHBondContact OD1-N 3.27Å; H226-F339 PolarHBondContact CE1-O 3.13Å; H226-R375 PolarHBondContact CD2-NH1 3Å; H226-R375 PolarHBondContact NE2-NH1 3.42Å; H226-R375 PolarHBondContact O-NH1 3.21Å; H226-R375 PolarHBondContact O-NH2 3.24Å; H226-D379 IonicContact CD2-OD2 3.35Å
227N98.7Very high96.8Very high3 Ų323.4 Ų23.42%0.01612%0.118CC..  trans-90.7143.6-179.9-60.7-44.3000112.7R37 D224 V229 R375 E376 D379R37-N227 PolarHBondContact NH1-O 3.46Å; D224-N227 WeakPolarHBondContact OD1-CB 3.5Å; D224-N227 PolarHBondContact OD1-N 3.08Å; D224-N227 PolarHBondContact OD1-ND2 3.44Å; D224-N227 WeakPolarHBondContact OD2-CB 3.37Å; D224-N227 PolarHBondContact OD2-ND2 3.49Å; N227-V229 VanDerWaalsContact C-N 3.31Å; N227-V229 WeakPolarHBondContact CB-O 3.29Å; N227-R375 PolarHBondContact OD1-NH1 3.21Å; N227-R375 PolarHBondContact OD1-NH2 3.26Å; N227-E376 HydrophobicContact CB-CG 4.19Å; N227-E376 WeakPolarHBondContact OD1-CG 3.44Å; N227-D379 PolarHBondContact ND2-OD2 3.49Å; N227-D379 PolarHBondContact OD1-OD2 2.9Å
228V98.8Very high97.5Very high0 Ų021.3 Ų21.30%011%0.106CC..SBendtrans-62.3-47.7170.6176.30000108.3R37 A253 M257 Q347 I350 F372 E376R37-V228 PolarHBondContact NH1-O 3.05Å; R37-V228 PolarHBondContact NH2-O 3.11Å; V228-A253 HydrophobicContact CG1-CB 4.26Å; V228-M257 HydrophobicContact CB-CE 4.47Å; V228-M257 HydrophobicContact CG1-CB 3.85Å; V228-M257 HydrophobicContact CG1-CE 3.69Å; V228-M257 HydrophobicContact CG1-CG 4.23Å; V228-M257 HydrophobicContact CG2-CE 4.15Å; V228-Q347 HydrophobicContact CG2-CB 3.88Å; V228-Q347 HydrophobicContact CG2-CG 4.25Å; V228-I350 HydrophobicContact CG2-CD1 4.01Å; V228-F372 HydrophobicContact CB-CD2 4.1Å; V228-F372 HydrophobicContact CB-CE2 3.72Å; V228-F372 HydrophobicContact CG1-CE2 4.14Å; V228-F372 HydrophobicContact CG2-CD2 4.07Å; V228-F372 HydrophobicContact CG2-CE2 4.2Å; V228-E376 WeakPolarHBondContact CB-OE1 3.37Å; V228-E376 PolarHBondContact N-OE1 3.28Å
229V98.8Very high97.9Very high0 Ų020.6 Ų20.60%010%0.103CC..SBendtrans-106.6118.9172.2-173.60000108.3N227 V231 A234 L249 K252 A253 L256 F372 E376N227-V229 VanDerWaalsContact C-N 3.31Å; N227-V229 WeakPolarHBondContact CB-O 3.29Å; V229-V231 PolarHBondContact O-N 2.95Å; V229-A234 HydrophobicContact CB-CB 4.29Å; V229-A234 HydrophobicContact CG1-CB 3.77Å; V229-L249 HydrophobicContact CB-CD2 3.9Å; V229-L249 HydrophobicContact CG1-CD2 4.42Å; V229-L249 HydrophobicContact CG2-CD2 4.11Å; V229-K252 HydrophobicContact CG1-CB 3.8Å; V229-K252 HydrophobicContact CG1-CD 4.17Å; V229-K252 HydrophobicContact CG2-CB 4.16Å; V229-A253 HydrophobicContact CG2-CB 4Å; V229-L256 HydrophobicContact CB-CD1 4.34Å; V229-L256 HydrophobicContact CG1-CD1 4.02Å; V229-L256 HydrophobicContact CG2-CD1 4.23Å; V229-F372 HydrophobicContact CG2-CE2 4.22Å; V229-F372 HydrophobicContact CG2-CZ 4.14Å; V229-E376 PolarHBondContact N-OE2 3.49Å
230P98.8Very high98.1Very high0 Ų023.3 Ų23.30%011%0.113CC..  trans-51.1137.1-179.4-29.436.2000112.1R37 D224 W232 H233 A234R37-P230 VanDerWaalsContact CA-CG 3.5Å; R37-P230 HydrophobicContact CB-CG 4.06Å; R37-P230 HydrophobicContact CG-CG 3.7Å; D224-P230 HydrophobicContact CB-CB 3.77Å; D224-P230 HydrophobicContact CB-CG 4.33Å; D224-P230 VanDerWaalsContact OD2-CA 3.28Å; D224-P230 WeakPolarHBondContact OD2-CA 3.37Å; P230-W232 VanDerWaalsContact C-N 3.27Å; P230-W232 HydrophobicContact CB-CZ2 4.48Å; P230-W232 PolarHBondContact O-N 2.88Å; P230-W232 VanDerWaalsContact O-N 3.15Å; P230-H233 HydrophobicContact CB-CB 3.87Å; P230-H233 HydrophobicContact CG-CB 4.28Å; P230-H233 CarbonylContact O-C 3.52Å; P230-H233 VanDerWaalsContact O-CA 3.31Å; P230-H233 WeakPolarHBondContact O-CA 3.25Å; P230-H233 WeakPolarHBondContact O-CB 3.36Å; P230-H233 PolarHBondContact O-N 2.82Å; P230-A234 PolarHBondContact O-N 3.16Å
231V98.7Very high98.2Very high4 Ų423.8 Ų23.82%0.02412%0.116CC..Hα-helixtrans-54.8-42.6-169.572.40000112.9F197 D224 V229 H233 A234 S235 N380 Y383F197-V231 HydrophobicContact CD1-CG1 4.28Å; F197-V231 HydrophobicContact CE1-CB 3.8Å; F197-V231 HydrophobicContact CE1-CG1 3.51Å; F197-V231 HydrophobicContact CE1-CG2 4.49Å; F197-V231 HydrophobicContact CE2-CG1 3.92Å; F197-V231 HydrophobicContact CZ-CB 3.97Å; F197-V231 HydrophobicContact CZ-CG1 3.29Å; F197-V231 HydrophobicContact CZ-CG2 4.41Å; D224-V231 PolarHBondContact OD2-N 3.38Å; V229-V231 PolarHBondContact O-N 2.95Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H233 PolarHBondContact O-N 3.48Å; V231-A234 PolarHBondContact O-N 3.36Å; V231-S235 PolarHBondContact O-N 3.4Å; V231-N380 HydrophobicContact CG2-CB 4.31Å; V231-Y383 HydrophobicContact CG1-CD1 4.05Å; V231-Y383 HydrophobicContact CG1-CD2 4.04Å; V231-Y383 HydrophobicContact CG1-CE1 4.31Å; V231-Y383 HydrophobicContact CG1-CE2 4.29Å; V231-Y383 HydrophobicContact CG1-CG 3.91Å; V231-Y383 HydrophobicContact CG2-CD1 4.13Å; V231-Y383 HydrophobicContact CG2-CG 4.1Å
232W97.3Very high98.2Very high51 Ų5123.2 Ų23.219%0.19311%0.112CC..Hα-helixtrans-75.9-20.617949.875.9000112.5C36 R37 R39 F197 Q222 D224 P230C36-W232 PolarHBondContact O-NE1 3.2Å; R37-W232 WeakPolarHBondContact O-CZ2 3.45Å; R39-W232 HydrophobicContact CB-CZ2 4.3Å; R39-W232 HydrophobicContact CG-CH2 3.99Å; R39-W232 HydrophobicContact CG-CZ2 3.98Å; R39-W232 HydrophobicContact CG-CZ3 4.41Å; F197-W232 HydrophobicContact CB-CH2 4.28Å; F197-W232 HydrophobicContact CB-CZ3 4.32Å; F197-W232 AromaticContact CD2-CZ3 3.74Å; F197-W232 HydrophobicContact CD2-CZ3 3.74Å; F197-W232 HydrophobicContact CE2-CZ3 4.23Å; F197-W232 HydrophobicContact CG-CH2 4.41Å; F197-W232 AromaticContact CG-CZ3 3.97Å; F197-W232 HydrophobicContact CG-CZ3 3.97Å; Q222-W232 HydrophobicContact CG-CH2 4.35Å; D224-W232 HydrophobicContact CB-CH2 3.83Å; D224-W232 HydrophobicContact CB-CZ2 3.95Å; D224-W232 HydrophobicContact CB-CZ3 4.41Å; P230-W232 VanDerWaalsContact C-N 3.27Å; P230-W232 HydrophobicContact CB-CZ2 4.48Å; P230-W232 PolarHBondContact O-N 2.88Å; P230-W232 VanDerWaalsContact O-N 3.15Å
233H97.8Very high98.2Very high69 Ų6931.3 Ų31.332%0.31914%0.143SC..Hα-helixtrans-86.9-29.3172.4-168.364.4000111.5P230 V231 K252P230-H233 HydrophobicContact CB-CB 3.87Å; P230-H233 HydrophobicContact CG-CB 4.28Å; P230-H233 CarbonylContact O-C 3.52Å; P230-H233 VanDerWaalsContact O-CA 3.31Å; P230-H233 WeakPolarHBondContact O-CA 3.25Å; P230-H233 WeakPolarHBondContact O-CB 3.36Å; P230-H233 PolarHBondContact O-N 2.82Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H233 PolarHBondContact O-N 3.48Å; H233-K252 WeakPolarHBondContact O-CD 3.41Å; H233-K252 WeakPolarHBondContact O-CE 3.37Å; H233-K252 PolarHBondContact O-NZ 3.31Å
234A98.1Very high98.1Very high3 Ų333.1 Ų33.13%0.02515%0.154CC..Hα-helixtrans-65.6-52.3-179.500000111.1V229 P230 V231 L249 K252V229-A234 HydrophobicContact CB-CB 4.29Å; V229-A234 HydrophobicContact CG1-CB 3.77Å; P230-A234 PolarHBondContact O-N 3.16Å; V231-A234 PolarHBondContact O-N 3.36Å; A234-L249 HydrophobicContact CB-CD2 3.69Å; A234-K252 PolarHBondContact O-NZ 2.83Å
235S98.1Very high98.1Very high3 Ų333.2 Ų33.22%0.02115%0.154CC..  trans-148.3150.2175.7-162.80000110.5V231 H237 E239 K248 Y384V231-S235 PolarHBondContact O-N 3.4Å; S235-H237 PolarHBondContact OG-O 2.9Å; S235-E239 WeakPolarHBondContact CB-OE1 3.41Å; S235-E239 PolarHBondContact OG-OE1 3.02Å; S235-K248 PolarHBondContact OG-NZ 3.48Å; S235-Y384 PolarHBondContact O-OH 3.45Å
236D96.4Very high98.1Very high129 Ų12936.2 Ų36.269%0.6917%0.165SC*.SBendtrans-90.21.1177.158.1-14.8000113.1Y384D236-Y384 WeakPolarHBondContact CA-OH 3.21Å
237H98.1Very high98.1Very high91 Ų9139.8 Ų39.842%0.42119%0.189SC..SBendtrans-147.5171.8179.657.4-83.5000112.7S235 E239 K248 N380 Y384S235-H237 PolarHBondContact OG-O 2.9Å; H237-E239 IonicContact NE2-OE1 2.91Å; H237-E239 PolarHBondContact O-N 3.49Å; H237-K248 PolarHBondContact CE1-NZ 2.57Å; H237-K248 VanDerWaalsContact CE1-NZ 3.32Å; H237-N380 PolarHBondContact O-ND2 3.07Å; H237-Y384 VanDerWaalsContact C-CD2 3.43Å; H237-Y384 WeakPolarHBondContact O-CD2 3.37Å; H237-Y384 WeakPolarHBondContact O-CE2 3.43Å
238L98.2Very high98.1Very high43 Ų4342.3 Ų42.323%0.22520%0.2CC..  trans-64.7120.7171.8-176.565000110.7F381 N385 W395L238-F381 HydrophobicContact CD1-CB 4.34Å; L238-F381 HydrophobicContact CD1-CD2 3.77Å; L238-F381 HydrophobicContact CD1-CE2 4.5Å; L238-F381 HydrophobicContact CD1-CG 4.36Å; L238-N385 HydrophobicContact CD1-CB 4.27Å; L238-N385 HydrophobicContact CD2-CB 4.37Å; L238-W395 HydrophobicContact CD2-CH2 4.28Å; L238-W395 HydrophobicContact CD2-CZ2 4.2Å; L238-W395 HydrophobicContact CG-CZ2 4.42Å
239E98.6Very high98.1Very high4 Ų442.3 Ų42.32%0.01920%0.2CC..  trans-83.1138.6-179.3-69.9-73.8169.900112.2S235 H237 T244 I245 K248 L377 N380S235-E239 WeakPolarHBondContact CB-OE1 3.41Å; S235-E239 PolarHBondContact OG-OE1 3.02Å; H237-E239 IonicContact NE2-OE1 2.91Å; H237-E239 PolarHBondContact O-N 3.49Å; E239-T244 VanDerWaalsContact OE2-C 3.3Å; E239-T244 WeakPolarHBondContact OE2-CB 3.46Å; E239-T244 PolarHBondContact OE2-OG1 2.94Å; E239-I245 HydrophobicContact CB-CB 4.13Å; E239-I245 HydrophobicContact CB-CD1 4.47Å; E239-I245 HydrophobicContact CB-CG1 4.5Å; E239-I245 HydrophobicContact CG-CB 3.78Å; E239-I245 HydrophobicContact CG-CD1 3.92Å; E239-I245 HydrophobicContact CG-CG1 3.75Å; E239-I245 PolarHBondContact OE2-N 3.25Å; E239-K248 WeakPolarHBondContact OE1-CD 3.34Å; E239-K248 WeakPolarHBondContact OE1-CE 3.23Å; E239-K248 IonicContact OE1-NZ 3.65Å; E239-K248 PolarHBondContact OE1-NZ 2.86Å; E239-L377 HydrophobicContact CB-CD1 3.7Å; E239-N380 WeakPolarHBondContact CB-OD1 3.27Å; E239-N380 PolarHBondContact N-OD1 3.39Å
240Y97.2Very high98.1Very high65 Ų6546.1 Ų46.126%0.25522%0.217SC..SBendtrans-70.6-41.8-177.2-176.4-89.2000112.8T244 W395 W397 H497 D498Y240-T244 PolarHBondContact N-OG1 3.46Å; Y240-W395 AromaticContact CD2-CD1 3.97Å; Y240-W395 AromaticContact CD2-CD2 3.82Å; Y240-W395 HydrophobicContact CD2-CD2 3.82Å; Y240-W395 AromaticContact CD2-CE2 3.36Å; Y240-W395 HydrophobicContact CD2-CE3 4.44Å; Y240-W395 HydrophobicContact CD2-CG 4.21Å; Y240-W395 HydrophobicContact CD2-CH2 4.31Å; Y240-W395 AromaticContact CD2-CZ2 3.67Å; Y240-W395 HydrophobicContact CD2-CZ2 3.67Å; Y240-W395 AromaticContact CD2-NE1 3.44Å; Y240-W395 AromaticContact CE2-CD1 3.61Å; Y240-W395 AromaticContact CE2-CD2 3.82Å; Y240-W395 HydrophobicContact CE2-CD2 3.82Å; Y240-W395 AromaticContact CE2-CE2 3.77Å; Y240-W395 AromaticContact CE2-CG 3.77Å; Y240-W395 HydrophobicContact CE2-CG 3.77Å; Y240-W395 HydrophobicContact CE2-CZ2 4.5Å; Y240-W395 AromaticContact CE2-NE1 3.59Å; Y240-W395 HydrophobicContact CG-CZ2 4.36Å; Y240-W397 PolarHBondContact OH-NE1 2.86Å; Y240-H497 WeakPolarHBondContact O-CA 3.46Å; Y240-H497 PolarHBondContact O-CD2 2.94Å; Y240-D498 PolarHBondContact OH-O 3.33Å
241A97.7Very high98Very high9 Ų952.5 Ų52.57%0.07425%0.247CC..SBendtrans-162.4172.5-176.400000111.6R243 T244 I245A241-R243 HydrophobicContact CB-CG 4.33Å; A241-R243 PolarHBondContact O-N 3.35Å; A241-T244 PolarHBondContact N-OG1 3.01Å; A241-T244 PolarHBondContact O-N 3Å; A241-T244 PolarHBondContact O-OG1 2.89Å; A241-I245 PolarHBondContact O-N 3.44Å
242A98.3Very high98Very high2 Ų255.1 Ų55.12%0.01726%0.258CS..Hα-helixtrans-54.7-31.9178.300000113.5T244 R246 I373 R374 L377A242-T244 VanDerWaalsContact C-N 3.27Å; A242-T244 PolarHBondContact O-N 3.28Å; A242-R246 WeakPolarHBondContact O-CB 3.29Å; A242-R246 PolarHBondContact O-N 3.16Å; A242-R246 PolarHBondContact O-NH1 2.8Å; A242-I373 HydrophobicContact CB-CG2 4.12Å; A242-R374 VanDerWaalsContact CB-CZ 3.47Å; A242-L377 HydrophobicContact CB-CD2 4.06Å
243R97.9Very high98Very high174 Ų17453 Ų5366%0.65725%0.252SS*.Hα-helixtrans-63.9-26.4176.671.5-178.1178.188.81.7114.4A241 P247A241-R243 HydrophobicContact CB-CG 4.33Å; A241-R243 PolarHBondContact O-N 3.35Å; R243-P247 WeakPolarHBondContact O-CD 3.34Å
244T98.1Very high97.7Very high39 Ų3956.1 Ų56.124%0.23927%0.271CS..Hα-helixtrans-89.6-35-176.3620000111.8E239 Y240 A241 A242E239-T244 VanDerWaalsContact OE2-C 3.3Å; E239-T244 WeakPolarHBondContact OE2-CB 3.46Å; E239-T244 PolarHBondContact OE2-OG1 2.94Å; Y240-T244 PolarHBondContact N-OG1 3.46Å; A241-T244 PolarHBondContact N-OG1 3.01Å; A241-T244 PolarHBondContact O-N 3Å; A241-T244 PolarHBondContact O-OG1 2.89Å; A242-T244 VanDerWaalsContact C-N 3.27Å; A242-T244 PolarHBondContact O-N 3.28Å
245I98.5Very high97.2Very high1 Ų162.4 Ų62.41%0.00530%0.304CS..Hα-helixtrans-84.9-30.7178.5-153.2177.8000113.4E239 A241 K248 L249 I373 L377 N380E239-I245 HydrophobicContact CB-CB 4.13Å; E239-I245 HydrophobicContact CB-CD1 4.47Å; E239-I245 HydrophobicContact CB-CG1 4.5Å; E239-I245 HydrophobicContact CG-CB 3.78Å; E239-I245 HydrophobicContact CG-CD1 3.92Å; E239-I245 HydrophobicContact CG-CG1 3.75Å; E239-I245 PolarHBondContact OE2-N 3.25Å; A241-I245 PolarHBondContact O-N 3.44Å; I245-K248 WeakPolarHBondContact O-CB 3.38Å; I245-K248 PolarHBondContact O-N 3.48Å; I245-K248 VanDerWaalsContact O-N 3.08Å; I245-L249 HydrophobicContact CD1-CD1 4.24Å; I245-L249 HydrophobicContact CD1-CG 4.4Å; I245-L249 HydrophobicContact CG1-CD1 4.14Å; I245-L249 HydrophobicContact CG1-CD2 4.48Å; I245-L249 HydrophobicContact CG1-CG 3.99Å; I245-L249 HydrophobicContact CG2-CD1 4.08Å; I245-L249 PolarHBondContact O-N 3.36Å; I245-I373 HydrophobicContact CG2-CG2 4.31Å; I245-L377 HydrophobicContact CB-CD1 4.33Å; I245-L377 HydrophobicContact CD1-CD1 4.31Å; I245-L377 HydrophobicContact CG2-CB 4.15Å; I245-L377 HydrophobicContact CG2-CD1 3.98Å; I245-N380 HydrophobicContact CD1-CB 3.97Å
246R98.6Very high97.2Very high66 Ų6662.8 Ų62.825%0.24931%0.306CS..Hα-helixtrans-54.6-47.5-172.7179.6-178.6-49.9960.7114.2A242 K248 L249 H250 E369 I373A242-R246 WeakPolarHBondContact O-CB 3.29Å; A242-R246 PolarHBondContact O-N 3.16Å; A242-R246 PolarHBondContact O-NH1 2.8Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 3.47Å; R246-L249 PolarHBondContact O-N 3.24Å; R246-H250 PolarHBondContact O-CD2 3Å; R246-H250 VanDerWaalsContact O-CD2 3.27Å; R246-H250 PolarHBondContact O-N 2.86Å; R246-E369 IonicContact CZ-OE1 3.16Å; R246-E369 IonicContact CZ-OE2 2.7Å; R246-E369 IonicContact NE-OE1 3Å; R246-E369 IonicContact NE-OE2 3.36Å; R246-E369 PolarHBondContact NE-OE2 3.04Å; R246-E369 IonicContact NH2-OE1 2.76Å; R246-E369 PolarHBondContact NH2-OE1 2.7Å; R246-E369 IonicContact NH2-OE2 3.15Å; R246-E369 PolarHBondContact NH2-OE2 3.34Å; R246-I373 HydrophobicContact CB-CD1 4.37Å; R246-I373 HydrophobicContact CB-CG2 3.9Å; R246-I373 HydrophobicContact CG-CD1 3.98Å; R246-I373 HydrophobicContact CG-CG1 4.18Å; R246-I373 HydrophobicContact CG-CG2 4.28Å
247P98.2Very high97.2Very high80 Ų8058.3 Ų58.352%0.51928%0.281SS..Hα-helixtrans-62.5-40.4178-21.734.2000112.3R243 H250 Q251R243-P247 WeakPolarHBondContact O-CD 3.34Å; P247-H250 PolarHBondContact O-N 2.75Å; P247-Q251 VanDerWaalsContact O-CB 3.27Å; P247-Q251 WeakPolarHBondContact O-CB 3.33Å; P247-Q251 PolarHBondContact O-N 3.4Å
248K98.2Very high97.1Very high55 Ų5556.4 Ų56.424%0.23928%0.276CS..Hα-helixtrans-62.6-45.5178.9-58.4179.2179.8178.30111S235 H237 E239 I245 R246 K252S235-K248 PolarHBondContact OG-NZ 3.48Å; H237-K248 PolarHBondContact CE1-NZ 2.57Å; H237-K248 VanDerWaalsContact CE1-NZ 3.32Å; E239-K248 WeakPolarHBondContact OE1-CD 3.34Å; E239-K248 WeakPolarHBondContact OE1-CE 3.23Å; E239-K248 IonicContact OE1-NZ 3.65Å; E239-K248 PolarHBondContact OE1-NZ 2.86Å; I245-K248 WeakPolarHBondContact O-CB 3.38Å; I245-K248 PolarHBondContact O-N 3.48Å; I245-K248 VanDerWaalsContact O-N 3.08Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 3.47Å; K248-K252 WeakPolarHBondContact O-CB 3.41Å; K248-K252 WeakPolarHBondContact O-CG 3.38Å; K248-K252 PolarHBondContact O-N 3.33Å
249L98.6Very high97.1Very high0 Ų055.6 Ų55.60%027%0.271CS..Hα-helixtrans-62-50.9177.3-71.4-178.9000111.9V229 A234 I245 R246 Q251 K252 A253 F372 I373 E376V229-L249 HydrophobicContact CB-CD2 3.9Å; V229-L249 HydrophobicContact CG1-CD2 4.42Å; V229-L249 HydrophobicContact CG2-CD2 4.11Å; A234-L249 HydrophobicContact CB-CD2 3.69Å; I245-L249 HydrophobicContact CD1-CD1 4.24Å; I245-L249 HydrophobicContact CD1-CG 4.4Å; I245-L249 HydrophobicContact CG1-CD1 4.14Å; I245-L249 HydrophobicContact CG1-CD2 4.48Å; I245-L249 HydrophobicContact CG1-CG 3.99Å; I245-L249 HydrophobicContact CG2-CD1 4.08Å; I245-L249 PolarHBondContact O-N 3.36Å; R246-L249 PolarHBondContact O-N 3.24Å; L249-Q251 PolarHBondContact O-N 2.93Å; L249-K252 PolarHBondContact O-N 3.41Å; L249-A253 WeakPolarHBondContact O-CB 3.48Å; L249-A253 PolarHBondContact O-N 3.46Å; L249-F372 HydrophobicContact CB-CE1 4.04Å; L249-F372 HydrophobicContact CB-CE2 4.21Å; L249-F372 HydrophobicContact CB-CZ 3.61Å; L249-F372 HydrophobicContact CD1-CE2 4.41Å; L249-F372 HydrophobicContact CD2-CE2 4.34Å; L249-F372 HydrophobicContact CD2-CZ 4.47Å; L249-F372 HydrophobicContact CG-CZ 4.4Å; L249-I373 HydrophobicContact CB-CD1 4.1Å; L249-I373 HydrophobicContact CD1-CD1 3.86Å; L249-E376 HydrophobicContact CD1-CB 4.03Å; L249-E376 HydrophobicContact CD2-CB 4.4Å; L249-E376 VanDerWaalsContact CD2-OE2 3.31Å; L249-E376 WeakPolarHBondContact CD2-OE2 3.29Å
250H98.2Very high97.1Very high80 Ų8055.4 Ų55.437%0.3727%0.27SS..Hα-helixtrans-62.3-42.6179.2-76.1-56.4000112.7R246 P247 K252 N254R246-H250 PolarHBondContact O-CD2 3Å; R246-H250 VanDerWaalsContact O-CD2 3.27Å; R246-H250 PolarHBondContact O-N 2.86Å; P247-H250 PolarHBondContact O-N 2.75Å; H250-K252 PolarHBondContact O-N 2.92Å; H250-N254 PolarHBondContact O-OD1 3.38Å
251Q97.1Very high97.2Very high135 Ų13552.3 Ų52.363%0.63126%0.258SS*.Hα-helixtrans-59.1-47.7177.8-175.9-173.520.400111.5P247 L249P247-Q251 VanDerWaalsContact O-CB 3.27Å; P247-Q251 WeakPolarHBondContact O-CB 3.33Å; P247-Q251 PolarHBondContact O-N 3.4Å; L249-Q251 PolarHBondContact O-N 2.93Å
252K97.8Very high97.2Very high58 Ų5852.5 Ų52.525%0.25226%0.258SS..Hα-helixtrans-78.4-30.8-175.4-67174-178.4175.10112.8V229 H233 A234 K248 L249 H250 N254 N255 L256V229-K252 HydrophobicContact CG1-CB 3.8Å; V229-K252 HydrophobicContact CG1-CD 4.17Å; V229-K252 HydrophobicContact CG2-CB 4.16Å; H233-K252 WeakPolarHBondContact O-CD 3.41Å; H233-K252 WeakPolarHBondContact O-CE 3.37Å; H233-K252 PolarHBondContact O-NZ 3.31Å; A234-K252 PolarHBondContact O-NZ 2.83Å; K248-K252 WeakPolarHBondContact O-CB 3.41Å; K248-K252 WeakPolarHBondContact O-CG 3.38Å; K248-K252 PolarHBondContact O-N 3.33Å; L249-K252 PolarHBondContact O-N 3.41Å; H250-K252 PolarHBondContact O-N 2.92Å; K252-N254 PolarHBondContact O-N 3.48Å; K252-N255 PolarHBondContact O-N 3.02Å; K252-L256 WeakPolarHBondContact O-CG 3.49Å
253A97.7Very high97.2Very high7 Ų752.6 Ų52.66%0.05826%0.259CS..Hα-helixtrans-64-25.3179.600000113.8V228 V229 L249 N255 L256 M257 F372V228-A253 HydrophobicContact CG1-CB 4.26Å; V229-A253 HydrophobicContact CG2-CB 4Å; L249-A253 WeakPolarHBondContact O-CB 3.48Å; L249-A253 PolarHBondContact O-N 3.46Å; A253-N255 PolarHBondContact O-N 3.08Å; A253-L256 PolarHBondContact O-N 2.83Å; A253-M257 HydrophobicContact CB-CE 4.43Å; A253-M257 WeakPolarHBondContact O-CB 3.32Å; A253-M257 PolarHBondContact O-N 3.03Å; A253-F372 HydrophobicContact CB-CE1 4.11Å; A253-F372 HydrophobicContact CB-CZ 3.67Å
254N91.2Very high97.2Very high134 Ų13446.5 Ų46.572%0.71724%0.238SC*.THydrogen-bonded Turntrans-52.3-32.9179.3-72-17.4000113.2H250 K252H250-N254 PolarHBondContact O-OD1 3.38Å; K252-N254 PolarHBondContact O-N 3.48Å
255N88.7Confident97.2Very high136 Ų13652 Ų5273%0.72726%0.255SS*.THydrogen-bonded Turntrans-103.7-2.7179.8-63-38.7000113.9K252 A253K252-N255 PolarHBondContact O-N 3.02Å; A253-N255 PolarHBondContact O-N 3.08Å
256L98Very high97.1Very high10 Ų1052 Ų525%0.05226%0.255CS..THydrogen-bonded Turntrans-119.3-26.5-170.3-64.7177.4000113.5A34 R37 V229 K252 A253 T258 Q347A34-L256 HydrophobicContact CB-CD2 3.53Å; R37-L256 PolarHBondContact NH2-O 3.47Å; V229-L256 HydrophobicContact CB-CD1 4.34Å; V229-L256 HydrophobicContact CG1-CD1 4.02Å; V229-L256 HydrophobicContact CG2-CD1 4.23Å; K252-L256 WeakPolarHBondContact O-CG 3.49Å; A253-L256 PolarHBondContact O-N 2.83Å; L256-T258 PolarHBondContact O-N 3.44Å; L256-Q347 PolarHBondContact O-NE2 3.49Å
257M96.3Very high96.9Very high36 Ų3652.2 Ų52.218%0.17727%0.265CS..  trans-82.262.2174.7-166.4178.9-68.500110.2V228 A253 Q347 I350 M351 K354 F372V228-M257 HydrophobicContact CB-CE 4.47Å; V228-M257 HydrophobicContact CG1-CB 3.85Å; V228-M257 HydrophobicContact CG1-CE 3.69Å; V228-M257 HydrophobicContact CG1-CG 4.23Å; V228-M257 HydrophobicContact CG2-CE 4.15Å; A253-M257 HydrophobicContact CB-CE 4.43Å; A253-M257 WeakPolarHBondContact O-CB 3.32Å; A253-M257 PolarHBondContact O-N 3.03Å; M257-Q347 HydrophobicContact CG-CG 4.43Å; M257-I350 HydrophobicContact CE-CG2 3.74Å; M257-I350 HydrophobicContact SD-CG2 3.81Å; M257-M351 HydrophobicContact CG-CG 4.04Å; M257-K354 HydrophobicContact SD-CD 4.14Å; M257-K354 PolarHBondContact SD-NZ 3.19Å; M257-F372 HydrophobicContact CE-CD1 4.46Å; M257-F372 HydrophobicContact CE-CE1 4.4Å
258T96.7Very high96.5Very high50 Ų5052.4 Ų52.431%0.30726%0.256SS..PPolyproline II helixtrans-94.8169.417766.10000110.7L256 Q347L256-T258 PolarHBondContact O-N 3.44Å; T258-Q347 PolarHBondContact O-NE2 3.06Å
259E97.6Very high95.7Very high26 Ų2651.5 Ų51.512%0.12126%0.256CS..PPolyproline II helixtrans-66.1158.2163.2-165.446.4-80.500110.9K20 V24 F31 R348 M351K20-E259 HydrophobicContact CB-CG 4.24Å; K20-E259 WeakPolarHBondContact O-CG 3.23Å; V24-E259 HydrophobicContact CB-CB 4.47Å; V24-E259 HydrophobicContact CG1-CB 3.67Å; V24-E259 HydrophobicContact CG1-CG 3.98Å; V24-E259 HydrophobicContact CG2-CB 4.07Å; V24-E259 HydrophobicContact CG2-CG 4.01Å; F31-E259 WeakPolarHBondContact CZ-O 3.49Å; E259-R348 IonicContact OE1-CZ 3.95Å; E259-R348 VanDerWaalsContact OE1-CZ 3.3Å; E259-R348 IonicContact OE1-NH1 3.9Å; E259-R348 PolarHBondContact OE1-NH1 3.07Å; E259-R348 IonicContact OE1-NH2 3.8Å; E259-R348 PolarHBondContact OE1-NH2 3.08Å; E259-R348 IonicContact OE2-CZ 3.15Å; E259-R348 IonicContact OE2-NH1 3.89Å; E259-R348 PolarHBondContact OE2-NH1 3.16Å; E259-R348 IonicContact OE2-NH2 3.82Å; E259-M351 HydrophobicContact CB-CE 4.19Å
260F98.6Very high94.5Very high0 Ų055.6 Ų55.60%028%0.275CS..PPolyproline II helixtrans-92.6133.5176.4-63.6-94.8000110R21 D83 W85 L88 A345 Q347R21-F260 VanDerWaalsContact CA-O 3.25Å; R21-F260 WeakPolarHBondContact CA-O 3.16Å; R21-F260 WeakPolarHBondContact CB-O 3.23Å; R21-F260 VanDerWaalsContact CG-O 3.32Å; R21-F260 WeakPolarHBondContact CG-O 3.43Å; D83-F260 VanDerWaalsContact CA-CD1 3.49Å; D83-F260 HydrophobicContact CB-CD1 4.06Å; D83-F260 HydrophobicContact CB-CD2 3.92Å; D83-F260 HydrophobicContact CB-CE1 4.01Å; D83-F260 HydrophobicContact CB-CE2 3.92Å; D83-F260 HydrophobicContact CB-CG 3.98Å; D83-F260 HydrophobicContact CB-CZ 3.96Å; D83-F260 WeakPolarHBondContact O-CE1 3.32Å; D83-F260 WeakPolarHBondContact OD1-CB 3.48Å; D83-F260 WeakPolarHBondContact OD1-CD2 3.33Å; D83-F260 WeakPolarHBondContact OD1-CG 3.36Å; W85-F260 AromaticContact CD1-CE1 3.82Å; W85-F260 AromaticContact CD2-CD1 3.91Å; W85-F260 HydrophobicContact CD2-CD1 3.91Å; W85-F260 AromaticContact CD2-CE1 3.71Å; W85-F260 HydrophobicContact CD2-CE1 3.71Å; W85-F260 AromaticContact CE2-CD1 3.51Å; W85-F260 AromaticContact CE2-CE1 3.11Å; W85-F260 AromaticContact CE2-CZ 3.9Å; W85-F260 HydrophobicContact CE3-CD1 4.13Å; W85-F260 HydrophobicContact CE3-CE1 4.4Å; W85-F260 HydrophobicContact CG-CE1 4.12Å; W85-F260 AromaticContact CH2-CD1 3.59Å; W85-F260 HydrophobicContact CH2-CD1 3.59Å; W85-F260 HydrophobicContact CH2-CE1 4.07Å; W85-F260 HydrophobicContact CH2-CG 4.14Å; W85-F260 AromaticContact CZ2-CD1 3.34Å; W85-F260 HydrophobicContact CZ2-CD1 3.34Å; W85-F260 AromaticContact CZ2-CE1 3.33Å; W85-F260 HydrophobicContact CZ2-CE1 3.33Å; W85-F260 HydrophobicContact CZ2-CG 4.04Å; W85-F260 AromaticContact CZ2-CZ 3.95Å; W85-F260 HydrophobicContact CZ2-CZ 3.95Å; W85-F260 AromaticContact CZ3-CD1 3.99Å; W85-F260 HydrophobicContact CZ3-CD1 3.99Å; W85-F260 AromaticContact NE1-CE1 3.21Å; W85-F260 AromaticContact NE1-CZ 3.71Å; L88-F260 HydrophobicContact CD1-CD1 4.13Å; F260-A345 HydrophobicContact CE2-CB 4.49Å; F260-A345 HydrophobicContact CZ-CB 4.04Å; F260-Q347 HydrophobicContact CE2-CB 4.09Å; F260-Q347 HydrophobicContact CE2-CG 3.79Å; F260-Q347 HydrophobicContact CZ-CB 3.84Å; F260-Q347 HydrophobicContact CZ-CG 3.83Å
261P98.6Very high93.2Very high0 Ų060.2 Ų60.20%030%0.297CS..PPolyproline II helixtrans-67.8157.316333.4-36.7000109.9A25 V28 F31 L88A25-P261 HydrophobicContact CB-CB 4.09Å; V28-P261 HydrophobicContact CB-CG 4.24Å; V28-P261 HydrophobicContact CG2-CG 4.2Å; F31-P261 HydrophobicContact CB-CB 3.85Å; F31-P261 HydrophobicContact CB-CG 3.72Å; F31-P261 HydrophobicContact CD1-CG 3.82Å; F31-P261 HydrophobicContact CD2-CB 4.05Å; F31-P261 HydrophobicContact CD2-CG 3.99Å; F31-P261 HydrophobicContact CE1-CG 4.45Å; F31-P261 HydrophobicContact CG-CB 3.96Å; F31-P261 HydrophobicContact CG-CG 3.57Å; L88-P261 HydrophobicContact CD1-CG 4.07Å; L88-P261 HydrophobicContact CD2-CG 3.99Å
262P98.6Very high92Very high13 Ų1358.9 Ų58.98%0.08430%0.302CS..PPolyproline II helixtrans-73.2145.4175.931.9-34.5000111.1R21 L22 A25 N26 I264R21-P262 HydrophobicContact CB-CB 4.26Å; L22-P262 HydrophobicContact CD2-CG 4.04Å; A25-P262 WeakPolarHBondContact O-CD 3.37Å; N26-P262 WeakPolarHBondContact O-CG 3.44Å; P262-I264 HydrophobicContact CG-CG2 4.39Å
263L98.6Very high90.9Very high5 Ų557.9 Ų57.93%0.02630%0.302CS..PPolyproline II helixtrans-72.6130.3154.1-83.6172.3000108.2V81 Q82 F87 L88 Q91 L136V81-L263 HydrophobicContact CB-CD1 4.47Å; V81-L263 HydrophobicContact CG1-CB 4.29Å; V81-L263 HydrophobicContact CG1-CD1 3.52Å; V81-L263 WeakPolarHBondContact O-CD1 3.31Å; Q82-L263 PolarHBondContact NE2-O 2.83Å; F87-L263 HydrophobicContact CB-CD1 3.9Å; F87-L263 HydrophobicContact CD1-CD1 3.5Å; F87-L263 VanDerWaalsContact CD1-CD1 3.5Å; F87-L263 HydrophobicContact CD2-CD1 3.88Å; F87-L263 HydrophobicContact CD2-CD2 4.26Å; F87-L263 HydrophobicContact CE1-CD1 3.9Å; F87-L263 HydrophobicContact CE2-CD1 4.25Å; F87-L263 HydrophobicContact CG-CD1 3.46Å; F87-L263 VanDerWaalsContact CG-CD1 3.46Å; F87-L263 HydrophobicContact CG-CD2 4.49Å; F87-L263 HydrophobicContact CZ-CD1 4.23Å; L88-L263 HydrophobicContact CD2-CD2 4Å; L88-L263 HydrophobicContact CD2-CG 3.86Å; L88-L263 HydrophobicContact CG-CG 4.43Å; Q91-L263 HydrophobicContact CB-CD2 3.52Å; Q91-L263 VanDerWaalsContact CD-CD2 3.44Å; Q91-L263 HydrophobicContact CG-CD2 4.06Å; Q91-L263 VanDerWaalsContact OE1-CD2 3.29Å; L136-L263 HydrophobicContact CD1-CB 4.16Å
264I98.1Very high90.2Very high45 Ų4559 Ų5923%0.23131%0.308CS..PPolyproline II helixtrans-103.8168.9-178.760.2153.4000112N26 T27 Q91 L95 P262 H266N26-I264 VanDerWaalsContact O-CG2 3.27Å; N26-I264 WeakPolarHBondContact O-CG2 3.5Å; T27-I264 HydrophobicContact CG2-CD1 3.61Å; T27-I264 HydrophobicContact CG2-CG1 4.24Å; T27-I264 HydrophobicContact CG2-CG2 4.04Å; Q91-I264 PolarHBondContact NE2-O 3.17Å; L95-I264 HydrophobicContact CD1-CD1 4.39Å; P262-I264 HydrophobicContact CG-CG2 4.39Å; I264-H266 PolarHBondContact O-N 3.24Å
265R97.6Very high89.9Confident156 Ų15656.9 Ų56.959%0.58930%0.303SS*.PPolyproline II helixtrans-58.5122.6168-175.4179.4-177.1-84.4-2.2109.2L136 C137 P267L136-R265 CarbonylContact O-C 3.37Å; L136-R265 VanDerWaalsContact O-CA 3.31Å; L136-R265 WeakPolarHBondContact O-CA 3.19Å; C137-R265 HydrophobicContact CB-CG 4.09Å; C137-R265 PolarHBondContact SG-NE 3.42Å; C137-R265 PolarHBondContact SG-NH2 3.23Å; R265-P267 WeakPolarHBondContact O-CD 3.33Å
266H96.5Very high90Very high1 Ų155 Ų551%0.00530%0.298CS..PPolyproline II helixtrans-73.8123.8-177.9-162.559.9000110.3A94 V99 L101 L136 I138 I264 Y268A94-H266 VanDerWaalsContact CB-CE1 3.49Å; A94-H266 WeakPolarHBondContact CB-CE1 3.43Å; V99-H266 PolarHBondContact O-CE1 2.97Å; V99-H266 PolarHBondContact O-NE2 3.49Å; L101-H266 PolarHBondContact N-NE2 2.82Å; L136-H266 PolarHBondContact O-N 3.1Å; I138-H266 HydrophobicContact CD1-CB 4.4Å; I138-H266 HydrophobicContact CG1-CB 3.74Å; I264-H266 PolarHBondContact O-N 3.24Å; H266-Y268 VanDerWaalsContact C-N 3.34Å; H266-Y268 PolarHBondContact CD2-O 3Å; H266-Y268 AromaticContact NE2-CD2 3.96Å; H266-Y268 PolarHBondContact O-N 3.28Å
267P93.8Very high89.9Confident70 Ų7055.9 Ų55.946%0.45530%0.302SS..SBendtrans-74.7-23.4-173.426.3-32.3000113.4L95 R265 C269L95-P267 HydrophobicContact CD2-CG 3.72Å; R265-P267 WeakPolarHBondContact O-CD 3.33Å; P267-C269 PolarHBondContact O-N 3.04Å
268Y89.3Confident89.9Confident83 Ų8358.6 Ų58.633%0.32532%0.318SS..SBendtrans-101.671.8-175.7-50.4-69.2000110.8K98 P100 H266K98-Y268 HydrophobicContact CB-CD1 4.43Å; K98-Y268 HydrophobicContact CB-CD2 4.38Å; K98-Y268 HydrophobicContact CB-CE1 3.84Å; K98-Y268 HydrophobicContact CB-CE2 3.8Å; K98-Y268 VanDerWaalsContact CB-CZ 3.49Å; K98-Y268 HydrophobicContact CG-CE1 4.45Å; K98-Y268 HydrophobicContact CG-CE2 4.22Å; K98-Y268 WeakPolarHBondContact CG-OH 3.34Å; P100-Y268 VanDerWaalsContact CA-O 3.23Å; P100-Y268 WeakPolarHBondContact CA-O 3.32Å; P100-Y268 WeakPolarHBondContact CB-O 3.49Å; H266-Y268 VanDerWaalsContact C-N 3.34Å; H266-Y268 PolarHBondContact CD2-O 3Å; H266-Y268 AromaticContact NE2-CD2 3.96Å; H266-Y268 PolarHBondContact O-N 3.28Å
269C81.9Confident89.9Confident37 Ų3757.3 Ų57.325%0.2531%0.307CS..  trans-125.9143.5-178.1-174.90000112.1C137 P267C137-C269 HydrophobicContact CB-CB 3.74Å; C137-C269 VanDerWaalsContact O-CB 3.28Å; C137-C269 WeakPolarHBondContact O-CB 3.36Å; C137-C269 PolarHBondContact O-SG 2.89Å; P267-C269 PolarHBondContact O-N 3.04Å
270H73.2Confident89.8Confident86 Ų8662.1 Ų62.140%0.39833%0.334SS..  trans-99133.2167.7-64.3-63.7000110.2K68 S272 S273K68-H270 PolarHBondContact NZ-CD2 3.19Å; K68-H270 PolarHBondContact NZ-CE1 2.86Å; K68-H270 PolarHBondContact NZ-NE2 3.12Å; H270-S272 VanDerWaalsContact C-N 3.26Å; H270-S272 PolarHBondContact O-N 3.44Å; H270-S273 PolarHBondContact O-N 3.49Å; H270-S273 PolarHBondContact O-OG 2.99Å
271Q71.6Confident89.6Confident177 Ų17766.5 Ų66.583%0.82735%0.351SS*.G310 helixtrans-62.9-32.9-177.7-72.5-177.1-12.400112.9S273 L274Q271-S273 PolarHBondContact O-N 2.91Å; Q271-S273 VanDerWaalsContact O-N 3.15Å; Q271-L274 PolarHBondContact O-N 2.91Å; Q271-L274 VanDerWaalsContact O-N 3.1Å
272S71.2Confident89.4Confident106 Ų10668.2 Ų68.274%0.74136%0.358SS*.G310 helixtrans-63.8-18.1179.959.50000114.1H270H270-S272 VanDerWaalsContact C-N 3.26Å; H270-S272 PolarHBondContact O-N 3.44Å
273S74.9Confident89.1Confident37 Ų3770.6 Ų70.626%0.25937%0.369SS..G310 helixtrans-91.22.9177500000114.2P139 H270 Q271P139-S273 WeakPolarHBondContact CB-O 3.32Å; P139-S273 VanDerWaalsContact CG-OG 3.29Å; P139-S273 WeakPolarHBondContact CG-OG 3.08Å; H270-S273 PolarHBondContact O-N 3.49Å; H270-S273 PolarHBondContact O-OG 2.99Å; Q271-S273 PolarHBondContact O-N 2.91Å; Q271-S273 VanDerWaalsContact O-N 3.15Å
274L82.7Confident88.7Confident32 Ų3274.5 Ų74.517%0.16840%0.397CS..  trans-103.920.9-176.7-62.3177.8000113.4R134 C137 P139 Q271R134-L274 WeakPolarHBondContact CD-O 3.48Å; R134-L274 HydrophobicContact CG-CB 4.39Å; C137-L274 HydrophobicContact CB-CD1 4.37Å; P139-L274 HydrophobicContact CG-CD2 4.1Å; Q271-L274 PolarHBondContact O-N 2.91Å; Q271-L274 VanDerWaalsContact O-N 3.1Å
275S86Confident88.2Confident89 Ų8977 Ų7762%0.62241%0.406SS*.PPolyproline II helixtrans-61.8131.7178.2-63.60000111
276P91.2Very high87.8Confident96 Ų9671.2 Ų71.262%0.62339%0.385SS*.PPolyproline II helixtrans-58.3144.7176.3-24.233.8000112.2
277I94.9Very high87.3Confident28 Ų2874.7 Ų74.714%0.14441%0.41CS..PPolyproline II helixtrans-78.1134.6178.9-62.3-179.1000110.1E130 F140 I142 W279 W282E130-I277 HydrophobicContact CB-CD1 4.46Å; E130-I277 HydrophobicContact CG-CB 4.43Å; E130-I277 HydrophobicContact CG-CD1 3.83Å; E130-I277 HydrophobicContact CG-CG1 3.99Å; F140-I277 HydrophobicContact CD1-CD1 3.68Å; F140-I277 HydrophobicContact CE1-CD1 4.46Å; F140-I277 WeakPolarHBondContact O-CD1 3.2Å; I142-I277 HydrophobicContact CG1-CD1 3.84Å; I142-I277 HydrophobicContact CG1-CG2 4.3Å; I277-W279 VanDerWaalsContact C-N 3.28Å; I277-W279 HydrophobicContact CD1-CZ2 4.37Å; I277-W279 HydrophobicContact CG2-CD2 4.17Å; I277-W279 HydrophobicContact CG2-CG 4.45Å; I277-W279 HydrophobicContact CG2-CZ2 4.43Å; I277-W279 VanDerWaalsContact O-CD1 3.27Å; I277-W279 PolarHBondContact O-N 3.34Å; I277-W282 VanDerWaalsContact CG2-CD1 3.48Å
278D96.2Very high87Confident94 Ų9472.1 Ų72.150%0.50340%0.395SS..  trans-73.285.6168.7-176.1-0.2000110.1N280 Y281 W282D278-N280 PolarHBondContact O-N 3.15Å; D278-N280 WeakPolarHBondContact OD1-CB 3.38Å; D278-N280 PolarHBondContact OD1-N 3.45Å; D278-Y281 WeakPolarHBondContact O-CB 3.34Å; D278-Y281 PolarHBondContact O-N 3.45Å; D278-Y281 PolarHBondContact OD1-N 3.32Å; D278-Y281 WeakPolarHBondContact OD2-CB 3.04Å; D278-W282 PolarHBondContact O-N 3Å
279W96.1Very high87.1Confident22 Ų2269.7 Ų69.78%0.08339%0.388CS..Hα-helixtrans-66.1-26.3177-70.9105000113.1V123 L126 K127 E130 I142 I277 Y281 W282 I283V123-W279 HydrophobicContact CG1-CE3 3.61Å; V123-W279 HydrophobicContact CG1-CZ3 3.92Å; L126-W279 HydrophobicContact CB-CH2 3.47Å; L126-W279 VanDerWaalsContact CB-CH2 3.47Å; L126-W279 HydrophobicContact CB-CZ2 4.23Å; L126-W279 HydrophobicContact CB-CZ3 4.09Å; K127-W279 HydrophobicContact CD-CB 4.49Å; K127-W279 HydrophobicContact CD-CD2 4.43Å; K127-W279 HydrophobicContact CD-CG 4.18Å; K127-W279 VanDerWaalsContact CE-CB 3.45Å; K127-W279 HydrophobicContact CG-CB 4.4Å; K127-W279 HydrophobicContact CG-CD2 3.5Å; K127-W279 VanDerWaalsContact CG-CE2 3.49Å; K127-W279 HydrophobicContact CG-CE3 4.15Å; K127-W279 HydrophobicContact CG-CG 3.61Å; K127-W279 HydrophobicContact CG-CZ2 4.12Å; E130-W279 HydrophobicContact CB-CZ2 3.89Å; E130-W279 HydrophobicContact CG-CZ2 4.49Å; I142-W279 HydrophobicContact CD1-CH2 4Å; I142-W279 HydrophobicContact CD1-CZ3 4.44Å; I142-W279 HydrophobicContact CG1-CH2 4.04Å; I142-W279 HydrophobicContact CG1-CZ3 4.32Å; I277-W279 VanDerWaalsContact C-N 3.28Å; I277-W279 HydrophobicContact CD1-CZ2 4.37Å; I277-W279 HydrophobicContact CG2-CD2 4.17Å; I277-W279 HydrophobicContact CG2-CG 4.45Å; I277-W279 HydrophobicContact CG2-CZ2 4.43Å; I277-W279 VanDerWaalsContact O-CD1 3.27Å; I277-W279 PolarHBondContact O-N 3.34Å; W279-Y281 VanDerWaalsContact C-N 3.32Å; W279-W282 HydrophobicContact CE3-CB 4.48Å; W279-W282 PolarHBondContact O-N 3.17Å; W279-I283 VanDerWaalsContact O-CB 3.31Å; W279-I283 WeakPolarHBondContact O-CB 3.43Å; W279-I283 WeakPolarHBondContact O-CD1 3.34Å; W279-I283 WeakPolarHBondContact O-CG1 3.38Å; W279-I283 PolarHBondContact O-N 3.45Å
280N95.8Very high87.7Confident127 Ų12772.7 Ų72.768%0.67940%0.401SS*.Hα-helixtrans-65.9-40.7176.8-69.1-32.3000110.3D278 I283 S284D278-N280 PolarHBondContact O-N 3.15Å; D278-N280 WeakPolarHBondContact OD1-CB 3.38Å; D278-N280 PolarHBondContact OD1-N 3.45Å; N280-I283 PolarHBondContact O-N 3.34Å; N280-S284 WeakPolarHBondContact O-CB 3.37Å; N280-S284 PolarHBondContact O-N 3.13Å
281Y95.4Very high88.8Confident92 Ų9272.5 Ų72.536%0.36141%0.41SS..Hα-helixtrans-56.4-54.9170.9172.9-94.4000111.3D278 W279 I283 S284 K285D278-Y281 WeakPolarHBondContact O-CB 3.34Å; D278-Y281 PolarHBondContact O-N 3.45Å; D278-Y281 PolarHBondContact OD1-N 3.32Å; D278-Y281 WeakPolarHBondContact OD2-CB 3.04Å; W279-Y281 VanDerWaalsContact C-N 3.32Å; Y281-I283 VanDerWaalsContact C-N 3.31Å; Y281-I283 PolarHBondContact O-N 3.42Å; Y281-S284 WeakPolarHBondContact O-CB 3.45Å; Y281-S284 PolarHBondContact O-N 3.33Å; Y281-S284 VanDerWaalsContact O-N 3.11Å; Y281-S284 PolarHBondContact O-OG 3.4Å; Y281-K285 HydrophobicContact CE1-CG 4.18Å; Y281-K285 WeakPolarHBondContact O-CG 3.22Å; Y281-K285 PolarHBondContact O-N 2.88Å; Y281-K285 VanDerWaalsContact OH-CE 3.31Å; Y281-K285 WeakPolarHBondContact OH-CE 3.29Å
282W93.9Very high90Very high37 Ų3764.5 Ų64.514%0.1437%0.373CS..Hα-helixtrans-64.1-35.2-178.6-67.4113.1000113L107 Y119 I142 I277 D278 W279 S284 K285L107-W282 HydrophobicContact CD1-CB 4.32Å; L107-W282 HydrophobicContact CD1-CD2 3.93Å; L107-W282 HydrophobicContact CD1-CE3 3.42Å; L107-W282 VanDerWaalsContact CD1-CE3 3.42Å; L107-W282 HydrophobicContact CD1-CG 4.33Å; L107-W282 HydrophobicContact CD1-CZ3 4.03Å; Y119-W282 PolarHBondContact OH-O 2.93Å; I142-W282 HydrophobicContact CB-CD2 4.28Å; I142-W282 HydrophobicContact CB-CZ2 3.8Å; I142-W282 HydrophobicContact CG2-CD2 3.52Å; I142-W282 HydrophobicContact CG2-CE3 3.87Å; I142-W282 HydrophobicContact CG2-CG 4.11Å; I142-W282 HydrophobicContact CG2-CH2 3.82Å; I142-W282 HydrophobicContact CG2-CZ2 3.48Å; I142-W282 VanDerWaalsContact CG2-CZ2 3.48Å; I142-W282 HydrophobicContact CG2-CZ3 4.01Å; I142-W282 WeakPolarHBondContact O-CZ2 3.08Å; I277-W282 VanDerWaalsContact CG2-CD1 3.48Å; D278-W282 PolarHBondContact O-N 3Å; W279-W282 HydrophobicContact CE3-CB 4.48Å; W279-W282 PolarHBondContact O-N 3.17Å; W282-S284 VanDerWaalsContact C-N 3.34Å; W282-K285 PolarHBondContact O-N 2.84Å
283I92.8Very high91.2Very high63 Ų6365.2 Ų65.232%0.32336%0.363SS..Hα-helixtrans-62.3-44.1174-70.8165000110.7V123 W279 N280 Y281 K285 F286V123-I283 HydrophobicContact CG1-CD1 4.12Å; V123-I283 HydrophobicContact CG1-CG1 3.81Å; W279-I283 VanDerWaalsContact O-CB 3.31Å; W279-I283 WeakPolarHBondContact O-CB 3.43Å; W279-I283 WeakPolarHBondContact O-CD1 3.34Å; W279-I283 WeakPolarHBondContact O-CG1 3.38Å; W279-I283 PolarHBondContact O-N 3.45Å; N280-I283 PolarHBondContact O-N 3.34Å; Y281-I283 VanDerWaalsContact C-N 3.31Å; Y281-I283 PolarHBondContact O-N 3.42Å; I283-K285 PolarHBondContact O-N 3.31Å; I283-F286 PolarHBondContact O-N 3Å
284S90.5Very high92.3Very high87 Ų8766.2 Ų66.261%0.60837%0.368SS*.Hα-helixtrans-64.8-18.7179.679.10000114.1N280 Y281 W282 F286N280-S284 WeakPolarHBondContact O-CB 3.37Å; N280-S284 PolarHBondContact O-N 3.13Å; Y281-S284 WeakPolarHBondContact O-CB 3.45Å; Y281-S284 PolarHBondContact O-N 3.33Å; Y281-S284 VanDerWaalsContact O-N 3.11Å; Y281-S284 PolarHBondContact O-OG 3.4Å; W282-S284 VanDerWaalsContact C-N 3.34Å; S284-F286 VanDerWaalsContact C-N 3.33Å
285K86.9Confident93Very high98 Ų9866 Ų6643%0.42637%0.368SS..THydrogen-bonded Turntrans-84.1-4.5179.9-67-63-177.4178.30114Y281 W282 I283 S287Y281-K285 HydrophobicContact CE1-CG 4.18Å; Y281-K285 WeakPolarHBondContact O-CG 3.22Å; Y281-K285 PolarHBondContact O-N 2.88Å; Y281-K285 VanDerWaalsContact OH-CE 3.31Å; Y281-K285 WeakPolarHBondContact OH-CE 3.29Å; W282-K285 PolarHBondContact O-N 2.84Å; I283-K285 PolarHBondContact O-N 3.31Å; K285-S287 PolarHBondContact O-N 3.38Å
286F89.5Confident93.4Very high33 Ų3369 Ų6915%0.14538%0.377CS..  trans-62.8128177-175.6-114000111.7A113 T115 L116 Y119 I283 S284 L290A113-F286 HydrophobicContact CB-CE2 4.33Å; T115-F286 WeakPolarHBondContact O-CZ 3.42Å; L116-F286 HydrophobicContact CB-CE1 3.95Å; L116-F286 HydrophobicContact CD1-CD1 4.12Å; L116-F286 HydrophobicContact CD1-CE1 4.39Å; Y119-F286 HydrophobicContact CD1-CB 3.59Å; Y119-F286 AromaticContact CD1-CD2 3.59Å; Y119-F286 HydrophobicContact CD1-CD2 3.59Å; Y119-F286 HydrophobicContact CD1-CE2 4.46Å; Y119-F286 AromaticContact CD1-CG 3.63Å; Y119-F286 HydrophobicContact CD1-CG 3.63Å; Y119-F286 AromaticContact CD2-CD2 3.56Å; Y119-F286 HydrophobicContact CD2-CD2 3.56Å; Y119-F286 HydrophobicContact CD2-CE2 4.06Å; Y119-F286 HydrophobicContact CD2-CG 4.42Å; Y119-F286 HydrophobicContact CE1-CB 3.55Å; Y119-F286 HydrophobicContact CE1-CD2 4.09Å; Y119-F286 HydrophobicContact CE1-CG 4.07Å; Y119-F286 HydrophobicContact CE2-CD2 4.08Å; Y119-F286 HydrophobicContact CG-CB 4.22Å; Y119-F286 AromaticContact CG-CD2 3.28Å; Y119-F286 HydrophobicContact CG-CD2 3.28Å; Y119-F286 AromaticContact CG-CE2 3.8Å; Y119-F286 HydrophobicContact CG-CE2 3.8Å; Y119-F286 AromaticContact CG-CG 3.81Å; Y119-F286 HydrophobicContact CG-CG 3.81Å; I283-F286 PolarHBondContact O-N 3Å; S284-F286 VanDerWaalsContact C-N 3.33Å; F286-L290 HydrophobicContact CD1-CD2 3.72Å; F286-L290 HydrophobicContact CE1-CD2 3.86Å
287S85.2Confident93.7Very high75 Ų7568.4 Ų68.452%0.52436%0.362SS..  trans-12718.6-177.359.60000113.5K285K285-S287 PolarHBondContact O-N 3.38Å
288G87.3Confident93.8Very high15 Ų1567.3 Ų67.316%0.15536%0.358CS..SBendtrans-87.9-166175.200000113.3E114 L290E114-G288 WeakPolarHBondContact O-CA 3.05Å; G288-L290 PolarHBondContact O-N 3.47Å
289D92Very high93.9Very high32 Ų3268.5 Ų68.517%0.17136%0.363CS..BIsolated β-bridgetrans-71.3114.4-177.3178.412.2000111.8E114 T115 L116 S291 H475E114-D289 PolarHBondContact O-N 3.19Å; T115-D289 CarbonylContact C-O 3.46Å; T115-D289 WeakPolarHBondContact CA-O 3.42Å; T115-D289 HydrophobicContact CG2-CB 4.17Å; L116-D289 PolarHBondContact N-O 3.37Å; D289-S291 WeakPolarHBondContact OD1-CB 3.32Å; D289-S291 PolarHBondContact OD1-N 3.29Å; D289-S291 PolarHBondContact OD1-OG 3.2Å; D289-S291 PolarHBondContact OD2-OG 3.11Å; D289-H475 IonicContact OD2-CE1 3.94Å; D289-H475 PolarHBondContact OD2-CE1 2.98Å; D289-H475 IonicContact OD2-NE2 2.89Å; D289-H475 PolarHBondContact OD2-NE2 3.15Å
290L95.2Very high94Very high101 Ų10168.9 Ų68.953%0.52937%0.368SS..SBendtrans-82.4-11179.1-60.3177.6000113.4L116 F286 G288 K293L116-L290 HydrophobicContact CB-CD2 4.36Å; L116-L290 HydrophobicContact CD1-CD2 4.45Å; L116-L290 HydrophobicContact CD2-CD2 4.4Å; F286-L290 HydrophobicContact CD1-CD2 3.72Å; F286-L290 HydrophobicContact CE1-CD2 3.86Å; G288-L290 PolarHBondContact O-N 3.47Å; L290-K293 WeakPolarHBondContact O-CE 3.35Å; L290-K293 PolarHBondContact O-NZ 2.84Å
291S95.3Very high94.2Very high82 Ų8262.9 Ų62.957%0.57334%0.336SS*.SBendtrans-74.5-33-177.775.50000112.2D289 K293D289-S291 WeakPolarHBondContact OD1-CB 3.32Å; D289-S291 PolarHBondContact OD1-N 3.29Å; D289-S291 PolarHBondContact OD1-OG 3.2Å; D289-S291 PolarHBondContact OD2-OG 3.11Å; S291-K293 PolarHBondContact O-N 3.36Å
292V96.2Very high94.3Very high8 Ų859.2 Ų59.25%0.04832%0.324CS..SBendtrans-84.399.2177.2179.40000109.7T115 R117 Y476T115-V292 HydrophobicContact CG2-CB 3.76Å; T115-V292 HydrophobicContact CG2-CG1 4.05Å; T115-V292 HydrophobicContact CG2-CG2 4.02Å; R117-V292 HydrophobicContact CB-CG1 3.99Å; R117-V292 VanDerWaalsContact CZ-CG1 3.44Å; R117-V292 PolarHBondContact N-O 3.39Å; V292-Y476 HydrophobicContact CG1-CD1 4.21Å; V292-Y476 HydrophobicContact CG2-CD1 3.81Å; V292-Y476 HydrophobicContact CG2-CE1 3.56Å
293K97.1Very high94.5Very high122 Ų12260.2 Ų60.253%0.5334%0.336SS..PPolyproline II helixtrans-77.2154.4-172.4-56.7-55.1-176.9-174.40113.5L116 R117 L290 S291L116-K293 HydrophobicContact CD2-CD 4.44Å; R117-K293 WeakPolarHBondContact CB-O 3.33Å; R117-K293 PolarHBondContact NE-O 2.75Å; R117-K293 PolarHBondContact NH2-O 3.41Å; L290-K293 WeakPolarHBondContact O-CE 3.35Å; L290-K293 PolarHBondContact O-NZ 2.84Å; S291-K293 PolarHBondContact O-N 3.36Å
294P97.5Very high94.8Very high58 Ų5857.4 Ų57.438%0.37732%0.323SS..PPolyproline II helixtrans-51.6154.4170.3-26.136.1000113L116 T120L116-P294 HydrophobicContact CG-CG 4.27Å; T120-P294 HydrophobicContact CG2-CB 4.1Å; T120-P294 HydrophobicContact CG2-CG 3.97Å; T120-P294 WeakPolarHBondContact OG1-CG 3.44Å
295V97.2Very high95.2Very high27 Ų2753.3 Ų53.316%0.16429%0.294CS..PPolyproline II helixtrans-95.7157.8176.2-58.70000110.5R117 A298 S439 L478R117-V295 HydrophobicContact CG-CG1 4.26Å; V295-A298 HydrophobicContact CG2-CB 3.82Å; V295-S439 WeakPolarHBondContact CG1-O 3.49Å; V295-L478 HydrophobicContact CG1-CD1 4.22Å; V295-L478 HydrophobicContact CG2-CD1 3.59Å
296D95.2Very high95.7Very high153 Ų15349 Ų4982%0.81828%0.276SS*.SBendtrans-99.2-25.317957.2-2.9000113.5
297W96.8Very high96.1Very high82 Ų8249.8 Ų49.831%0.31128%0.283SS..SBendtrans-80.1-21.4-174.473.1-93.2000114.4N334 P337 W338 S439 K441 L478W297-N334 HydrophobicContact CH2-CB 4.48Å; W297-N334 HydrophobicContact CZ3-CB 4.02Å; W297-P337 HydrophobicContact CH2-CG 3.92Å; W297-P337 HydrophobicContact CZ2-CG 4.39Å; W297-W338 HydrophobicContact CH2-CZ3 4.42Å; W297-W338 AromaticContact CZ3-CH2 3.99Å; W297-W338 HydrophobicContact CZ3-CH2 3.99Å; W297-W338 HydrophobicContact CZ3-CZ3 4.01Å; W297-S439 PolarHBondContact NE1-O 3.4Å; W297-K441 HydrophobicContact CH2-CD 3.98Å; W297-K441 HydrophobicContact CZ2-CB 4.15Å; W297-K441 HydrophobicContact CZ2-CD 3.84Å; W297-L478 HydrophobicContact CZ2-CD1 4.22Å
298A97.9Very high96.8Very high5 Ų547.3 Ų47.34%0.04127%0.265CS..  trans-112.2102.7-17500000110.6F121 V295 P300 W338 L478F121-A298 HydrophobicContact CD2-CB 4.33Å; F121-A298 HydrophobicContact CE2-CB 3.75Å; V295-A298 HydrophobicContact CG2-CB 3.82Å; A298-P300 WeakPolarHBondContact O-CD 3.37Å; A298-W338 HydrophobicContact CB-CH2 3.84Å; A298-W338 HydrophobicContact CB-CZ2 4.1Å; A298-L478 HydrophobicContact CB-CD1 4.22Å
299I98.3Very high97.3Very high120 Ų12046.6 Ų46.662%0.61526%0.257SS*.  trans-77.5119.6174.4-59.8172.7000108.4G304 W338I299-G304 WeakPolarHBondContact O-CA 3.31Å; I299-W338 VanDerWaalsContact O-CE2 3.31Å; I299-W338 WeakPolarHBondContact O-CZ2 3.34Å; I299-W338 PolarHBondContact O-NE1 2.92Å
300P98.6Very high97.6Very high29 Ų2945.2 Ų45.219%0.18825%0.25CS..  trans-66.2169.6-179.4-21.334.6000113.9F121 E124 A298F121-P300 HydrophobicContact CB-CG 4.39Å; F121-P300 HydrophobicContact CD2-CB 4.07Å; F121-P300 HydrophobicContact CD2-CG 3.6Å; F121-P300 HydrophobicContact CE2-CB 4.12Å; F121-P300 HydrophobicContact CE2-CG 3.96Å; F121-P300 HydrophobicContact CG-CB 4.26Å; F121-P300 HydrophobicContact CG-CG 4.03Å; F121-P300 HydrophobicContact CZ-CB 4.4Å; F121-P300 VanDerWaalsContact O-CB 3.25Å; F121-P300 WeakPolarHBondContact O-CB 2.97Å; E124-P300 HydrophobicContact CB-CB 3.86Å; E124-P300 HydrophobicContact CB-CG 3.83Å; A298-P300 WeakPolarHBondContact O-CD 3.37Å
301G98.7Very high97.7Very high1 Ų141.9 Ų41.91%0.0123%0.234CC..Hα-helixtrans89.4169.7173.700000114.3E128 S303 G304 G305 W338E128-G301 WeakPolarHBondContact OE2-CA 3.42Å; G301-S303 VanDerWaalsContact C-N 3.29Å; G301-S303 PolarHBondContact O-N 3.3Å; G301-G304 PolarHBondContact O-N 3.18Å; G301-G305 PolarHBondContact O-N 2.9Å; G301-W338 VanDerWaalsContact O-CD1 3.29Å; G301-W338 PolarHBondContact O-NE1 3.45Å
302T98.7Very high97.9Very high16 Ų1638 Ų3810%0.09821%0.206CC..Hα-helixtrans-61.4-42.1-176.9-52.80000110.4E128 G304 G305 L306 Q343 I344E128-T302 WeakPolarHBondContact OE1-CA 3.38Å; E128-T302 VanDerWaalsContact OE1-CB 3.27Å; E128-T302 WeakPolarHBondContact OE1-CB 3.34Å; E128-T302 PolarHBondContact OE1-N 2.79Å; E128-T302 VanDerWaalsContact OE1-N 3.08Å; E128-T302 PolarHBondContact OE2-N 2.91Å; T302-G304 PolarHBondContact O-N 2.92Å; T302-G305 PolarHBondContact O-N 2.88Å; T302-L306 HydrophobicContact CG2-CD1 4Å; T302-L306 HydrophobicContact CG2-CG 4.26Å; T302-L306 WeakPolarHBondContact O-CB 3.41Å; T302-L306 WeakPolarHBondContact O-CG 3.41Å; T302-L306 PolarHBondContact O-N 3.49Å; T302-Q343 VanDerWaalsContact CA-O 3.29Å; T302-Q343 WeakPolarHBondContact CA-O 3.34Å; T302-Q343 WeakPolarHBondContact CB-O 3.48Å; T302-Q343 WeakPolarHBondContact CG2-O 3.46Å; T302-Q343 PolarHBondContact OG1-O 2.66Å; T302-Q343 VanDerWaalsContact OG1-O 3.09Å; T302-I344 HydrophobicContact CG2-CG2 4.43Å
303S97.8Very high98Very high58 Ų5837.6 Ų37.641%0.40620%0.204SC..Hα-helixtrans-58.5-46.8176.1-176.60000112.4E128 G301 G305 L306 T307E128-S303 PolarHBondContact OE1-N 2.84Å; G301-S303 VanDerWaalsContact C-N 3.29Å; G301-S303 PolarHBondContact O-N 3.3Å; S303-G305 VanDerWaalsContact C-N 3.35Å; S303-G305 PolarHBondContact O-N 3.5Å; S303-L306 PolarHBondContact O-N 3.01Å; S303-T307 VanDerWaalsContact O-CB 3.32Å; S303-T307 WeakPolarHBondContact O-CB 3.44Å; S303-T307 PolarHBondContact O-N 3.47Å; S303-T307 PolarHBondContact O-OG1 2.96Å
304G98.3Very high98Very high4 Ų436.4 Ų36.44%0.04120%0.197CC..Hα-helixtrans-64-38.617700000112.9I299 G301 T302 T308I299-G304 WeakPolarHBondContact O-CA 3.31Å; G301-G304 PolarHBondContact O-N 3.18Å; T302-G304 PolarHBondContact O-N 2.92Å; G304-T308 WeakPolarHBondContact O-CB 3.46Å; G304-T308 PolarHBondContact O-N 2.96Å; G304-T308 PolarHBondContact O-OG1 3.41Å
305G98.8Very high97.9Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-70-43.5177.800000113G301 T302 S303 T308 L309 W338G301-G305 PolarHBondContact O-N 2.9Å; T302-G305 PolarHBondContact O-N 2.88Å; S303-G305 VanDerWaalsContact C-N 3.35Å; S303-G305 PolarHBondContact O-N 3.5Å; G305-T308 PolarHBondContact O-N 2.93Å; G305-L309 WeakPolarHBondContact O-CB 3.44Å; G305-L309 PolarHBondContact O-N 3.28Å; G305-W338 VanDerWaalsContact CA-CG 3.46Å; G305-W338 VanDerWaalsContact N-CD1 3.34Å
306L98.7Very high97.9Very high8 Ų836.7 Ų36.74%0.04219%0.191CC..Hα-helixtrans-65.6-39.3174.8-71.8179.3000111.5W13 I14 I17 T302 S303 T308 L309 H310 I344 R348W13-L306 HydrophobicContact CZ3-CB 4.22Å; W13-L306 HydrophobicContact CZ3-CD2 4.3Å; W13-L306 WeakPolarHBondContact CZ3-O 3.46Å; I14-L306 HydrophobicContact CD1-CB 4.06Å; I14-L306 HydrophobicContact CD1-CD1 4.46Å; I14-L306 HydrophobicContact CG1-CB 4.13Å; I14-L306 HydrophobicContact CG1-CD1 4.18Å; I14-L306 HydrophobicContact CG2-CD1 4.39Å; I17-L306 HydrophobicContact CD1-CD2 4.13Å; T302-L306 HydrophobicContact CG2-CD1 4Å; T302-L306 HydrophobicContact CG2-CG 4.26Å; T302-L306 WeakPolarHBondContact O-CB 3.41Å; T302-L306 WeakPolarHBondContact O-CG 3.41Å; T302-L306 PolarHBondContact O-N 3.49Å; S303-L306 PolarHBondContact O-N 3.01Å; L306-T308 VanDerWaalsContact C-N 3.34Å; L306-T308 PolarHBondContact O-N 3.25Å; L306-L309 HydrophobicContact CD2-CD2 4.39Å; L306-L309 PolarHBondContact O-N 3.46Å; L306-H310 WeakPolarHBondContact O-CB 3.49Å; L306-H310 PolarHBondContact O-N 3.17Å; L306-I344 HydrophobicContact CD2-CG2 4.4Å; L306-I344 HydrophobicContact CG-CG2 4.26Å; L306-R348 HydrophobicContact CD2-CG 4.12Å
307T98.2Very high98.1Very high49 Ų4929.4 Ų29.430%0.30115%0.152SC..Hα-helixtrans-59.7-46172.5-60.10000110.9V10 S303 L309 H310 T311V10-T307 HydrophobicContact CG1-CG2 4.14Å; V10-T307 HydrophobicContact CG2-CG2 4.44Å; S303-T307 VanDerWaalsContact O-CB 3.32Å; S303-T307 WeakPolarHBondContact O-CB 3.44Å; S303-T307 PolarHBondContact O-N 3.47Å; S303-T307 PolarHBondContact O-OG1 2.96Å; T307-L309 VanDerWaalsContact C-N 3.33Å; T307-L309 PolarHBondContact O-N 3.48Å; T307-H310 WeakPolarHBondContact O-CB 3.31Å; T307-H310 PolarHBondContact O-N 3.24Å; T307-T311 PolarHBondContact O-N 2.97Å; T307-T311 PolarHBondContact O-OG1 2.86Å; T307-T311 VanDerWaalsContact O-OG1 3.05Å
308T98.3Very high98.2Very high23 Ų2327.6 Ų27.614%0.14115%0.151CC..Hα-helixtrans-62.8-39.5178.2-60.40000112.2G304 G305 L306 F312 S333 N334 L335 W338G304-T308 WeakPolarHBondContact O-CB 3.46Å; G304-T308 PolarHBondContact O-N 2.96Å; G304-T308 PolarHBondContact O-OG1 3.41Å; G305-T308 PolarHBondContact O-N 2.93Å; L306-T308 VanDerWaalsContact C-N 3.34Å; L306-T308 PolarHBondContact O-N 3.25Å; T308-F312 WeakPolarHBondContact O-CB 3.45Å; T308-F312 PolarHBondContact O-N 3.04Å; T308-S333 WeakPolarHBondContact CG2-O 3.3Å; T308-N334 HydrophobicContact CG2-CB 4.3Å; T308-L335 HydrophobicContact CG2-CD2 3.75Å; T308-W338 HydrophobicContact CG2-CE3 4.37Å; T308-W338 HydrophobicContact CG2-CH2 3.96Å; T308-W338 HydrophobicContact CG2-CZ3 3.73Å; T308-W338 WeakPolarHBondContact OG1-CH2 3.13Å; T308-W338 WeakPolarHBondContact OG1-CZ2 3.41Å
309L98.8Very high98.2Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-65.3-45.4175.9172.960.3000111.2W13 G305 L306 T307 F312 I313 L335 R348 A349 V353W13-L309 HydrophobicContact CH2-CB 4.35Å; W13-L309 HydrophobicContact CH2-CD2 3.71Å; W13-L309 HydrophobicContact CH2-CG 3.79Å; G305-L309 WeakPolarHBondContact O-CB 3.44Å; G305-L309 PolarHBondContact O-N 3.28Å; L306-L309 HydrophobicContact CD2-CD2 4.39Å; L306-L309 PolarHBondContact O-N 3.46Å; T307-L309 VanDerWaalsContact C-N 3.33Å; T307-L309 PolarHBondContact O-N 3.48Å; L309-F312 WeakPolarHBondContact O-CB 3.45Å; L309-F312 PolarHBondContact O-N 3.25Å; L309-I313 HydrophobicContact CD1-CD1 3.87Å; L309-I313 HydrophobicContact CD1-CG1 4.23Å; L309-I313 HydrophobicContact CG-CD1 4.05Å; L309-I313 WeakPolarHBondContact O-CG1 3.3Å; L309-I313 PolarHBondContact O-N 3.28Å; L309-L335 HydrophobicContact CB-CD1 4.34Å; L309-L335 HydrophobicContact CB-CD2 3.9Å; L309-L335 HydrophobicContact CD1-CD1 3.81Å; L309-R348 HydrophobicContact CD2-CG 4.43Å; L309-A349 HydrophobicContact CD1-CB 3.9Å; L309-A349 HydrophobicContact CD2-CB 3.91Å; L309-V353 HydrophobicContact CD1-CG2 4.08Å
310H98.4Very high98.2Very high4 Ų428.9 Ų28.92%0.01915%0.151CC..Hα-helixtrans-56-56.8174-178.8-74.2000110.5V5 V10 W13 L306 T307 F312 I313 Y314V5-H310 WeakPolarHBondContact CG1-CE1 3.43Å; V5-H310 WeakPolarHBondContact CG1-ND1 3.46Å; V10-H310 HydrophobicContact CG2-CB 4.43Å; W13-H310 VanDerWaalsContact CB-CD2 3.49Å; W13-H310 WeakPolarHBondContact CB-CD2 3.19Å; W13-H310 HydrophobicContact CD2-CB 4.35Å; W13-H310 AromaticContact CD2-CD2 3.56Å; W13-H310 HydrophobicContact CE3-CB 3.85Å; W13-H310 AromaticContact CE3-CD2 3.8Å; W13-H310 AromaticContact CG-CD2 3.44Å; W13-H310 VanDerWaalsContact CG-CD2 3.44Å; W13-H310 HydrophobicContact CH2-CB 4.48Å; W13-H310 HydrophobicContact CZ3-CB 3.94Å; L306-H310 WeakPolarHBondContact O-CB 3.49Å; L306-H310 PolarHBondContact O-N 3.17Å; T307-H310 WeakPolarHBondContact O-CB 3.31Å; T307-H310 PolarHBondContact O-N 3.24Å; H310-F312 PolarHBondContact O-N 3.19Å; H310-I313 PolarHBondContact O-N 2.86Å; H310-Y314 AromaticContact CD2-CD2 3.73Å; H310-Y314 AromaticContact CD2-CE2 3.48Å; H310-Y314 VanDerWaalsContact CD2-CE2 3.48Å; H310-Y314 WeakPolarHBondContact CD2-CE2 3.4Å; H310-Y314 AromaticContact CE1-CD2 3.33Å; H310-Y314 WeakPolarHBondContact CE1-CD2 3.41Å; H310-Y314 AromaticContact CE1-CE2 3.68Å; H310-Y314 AromaticContact CE1-CG 3.88Å; H310-Y314 AromaticContact CG-CD2 3.86Å; H310-Y314 AromaticContact ND1-CD2 3.62Å; H310-Y314 AromaticContact NE2-CD2 3.41Å; H310-Y314 WeakPolarHBondContact NE2-CD2 3.37Å; H310-Y314 AromaticContact NE2-CE2 3.23Å; H310-Y314 WeakPolarHBondContact NE2-CE2 3.2Å; H310-Y314 AromaticContact NE2-CZ 3.88Å; H310-Y314 VanDerWaalsContact O-CD2 3.29Å; H310-Y314 WeakPolarHBondContact O-CD2 3.36Å; H310-Y314 PolarHBondContact O-N 3.41Å
311T97.6Very high98.2Very high30 Ų3028.9 Ų28.918%0.18415%0.153CC..Hα-helixtrans-58.4-35.9179.6-51.30000111.8T307 E315T307-T311 PolarHBondContact O-N 2.97Å; T307-T311 PolarHBondContact O-OG1 2.86Å; T307-T311 VanDerWaalsContact O-OG1 3.05Å; T311-E315 HydrophobicContact CG2-CG 4.17Å; T311-E315 VanDerWaalsContact CG2-OE2 3.29Å; T311-E315 WeakPolarHBondContact CG2-OE2 3.46Å; T311-E315 VanDerWaalsContact O-CB 3.27Å; T311-E315 WeakPolarHBondContact O-CB 3.42Å; T311-E315 PolarHBondContact O-N 3.3Å
312F98.5Very high98.2Very high0 Ų035.4 Ų35.40%019%0.188CC..Iπ-helixtrans-59.9-52.8172.7170.7-120.2000111.7T308 L309 H310 Y314 R316 L317 Y320 V353 F367T308-F312 WeakPolarHBondContact O-CB 3.45Å; T308-F312 PolarHBondContact O-N 3.04Å; L309-F312 WeakPolarHBondContact O-CB 3.45Å; L309-F312 PolarHBondContact O-N 3.25Å; H310-F312 PolarHBondContact O-N 3.19Å; F312-Y314 PolarHBondContact O-N 2.93Å; F312-R316 HydrophobicContact CD2-CB 3.82Å; F312-R316 HydrophobicContact CE2-CB 4.37Å; F312-R316 CarbonylContact O-C 3.57Å; F312-R316 WeakPolarHBondContact O-CA 3.4Å; F312-R316 PolarHBondContact O-N 2.94Å; F312-L317 HydrophobicContact CE1-CD1 3.86Å; F312-L317 HydrophobicContact CE2-CB 4.41Å; F312-L317 HydrophobicContact CE2-CD1 4.48Å; F312-L317 HydrophobicContact CZ-CB 4.29Å; F312-L317 HydrophobicContact CZ-CD1 3.65Å; F312-L317 PolarHBondContact O-N 2.9Å; F312-Y320 AromaticContact CE2-CD2 3.81Å; F312-Y320 HydrophobicContact CE2-CD2 3.81Å; F312-Y320 HydrophobicContact CE2-CE2 4.48Å; F312-Y320 HydrophobicContact CE2-CG 4.06Å; F312-Y320 HydrophobicContact CZ-CD1 4.46Å; F312-Y320 HydrophobicContact CZ-CD2 4.03Å; F312-Y320 AromaticContact CZ-CG 3.99Å; F312-Y320 HydrophobicContact CZ-CG 3.99Å; F312-V353 HydrophobicContact CD1-CG2 4.27Å; F312-V353 HydrophobicContact CE1-CG2 4.04Å; F312-F367 HydrophobicContact CD1-CD2 4.49Å; F312-F367 HydrophobicContact CD1-CE2 4.34Å; F312-F367 AromaticContact CE1-CD2 3.47Å; F312-F367 HydrophobicContact CE1-CD2 3.47Å; F312-F367 VanDerWaalsContact CE1-CD2 3.47Å; F312-F367 AromaticContact CE1-CE2 3.72Å; F312-F367 HydrophobicContact CE1-CE2 3.72Å; F312-F367 HydrophobicContact CE1-CG 4.12Å; F312-F367 AromaticContact CZ-CD2 3.8Å; F312-F367 HydrophobicContact CZ-CD2 3.8Å; F312-F367 HydrophobicContact CZ-CE2 4.37Å; F312-F367 HydrophobicContact CZ-CG 4.48Å
313I98.6Very high98.1Very high1 Ų135.4 Ų35.41%0.00519%0.188CC..Iπ-helixtrans-57.6-49.1-177.9-74.2169.6000111.6W13 L309 H310 L317 E352 V353 W356W13-I313 HydrophobicContact CZ2-CD1 4Å; L309-I313 HydrophobicContact CD1-CD1 3.87Å; L309-I313 HydrophobicContact CD1-CG1 4.23Å; L309-I313 HydrophobicContact CG-CD1 4.05Å; L309-I313 WeakPolarHBondContact O-CG1 3.3Å; L309-I313 PolarHBondContact O-N 3.28Å; H310-I313 PolarHBondContact O-N 2.86Å; I313-L317 WeakPolarHBondContact O-CB 3.45Å; I313-E352 HydrophobicContact CD1-CB 3.79Å; I313-V353 HydrophobicContact CD1-CG2 4.07Å; I313-V353 HydrophobicContact CG1-CG2 3.82Å; I313-W356 HydrophobicContact CG2-CD2 3.97Å; I313-W356 HydrophobicContact CG2-CG 4.06Å; I313-W356 HydrophobicContact CG2-CZ2 3.84Å
314Y96.7Very high98.1Very high97 Ų9735.2 Ų35.238%0.3818%0.179SC..Iπ-helixtrans-84.8-24-170.5-72-91.2000113.8H310 F312 W356H310-Y314 AromaticContact CD2-CD2 3.73Å; H310-Y314 AromaticContact CD2-CE2 3.48Å; H310-Y314 VanDerWaalsContact CD2-CE2 3.48Å; H310-Y314 WeakPolarHBondContact CD2-CE2 3.4Å; H310-Y314 AromaticContact CE1-CD2 3.33Å; H310-Y314 WeakPolarHBondContact CE1-CD2 3.41Å; H310-Y314 AromaticContact CE1-CE2 3.68Å; H310-Y314 AromaticContact CE1-CG 3.88Å; H310-Y314 AromaticContact CG-CD2 3.86Å; H310-Y314 AromaticContact ND1-CD2 3.62Å; H310-Y314 AromaticContact NE2-CD2 3.41Å; H310-Y314 WeakPolarHBondContact NE2-CD2 3.37Å; H310-Y314 AromaticContact NE2-CE2 3.23Å; H310-Y314 WeakPolarHBondContact NE2-CE2 3.2Å; H310-Y314 AromaticContact NE2-CZ 3.88Å; H310-Y314 VanDerWaalsContact O-CD2 3.29Å; H310-Y314 WeakPolarHBondContact O-CD2 3.36Å; H310-Y314 PolarHBondContact O-N 3.41Å; F312-Y314 PolarHBondContact O-N 2.93Å; Y314-W356 AromaticContact CD1-CH2 4Å; Y314-W356 HydrophobicContact CD1-CH2 4Å; Y314-W356 HydrophobicContact CD1-CZ2 4.12Å; Y314-W356 AromaticContact CE1-CH2 3.56Å; Y314-W356 HydrophobicContact CE1-CH2 3.56Å; Y314-W356 AromaticContact CE1-CZ2 3.5Å; Y314-W356 HydrophobicContact CE1-CZ2 3.5Å; Y314-W356 VanDerWaalsContact CE1-CZ2 3.5Å; Y314-W356 HydrophobicContact CE2-CZ2 4.2Å; Y314-W356 AromaticContact CZ-CZ2 3.55Å
315E96.2Very high98Very high72 Ų7238.2 Ų38.234%0.33619%0.194SC..Iπ-helixtrans-115.6-31.4-173.9-57.1179.3-170.600114.5S3 V5 T311S3-E315 WeakPolarHBondContact CB-OE1 3.4Å; S3-E315 PolarHBondContact OG-OE1 3.48Å; V5-E315 HydrophobicContact CG2-CG 4.26Å; T311-E315 HydrophobicContact CG2-CG 4.17Å; T311-E315 VanDerWaalsContact CG2-OE2 3.29Å; T311-E315 WeakPolarHBondContact CG2-OE2 3.46Å; T311-E315 VanDerWaalsContact O-CB 3.27Å; T311-E315 WeakPolarHBondContact O-CB 3.42Å; T311-E315 PolarHBondContact O-N 3.3Å
316R98Very high98Very high18 Ų1839 Ų397%0.06820%0.198CC..Iπ-helixtrans-118.4-31-166.4-65-168.8-59.8-78.83.3114F312 P318 K319 Y320 N330 L332 S333F312-R316 HydrophobicContact CD2-CB 3.82Å; F312-R316 HydrophobicContact CE2-CB 4.37Å; F312-R316 CarbonylContact O-C 3.57Å; F312-R316 WeakPolarHBondContact O-CA 3.4Å; F312-R316 PolarHBondContact O-N 2.94Å; R316-P318 VanDerWaalsContact C-N 3.33Å; R316-K319 PolarHBondContact O-N 3.05Å; R316-K319 VanDerWaalsContact O-N 3.08Å; R316-Y320 PolarHBondContact O-N 3.01Å; R316-N330 VanDerWaalsContact CD-O 3.29Å; R316-N330 WeakPolarHBondContact CD-O 3.12Å; R316-L332 PolarHBondContact NE-O 3.03Å; R316-S333 PolarHBondContact NH2-O 2.98Å
317L98.7Very high97.9Very high0 Ų039 Ų390%020%0.198CC..G310 helixtrans-51.6-41.2177.3-176.766.4000113.3F312 I313 K319 Y320 V353 W356 Y360 S363 V364F312-L317 HydrophobicContact CE1-CD1 3.86Å; F312-L317 HydrophobicContact CE2-CB 4.41Å; F312-L317 HydrophobicContact CE2-CD1 4.48Å; F312-L317 HydrophobicContact CZ-CB 4.29Å; F312-L317 HydrophobicContact CZ-CD1 3.65Å; F312-L317 PolarHBondContact O-N 2.9Å; I313-L317 WeakPolarHBondContact O-CB 3.45Å; L317-K319 PolarHBondContact O-N 2.77Å; L317-Y320 WeakPolarHBondContact O-CB 3.42Å; L317-Y320 PolarHBondContact O-N 3.14Å; L317-Y320 VanDerWaalsContact O-N 3.1Å; L317-V353 HydrophobicContact CD1-CG1 3.93Å; L317-V353 HydrophobicContact CD2-CG1 4.15Å; L317-W356 HydrophobicContact CD2-CB 3.76Å; L317-W356 HydrophobicContact CD2-CG 4.12Å; L317-Y360 HydrophobicContact CD2-CD2 4.05Å; L317-Y360 HydrophobicContact CG-CD2 4.19Å; L317-S363 WeakPolarHBondContact O-CB 3.39Å; L317-S363 PolarHBondContact O-OG 2.76Å; L317-V364 HydrophobicContact CD1-CG2 4.33Å; L317-V364 HydrophobicContact CD2-CG2 4.13Å
318P98.4Very high97.9Very high45 Ų4537.7 Ų37.729%0.29219%0.19SC..G310 helixtrans-56.9-30179.9-23.432.1000113.9R316 Y360R316-P318 VanDerWaalsContact C-N 3.33Å; P318-Y360 HydrophobicContact CB-CD1 4Å; P318-Y360 HydrophobicContact CB-CE1 3.68Å; P318-Y360 HydrophobicContact CB-CE2 4.43Å; P318-Y360 HydrophobicContact CG-CD1 4.4Å; P318-Y360 HydrophobicContact CG-CD2 4.35Å; P318-Y360 HydrophobicContact CG-CE1 3.86Å; P318-Y360 HydrophobicContact CG-CE2 3.8Å
319K98Very high97.8Very high139 Ų13941.3 Ų41.360%0.60420%0.204SC*.G310 helixtrans-105.91.5-177.2-59.6-178.3-1781770113.1R316 L317 D322 C323R316-K319 PolarHBondContact O-N 3.05Å; R316-K319 VanDerWaalsContact O-N 3.08Å; L317-K319 PolarHBondContact O-N 2.77Å; K319-D322 PolarHBondContact O-N 3.27Å; K319-C323 VanDerWaalsContact O-CB 3.24Å; K319-C323 WeakPolarHBondContact O-CB 3.4Å; K319-C323 PolarHBondContact O-N 3.06Å
320Y98.7Very high97.6Very high12 Ų1247 Ų475%0.04724%0.235CC..Hα-helixtrans-60.9-50.7-170.4177.8-107.1000112.1F312 R316 L317 D322 C323 R324 C331 L332 S363 A366 F367F312-Y320 AromaticContact CE2-CD2 3.81Å; F312-Y320 HydrophobicContact CE2-CD2 3.81Å; F312-Y320 HydrophobicContact CE2-CE2 4.48Å; F312-Y320 HydrophobicContact CE2-CG 4.06Å; F312-Y320 HydrophobicContact CZ-CD1 4.46Å; F312-Y320 HydrophobicContact CZ-CD2 4.03Å; F312-Y320 AromaticContact CZ-CG 3.99Å; F312-Y320 HydrophobicContact CZ-CG 3.99Å; R316-Y320 PolarHBondContact O-N 3.01Å; L317-Y320 WeakPolarHBondContact O-CB 3.42Å; L317-Y320 PolarHBondContact O-N 3.14Å; L317-Y320 VanDerWaalsContact O-N 3.1Å; Y320-D322 VanDerWaalsContact C-N 3.33Å; Y320-D322 PolarHBondContact O-N 3.07Å; Y320-C323 PolarHBondContact O-N 3.26Å; Y320-R324 HydrophobicContact CD2-CB 3.98Å; Y320-R324 HydrophobicContact CE2-CB 3.77Å; Y320-R324 WeakPolarHBondContact O-CB 3.44Å; Y320-R324 VanDerWaalsContact O-CG 3.29Å; Y320-R324 WeakPolarHBondContact O-CG 3.45Å; Y320-R324 PolarHBondContact O-N 3.38Å; Y320-R324 PolarHBondContact OH-NE 3.32Å; Y320-C331 WeakPolarHBondContact CD2-O 3.34Å; Y320-L332 HydrophobicContact CD2-CD2 4.44Å; Y320-L332 HydrophobicContact CE2-CD2 3.82Å; Y320-S363 WeakPolarHBondContact CD1-O 3.16Å; Y320-S363 PolarHBondContact N-OG 3.42Å; Y320-A366 HydrophobicContact CD1-CB 4.13Å; Y320-A366 HydrophobicContact CE1-CB 3.88Å; Y320-F367 HydrophobicContact CD1-CB 4.4Å; Y320-F367 HydrophobicContact CE1-CB 4.1Å
321A98.5Very high97.6Very high29 Ų2947 Ų4724%0.2424%0.235CC..Hα-helixtrans-55.4-47.7-18000000112.6D362 S363A321-D362 HydrophobicContact CB-CB 3.99Å; A321-S363 PolarHBondContact N-OG 2.7Å
322D97.7Very high97.6Very high139 Ų13946.7 Ų46.774%0.74323%0.232SC*.Hα-helixtrans-75.8-32.2-174.3-58.6-32.6000113.1K319 Y320K319-D322 PolarHBondContact O-N 3.27Å; Y320-D322 VanDerWaalsContact C-N 3.33Å; Y320-D322 PolarHBondContact O-N 3.07Å
323C97.8Very high97.6Very high15 Ų1547.6 Ų47.610%0.10124%0.238CC..Hα-helixtrans-108.8-12.8-168.4-60.80000114.2K319 Y320 N325 D326 K329 C331K319-C323 VanDerWaalsContact O-CB 3.24Å; K319-C323 WeakPolarHBondContact O-CB 3.4Å; K319-C323 PolarHBondContact O-N 3.06Å; Y320-C323 PolarHBondContact O-N 3.26Å; C323-N325 PolarHBondContact O-N 3.08Å; C323-D326 WeakPolarHBondContact O-CB 3.45Å; C323-D326 PolarHBondContact O-N 3.37Å; C323-K329 HydrophobicContact CB-CB 4.16Å; C323-K329 HydrophobicContact CB-CD 3.75Å; C323-K329 WeakPolarHBondContact SG-CD 3.4Å; C323-C331 HydrophobicContact CB-CB 3.67Å; C323-C331 WeakPolarHBondContact CB-SG 3.41Å; C323-C331 PolarHBondContact O-SG 2.92Å
324R97.1Very high97.6Very high54 Ų5448.8 Ų48.820%0.20425%0.245CC..THydrogen-bonded Turntrans-57.5-19.2-172.661.5-176.9-67.4-90.80.6115.9Y320 C331 L332 E370 H443Y320-R324 HydrophobicContact CD2-CB 3.98Å; Y320-R324 HydrophobicContact CE2-CB 3.77Å; Y320-R324 WeakPolarHBondContact O-CB 3.44Å; Y320-R324 VanDerWaalsContact O-CG 3.29Å; Y320-R324 WeakPolarHBondContact O-CG 3.45Å; Y320-R324 PolarHBondContact O-N 3.38Å; Y320-R324 PolarHBondContact OH-NE 3.32Å; R324-C331 PolarHBondContact N-SG 3.06Å; R324-L332 HydrophobicContact CB-CD2 3.77Å; R324-E370 IonicContact CZ-OE1 2.64Å; R324-E370 IonicContact NH1-OE1 3.86Å; R324-E370 VanDerWaalsContact NH2-CG 3.3Å; R324-E370 IonicContact NH2-OE1 3.36Å; R324-E370 PolarHBondContact NH2-OE1 3.47Å; R324-E370 IonicContact NH2-OE2 3.1Å; R324-H443 PolarHBondContact O-CE1 3.01Å; R324-H443 PolarHBondContact O-NE2 3.08Å
325N96.5Very high97.7Very high67 Ų6744.2 Ų44.236%0.35823%0.227SC..THydrogen-bonded Turntrans-97.9-0.5177.6-70.7-36.6000113.4C323 P327 F445C323-N325 PolarHBondContact O-N 3.08Å; N325-P327 WeakPolarHBondContact O-CD 3.44Å; N325-F445 HydrophobicContact CB-CD2 3.95Å; N325-F445 HydrophobicContact CB-CG 4.48Å
326D98Very high97.8Very high18 Ų1842.6 Ų42.610%0.09622%0.223CC..  trans-102.999.1179.4-175.8-14.7000109.9C323 T328 K329 F522C323-D326 WeakPolarHBondContact O-CB 3.45Å; C323-D326 PolarHBondContact O-N 3.37Å; D326-T328 PolarHBondContact O-N 3.21Å; D326-T328 WeakPolarHBondContact OD1-CA 3.32Å; D326-T328 VanDerWaalsContact OD1-CB 3.31Å; D326-T328 WeakPolarHBondContact OD1-CB 3.24Å; D326-T328 PolarHBondContact OD1-N 2.6Å; D326-T328 PolarHBondContact OD1-OG1 3.31Å; D326-K329 HydrophobicContact CB-CB 4.42Å; D326-K329 HydrophobicContact CB-CD 4.1Å; D326-K329 HydrophobicContact CB-CG 4.28Å; D326-K329 PolarHBondContact O-N 3.41Å; D326-K329 VanDerWaalsContact OD2-CD 3.24Å; D326-K329 WeakPolarHBondContact OD2-CD 3.41Å; D326-K329 WeakPolarHBondContact OD2-CE 3.4Å; D326-K329 WeakPolarHBondContact OD2-CG 3.45Å; D326-K329 IonicContact OD2-NZ 3.54Å; D326-K329 PolarHBondContact OD2-NZ 2.88Å; D326-F522 HydrophobicContact CB-CB 4.42Å; D326-F522 VanDerWaalsContact OD1-CB 3.25Å; D326-F522 WeakPolarHBondContact OD1-CB 3.5Å
327P97.8Very high97.8Very high7 Ų741.8 Ų41.85%0.04522%0.221CC..THydrogen-bonded Turntrans-65.8-9.4-17931-37.9000113.6N325 K329 H443 L446 F522 F527N325-P327 WeakPolarHBondContact O-CD 3.44Å; P327-K329 VanDerWaalsContact C-N 3.27Å; P327-H443 HydrophobicContact CB-CB 4Å; P327-L446 HydrophobicContact CB-CD1 3.69Å; P327-L446 HydrophobicContact CB-CG 4.08Å; P327-L446 HydrophobicContact CG-CD1 3.95Å; P327-L446 HydrophobicContact CG-CD2 4.31Å; P327-L446 HydrophobicContact CG-CG 4.08Å; P327-F522 VanDerWaalsContact CD-CD1 3.41Å; P327-F522 VanDerWaalsContact CD-CG 3.49Å; P327-F522 HydrophobicContact CG-CD1 3.87Å; P327-F522 HydrophobicContact CG-CD2 3.6Å; P327-F522 HydrophobicContact CG-CE1 3.81Å; P327-F522 HydrophobicContact CG-CE2 3.54Å; P327-F522 HydrophobicContact CG-CG 3.78Å; P327-F522 HydrophobicContact CG-CZ 3.67Å; P327-F527 HydrophobicContact CB-CD2 3.67Å; P327-F527 HydrophobicContact CB-CE2 3.8Å; P327-F527 HydrophobicContact CB-CG 4.46Å; P327-F527 HydrophobicContact CG-CD2 4.06Å; P327-F527 HydrophobicContact CG-CG 4.39Å
328T97.6Very high97.8Very high21 Ų2141.8 Ų41.813%0.12922%0.221CC..THydrogen-bonded Turntrans-80.3-11.9172.977.10000112D326 F522 S523 T526 F527 R530D326-T328 PolarHBondContact O-N 3.21Å; D326-T328 WeakPolarHBondContact OD1-CA 3.32Å; D326-T328 VanDerWaalsContact OD1-CB 3.31Å; D326-T328 WeakPolarHBondContact OD1-CB 3.24Å; D326-T328 PolarHBondContact OD1-N 2.6Å; D326-T328 PolarHBondContact OD1-OG1 3.31Å; T328-F522 HydrophobicContact CG2-CB 4.33Å; T328-F522 HydrophobicContact CG2-CD2 4.14Å; T328-S523 WeakPolarHBondContact CG2-O 3.29Å; T328-T526 HydrophobicContact CG2-CG2 4.1Å; T328-F527 HydrophobicContact CG2-CB 4.15Å; T328-R530 VanDerWaalsContact C-NH1 3.28Å; T328-R530 VanDerWaalsContact CA-NH1 3.34Å; T328-R530 PolarHBondContact O-NH1 3.17Å; T328-R530 PolarHBondContact O-NH2 3.03Å
329K96.9Very high97.8Very high99 Ų9940.7 Ų40.743%0.4321%0.211SC..SBendtrans-110.5131.7-177.3-65.1179.5-176.5153.10111.9C323 D326 P327 C331C323-K329 HydrophobicContact CB-CB 4.16Å; C323-K329 HydrophobicContact CB-CD 3.75Å; C323-K329 WeakPolarHBondContact SG-CD 3.4Å; D326-K329 HydrophobicContact CB-CB 4.42Å; D326-K329 HydrophobicContact CB-CD 4.1Å; D326-K329 HydrophobicContact CB-CG 4.28Å; D326-K329 PolarHBondContact O-N 3.41Å; D326-K329 VanDerWaalsContact OD2-CD 3.24Å; D326-K329 WeakPolarHBondContact OD2-CD 3.41Å; D326-K329 WeakPolarHBondContact OD2-CE 3.4Å; D326-K329 WeakPolarHBondContact OD2-CG 3.45Å; D326-K329 IonicContact OD2-NZ 3.54Å; D326-K329 PolarHBondContact OD2-NZ 2.88Å; P327-K329 VanDerWaalsContact C-N 3.27Å; K329-C331 PolarHBondContact O-N 3.24Å
330N94.8Very high97.8Very high120 Ų12034.9 Ų34.964%0.64219%0.186SC*.  trans-82.184.4174.2-175.422.5000110.9R316R316-N330 VanDerWaalsContact CD-O 3.29Å; R316-N330 WeakPolarHBondContact CD-O 3.12Å
331C96.8Very high97.8Very high3 Ų334.6 Ų34.62%0.0219%0.185CC..  trans-128.8-10.4-175.958.80000114.2Y320 C323 R324 K329Y320-C331 WeakPolarHBondContact CD2-O 3.34Å; C323-C331 HydrophobicContact CB-CB 3.67Å; C323-C331 WeakPolarHBondContact CB-SG 3.41Å; C323-C331 PolarHBondContact O-SG 2.92Å; R324-C331 PolarHBondContact N-SG 3.06Å; K329-C331 PolarHBondContact O-N 3.24Å
332L98.1Very high97.8Very high24 Ų2433.2 Ų33.213%0.12617%0.174CC..SBendtrans-72.1160.3-178.9-61.5-174.6000112.6R316 Y320 R324 N334 H443R316-L332 PolarHBondContact NE-O 3.03Å; Y320-L332 HydrophobicContact CD2-CD2 4.44Å; Y320-L332 HydrophobicContact CE2-CD2 3.82Å; R324-L332 HydrophobicContact CB-CD2 3.77Å; L332-N334 VanDerWaalsContact C-N 3.32Å; L332-N334 WeakPolarHBondContact CB-OD1 3.44Å; L332-H443 VanDerWaalsContact CD1-CD2 3.42Å; L332-H443 WeakPolarHBondContact CD1-CD2 3.18Å
333S98.4Very high97.8Very high20 Ų2026.6 Ų26.614%0.1414%0.138CC..  trans-65.8-37.1175.367.70000112.7T308 R316 L335T308-S333 WeakPolarHBondContact CG2-O 3.3Å; R316-S333 PolarHBondContact NH2-O 2.98Å; S333-L335 PolarHBondContact O-N 2.77Å; S333-L335 PolarHBondContact OG-N 3.06Å
334N98Very high97.9Very high26 Ų2626 Ų2614%0.13913%0.134CC..  trans68.310.7-175.2-51.5-23.6000114.2W297 T308 L332 S336 P337 W338 K441W297-N334 HydrophobicContact CH2-CB 4.48Å; W297-N334 HydrophobicContact CZ3-CB 4.02Å; T308-N334 HydrophobicContact CG2-CB 4.3Å; L332-N334 VanDerWaalsContact C-N 3.32Å; L332-N334 WeakPolarHBondContact CB-OD1 3.44Å; N334-S336 VanDerWaalsContact C-N 3.31Å; N334-S336 PolarHBondContact O-N 3.05Å; N334-P337 VanDerWaalsContact O-CD 3.3Å; N334-P337 WeakPolarHBondContact O-CD 3.21Å; N334-W338 WeakPolarHBondContact O-CZ3 3.49Å; N334-K441 PolarHBondContact OD1-NZ 2.87Å
335L98.7Very high98Very high0 Ų023.5 Ų23.50%013%0.125CC..  trans-76.7-7-170.7-64169.4000115.7T308 L309 S333 P337 W338 F339 I344 A349 F367T308-L335 HydrophobicContact CG2-CD2 3.75Å; L309-L335 HydrophobicContact CB-CD1 4.34Å; L309-L335 HydrophobicContact CB-CD2 3.9Å; L309-L335 HydrophobicContact CD1-CD1 3.81Å; S333-L335 PolarHBondContact O-N 2.77Å; S333-L335 PolarHBondContact OG-N 3.06Å; L335-P337 VanDerWaalsContact C-CD 3.47Å; L335-W338 PolarHBondContact O-N 2.85Å; L335-W338 VanDerWaalsContact O-N 3.13Å; L335-F339 HydrophobicContact CB-CD1 4.48Å; L335-F339 HydrophobicContact CB-CD2 4.22Å; L335-F339 HydrophobicContact CB-CE1 4.15Å; L335-F339 HydrophobicContact CB-CE2 3.86Å; L335-F339 HydrophobicContact CB-CZ 3.82Å; L335-F339 HydrophobicContact CD1-CE1 4.42Å; L335-F339 HydrophobicContact CD1-CE2 4.43Å; L335-F339 HydrophobicContact CD1-CZ 3.84Å; L335-F339 HydrophobicContact CG-CZ 4.45Å; L335-F339 PolarHBondContact O-N 3.16Å; L335-I344 HydrophobicContact CB-CD1 4.44Å; L335-I344 HydrophobicContact CD2-CD1 3.71Å; L335-I344 HydrophobicContact CG-CD1 4.44Å; L335-A349 HydrophobicContact CD1-CB 4.22Å; L335-F367 HydrophobicContact CD1-CE2 4.2Å; L335-F367 HydrophobicContact CD1-CZ 4.15Å
336S98.3Very high98.1Very high38 Ų3820.4 Ų20.427%0.26611%0.109SC..Hα-helixtrans-59.8-34.7-17157.20000115.3N334 F339 H340 D479N334-S336 VanDerWaalsContact C-N 3.31Å; N334-S336 PolarHBondContact O-N 3.05Å; S336-F339 PolarHBondContact O-N 2.76Å; S336-H340 WeakPolarHBondContact O-CB 3.22Å; S336-H340 PolarHBondContact O-N 3.1Å; S336-D479 WeakPolarHBondContact CB-OD2 3.49Å; S336-D479 PolarHBondContact OG-OD2 2.79Å
337P98.5Very high98.1Very high2 Ų219.8 Ų19.81%0.01311%0.105CC..Hα-helixtrans-60.9-45.9173.1-25.637.4000112.7F121 W297 N334 L335 F339 H340 Y341 L478F121-P337 HydrophobicContact CE1-CB 4Å; F121-P337 HydrophobicContact CE2-CB 4.25Å; F121-P337 HydrophobicContact CZ-CB 3.72Å; W297-P337 HydrophobicContact CH2-CG 3.92Å; W297-P337 HydrophobicContact CZ2-CG 4.39Å; N334-P337 VanDerWaalsContact O-CD 3.3Å; N334-P337 WeakPolarHBondContact O-CD 3.21Å; L335-P337 VanDerWaalsContact C-CD 3.47Å; P337-F339 VanDerWaalsContact C-N 3.33Å; P337-F339 PolarHBondContact O-N 2.88Å; P337-H340 PolarHBondContact O-N 3.16Å; P337-Y341 WeakPolarHBondContact O-CD2 3.37Å; P337-Y341 PolarHBondContact O-N 3.44Å; P337-Y341 VanDerWaalsContact O-N 3.1Å; P337-L478 HydrophobicContact CB-CB 3.95Å; P337-L478 HydrophobicContact CB-CD1 4.37Å; P337-L478 HydrophobicContact CG-CB 3.88Å; P337-L478 HydrophobicContact CG-CD1 4.16Å
338W98.8Very high98.2Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-71.3-29.1-179.9-61.8-88.9000112.7F121 W297 A298 I299 G301 G305 T308 N334 L335 G342 Q343 I344F121-W338 HydrophobicContact CE2-CZ2 4.48Å; F121-W338 AromaticContact CZ-CD1 3.92Å; F121-W338 HydrophobicContact CZ-CD2 4.13Å; F121-W338 AromaticContact CZ-CE2 3.89Å; F121-W338 HydrophobicContact CZ-CG 4.19Å; F121-W338 HydrophobicContact CZ-CZ2 4.46Å; F121-W338 AromaticContact CZ-NE1 3.71Å; W297-W338 HydrophobicContact CH2-CZ3 4.42Å; W297-W338 AromaticContact CZ3-CH2 3.99Å; W297-W338 HydrophobicContact CZ3-CH2 3.99Å; W297-W338 HydrophobicContact CZ3-CZ3 4.01Å; A298-W338 HydrophobicContact CB-CH2 3.84Å; A298-W338 HydrophobicContact CB-CZ2 4.1Å; I299-W338 VanDerWaalsContact O-CE2 3.31Å; I299-W338 WeakPolarHBondContact O-CZ2 3.34Å; I299-W338 PolarHBondContact O-NE1 2.92Å; G301-W338 VanDerWaalsContact O-CD1 3.29Å; G301-W338 PolarHBondContact O-NE1 3.45Å; G305-W338 VanDerWaalsContact CA-CG 3.46Å; G305-W338 VanDerWaalsContact N-CD1 3.34Å; T308-W338 HydrophobicContact CG2-CE3 4.37Å; T308-W338 HydrophobicContact CG2-CH2 3.96Å; T308-W338 HydrophobicContact CG2-CZ3 3.73Å; T308-W338 WeakPolarHBondContact OG1-CH2 3.13Å; T308-W338 WeakPolarHBondContact OG1-CZ2 3.41Å; N334-W338 WeakPolarHBondContact O-CZ3 3.49Å; L335-W338 PolarHBondContact O-N 2.85Å; L335-W338 VanDerWaalsContact O-N 3.13Å; W338-G342 CarbonylContact O-C 3.54Å; W338-G342 WeakPolarHBondContact O-CA 3.43Å; W338-G342 PolarHBondContact O-N 3.39Å; W338-Q343 HydrophobicContact CB-CB 4.27Å; W338-Q343 PolarHBondContact O-N 3.06Å; W338-I344 HydrophobicContact CB-CD1 3.99Å; W338-I344 HydrophobicContact CB-CG1 3.81Å; W338-I344 PolarHBondContact O-N 2.8Å
339F98.7Very high98.2Very high22 Ų2218.5 Ų18.510%0.09610%0.097CC..Hα-helixtrans-69.5-45.4169.4-67.7-16.7000111.3H226 L335 S336 P337 Y341 G342 I344 P346 A349H226-F339 PolarHBondContact CE1-O 3.13Å; L335-F339 HydrophobicContact CB-CD1 4.48Å; L335-F339 HydrophobicContact CB-CD2 4.22Å; L335-F339 HydrophobicContact CB-CE1 4.15Å; L335-F339 HydrophobicContact CB-CE2 3.86Å; L335-F339 HydrophobicContact CB-CZ 3.82Å; L335-F339 HydrophobicContact CD1-CE1 4.42Å; L335-F339 HydrophobicContact CD1-CE2 4.43Å; L335-F339 HydrophobicContact CD1-CZ 3.84Å; L335-F339 HydrophobicContact CG-CZ 4.45Å; L335-F339 PolarHBondContact O-N 3.16Å; S336-F339 PolarHBondContact O-N 2.76Å; P337-F339 VanDerWaalsContact C-N 3.33Å; P337-F339 PolarHBondContact O-N 2.88Å; F339-Y341 PolarHBondContact O-N 2.86Å; F339-G342 PolarHBondContact O-N 3.28Å; F339-I344 HydrophobicContact CD1-CD1 3.88Å; F339-I344 HydrophobicContact CD1-CG1 3.57Å; F339-I344 HydrophobicContact CE1-CD1 3.53Å; F339-I344 HydrophobicContact CE1-CG1 3.59Å; F339-I344 HydrophobicContact CZ-CD1 4.5Å; F339-P346 HydrophobicContact CB-CG 4.42Å; F339-P346 HydrophobicContact CD1-CB 4.36Å; F339-P346 HydrophobicContact CD1-CG 3.7Å; F339-P346 HydrophobicContact CD2-CG 4.43Å; F339-P346 HydrophobicContact CE1-CB 4.14Å; F339-P346 HydrophobicContact CE1-CG 3.96Å; F339-P346 HydrophobicContact CG-CG 3.95Å; F339-P346 HydrophobicContact CZ-CB 4.27Å; F339-P346 HydrophobicContact CZ-CG 4.46Å; F339-A349 HydrophobicContact CE1-CB 3.92Å; F339-A349 HydrophobicContact CZ-CB 3.65Å
340H98.1Very high98.3Very high16 Ų1613.8 Ų13.87%0.0748%0.076CC..Hα-helixtrans-57.8-49.8-179.6168.758.8000112.3S336 P337 G342 L478 D479 G480 D482S336-H340 WeakPolarHBondContact O-CB 3.22Å; S336-H340 PolarHBondContact O-N 3.1Å; P337-H340 PolarHBondContact O-N 3.16Å; H340-G342 PolarHBondContact O-N 2.82Å; H340-L478 PolarHBondContact CD2-O 2.91Å; H340-D479 HydrophobicContact CB-CB 4.13Å; H340-G480 PolarHBondContact CE1-O 3.1Å; H340-G480 PolarHBondContact ND1-O 2.9Å; H340-G480 PolarHBondContact NE2-O 3.39Å; H340-D482 WeakPolarHBondContact ND1-CB 3.19Å; H340-D482 IonicContact ND1-OD2 2.64Å
341Y98.3Very high98.5Very high6 Ų69.6 Ų9.62%0.0245%0.053CC..THydrogen-bonded Turntrans-80.62.7176.1-68.8-77.8000113.7R77 Q79 H118 F121 M122 P337 F339 Q343 L478R77-Y341 CarbonylContact O-C 3.14Å; Q79-Y341 WeakPolarHBondContact CB-O 3.41Å; Q79-Y341 VanDerWaalsContact CG-O 3.31Å; Q79-Y341 WeakPolarHBondContact CG-O 3.27Å; Q79-Y341 PolarHBondContact N-O 3.08Å; H118-Y341 WeakPolarHBondContact CA-OH 3.5Å; H118-Y341 VanDerWaalsContact CB-OH 3.26Å; H118-Y341 WeakPolarHBondContact CB-OH 3.45Å; F121-Y341 AromaticContact CD1-CD2 3.32Å; F121-Y341 HydrophobicContact CD1-CD2 3.32Å; F121-Y341 AromaticContact CD1-CE2 3.52Å; F121-Y341 HydrophobicContact CD1-CE2 3.52Å; F121-Y341 HydrophobicContact CD1-CG 4.12Å; F121-Y341 AromaticContact CE1-CD2 3.55Å; F121-Y341 HydrophobicContact CE1-CD2 3.55Å; F121-Y341 HydrophobicContact CE1-CE2 4.15Å; F121-Y341 HydrophobicContact CE1-CG 4.33Å; F121-Y341 HydrophobicContact CG-CD2 4.5Å; F121-Y341 HydrophobicContact CG-CE2 4.35Å; M122-Y341 HydrophobicContact CB-CD1 3.86Å; M122-Y341 HydrophobicContact CB-CE1 3.59Å; M122-Y341 HydrophobicContact CG-CD1 3.89Å; M122-Y341 HydrophobicContact CG-CE1 3.94Å; M122-Y341 HydrophobicContact SD-CE1 4.28Å; P337-Y341 WeakPolarHBondContact O-CD2 3.37Å; P337-Y341 PolarHBondContact O-N 3.44Å; P337-Y341 VanDerWaalsContact O-N 3.1Å; F339-Y341 PolarHBondContact O-N 2.86Å; Y341-Q343 PolarHBondContact O-N 2.88Å; Y341-Q343 VanDerWaalsContact O-N 3.13Å; Y341-L478 WeakPolarHBondContact CE2-O 3.26Å
342G98.6Very high98.6Very high0 Ų09.6 Ų9.60%05%0.053CC..THydrogen-bonded Turntrans59.725.7-179.900000114.9R77 D78 Q79 R80 W338 F339 H340 I344R77-G342 WeakPolarHBondContact O-CA 3.31Å; R77-G342 PolarHBondContact O-N 3.48Å; D78-G342 CarbonylContact C-O 3.59Å; Q79-G342 CarbonylContact C-O 3.49Å; Q79-G342 PolarHBondContact N-O 3.34Å; R80-G342 VanDerWaalsContact CD-O 3.24Å; R80-G342 WeakPolarHBondContact CD-O 3.35Å; R80-G342 VanDerWaalsContact CG-O 3.26Å; R80-G342 WeakPolarHBondContact CG-O 3.34Å; R80-G342 PolarHBondContact NH1-O 3.42Å; W338-G342 CarbonylContact O-C 3.54Å; W338-G342 WeakPolarHBondContact O-CA 3.43Å; W338-G342 PolarHBondContact O-N 3.39Å; F339-G342 PolarHBondContact O-N 3.28Å; H340-G342 PolarHBondContact O-N 2.82Å; G342-I344 VanDerWaalsContact C-N 3.27Å; G342-I344 PolarHBondContact O-N 3.42Å
343Q98.8Very high98.6Very high0 Ų08.4 Ų8.40%05%0.047CC..SBendtrans-73.1-19.5178.2-66.9174.3-0.400112.2F121 T302 W338 Y341F121-Q343 PolarHBondContact O-NE2 3.33Å; T302-Q343 VanDerWaalsContact CA-O 3.29Å; T302-Q343 WeakPolarHBondContact CA-O 3.34Å; T302-Q343 WeakPolarHBondContact CB-O 3.48Å; T302-Q343 WeakPolarHBondContact CG2-O 3.46Å; T302-Q343 PolarHBondContact OG1-O 2.66Å; T302-Q343 VanDerWaalsContact OG1-O 3.09Å; W338-Q343 HydrophobicContact CB-CB 4.27Å; W338-Q343 PolarHBondContact O-N 3.06Å; Y341-Q343 PolarHBondContact O-N 2.88Å; Y341-Q343 VanDerWaalsContact O-N 3.13Å
344I98.8Very high98.6Very high3 Ų311.3 Ų11.32%0.0156%0.057CC..SBendtrans-135.2147.1165.565.3179.3000110.1T302 L306 L335 W338 F339 G342 P346T302-I344 HydrophobicContact CG2-CG2 4.43Å; L306-I344 HydrophobicContact CD2-CG2 4.4Å; L306-I344 HydrophobicContact CG-CG2 4.26Å; L335-I344 HydrophobicContact CB-CD1 4.44Å; L335-I344 HydrophobicContact CD2-CD1 3.71Å; L335-I344 HydrophobicContact CG-CD1 4.44Å; W338-I344 HydrophobicContact CB-CD1 3.99Å; W338-I344 HydrophobicContact CB-CG1 3.81Å; W338-I344 PolarHBondContact O-N 2.8Å; F339-I344 HydrophobicContact CD1-CD1 3.88Å; F339-I344 HydrophobicContact CD1-CG1 3.57Å; F339-I344 HydrophobicContact CE1-CD1 3.53Å; F339-I344 HydrophobicContact CE1-CG1 3.59Å; F339-I344 HydrophobicContact CZ-CD1 4.5Å; G342-I344 VanDerWaalsContact C-N 3.27Å; G342-I344 PolarHBondContact O-N 3.42Å; I344-P346 WeakPolarHBondContact O-CD 3.32Å
345A98.8Very high98.6Very high2 Ų214.7 Ų14.72%0.0178%0.075CC..  trans-72.6127.8174.200000110.6D83 F260 Q347 R348 A349D83-A345 HydrophobicContact CB-CB 3.75Å; D83-A345 WeakPolarHBondContact O-CB 3.31Å; F260-A345 HydrophobicContact CE2-CB 4.49Å; F260-A345 HydrophobicContact CZ-CB 4.04Å; A345-Q347 PolarHBondContact O-N 2.65Å; A345-R348 HydrophobicContact CB-CB 4.05Å; A345-R348 WeakPolarHBondContact O-CB 3.31Å; A345-R348 PolarHBondContact O-N 2.94Å; A345-A349 PolarHBondContact O-N 2.72Å
346P98.8Very high98.6Very high1 Ų117.1 Ų17.11%0.0068%0.084CC..Hα-helixtrans-58.9-33170.6-30.341.9000112.3F339 I344 R348 A349 I350 R375F339-P346 HydrophobicContact CB-CG 4.42Å; F339-P346 HydrophobicContact CD1-CB 4.36Å; F339-P346 HydrophobicContact CD1-CG 3.7Å; F339-P346 HydrophobicContact CD2-CG 4.43Å; F339-P346 HydrophobicContact CE1-CB 4.14Å; F339-P346 HydrophobicContact CE1-CG 3.96Å; F339-P346 HydrophobicContact CG-CG 3.95Å; F339-P346 HydrophobicContact CZ-CB 4.27Å; F339-P346 HydrophobicContact CZ-CG 4.46Å; I344-P346 WeakPolarHBondContact O-CD 3.32Å; P346-R348 PolarHBondContact O-N 3.05Å; P346-A349 PolarHBondContact O-N 3.24Å; P346-I350 WeakPolarHBondContact O-CD1 3.49Å; P346-I350 VanDerWaalsContact O-CG1 3.26Å; P346-I350 WeakPolarHBondContact O-CG1 3.14Å; P346-I350 PolarHBondContact O-N 3.28Å; P346-R375 VanDerWaalsContact CB-CZ 3.49Å
347Q98.8Very high98.6Very high5 Ų520.6 Ų20.62%0.0239%0.091CC..Hα-helixtrans-57-46.6171.6-179.8169.9-21.500112.3V228 L256 M257 T258 F260 A345 A349 I350 M351V228-Q347 HydrophobicContact CG2-CB 3.88Å; V228-Q347 HydrophobicContact CG2-CG 4.25Å; L256-Q347 PolarHBondContact O-NE2 3.49Å; M257-Q347 HydrophobicContact CG-CG 4.43Å; T258-Q347 PolarHBondContact O-NE2 3.06Å; F260-Q347 HydrophobicContact CE2-CB 4.09Å; F260-Q347 HydrophobicContact CE2-CG 3.79Å; F260-Q347 HydrophobicContact CZ-CB 3.84Å; F260-Q347 HydrophobicContact CZ-CG 3.83Å; A345-Q347 PolarHBondContact O-N 2.65Å; Q347-A349 VanDerWaalsContact C-N 3.35Å; Q347-A349 PolarHBondContact O-N 3.13Å; Q347-I350 PolarHBondContact O-N 3.41Å; Q347-M351 HydrophobicContact CG-CG 4.44Å; Q347-M351 HydrophobicContact CG-SD 3.94Å; Q347-M351 WeakPolarHBondContact O-CB 3.33Å; Q347-M351 VanDerWaalsContact O-CG 3.28Å; Q347-M351 WeakPolarHBondContact O-CG 3.4Å; Q347-M351 PolarHBondContact O-N 3.11Å
348R98.7Very high98.6Very high1 Ų128.2 Ų28.20%0.00413%0.126CC..Hα-helixtrans-56.9-50.5174.7169.65863.6-155.1-7.1110.4D83 E259 L306 L309 A345 P346 I350 M351 E352D83-R348 IonicContact OD1-NH2 3.04Å; D83-R348 PolarHBondContact OD1-NH2 3.39Å; D83-R348 VanDerWaalsContact OD1-NH2 3.16Å; D83-R348 IonicContact OD2-CZ 2.83Å; D83-R348 IonicContact OD2-NE 3.24Å; D83-R348 PolarHBondContact OD2-NE 2.98Å; D83-R348 IonicContact OD2-NH2 3.83Å; D83-R348 PolarHBondContact OD2-NH2 2.99Å; E259-R348 IonicContact OE1-CZ 3.95Å; E259-R348 VanDerWaalsContact OE1-CZ 3.3Å; E259-R348 IonicContact OE1-NH1 3.9Å; E259-R348 PolarHBondContact OE1-NH1 3.07Å; E259-R348 IonicContact OE1-NH2 3.8Å; E259-R348 PolarHBondContact OE1-NH2 3.08Å; E259-R348 IonicContact OE2-CZ 3.15Å; E259-R348 IonicContact OE2-NH1 3.89Å; E259-R348 PolarHBondContact OE2-NH1 3.16Å; E259-R348 IonicContact OE2-NH2 3.82Å; L306-R348 HydrophobicContact CD2-CG 4.12Å; L309-R348 HydrophobicContact CD2-CG 4.43Å; A345-R348 HydrophobicContact CB-CB 4.05Å; A345-R348 WeakPolarHBondContact O-CB 3.31Å; A345-R348 PolarHBondContact O-N 2.94Å; P346-R348 PolarHBondContact O-N 3.05Å; R348-I350 VanDerWaalsContact C-N 3.32Å; R348-I350 PolarHBondContact O-N 2.68Å; R348-M351 PolarHBondContact O-N 3.04Å; R348-E352 HydrophobicContact CG-CG 4.4Å; R348-E352 IonicContact CZ-OE1 3.82Å; R348-E352 IonicContact NH1-OE1 3.76Å; R348-E352 PolarHBondContact NH1-OE1 3.41Å; R348-E352 WeakPolarHBondContact O-CG 3.41Å; R348-E352 PolarHBondContact O-N 3.44Å
349A98.9Very high98.6Very high0 Ų034.2 Ų34.20%015%0.152CC..Hα-helixtrans-58.3-44.1179.800000112.6L309 L335 F339 A345 P346 Q347 V353 F367L309-A349 HydrophobicContact CD1-CB 3.9Å; L309-A349 HydrophobicContact CD2-CB 3.91Å; L335-A349 HydrophobicContact CD1-CB 4.22Å; F339-A349 HydrophobicContact CE1-CB 3.92Å; F339-A349 HydrophobicContact CZ-CB 3.65Å; A345-A349 PolarHBondContact O-N 2.72Å; P346-A349 PolarHBondContact O-N 3.24Å; Q347-A349 VanDerWaalsContact C-N 3.35Å; Q347-A349 PolarHBondContact O-N 3.13Å; A349-V353 WeakPolarHBondContact O-CB 3.48Å; A349-V353 WeakPolarHBondContact O-CG2 3.42Å; A349-V353 PolarHBondContact O-N 2.89Å; A349-F367 HydrophobicContact CB-CE1 4.44Å; A349-F367 HydrophobicContact CB-CZ 4.1Å
350I98.9Very high98.6Very high0 Ų035.4 Ų35.40%016%0.157CC..Hα-helixtrans-62.8-45.4176.7-68.6157.9000111.2V228 M257 P346 Q347 R348 K354 F367 V368 A371 F372V228-I350 HydrophobicContact CG2-CD1 4.01Å; M257-I350 HydrophobicContact CE-CG2 3.74Å; M257-I350 HydrophobicContact SD-CG2 3.81Å; P346-I350 WeakPolarHBondContact O-CD1 3.49Å; P346-I350 VanDerWaalsContact O-CG1 3.26Å; P346-I350 WeakPolarHBondContact O-CG1 3.14Å; P346-I350 PolarHBondContact O-N 3.28Å; Q347-I350 PolarHBondContact O-N 3.41Å; R348-I350 VanDerWaalsContact C-N 3.32Å; R348-I350 PolarHBondContact O-N 2.68Å; I350-K354 HydrophobicContact CG2-CD 4.01Å; I350-K354 HydrophobicContact CG2-CG 4.37Å; I350-K354 VanDerWaalsContact O-CB 3.32Å; I350-K354 WeakPolarHBondContact O-CB 3.3Å; I350-K354 VanDerWaalsContact O-CG 3.25Å; I350-K354 WeakPolarHBondContact O-CG 3.42Å; I350-K354 PolarHBondContact O-N 3.04Å; I350-F367 HydrophobicContact CG1-CE1 4.26Å; I350-V368 HydrophobicContact CG2-CG2 4.28Å; I350-A371 HydrophobicContact CD1-CB 4.45Å; I350-A371 HydrophobicContact CG1-CB 4.13Å; I350-F372 HydrophobicContact CD1-CB 3.73Å; I350-F372 HydrophobicContact CD1-CD2 4.5Å; I350-F372 HydrophobicContact CD1-CG 4.3Å
351M98.7Very high98.6Very high32 Ų3239.4 Ų39.416%0.15817%0.174CC..Hα-helixtrans-61.7-48.2-179.8-73.5176.260.700111.7M257 E259 Q347 R348 K354 L355M257-M351 HydrophobicContact CG-CG 4.04Å; E259-M351 HydrophobicContact CB-CE 4.19Å; Q347-M351 HydrophobicContact CG-CG 4.44Å; Q347-M351 HydrophobicContact CG-SD 3.94Å; Q347-M351 WeakPolarHBondContact O-CB 3.33Å; Q347-M351 VanDerWaalsContact O-CG 3.28Å; Q347-M351 WeakPolarHBondContact O-CG 3.4Å; Q347-M351 PolarHBondContact O-N 3.11Å; R348-M351 PolarHBondContact O-N 3.04Å; M351-K354 WeakPolarHBondContact O-CB 3.25Å; M351-K354 PolarHBondContact O-N 3.35Å; M351-L355 PolarHBondContact O-N 3.28Å
352E98.7Very high98.6Very high3 Ų344.3 Ų44.31%0.01420%0.2CC..Hα-helixtrans-67.7-39.8-179.5-60.1-53.9140.800112.2W13 I17 K20 I313 R348 K354 L355 W356W13-E352 HydrophobicContact CH2-CB 4.48Å; W13-E352 HydrophobicContact CH2-CG 4.15Å; W13-E352 HydrophobicContact CZ2-CB 3.8Å; W13-E352 HydrophobicContact CZ2-CG 3.64Å; I17-E352 HydrophobicContact CD1-CG 4.48Å; K20-E352 IonicContact NZ-OE1 3.94Å; K20-E352 IonicContact NZ-OE2 3.16Å; K20-E352 PolarHBondContact NZ-OE2 3.24Å; I313-E352 HydrophobicContact CD1-CB 3.79Å; R348-E352 HydrophobicContact CG-CG 4.4Å; R348-E352 IonicContact CZ-OE1 3.82Å; R348-E352 IonicContact NH1-OE1 3.76Å; R348-E352 PolarHBondContact NH1-OE1 3.41Å; R348-E352 WeakPolarHBondContact O-CG 3.41Å; R348-E352 PolarHBondContact O-N 3.44Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 3.45Å; E352-L355 WeakPolarHBondContact O-CB 3.33Å; E352-L355 PolarHBondContact O-N 3.07Å; E352-W356 VanDerWaalsContact O-CD1 3.27Å
353V98.8Very high98.7Very high0 Ų044.5 Ų44.50%020%0.202CC..Hα-helixtrans-65.2-36.2175.7171.90000111.2L309 F312 I313 L317 A349 L355 W356 V364 F367L309-V353 HydrophobicContact CD1-CG2 4.08Å; F312-V353 HydrophobicContact CD1-CG2 4.27Å; F312-V353 HydrophobicContact CE1-CG2 4.04Å; I313-V353 HydrophobicContact CD1-CG2 4.07Å; I313-V353 HydrophobicContact CG1-CG2 3.82Å; L317-V353 HydrophobicContact CD1-CG1 3.93Å; L317-V353 HydrophobicContact CD2-CG1 4.15Å; A349-V353 WeakPolarHBondContact O-CB 3.48Å; A349-V353 WeakPolarHBondContact O-CG2 3.42Å; A349-V353 PolarHBondContact O-N 2.89Å; V353-L355 PolarHBondContact O-N 2.77Å; V353-W356 PolarHBondContact O-N 3.45Å; V353-W356 VanDerWaalsContact O-N 3.08Å; V353-V364 HydrophobicContact CG1-CB 4.3Å; V353-V364 HydrophobicContact CG1-CG1 4.17Å; V353-V364 HydrophobicContact CG1-CG2 3.87Å; V353-V364 WeakPolarHBondContact O-CG2 3.08Å; V353-F367 HydrophobicContact CB-CD1 3.87Å; V353-F367 HydrophobicContact CB-CE1 4.03Å; V353-F367 HydrophobicContact CG1-CB 4.15Å; V353-F367 HydrophobicContact CG1-CD1 3.65Å; V353-F367 HydrophobicContact CG1-CE1 4.32Å; V353-F367 HydrophobicContact CG1-CG 4.01Å; V353-F367 HydrophobicContact CG2-CD1 3.9Å; V353-F367 HydrophobicContact CG2-CE1 3.75Å; V353-F367 HydrophobicContact CG2-CG 4.41Å; V353-F367 HydrophobicContact CG2-CZ 4.13Å
354K98.4Very high98.7Very high81 Ų8144.5 Ų44.535%0.35220%0.202SC..Hα-helixtrans-61.6-28.5178.1-85.6-179.7172.8-172.90113.8M257 I350 M351 E352 W356 R357 V364 V368M257-K354 HydrophobicContact SD-CD 4.14Å; M257-K354 PolarHBondContact SD-NZ 3.19Å; I350-K354 HydrophobicContact CG2-CD 4.01Å; I350-K354 HydrophobicContact CG2-CG 4.37Å; I350-K354 VanDerWaalsContact O-CB 3.32Å; I350-K354 WeakPolarHBondContact O-CB 3.3Å; I350-K354 VanDerWaalsContact O-CG 3.25Å; I350-K354 WeakPolarHBondContact O-CG 3.42Å; I350-K354 PolarHBondContact O-N 3.04Å; M351-K354 WeakPolarHBondContact O-CB 3.25Å; M351-K354 PolarHBondContact O-N 3.35Å; E352-K354 VanDerWaalsContact C-N 3.32Å; E352-K354 PolarHBondContact O-N 3.45Å; K354-W356 PolarHBondContact O-N 2.76Å; K354-W356 VanDerWaalsContact O-N 3.13Å; K354-R357 VanDerWaalsContact O-CB 3.26Å; K354-R357 WeakPolarHBondContact O-CB 3.29Å; K354-R357 PolarHBondContact O-N 3.1Å; K354-R357 VanDerWaalsContact O-N 3.09Å; K354-V364 HydrophobicContact CG-CG1 4.43Å; K354-V368 HydrophobicContact CG-CG2 4.24Å
355L98.3Very high98.7Very high96 Ų9647 Ų4750%0.50322%0.215SC..THydrogen-bonded Turntrans-58.3-26.4175.6-61.1177.9000112.2M351 E352 V353 H358M351-L355 PolarHBondContact O-N 3.28Å; E352-L355 WeakPolarHBondContact O-CB 3.33Å; E352-L355 PolarHBondContact O-N 3.07Å; V353-L355 PolarHBondContact O-N 2.77Å; L355-H358 PolarHBondContact O-CE1 2.96Å; L355-H358 PolarHBondContact O-ND1 3.08Å
356W98.6Very high98.7Very high51 Ų5148 Ų4819%0.19322%0.223CC..THydrogen-bonded Turntrans-91.73.1-178.1-61.784.4000114.2I313 Y314 L317 E352 V353 K354 H358 K359 Y360 V364I313-W356 HydrophobicContact CG2-CD2 3.97Å; I313-W356 HydrophobicContact CG2-CG 4.06Å; I313-W356 HydrophobicContact CG2-CZ2 3.84Å; Y314-W356 AromaticContact CD1-CH2 4Å; Y314-W356 HydrophobicContact CD1-CH2 4Å; Y314-W356 HydrophobicContact CD1-CZ2 4.12Å; Y314-W356 AromaticContact CE1-CH2 3.56Å; Y314-W356 HydrophobicContact CE1-CH2 3.56Å; Y314-W356 AromaticContact CE1-CZ2 3.5Å; Y314-W356 HydrophobicContact CE1-CZ2 3.5Å; Y314-W356 VanDerWaalsContact CE1-CZ2 3.5Å; Y314-W356 HydrophobicContact CE2-CZ2 4.2Å; Y314-W356 AromaticContact CZ-CZ2 3.55Å; L317-W356 HydrophobicContact CD2-CB 3.76Å; L317-W356 HydrophobicContact CD2-CG 4.12Å; E352-W356 VanDerWaalsContact O-CD1 3.27Å; V353-W356 PolarHBondContact O-N 3.45Å; V353-W356 VanDerWaalsContact O-N 3.08Å; K354-W356 PolarHBondContact O-N 2.76Å; K354-W356 VanDerWaalsContact O-N 3.13Å; W356-H358 PolarHBondContact O-N 3.16Å; W356-K359 PolarHBondContact O-N 2.81Å; W356-Y360 HydrophobicContact CB-CD2 4.11Å; W356-Y360 HydrophobicContact CE3-CD2 4.3Å; W356-Y360 AromaticContact CE3-CE2 3.77Å; W356-Y360 HydrophobicContact CE3-CE2 3.77Å; W356-Y360 HydrophobicContact CZ3-CE2 4.38Å; W356-Y360 PolarHBondContact O-N 2.87Å; W356-V364 HydrophobicContact CB-CG2 4.29Å
357R98.5Very high98.7Very high112 Ų11248.1 Ų48.142%0.42322%0.224SC..THydrogen-bonded Turntrans-60.8-32.3-175-166.9173.3-178.7-93.51.3113.4K354 K359 K361 V364 D365K354-R357 VanDerWaalsContact O-CB 3.26Å; K354-R357 WeakPolarHBondContact O-CB 3.29Å; K354-R357 PolarHBondContact O-N 3.1Å; K354-R357 VanDerWaalsContact O-N 3.09Å; R357-K359 PolarHBondContact O-N 3.04Å; R357-K361 VanDerWaalsContact O-CA 3.29Å; R357-K361 WeakPolarHBondContact O-CA 3.5Å; R357-K361 WeakPolarHBondContact O-CB 3.22Å; R357-K361 PolarHBondContact O-N 3.49Å; R357-V364 HydrophobicContact CB-CB 4.27Å; R357-V364 HydrophobicContact CB-CG1 3.88Å; R357-V364 HydrophobicContact CB-CG2 4.41Å; R357-V364 HydrophobicContact CG-CB 4.26Å; R357-V364 HydrophobicContact CG-CG1 3.97Å; R357-D365 IonicContact CZ-OD1 2.72Å; R357-D365 IonicContact CZ-OD2 2.9Å; R357-D365 IonicContact NE-OD1 2.68Å; R357-D365 PolarHBondContact NE-OD1 3.07Å; R357-D365 IonicContact NE-OD2 3.29Å; R357-D365 IonicContact NH2-OD1 3.86Å; R357-D365 PolarHBondContact NH2-OD1 2.69Å; R357-D365 IonicContact NH2-OD2 3.59Å; R357-D365 PolarHBondContact NH2-OD2 2.88Å; R357-D365 VanDerWaalsContact NH2-OD2 3.15Å
358H98.3Very high98.7Very high161 Ų16148.5 Ų48.575%0.74523%0.226SC*.THydrogen-bonded Turntrans-63.3-24.8177.567.5-84.1000112.8L355 W356L355-H358 PolarHBondContact O-CE1 2.96Å; L355-H358 PolarHBondContact O-ND1 3.08Å; W356-H358 PolarHBondContact O-N 3.16Å
359K98.3Very high98.7Very high126 Ų12650.2 Ų50.255%0.54823%0.234SC..THydrogen-bonded Turntrans-105.9-37-177.9-163.6177177.8-176.70113.2W356 R357W356-K359 PolarHBondContact O-N 2.81Å; R357-K359 PolarHBondContact O-N 3.04Å
360Y98.5Very high98.6Very high48 Ų4853.6 Ų53.619%0.18825%0.25CS..  trans-12850.8-173.8-48.3-52.4000111.8L317 P318 W356 D362 S363 V364L317-Y360 HydrophobicContact CD2-CD2 4.05Å; L317-Y360 HydrophobicContact CG-CD2 4.19Å; P318-Y360 HydrophobicContact CB-CD1 4Å; P318-Y360 HydrophobicContact CB-CE1 3.68Å; P318-Y360 HydrophobicContact CB-CE2 4.43Å; P318-Y360 HydrophobicContact CG-CD1 4.4Å; P318-Y360 HydrophobicContact CG-CD2 4.35Å; P318-Y360 HydrophobicContact CG-CE1 3.86Å; P318-Y360 HydrophobicContact CG-CE2 3.8Å; W356-Y360 HydrophobicContact CB-CD2 4.11Å; W356-Y360 HydrophobicContact CE3-CD2 4.3Å; W356-Y360 AromaticContact CE3-CE2 3.77Å; W356-Y360 HydrophobicContact CE3-CE2 3.77Å; W356-Y360 HydrophobicContact CZ3-CE2 4.38Å; W356-Y360 PolarHBondContact O-N 2.87Å; Y360-D362 PolarHBondContact O-N 2.87Å; Y360-S363 PolarHBondContact O-N 3.3Å; Y360-V364 WeakPolarHBondContact O-CG2 2.96Å; Y360-V364 PolarHBondContact O-N 2.9Å
361K98.7Very high98.6Very high100 Ų10054 Ų5444%0.43525%0.253SS..Hα-helixtrans-46.6-53.5-171.8174.1173.3154.147.20113.5R357 S363 V364 D365R357-K361 VanDerWaalsContact O-CA 3.29Å; R357-K361 WeakPolarHBondContact O-CA 3.5Å; R357-K361 WeakPolarHBondContact O-CB 3.22Å; R357-K361 PolarHBondContact O-N 3.49Å; K361-S363 PolarHBondContact O-N 2.75Å; K361-V364 PolarHBondContact O-N 3.1Å; K361-D365 IonicContact NZ-OD2 2.61Å; K361-D365 PolarHBondContact NZ-OD2 3.03Å; K361-D365 WeakPolarHBondContact O-CB 3.45Å; K361-D365 PolarHBondContact O-N 3.06Å
362D98.8Very high98.6Very high108 Ų10852.5 Ų52.558%0.57825%0.246SC*.Hα-helixtrans-68.5-38.3-174.3-61.9-25.3000112.1A321 Y360 A366A321-D362 HydrophobicContact CB-CB 3.99Å; Y360-D362 PolarHBondContact O-N 2.87Å; D362-A366 WeakPolarHBondContact O-CB 3.18Å; D362-A366 PolarHBondContact O-N 3.12Å
363S98.9Very high98.7Very high5 Ų552.4 Ų52.44%0.03525%0.245CC..Hα-helixtrans-65.9-39.8174.7-71.70000112.5L317 Y320 A321 Y360 K361 F367L317-S363 WeakPolarHBondContact O-CB 3.39Å; L317-S363 PolarHBondContact O-OG 2.76Å; Y320-S363 WeakPolarHBondContact CD1-O 3.16Å; Y320-S363 PolarHBondContact N-OG 3.42Å; A321-S363 PolarHBondContact N-OG 2.7Å; Y360-S363 PolarHBondContact O-N 3.3Å; K361-S363 PolarHBondContact O-N 2.75Å; S363-F367 WeakPolarHBondContact O-CB 3.37Å; S363-F367 PolarHBondContact O-N 2.77Å
364V98.9Very high98.6Very high0 Ų056.6 Ų56.60%026%0.261CS..Hα-helixtrans-67.4-47.9175.8169.90000110.7L317 V353 K354 W356 R357 Y360 K361 A366 F367 V368L317-V364 HydrophobicContact CD1-CG2 4.33Å; L317-V364 HydrophobicContact CD2-CG2 4.13Å; V353-V364 HydrophobicContact CG1-CB 4.3Å; V353-V364 HydrophobicContact CG1-CG1 4.17Å; V353-V364 HydrophobicContact CG1-CG2 3.87Å; V353-V364 WeakPolarHBondContact O-CG2 3.08Å; K354-V364 HydrophobicContact CG-CG1 4.43Å; W356-V364 HydrophobicContact CB-CG2 4.29Å; R357-V364 HydrophobicContact CB-CB 4.27Å; R357-V364 HydrophobicContact CB-CG1 3.88Å; R357-V364 HydrophobicContact CB-CG2 4.41Å; R357-V364 HydrophobicContact CG-CB 4.26Å; R357-V364 HydrophobicContact CG-CG1 3.97Å; Y360-V364 WeakPolarHBondContact O-CG2 2.96Å; Y360-V364 PolarHBondContact O-N 2.9Å; K361-V364 PolarHBondContact O-N 3.1Å; V364-A366 VanDerWaalsContact C-N 3.31Å; V364-A366 PolarHBondContact O-N 3.13Å; V364-F367 PolarHBondContact O-N 2.84Å; V364-V368 HydrophobicContact CG1-CG2 4.37Å; V364-V368 VanDerWaalsContact O-CG2 3.31Å; V364-V368 WeakPolarHBondContact O-CG2 3.49Å; V364-V368 PolarHBondContact O-N 3.26Å
365D98.8Very high98.7Very high55 Ų5553 Ų5329%0.29425%0.246SC..Hα-helixtrans-63.2-38.8179.8-71.9-11.1000110.8R357 K361 V368 E369R357-D365 IonicContact CZ-OD1 2.72Å; R357-D365 IonicContact CZ-OD2 2.9Å; R357-D365 IonicContact NE-OD1 2.68Å; R357-D365 PolarHBondContact NE-OD1 3.07Å; R357-D365 IonicContact NE-OD2 3.29Å; R357-D365 IonicContact NH2-OD1 3.86Å; R357-D365 PolarHBondContact NH2-OD1 2.69Å; R357-D365 IonicContact NH2-OD2 3.59Å; R357-D365 PolarHBondContact NH2-OD2 2.88Å; R357-D365 VanDerWaalsContact NH2-OD2 3.15Å; K361-D365 IonicContact NZ-OD2 2.61Å; K361-D365 PolarHBondContact NZ-OD2 3.03Å; K361-D365 WeakPolarHBondContact O-CB 3.45Å; K361-D365 PolarHBondContact O-N 3.06Å; D365-V368 PolarHBondContact O-N 3.41Å; D365-E369 PolarHBondContact O-N 3.2Å
366A98.8Very high98.7Very high23 Ų2348.7 Ų48.719%0.1922%0.223CC..Hα-helixtrans-65-41.6173.100000112.6Y320 D362 V364 E369 E370Y320-A366 HydrophobicContact CD1-CB 4.13Å; Y320-A366 HydrophobicContact CE1-CB 3.88Å; D362-A366 WeakPolarHBondContact O-CB 3.18Å; D362-A366 PolarHBondContact O-N 3.12Å; V364-A366 VanDerWaalsContact C-N 3.31Å; V364-A366 PolarHBondContact O-N 3.13Å; A366-E369 PolarHBondContact O-N 3.38Å; A366-E370 WeakPolarHBondContact O-CG 2.93Å; A366-E370 PolarHBondContact O-N 3.4Å
367F98.9Very high98.7Very high4 Ų446.3 Ų46.32%0.01821%0.214CC..Hα-helixtrans-64.2-42.5176177.8-92.4000111.3F312 Y320 L335 A349 I350 V353 S363 V364 E370 A371F312-F367 HydrophobicContact CD1-CD2 4.49Å; F312-F367 HydrophobicContact CD1-CE2 4.34Å; F312-F367 AromaticContact CE1-CD2 3.47Å; F312-F367 HydrophobicContact CE1-CD2 3.47Å; F312-F367 VanDerWaalsContact CE1-CD2 3.47Å; F312-F367 AromaticContact CE1-CE2 3.72Å; F312-F367 HydrophobicContact CE1-CE2 3.72Å; F312-F367 HydrophobicContact CE1-CG 4.12Å; F312-F367 AromaticContact CZ-CD2 3.8Å; F312-F367 HydrophobicContact CZ-CD2 3.8Å; F312-F367 HydrophobicContact CZ-CE2 4.37Å; F312-F367 HydrophobicContact CZ-CG 4.48Å; Y320-F367 HydrophobicContact CD1-CB 4.4Å; Y320-F367 HydrophobicContact CE1-CB 4.1Å; L335-F367 HydrophobicContact CD1-CE2 4.2Å; L335-F367 HydrophobicContact CD1-CZ 4.15Å; A349-F367 HydrophobicContact CB-CE1 4.44Å; A349-F367 HydrophobicContact CB-CZ 4.1Å; I350-F367 HydrophobicContact CG1-CE1 4.26Å; V353-F367 HydrophobicContact CB-CD1 3.87Å; V353-F367 HydrophobicContact CB-CE1 4.03Å; V353-F367 HydrophobicContact CG1-CB 4.15Å; V353-F367 HydrophobicContact CG1-CD1 3.65Å; V353-F367 HydrophobicContact CG1-CE1 4.32Å; V353-F367 HydrophobicContact CG1-CG 4.01Å; V353-F367 HydrophobicContact CG2-CD1 3.9Å; V353-F367 HydrophobicContact CG2-CE1 3.75Å; V353-F367 HydrophobicContact CG2-CG 4.41Å; V353-F367 HydrophobicContact CG2-CZ 4.13Å; S363-F367 WeakPolarHBondContact O-CB 3.37Å; S363-F367 PolarHBondContact O-N 2.77Å; V364-F367 PolarHBondContact O-N 2.84Å; F367-E370 PolarHBondContact O-N 3.02Å; F367-A371 HydrophobicContact CD1-CB 4.22Å; F367-A371 HydrophobicContact CE1-CB 3.79Å; F367-A371 HydrophobicContact CE2-CB 4.34Å; F367-A371 HydrophobicContact CZ-CB 3.86Å; F367-A371 VanDerWaalsContact O-CB 3.3Å; F367-A371 WeakPolarHBondContact O-CB 3.27Å; F367-A371 PolarHBondContact O-N 2.9Å
368V98.8Very high98.7Very high12 Ų1241.3 Ų41.37%0.07320%0.196CC..Hα-helixtrans-63.2-43.71771720000110.9I350 K354 V364 D365 E370 F372 I373I350-V368 HydrophobicContact CG2-CG2 4.28Å; K354-V368 HydrophobicContact CG-CG2 4.24Å; V364-V368 HydrophobicContact CG1-CG2 4.37Å; V364-V368 VanDerWaalsContact O-CG2 3.31Å; V364-V368 WeakPolarHBondContact O-CG2 3.49Å; V364-V368 PolarHBondContact O-N 3.26Å; D365-V368 PolarHBondContact O-N 3.41Å; V368-E370 VanDerWaalsContact C-N 3.29Å; V368-E370 PolarHBondContact O-N 2.83Å; V368-F372 HydrophobicContact CG1-CB 4.19Å; V368-F372 HydrophobicContact CG1-CD1 4.23Å; V368-F372 WeakPolarHBondContact O-CA 3.46Å; V368-F372 WeakPolarHBondContact O-CB 3.49Å; V368-F372 PolarHBondContact O-N 2.83Å; V368-I373 PolarHBondContact O-N 3.49Å
369E98.7Very high98.7Very high38 Ų3833.6 Ų33.618%0.17816%0.16CC..Iπ-helixtrans-55.6-45.1175.7174.368.5-169.900111.2R246 D365 A366 I373 R374R246-E369 IonicContact CZ-OE1 3.16Å; R246-E369 IonicContact CZ-OE2 2.7Å; R246-E369 IonicContact NE-OE1 3Å; R246-E369 IonicContact NE-OE2 3.36Å; R246-E369 PolarHBondContact NE-OE2 3.04Å; R246-E369 IonicContact NH2-OE1 2.76Å; R246-E369 PolarHBondContact NH2-OE1 2.7Å; R246-E369 IonicContact NH2-OE2 3.15Å; R246-E369 PolarHBondContact NH2-OE2 3.34Å; D365-E369 PolarHBondContact O-N 3.2Å; A366-E369 PolarHBondContact O-N 3.38Å; E369-I373 WeakPolarHBondContact O-CA 3.48Å; E369-I373 VanDerWaalsContact O-CB 3.31Å; E369-I373 WeakPolarHBondContact O-CB 3.43Å; E369-I373 PolarHBondContact O-N 3.46Å; E369-I373 VanDerWaalsContact O-N 3.12Å; E369-R374 HydrophobicContact CG-CG 4.48Å; E369-R374 WeakPolarHBondContact O-CG 3.29Å; E369-R374 PolarHBondContact O-N 2.8Å; E369-R374 IonicContact OE1-CZ 2.68Å; E369-R374 IonicContact OE1-NE 3.93Å; E369-R374 PolarHBondContact OE1-NE 3.18Å; E369-R374 IonicContact OE1-NH2 2.74Å; E369-R374 PolarHBondContact OE1-NH2 3.09Å; E369-R374 VanDerWaalsContact OE1-NH2 3.16Å
370E98.5Very high98.7Very high71 Ų7127.7 Ų27.733%0.33214%0.135SC..Iπ-helixtrans-74.9-50.9-179.2-60.6-62.6160.400113R324 A366 F367 V368 F372 R375R324-E370 IonicContact CZ-OE1 2.64Å; R324-E370 IonicContact NH1-OE1 3.86Å; R324-E370 VanDerWaalsContact NH2-CG 3.3Å; R324-E370 IonicContact NH2-OE1 3.36Å; R324-E370 PolarHBondContact NH2-OE1 3.47Å; R324-E370 IonicContact NH2-OE2 3.1Å; A366-E370 WeakPolarHBondContact O-CG 2.93Å; A366-E370 PolarHBondContact O-N 3.4Å; F367-E370 PolarHBondContact O-N 3.02Å; V368-E370 VanDerWaalsContact C-N 3.29Å; V368-E370 PolarHBondContact O-N 2.83Å; E370-F372 PolarHBondContact O-N 2.89Å; E370-R375 PolarHBondContact O-N 2.79Å; E370-R375 VanDerWaalsContact O-N 3.13Å
371A98.6Very high98.8Very high8 Ų825.5 Ų25.57%0.06613%0.126CC..Iπ-helixtrans-77.5-20.9-172.600000113.9I350 F367 R375I350-A371 HydrophobicContact CD1-CB 4.45Å; I350-A371 HydrophobicContact CG1-CB 4.13Å; F367-A371 HydrophobicContact CD1-CB 4.22Å; F367-A371 HydrophobicContact CE1-CB 3.79Å; F367-A371 HydrophobicContact CE2-CB 4.34Å; F367-A371 HydrophobicContact CZ-CB 3.86Å; F367-A371 VanDerWaalsContact O-CB 3.3Å; F367-A371 WeakPolarHBondContact O-CB 3.27Å; F367-A371 PolarHBondContact O-N 2.9Å; A371-R375 WeakPolarHBondContact O-CB 3.22Å; A371-R375 WeakPolarHBondContact O-CD 3.13Å; A371-R375 PolarHBondContact O-NE 3.35Å
372F98.8Very high98.7Very high1 Ų120.9 Ų20.90%0.00411%0.106CC..Iπ-helixtrans-109.1-63.3178.2-175.2-145.5000111.1V228 V229 L249 A253 M257 I350 V368 E370 E376V228-F372 HydrophobicContact CB-CD2 4.1Å; V228-F372 HydrophobicContact CB-CE2 3.72Å; V228-F372 HydrophobicContact CG1-CE2 4.14Å; V228-F372 HydrophobicContact CG2-CD2 4.07Å; V228-F372 HydrophobicContact CG2-CE2 4.2Å; V229-F372 HydrophobicContact CG2-CE2 4.22Å; V229-F372 HydrophobicContact CG2-CZ 4.14Å; L249-F372 HydrophobicContact CB-CE1 4.04Å; L249-F372 HydrophobicContact CB-CE2 4.21Å; L249-F372 HydrophobicContact CB-CZ 3.61Å; L249-F372 HydrophobicContact CD1-CE2 4.41Å; L249-F372 HydrophobicContact CD2-CE2 4.34Å; L249-F372 HydrophobicContact CD2-CZ 4.47Å; L249-F372 HydrophobicContact CG-CZ 4.4Å; A253-F372 HydrophobicContact CB-CE1 4.11Å; A253-F372 HydrophobicContact CB-CZ 3.67Å; M257-F372 HydrophobicContact CE-CD1 4.46Å; M257-F372 HydrophobicContact CE-CE1 4.4Å; I350-F372 HydrophobicContact CD1-CB 3.73Å; I350-F372 HydrophobicContact CD1-CD2 4.5Å; I350-F372 HydrophobicContact CD1-CG 4.3Å; V368-F372 HydrophobicContact CG1-CB 4.19Å; V368-F372 HydrophobicContact CG1-CD1 4.23Å; V368-F372 WeakPolarHBondContact O-CA 3.46Å; V368-F372 WeakPolarHBondContact O-CB 3.49Å; V368-F372 PolarHBondContact O-N 2.83Å; E370-F372 PolarHBondContact O-N 2.89Å; F372-E376 HydrophobicContact CD2-CG 4.28Å; F372-E376 VanDerWaalsContact CD2-OE1 3.31Å; F372-E376 WeakPolarHBondContact CD2-OE1 3.4Å; F372-E376 WeakPolarHBondContact CE2-OE1 3.36Å; F372-E376 WeakPolarHBondContact CE2-OE2 3.29Å; F372-E376 WeakPolarHBondContact O-CB 3.21Å; F372-E376 VanDerWaalsContact O-CG 3.29Å; F372-E376 WeakPolarHBondContact O-CG 3.36Å; F372-E376 PolarHBondContact O-N 3.34Å; F372-E376 VanDerWaalsContact O-N 3.07Å
373I98.9Very high98.7Very high0 Ų018.9 Ų18.90%09%0.091CC..Iπ-helixtrans-72.9-51.6-169.2-52-55.2000111.6A242 I245 R246 L249 V368 E369 L377A242-I373 HydrophobicContact CB-CG2 4.12Å; I245-I373 HydrophobicContact CG2-CG2 4.31Å; R246-I373 HydrophobicContact CB-CD1 4.37Å; R246-I373 HydrophobicContact CB-CG2 3.9Å; R246-I373 HydrophobicContact CG-CD1 3.98Å; R246-I373 HydrophobicContact CG-CG1 4.18Å; R246-I373 HydrophobicContact CG-CG2 4.28Å; L249-I373 HydrophobicContact CB-CD1 4.1Å; L249-I373 HydrophobicContact CD1-CD1 3.86Å; V368-I373 PolarHBondContact O-N 3.49Å; E369-I373 WeakPolarHBondContact O-CA 3.48Å; E369-I373 VanDerWaalsContact O-CB 3.31Å; E369-I373 WeakPolarHBondContact O-CB 3.43Å; E369-I373 PolarHBondContact O-N 3.46Å; E369-I373 VanDerWaalsContact O-N 3.12Å; I373-L377 WeakPolarHBondContact O-CB 3.41Å; I373-L377 PolarHBondContact O-N 3.1Å; I373-L377 VanDerWaalsContact O-N 3.08Å
374R98.6Very high98.6Very high89 Ų8921.8 Ų21.834%0.33610%0.102SC..Iπ-helixtrans-69.4-41.5-178.6-59.8-64172151.54.7111.5A242 E369 L377 S378A242-R374 VanDerWaalsContact CB-CZ 3.47Å; E369-R374 HydrophobicContact CG-CG 4.48Å; E369-R374 WeakPolarHBondContact O-CG 3.29Å; E369-R374 PolarHBondContact O-N 2.8Å; E369-R374 IonicContact OE1-CZ 2.68Å; E369-R374 IonicContact OE1-NE 3.93Å; E369-R374 PolarHBondContact OE1-NE 3.18Å; E369-R374 IonicContact OE1-NH2 2.74Å; E369-R374 PolarHBondContact OE1-NH2 3.09Å; E369-R374 VanDerWaalsContact OE1-NH2 3.16Å; R374-L377 PolarHBondContact O-N 3.27Å; R374-S378 PolarHBondContact O-N 3.15Å; R374-S378 PolarHBondContact O-OG 3.23Å; R374-S378 VanDerWaalsContact O-OG 3.06Å
375R98.6Very high98.5Very high5 Ų522.5 Ų22.52%0.01911%0.106CC..Hα-helixtrans-59.9-51.3177.1-168.8-170.368.2103.22.8113.1H226 N227 P346 E370 A371 L377 S378 D379 N484H226-R375 PolarHBondContact CD2-NH1 3Å; H226-R375 PolarHBondContact NE2-NH1 3.42Å; H226-R375 PolarHBondContact O-NH1 3.21Å; H226-R375 PolarHBondContact O-NH2 3.24Å; N227-R375 PolarHBondContact OD1-NH1 3.21Å; N227-R375 PolarHBondContact OD1-NH2 3.26Å; P346-R375 VanDerWaalsContact CB-CZ 3.49Å; E370-R375 PolarHBondContact O-N 2.79Å; E370-R375 VanDerWaalsContact O-N 3.13Å; A371-R375 WeakPolarHBondContact O-CB 3.22Å; A371-R375 WeakPolarHBondContact O-CD 3.13Å; A371-R375 PolarHBondContact O-NE 3.35Å; R375-L377 VanDerWaalsContact C-N 3.31Å; R375-L377 PolarHBondContact O-N 2.99Å; R375-S378 WeakPolarHBondContact O-CB 3.34Å; R375-S378 PolarHBondContact O-N 3.44Å; R375-S378 VanDerWaalsContact O-N 3.08Å; R375-D379 PolarHBondContact O-N 3.21Å; R375-D379 VanDerWaalsContact O-N 3.16Å; R375-N484 WeakPolarHBondContact CA-OD1 3.47Å; R375-N484 WeakPolarHBondContact CG-ND2 3.33Å
376E98.8Very high98.1Very high5 Ų523.9 Ų23.92%0.02312%0.117CC..Hα-helixtrans-74.2-24.9-177.7-63.2-169.2-169.600112.3N227 V228 V229 L249 F372 S378 D379 N380N227-E376 HydrophobicContact CB-CG 4.19Å; N227-E376 WeakPolarHBondContact OD1-CG 3.44Å; V228-E376 WeakPolarHBondContact CB-OE1 3.37Å; V228-E376 PolarHBondContact N-OE1 3.28Å; V229-E376 PolarHBondContact N-OE2 3.49Å; L249-E376 HydrophobicContact CD1-CB 4.03Å; L249-E376 HydrophobicContact CD2-CB 4.4Å; L249-E376 VanDerWaalsContact CD2-OE2 3.31Å; L249-E376 WeakPolarHBondContact CD2-OE2 3.29Å; F372-E376 HydrophobicContact CD2-CG 4.28Å; F372-E376 VanDerWaalsContact CD2-OE1 3.31Å; F372-E376 WeakPolarHBondContact CD2-OE1 3.4Å; F372-E376 WeakPolarHBondContact CE2-OE1 3.36Å; F372-E376 WeakPolarHBondContact CE2-OE2 3.29Å; F372-E376 WeakPolarHBondContact O-CB 3.21Å; F372-E376 VanDerWaalsContact O-CG 3.29Å; F372-E376 WeakPolarHBondContact O-CG 3.36Å; F372-E376 PolarHBondContact O-N 3.34Å; F372-E376 VanDerWaalsContact O-N 3.07Å; E376-S378 VanDerWaalsContact C-N 3.3Å; E376-D379 PolarHBondContact O-N 3.18Å; E376-N380 WeakPolarHBondContact O-CB 3.16Å; E376-N380 PolarHBondContact O-N 2.89Å
377L98.9Very high98Very high2 Ų227 Ų271%0.0113%0.127CC..Hα-helixtrans-63.3-37.8166.4-179.164000111.6E239 A242 I245 I373 R374 R375 N380 F381 H497E239-L377 HydrophobicContact CB-CD1 3.7Å; A242-L377 HydrophobicContact CB-CD2 4.06Å; I245-L377 HydrophobicContact CB-CD1 4.33Å; I245-L377 HydrophobicContact CD1-CD1 4.31Å; I245-L377 HydrophobicContact CG2-CB 4.15Å; I245-L377 HydrophobicContact CG2-CD1 3.98Å; I373-L377 WeakPolarHBondContact O-CB 3.41Å; I373-L377 PolarHBondContact O-N 3.1Å; I373-L377 VanDerWaalsContact O-N 3.08Å; R374-L377 PolarHBondContact O-N 3.27Å; R375-L377 VanDerWaalsContact C-N 3.31Å; R375-L377 PolarHBondContact O-N 2.99Å; L377-N380 PolarHBondContact O-N 3.45Å; L377-F381 WeakPolarHBondContact O-CB 3.47Å; L377-F381 PolarHBondContact O-N 3.15Å; L377-H497 HydrophobicContact CD2-CB 4.13Å
378S98.8Very high97.8Very high6 Ų626.9 Ų26.94%0.04213%0.126CC..Hα-helixtrans-66.4-43.6176.4-56.10000112.3R374 R375 E376 N380 F381 C382 N484R374-S378 PolarHBondContact O-N 3.15Å; R374-S378 PolarHBondContact O-OG 3.23Å; R374-S378 VanDerWaalsContact O-OG 3.06Å; R375-S378 WeakPolarHBondContact O-CB 3.34Å; R375-S378 PolarHBondContact O-N 3.44Å; R375-S378 VanDerWaalsContact O-N 3.08Å; E376-S378 VanDerWaalsContact C-N 3.3Å; S378-N380 VanDerWaalsContact C-N 3.35Å; S378-F381 PolarHBondContact O-N 2.59Å; S378-C382 PolarHBondContact O-N 2.64Å; S378-N484 VanDerWaalsContact CB-OD1 3.27Å; S378-N484 WeakPolarHBondContact CB-OD1 3.13Å; S378-N484 PolarHBondContact OG-OD1 3.11Å
379D98.8Very high97.6Very high0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-62.2-41.4173.9-87.725.7000111.3R77 P199 H226 N227 R375 E376 F381 Y383 P483R77-D379 IonicContact CZ-OD1 3.54Å; R77-D379 IonicContact CZ-OD2 3.49Å; R77-D379 IonicContact NH1-OD1 3.5Å; R77-D379 PolarHBondContact NH1-OD1 2.99Å; R77-D379 IonicContact NH1-OD2 2.7Å; R77-D379 PolarHBondContact NH1-OD2 3.22Å; R77-D379 IonicContact NH2-OD1 2.69Å; R77-D379 PolarHBondContact NH2-OD1 3.36Å; R77-D379 IonicContact NH2-OD2 3.42Å; P199-D379 HydrophobicContact CG-CB 4.14Å; H226-D379 IonicContact CD2-OD2 3.35Å; N227-D379 PolarHBondContact ND2-OD2 3.49Å; N227-D379 PolarHBondContact OD1-OD2 2.9Å; R375-D379 PolarHBondContact O-N 3.21Å; R375-D379 VanDerWaalsContact O-N 3.16Å; E376-D379 PolarHBondContact O-N 3.18Å; D379-F381 VanDerWaalsContact C-N 3.35Å; D379-F381 PolarHBondContact O-N 2.81Å; D379-Y383 WeakPolarHBondContact O-CB 3.49Å; D379-Y383 PolarHBondContact O-N 2.76Å; D379-P483 WeakPolarHBondContact OD1-CB 3.42Å; D379-P483 WeakPolarHBondContact OD1-CG 3.17Å
380N98.7Very high97.5Very high1 Ų126 Ų261%0.00512%0.123CC..Hα-helixtrans-58.5-44.7172.9173.3-90.3000111.9V231 H237 E239 I245 E376 L377 S378 Y383 Y384V231-N380 HydrophobicContact CG2-CB 4.31Å; H237-N380 PolarHBondContact O-ND2 3.07Å; E239-N380 WeakPolarHBondContact CB-OD1 3.27Å; E239-N380 PolarHBondContact N-OD1 3.39Å; I245-N380 HydrophobicContact CD1-CB 3.97Å; E376-N380 WeakPolarHBondContact O-CB 3.16Å; E376-N380 PolarHBondContact O-N 2.89Å; L377-N380 PolarHBondContact O-N 3.45Å; S378-N380 VanDerWaalsContact C-N 3.35Å; N380-Y383 PolarHBondContact O-N 3.4Å; N380-Y384 VanDerWaalsContact ND2-CD2 3.31Å; N380-Y384 WeakPolarHBondContact ND2-CD2 3.34Å; N380-Y384 VanDerWaalsContact ND2-CE2 3.32Å; N380-Y384 WeakPolarHBondContact ND2-CE2 3.35Å; N380-Y384 WeakPolarHBondContact O-CD2 3.17Å; N380-Y384 PolarHBondContact O-N 2.86Å; N380-Y384 VanDerWaalsContact O-N 3.07Å
381F98.7Very high97.4Very high2 Ų223.7 Ų23.71%0.00911%0.113CC..Hα-helixtrans-61.2-53.4179.3-178.1-97.4000111.5L238 L377 S378 D379 Y383 Y384 N385 V487 M490 V496 H497L238-F381 HydrophobicContact CD1-CB 4.34Å; L238-F381 HydrophobicContact CD1-CD2 3.77Å; L238-F381 HydrophobicContact CD1-CE2 4.5Å; L238-F381 HydrophobicContact CD1-CG 4.36Å; L377-F381 WeakPolarHBondContact O-CB 3.47Å; L377-F381 PolarHBondContact O-N 3.15Å; S378-F381 PolarHBondContact O-N 2.59Å; D379-F381 VanDerWaalsContact C-N 3.35Å; D379-F381 PolarHBondContact O-N 2.81Å; F381-Y383 VanDerWaalsContact C-N 3.28Å; F381-Y383 PolarHBondContact O-N 3.12Å; F381-Y384 PolarHBondContact O-N 2.91Å; F381-N385 WeakPolarHBondContact CE2-ND2 3.43Å; F381-N385 WeakPolarHBondContact CZ-ND2 3.49Å; F381-N385 WeakPolarHBondContact O-CB 3.29Å; F381-N385 PolarHBondContact O-N 3.48Å; F381-V487 HydrophobicContact CB-CG2 3.9Å; F381-V487 HydrophobicContact CD1-CG2 3.42Å; F381-V487 VanDerWaalsContact CD1-CG2 3.42Å; F381-V487 HydrophobicContact CE1-CG2 4.2Å; F381-V487 HydrophobicContact CG-CG2 3.88Å; F381-M490 HydrophobicContact CE1-CG 4.46Å; F381-V496 HydrophobicContact CD2-CG1 3.67Å; F381-V496 HydrophobicContact CE1-CG1 4.35Å; F381-V496 HydrophobicContact CE2-CB 4.34Å; F381-V496 HydrophobicContact CE2-CG1 3.42Å; F381-V496 VanDerWaalsContact CE2-CG1 3.42Å; F381-V496 HydrophobicContact CE2-CG2 3.91Å; F381-V496 HydrophobicContact CG-CG1 4.29Å; F381-V496 HydrophobicContact CZ-CB 4.43Å; F381-V496 HydrophobicContact CZ-CG1 3.79Å; F381-V496 HydrophobicContact CZ-CG2 3.78Å; F381-H497 AromaticContact CD2-NE2 3.7Å
382C98Very high97.3Very high3 Ų328.4 Ų28.42%0.0213%0.134CC..Hα-helixtrans-63.9-33.5179.4-71.20000112.7P199 L200 S378 Y388 P483P199-C382 HydrophobicContact CB-CB 3.95Å; P199-C382 HydrophobicContact CG-CB 4.24Å; L200-C382 HydrophobicContact CD2-CB 4.25Å; S378-C382 PolarHBondContact O-N 2.64Å; C382-Y388 HydrophobicContact CB-CD1 3.94Å; C382-Y388 HydrophobicContact CB-CE1 4.43Å; C382-Y388 HydrophobicContact CB-CG 4.22Å; C382-P483 HydrophobicContact CB-CB 4.26Å; C382-P483 HydrophobicContact CB-CG 4.32Å
383Y97.8Very high97.1Very high67 Ų6728.6 Ų28.626%0.26314%0.136SC..Hα-helixtrans-68-46.8179.6-178.6-107.7000113.1R39 F197 V231 D379 N380 F381R39-Y383 PolarHBondContact NH1-OH 3.01Å; F197-Y383 AromaticContact CE2-CD2 3.59Å; F197-Y383 HydrophobicContact CE2-CD2 3.59Å; F197-Y383 AromaticContact CE2-CE2 3.99Å; F197-Y383 HydrophobicContact CE2-CE2 3.99Å; F197-Y383 AromaticContact CZ-CD2 3.74Å; F197-Y383 HydrophobicContact CZ-CD2 3.74Å; F197-Y383 HydrophobicContact CZ-CE2 4.47Å; F197-Y383 HydrophobicContact CZ-CG 4.24Å; V231-Y383 HydrophobicContact CG1-CD1 4.05Å; V231-Y383 HydrophobicContact CG1-CD2 4.04Å; V231-Y383 HydrophobicContact CG1-CE1 4.31Å; V231-Y383 HydrophobicContact CG1-CE2 4.29Å; V231-Y383 HydrophobicContact CG1-CG 3.91Å; V231-Y383 HydrophobicContact CG2-CD1 4.13Å; V231-Y383 HydrophobicContact CG2-CG 4.1Å; D379-Y383 WeakPolarHBondContact O-CB 3.49Å; D379-Y383 PolarHBondContact O-N 2.76Å; N380-Y383 PolarHBondContact O-N 3.4Å; F381-Y383 VanDerWaalsContact C-N 3.28Å; F381-Y383 PolarHBondContact O-N 3.12Å
384Y98Very high97.1Very high65 Ų6528.9 Ų28.926%0.25514%0.139SC..Hα-helixtrans-90.4-10-176-73.2-69.2000114S235 D236 H237 N380 F381S235-Y384 PolarHBondContact O-OH 3.45Å; D236-Y384 WeakPolarHBondContact CA-OH 3.21Å; H237-Y384 VanDerWaalsContact C-CD2 3.43Å; H237-Y384 WeakPolarHBondContact O-CD2 3.37Å; H237-Y384 WeakPolarHBondContact O-CE2 3.43Å; N380-Y384 VanDerWaalsContact ND2-CD2 3.31Å; N380-Y384 WeakPolarHBondContact ND2-CD2 3.34Å; N380-Y384 VanDerWaalsContact ND2-CE2 3.32Å; N380-Y384 WeakPolarHBondContact ND2-CE2 3.35Å; N380-Y384 WeakPolarHBondContact O-CD2 3.17Å; N380-Y384 PolarHBondContact O-N 2.86Å; N380-Y384 VanDerWaalsContact O-N 3.07Å; F381-Y384 PolarHBondContact O-N 2.91Å
385N95.7Very high97Very high16 Ų1628.5 Ų28.59%0.08614%0.137CC..  trans-122.796.7-177.1-172-4.2000111.3L238 F381 K387 Y388 G393L238-N385 HydrophobicContact CD1-CB 4.27Å; L238-N385 HydrophobicContact CD2-CB 4.37Å; F381-N385 WeakPolarHBondContact CE2-ND2 3.43Å; F381-N385 WeakPolarHBondContact CZ-ND2 3.49Å; F381-N385 WeakPolarHBondContact O-CB 3.29Å; F381-N385 PolarHBondContact O-N 3.48Å; N385-K387 PolarHBondContact O-N 3.44Å; N385-K387 WeakPolarHBondContact OD1-CA 3.35Å; N385-K387 WeakPolarHBondContact OD1-CB 3.29Å; N385-K387 PolarHBondContact OD1-N 2.59Å; N385-Y388 VanDerWaalsContact O-CB 3.3Å; N385-Y388 WeakPolarHBondContact O-CB 3.26Å; N385-Y388 WeakPolarHBondContact O-CD1 3.48Å; N385-Y388 PolarHBondContact O-N 3.08Å; N385-Y388 VanDerWaalsContact O-N 3.08Å; N385-G393 VanDerWaalsContact ND2-CA 3.34Å; N385-G393 WeakPolarHBondContact ND2-CA 3.12Å; N385-G393 PolarHBondContact ND2-O 3.15Å
386P91.5Very high97Very high83 Ų8334.4 Ų34.454%0.53916%0.163SC..THydrogen-bonded Turntrans-64.2-15.1178.827.3-35.1000113.2R201R201-P386 WeakPolarHBondContact CD-O 3.11Å; R201-P386 PolarHBondContact NH1-O 3.35Å
387K95.4Very high96.9Very high90 Ų9037 Ų3739%0.39117%0.173SC..THydrogen-bonded Turntrans-98.123.5178.3-61.5-165-177.1-177.50112.4L164 N385 D389 S390 E392 G393L164-K387 HydrophobicContact CD1-CD 4.43Å; L164-K387 HydrophobicContact CD1-CG 4.2Å; N385-K387 PolarHBondContact O-N 3.44Å; N385-K387 WeakPolarHBondContact OD1-CA 3.35Å; N385-K387 WeakPolarHBondContact OD1-CB 3.29Å; N385-K387 PolarHBondContact OD1-N 2.59Å; K387-D389 PolarHBondContact O-N 2.96Å; K387-S390 WeakPolarHBondContact CB-OG 3.42Å; K387-S390 PolarHBondContact O-N 3.41Å; K387-S390 PolarHBondContact O-OG 2.68Å; K387-E392 HydrophobicContact CD-CB 3.54Å; K387-E392 HydrophobicContact CD-CG 4.5Å; K387-G393 WeakPolarHBondContact O-CA 3.46Å
388Y95.4Very high96.9Very high1 Ų137 Ų370%0.00417%0.173CC..THydrogen-bonded Turntrans-55.4-13.3-173.158.3-113.3000115.9L200 R201 C382 N385 F486 M490L200-Y388 HydrophobicContact CD2-CE1 4.23Å; L200-Y388 HydrophobicContact CD2-CE2 4.09Å; R201-Y388 HydrophobicContact CG-CE1 3.77Å; R201-Y388 PolarHBondContact N-OH 3.31Å; R201-Y388 VanDerWaalsContact N-OH 3.08Å; C382-Y388 HydrophobicContact CB-CD1 3.94Å; C382-Y388 HydrophobicContact CB-CE1 4.43Å; C382-Y388 HydrophobicContact CB-CG 4.22Å; N385-Y388 VanDerWaalsContact O-CB 3.3Å; N385-Y388 WeakPolarHBondContact O-CB 3.26Å; N385-Y388 WeakPolarHBondContact O-CD1 3.48Å; N385-Y388 PolarHBondContact O-N 3.08Å; N385-Y388 VanDerWaalsContact O-N 3.08Å; Y388-F486 HydrophobicContact CD2-CB 4.38Å; Y388-F486 AromaticContact CD2-CD1 3.77Å; Y388-F486 HydrophobicContact CD2-CD1 3.77Å; Y388-F486 HydrophobicContact CD2-CD2 4.35Å; Y388-F486 AromaticContact CD2-CE1 3.98Å; Y388-F486 HydrophobicContact CD2-CE1 3.98Å; Y388-F486 AromaticContact CD2-CG 3.94Å; Y388-F486 HydrophobicContact CD2-CG 3.94Å; Y388-F486 HydrophobicContact CD2-CZ 4.42Å; Y388-F486 AromaticContact CE2-CD1 3.82Å; Y388-F486 HydrophobicContact CE2-CD1 3.82Å; Y388-F486 HydrophobicContact CE2-CD2 4.18Å; Y388-F486 AromaticContact CE2-CE1 3.53Å; Y388-F486 HydrophobicContact CE2-CE1 3.53Å; Y388-F486 HydrophobicContact CE2-CE2 4.02Å; Y388-F486 HydrophobicContact CE2-CG 4.11Å; Y388-F486 AromaticContact CE2-CZ 3.66Å; Y388-F486 HydrophobicContact CE2-CZ 3.66Å; Y388-M490 WeakPolarHBondContact O-CG 3.38Å
389D94.1Very high96.9Very high14 Ų1439.1 Ų39.18%0.07518%0.182CC..THydrogen-bonded Turntrans-119.521.7-176.864.5-23.1000113R162 R201 K387 L470 F486R162-D389 WeakPolarHBondContact CD-OD2 3.41Å; R201-D389 IonicContact CZ-OD1 2.89Å; R201-D389 IonicContact CZ-OD2 3.86Å; R201-D389 IonicContact NH1-OD1 3.73Å; R201-D389 PolarHBondContact NH1-OD1 3.09Å; R201-D389 IonicContact NH1-OD2 2.82Å; R201-D389 IonicContact NH2-OD1 2.8Å; R201-D389 PolarHBondContact NH2-OD1 3.07Å; R201-D389 IonicContact NH2-OD2 2.96Å; R201-D389 PolarHBondContact NH2-OD2 2.97Å; K387-D389 PolarHBondContact O-N 2.96Å; D389-L470 HydrophobicContact CB-CD1 3.82Å; D389-L470 WeakPolarHBondContact O-CD1 3.24Å; D389-F486 HydrophobicContact CB-CD1 3.67Å; D389-F486 HydrophobicContact CB-CE1 3.69Å
390S95.9Very high96.9Very high16 Ų1642 Ų4211%0.11220%0.198CC..SBendtrans-139.5158.1-178.368.20000111.2K387 E392 G393 M490K387-S390 WeakPolarHBondContact CB-OG 3.42Å; K387-S390 PolarHBondContact O-N 3.41Å; K387-S390 PolarHBondContact O-OG 2.68Å; S390-E392 VanDerWaalsContact CB-OE2 3.24Å; S390-E392 WeakPolarHBondContact CB-OE2 3.29Å; S390-E392 PolarHBondContact O-N 3.28Å; S390-E392 PolarHBondContact OG-OE2 3.25Å; S390-G393 PolarHBondContact O-N 2.89Å; S390-M490 WeakPolarHBondContact O-CE 3.33Å
391I97.8Very high96.9Very high23 Ų2342.1 Ų42.112%0.11820%0.198CC..G310 helixtrans-58.6-34.4179.2-67.9-179.5000110.5G393 A394 Q399 L402 P462 S463 L466I391-G393 PolarHBondContact O-N 3.2Å; I391-G393 VanDerWaalsContact O-N 3.15Å; I391-A394 WeakPolarHBondContact O-CB 3.5Å; I391-A394 PolarHBondContact O-N 2.95Å; I391-Q399 HydrophobicContact CG2-CB 4.44Å; I391-Q399 HydrophobicContact CG2-CG 4.25Å; I391-Q399 WeakPolarHBondContact O-CG 3.35Å; I391-L402 HydrophobicContact CD1-CD1 4.18Å; I391-L402 HydrophobicContact CG1-CD1 4.27Å; I391-L402 HydrophobicContact CG2-CD1 4.23Å; I391-P462 HydrophobicContact CD1-CB 3.89Å; I391-S463 WeakPolarHBondContact CD1-OG 3.38Å; I391-L466 HydrophobicContact CG1-CD2 4Å
392E96.4Very high96.9Very high107 Ų10742.1 Ų42.150%0.520%0.198SC..G310 helixtrans-60.8-21.6176.8-63.887.1161.400113.4K387 S390 A394 Q399K387-E392 HydrophobicContact CD-CB 3.54Å; K387-E392 HydrophobicContact CD-CG 4.5Å; S390-E392 VanDerWaalsContact CB-OE2 3.24Å; S390-E392 WeakPolarHBondContact CB-OE2 3.29Å; S390-E392 PolarHBondContact O-N 3.28Å; S390-E392 PolarHBondContact OG-OE2 3.25Å; E392-A394 VanDerWaalsContact C-N 3.34Å; E392-Q399 PolarHBondContact O-NE2 3.13Å; E392-Q399 VanDerWaalsContact O-NE2 3.1Å
393G95Very high96.9Very high5 Ų545.1 Ų45.15%0.05222%0.223CC..G310 helixtrans-81.7-9.1171.700000114.2N385 K387 S390 I391N385-G393 VanDerWaalsContact ND2-CA 3.34Å; N385-G393 WeakPolarHBondContact ND2-CA 3.12Å; N385-G393 PolarHBondContact ND2-O 3.15Å; K387-G393 WeakPolarHBondContact O-CA 3.46Å; S390-G393 PolarHBondContact O-N 2.89Å; I391-G393 PolarHBondContact O-N 3.2Å; I391-G393 VanDerWaalsContact O-N 3.15Å
394A97.8Very high96.9Very high7 Ų748 Ų486%0.05824%0.239CC..SBendtrans-76.7165.217600000111.8I391 E392 A398 Q399 M490 C494 V496I391-A394 WeakPolarHBondContact O-CB 3.5Å; I391-A394 PolarHBondContact O-N 2.95Å; E392-A394 VanDerWaalsContact C-N 3.34Å; A394-A398 HydrophobicContact CB-CB 4.07Å; A394-Q399 HydrophobicContact CB-CG 4.23Å; A394-Q399 PolarHBondContact O-NE2 3.21Å; A394-M490 HydrophobicContact CB-CE 4.39Å; A394-C494 HydrophobicContact CB-CB 3.78Å; A394-V496 HydrophobicContact CB-CG2 4.32Å
395W97.7Very high96.9Very high81 Ų8145.9 Ų45.931%0.30723%0.232SC..  trans-66.1150.3171.7-70.1108.1000111.3L238 Y240 W397 A398 Q399L238-W395 HydrophobicContact CD2-CH2 4.28Å; L238-W395 HydrophobicContact CD2-CZ2 4.2Å; L238-W395 HydrophobicContact CG-CZ2 4.42Å; Y240-W395 AromaticContact CD2-CD1 3.97Å; Y240-W395 AromaticContact CD2-CD2 3.82Å; Y240-W395 HydrophobicContact CD2-CD2 3.82Å; Y240-W395 AromaticContact CD2-CE2 3.36Å; Y240-W395 HydrophobicContact CD2-CE3 4.44Å; Y240-W395 HydrophobicContact CD2-CG 4.21Å; Y240-W395 HydrophobicContact CD2-CH2 4.31Å; Y240-W395 AromaticContact CD2-CZ2 3.67Å; Y240-W395 HydrophobicContact CD2-CZ2 3.67Å; Y240-W395 AromaticContact CD2-NE1 3.44Å; Y240-W395 AromaticContact CE2-CD1 3.61Å; Y240-W395 AromaticContact CE2-CD2 3.82Å; Y240-W395 HydrophobicContact CE2-CD2 3.82Å; Y240-W395 AromaticContact CE2-CE2 3.77Å; Y240-W395 AromaticContact CE2-CG 3.77Å; Y240-W395 HydrophobicContact CE2-CG 3.77Å; Y240-W395 HydrophobicContact CE2-CZ2 4.5Å; Y240-W395 AromaticContact CE2-NE1 3.59Å; Y240-W395 HydrophobicContact CG-CZ2 4.36Å; W395-W397 VanDerWaalsContact C-N 3.27Å; W395-W397 PolarHBondContact O-N 3.06Å; W395-W397 VanDerWaalsContact O-N 3.13Å; W395-A398 WeakPolarHBondContact O-CA 3.11Å; W395-A398 WeakPolarHBondContact O-CB 3.44Å; W395-A398 PolarHBondContact O-N 2.89Å; W395-Q399 PolarHBondContact O-N 3.33Å
396K97.9Very high97Very high129 Ų12946.3 Ų46.356%0.56124%0.237SC*.Hα-helixtrans-51.3-43-173.5-175.452.3173.8159.50113.6A398 Q399 D400K396-A398 PolarHBondContact O-N 3.34Å; K396-Q399 WeakPolarHBondContact O-CB 3.48Å; K396-Q399 PolarHBondContact O-N 2.92Å; K396-D400 WeakPolarHBondContact CD-OD1 3.34Å; K396-D400 WeakPolarHBondContact CE-OD1 3.24Å; K396-D400 WeakPolarHBondContact CE-OD2 3.38Å; K396-D400 IonicContact NZ-OD1 3.78Å; K396-D400 PolarHBondContact NZ-OD1 3.18Å; K396-D400 IonicContact NZ-OD2 2.87Å; K396-D400 WeakPolarHBondContact O-CB 3.45Å; K396-D400 PolarHBondContact O-N 2.84Å
397W97.6Very high97.2Very high60 Ų6051.1 Ų51.123%0.22725%0.252CS..Hα-helixtrans-59.3-34.9177.172-100.3000113.3Y240 W395 T401 K509 I510Y240-W397 PolarHBondContact OH-NE1 2.86Å; W395-W397 VanDerWaalsContact C-N 3.27Å; W395-W397 PolarHBondContact O-N 3.06Å; W395-W397 VanDerWaalsContact O-N 3.13Å; W397-T401 HydrophobicContact CE3-CG2 4.46Å; W397-T401 HydrophobicContact CZ3-CG2 4.46Å; W397-T401 WeakPolarHBondContact O-CB 3.23Å; W397-T401 PolarHBondContact O-N 3.35Å; W397-T401 VanDerWaalsContact O-N 3.11Å; W397-K509 HydrophobicContact CE3-CB 4.17Å; W397-K509 HydrophobicContact CZ3-CB 3.93Å; W397-I510 HydrophobicContact CH2-CD1 4.03Å; W397-I510 HydrophobicContact CZ3-CD1 3.89Å
398A98.4Very high97.4Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-78.3-37.5179.600000111.1A394 W395 K396 T401 L402 C494 I510A394-A398 HydrophobicContact CB-CB 4.07Å; W395-A398 WeakPolarHBondContact O-CA 3.11Å; W395-A398 WeakPolarHBondContact O-CB 3.44Å; W395-A398 PolarHBondContact O-N 2.89Å; K396-A398 PolarHBondContact O-N 3.34Å; A398-T401 WeakPolarHBondContact O-CG2 3.38Å; A398-L402 WeakPolarHBondContact O-CB 3.45Å; A398-L402 VanDerWaalsContact O-CG 3.23Å; A398-L402 WeakPolarHBondContact O-CG 3.36Å; A398-L402 PolarHBondContact O-N 3.42Å; A398-C494 WeakPolarHBondContact CB-O 3.15Å; A398-I510 HydrophobicContact CB-CD1 4.1Å
399Q98.6Very high97.4Very high51 Ų5158.2 Ų58.224%0.23829%0.285CS..Hα-helixtrans-58.5-49.4170.5-60.3-178.122.500110.8I391 E392 A394 W395 K396 L402 A403I391-Q399 HydrophobicContact CG2-CB 4.44Å; I391-Q399 HydrophobicContact CG2-CG 4.25Å; I391-Q399 WeakPolarHBondContact O-CG 3.35Å; E392-Q399 PolarHBondContact O-NE2 3.13Å; E392-Q399 VanDerWaalsContact O-NE2 3.1Å; A394-Q399 HydrophobicContact CB-CG 4.23Å; A394-Q399 PolarHBondContact O-NE2 3.21Å; W395-Q399 PolarHBondContact O-N 3.33Å; K396-Q399 WeakPolarHBondContact O-CB 3.48Å; K396-Q399 PolarHBondContact O-N 2.92Å; Q399-L402 PolarHBondContact O-N 2.96Å; Q399-A403 WeakPolarHBondContact O-CB 3.08Å; Q399-A403 PolarHBondContact O-N 3.22Å
400D98.7Very high97.6Very high62 Ų6258.6 Ų58.633%0.33229%0.285SS..Hα-helixtrans-64.5-45.3-176-64.7-22.5000111.5K396 A403 Q404K396-D400 WeakPolarHBondContact CD-OD1 3.34Å; K396-D400 WeakPolarHBondContact CE-OD1 3.24Å; K396-D400 WeakPolarHBondContact CE-OD2 3.38Å; K396-D400 IonicContact NZ-OD1 3.78Å; K396-D400 PolarHBondContact NZ-OD1 3.18Å; K396-D400 IonicContact NZ-OD2 2.87Å; K396-D400 WeakPolarHBondContact O-CB 3.45Å; K396-D400 PolarHBondContact O-N 2.84Å; D400-A403 PolarHBondContact O-N 3.07Å; D400-Q404 WeakPolarHBondContact O-CB 3Å; D400-Q404 VanDerWaalsContact O-CG 3.29Å; D400-Q404 WeakPolarHBondContact O-CG 3.15Å; D400-Q404 PolarHBondContact O-N 3.27Å
401T98.5Very high97.5Very high2 Ų264.8 Ų64.81%0.01232%0.318CS..Hα-helixtrans-67.8-40.7179.4-157.70000111.7W397 A398 A403 Q404 H405 G508 K509 I510W397-T401 HydrophobicContact CE3-CG2 4.46Å; W397-T401 HydrophobicContact CZ3-CG2 4.46Å; W397-T401 WeakPolarHBondContact O-CB 3.23Å; W397-T401 PolarHBondContact O-N 3.35Å; W397-T401 VanDerWaalsContact O-N 3.11Å; A398-T401 WeakPolarHBondContact O-CG2 3.38Å; T401-A403 VanDerWaalsContact C-N 3.32Å; T401-A403 PolarHBondContact O-N 3.42Å; T401-Q404 PolarHBondContact O-N 2.89Å; T401-H405 PolarHBondContact O-CD2 3.24Å; T401-H405 PolarHBondContact O-N 3.01Å; T401-H405 VanDerWaalsContact O-N 3.08Å; T401-G508 VanDerWaalsContact OG1-CA 3.28Å; T401-G508 WeakPolarHBondContact OG1-CA 3.5Å; T401-K509 HydrophobicContact CG2-CB 4.17Å; T401-K509 PolarHBondContact OG1-N 2.83Å; T401-I510 HydrophobicContact CG2-CD1 4.27Å; T401-I510 HydrophobicContact CG2-CG1 4.27Å
402L98.6Very high97.4Very high2 Ų265.3 Ų65.31%0.0132%0.322CS..Hα-helixtrans-65.6-36.5176.5-72.4176.7000112I391 A398 Q399 A406 L455 P462 C494 I510I391-L402 HydrophobicContact CD1-CD1 4.18Å; I391-L402 HydrophobicContact CG1-CD1 4.27Å; I391-L402 HydrophobicContact CG2-CD1 4.23Å; A398-L402 WeakPolarHBondContact O-CB 3.45Å; A398-L402 VanDerWaalsContact O-CG 3.23Å; A398-L402 WeakPolarHBondContact O-CG 3.36Å; A398-L402 PolarHBondContact O-N 3.42Å; Q399-L402 PolarHBondContact O-N 2.96Å; L402-A406 WeakPolarHBondContact O-CA 3.34Å; L402-A406 PolarHBondContact O-N 2.76Å; L402-L455 HydrophobicContact CD2-CD1 4.05Å; L402-L455 HydrophobicContact CD2-CD2 4.28Å; L402-P462 HydrophobicContact CB-CB 4.36Å; L402-P462 HydrophobicContact CB-CG 4.44Å; L402-P462 HydrophobicContact CD2-CB 4.02Å; L402-P462 HydrophobicContact CD2-CG 4.13Å; L402-C494 HydrophobicContact CD1-CB 4.39Å; L402-I510 HydrophobicContact CD2-CG1 3.89Å; L402-I510 HydrophobicContact CG-CG1 4.28Å
403A98.3Very high97.5Very high66 Ų6663 Ų6355%0.54532%0.318SS..Hα-helixtrans-66-44.5174.700000111.7Q399 D400 T401 H405 A406Q399-A403 WeakPolarHBondContact O-CB 3.08Å; Q399-A403 PolarHBondContact O-N 3.22Å; D400-A403 PolarHBondContact O-N 3.07Å; T401-A403 VanDerWaalsContact C-N 3.32Å; T401-A403 PolarHBondContact O-N 3.42Å; A403-H405 VanDerWaalsContact C-N 3.28Å; A403-H405 PolarHBondContact O-N 2.64Å; A403-A406 WeakPolarHBondContact O-CB 3.33Å; A403-A406 PolarHBondContact O-N 3.03Å
404Q98.4Very high97.6Very high129 Ų12963.7 Ų63.760%0.60332%0.319SS*.Hα-helixtrans-59.9-37.1177.3-77171.7-15.800112.7D400 T401D400-Q404 WeakPolarHBondContact O-CB 3Å; D400-Q404 VanDerWaalsContact O-CG 3.29Å; D400-Q404 WeakPolarHBondContact O-CG 3.15Å; D400-Q404 PolarHBondContact O-N 3.27Å; T401-Q404 PolarHBondContact O-N 2.89Å
405H98.1Very high97.6Very high20 Ų2064.2 Ų64.29%0.09332%0.323CS..THydrogen-bonded Turntrans-100.112.2-178.5-65.2-76.8000114T401 A403 H407 D408 R410 E503 G508T401-H405 PolarHBondContact O-CD2 3.24Å; T401-H405 PolarHBondContact O-N 3.01Å; T401-H405 VanDerWaalsContact O-N 3.08Å; A403-H405 VanDerWaalsContact C-N 3.28Å; A403-H405 PolarHBondContact O-N 2.64Å; H405-H407 VanDerWaalsContact C-N 3.27Å; H405-H407 PolarHBondContact O-N 2.77Å; H405-D408 IonicContact CE1-OD2 2.76Å; H405-D408 IonicContact CG-OD2 3.83Å; H405-D408 IonicContact ND1-OD1 2.62Å; H405-D408 IonicContact ND1-OD2 3.68Å; H405-D408 PolarHBondContact ND1-OD2 3.16Å; H405-D408 PolarHBondContact O-N 3.04Å; H405-R410 PolarHBondContact O-NH2 2.8Å; H405-E503 IonicContact CE1-OE1 3.45Å; H405-E503 IonicContact NE2-OE1 3.79Å; H405-E503 PolarHBondContact NE2-OE1 3.27Å; H405-G508 WeakPolarHBondContact CD2-CA 3.31Å; H405-G508 VanDerWaalsContact NE2-CA 3.31Å; H405-G508 WeakPolarHBondContact NE2-CA 3.41Å
406A97.4Very high97.6Very high25 Ų2563.2 Ų63.221%0.20732%0.321CS..THydrogen-bonded Turntrans-59.5-41.5-176.400000111.7L402 A403 R410L402-A406 WeakPolarHBondContact O-CA 3.34Å; L402-A406 PolarHBondContact O-N 2.76Å; A403-A406 WeakPolarHBondContact O-CB 3.33Å; A403-A406 PolarHBondContact O-N 3.03Å; A406-R410 PolarHBondContact O-NH1 3.26Å; A406-R410 PolarHBondContact O-NH2 3.48Å
407H96.2Very high97.5Very high183 Ų18363.2 Ų63.285%0.84732%0.323SS*.THydrogen-bonded Turntrans-96.78.9-175.9-55.9-61.9000114.2H405H405-H407 VanDerWaalsContact C-N 3.27Å; H405-H407 PolarHBondContact O-N 2.77Å
408D98Very high97.6Very high46 Ų4663.1 Ų63.125%0.24633%0.327CS..PPolyproline II helixtrans-57.8140.9175-8210.3000110.9H405 R410 V506H405-D408 IonicContact CE1-OD2 2.76Å; H405-D408 IonicContact CG-OD2 3.83Å; H405-D408 IonicContact ND1-OD1 2.62Å; H405-D408 IonicContact ND1-OD2 3.68Å; H405-D408 PolarHBondContact ND1-OD2 3.16Å; H405-D408 PolarHBondContact O-N 3.04Å; D408-R410 PolarHBondContact O-N 3.17Å; D408-R410 PolarHBondContact O-NH1 3.33Å; D408-R410 VanDerWaalsContact O-NH1 3.08Å; D408-V506 HydrophobicContact CB-CG2 3.88Å; D408-V506 PolarHBondContact OD2-N 2.93Å
409K96.3Very high97.5Very high195 Ų19563.1 Ų63.185%0.84833%0.327SS*.PPolyproline II helixtrans-66.8124.6174.8-175.9179.4-179.51780110
410R97.3Very high97.5Very high21 Ų2163.3 Ų63.38%0.07933%0.329CS..PPolyproline II helixtrans-95.9135178.4-67.1171.7176.273.312.8111H405 A406 D408 P412 E456 H458 V506H405-R410 PolarHBondContact O-NH2 2.8Å; A406-R410 PolarHBondContact O-NH1 3.26Å; A406-R410 PolarHBondContact O-NH2 3.48Å; D408-R410 PolarHBondContact O-N 3.17Å; D408-R410 PolarHBondContact O-NH1 3.33Å; D408-R410 VanDerWaalsContact O-NH1 3.08Å; R410-P412 CarbonylContact C-O 3.46Å; R410-E456 WeakPolarHBondContact CG-O 3.13Å; R410-H458 WeakPolarHBondContact CD-O 3.22Å; R410-H458 PolarHBondContact NE-O 2.58Å; R410-V506 HydrophobicContact CG-CG1 4.19Å; R410-V506 HydrophobicContact CG-CG2 3.91Å
411N93.9Very high97.4Very high147 Ų14762.6 Ų62.679%0.78633%0.329SS*.SBendtrans-146108.6175.9-173.613.6000110.9
412P96.1Very high97.4Very high33 Ų3362.7 Ų62.721%0.21433%0.329CS..SBendcis-67.1163.1-231-36000112.1R410 Y414 W457R410-P412 CarbonylContact C-O 3.46Å; P412-Y414 HydrophobicContact CB-CD2 4.45Å; P412-Y414 HydrophobicContact CB-CE1 4.12Å; P412-Y414 HydrophobicContact CB-CE2 3.71Å; P412-Y414 WeakPolarHBondContact CB-OH 3.22Å; P412-Y414 HydrophobicContact CG-CD2 4.33Å; P412-Y414 HydrophobicContact CG-CE2 3.44Å; P412-Y414 VanDerWaalsContact CG-CE2 3.44Å; P412-Y414 WeakPolarHBondContact CG-OH 3.48Å; P412-W457 HydrophobicContact CG-CD2 4.33Å; P412-W457 HydrophobicContact CG-CG 4.08Å
413S97.9Very high97.3Very high60 Ų6067.5 Ų67.542%0.4235%0.352SS..  trans-119.8126.5170.6-172.20000107.1W457 E459S413-W457 WeakPolarHBondContact CA-O 3.36Å; S413-E459 WeakPolarHBondContact OG-CA 3.06Å; S413-E459 WeakPolarHBondContact OG-CB 3.48Å
414Y98.5Very high97.3Very high18 Ų1864.9 Ų64.97%0.07133%0.329CS..BIsolated β-bridgetrans-122.5144.1-178.4-63.5-56.2000111P412 I418 T424 K425 W457 E459P412-Y414 HydrophobicContact CB-CD2 4.45Å; P412-Y414 HydrophobicContact CB-CE1 4.12Å; P412-Y414 HydrophobicContact CB-CE2 3.71Å; P412-Y414 WeakPolarHBondContact CB-OH 3.22Å; P412-Y414 HydrophobicContact CG-CD2 4.33Å; P412-Y414 HydrophobicContact CG-CE2 3.44Å; P412-Y414 VanDerWaalsContact CG-CE2 3.44Å; P412-Y414 WeakPolarHBondContact CG-OH 3.48Å; Y414-I418 HydrophobicContact CD1-CB 4.48Å; Y414-I418 HydrophobicContact CD1-CD1 4.35Å; Y414-I418 HydrophobicContact CD1-CG2 3.69Å; Y414-I418 HydrophobicContact CE1-CG2 4.29Å; Y414-I418 HydrophobicContact CG-CG2 4.14Å; Y414-T424 HydrophobicContact CD2-CG2 3.8Å; Y414-T424 HydrophobicContact CE2-CG2 3.82Å; Y414-T424 HydrophobicContact CG-CG2 4.31Å; Y414-K425 VanDerWaalsContact OH-CB 3.32Å; Y414-K425 WeakPolarHBondContact OH-CB 3.35Å; Y414-K425 WeakPolarHBondContact OH-CG 3.33Å; Y414-K425 PolarHBondContact OH-N 2.84Å; Y414-W457 HydrophobicContact CD2-CB 3.63Å; Y414-W457 HydrophobicContact CD2-CD2 4.12Å; Y414-W457 AromaticContact CD2-CE3 3.95Å; Y414-W457 HydrophobicContact CD2-CE3 3.95Å; Y414-W457 HydrophobicContact CD2-CG 4.03Å; Y414-W457 HydrophobicContact CE2-CB 4.24Å; Y414-W457 AromaticContact CE2-CD2 3.97Å; Y414-W457 HydrophobicContact CE2-CD2 3.97Å; Y414-W457 AromaticContact CE2-CE3 3.88Å; Y414-W457 HydrophobicContact CE2-CE3 3.88Å; Y414-W457 HydrophobicContact CE2-CG 4.15Å; Y414-W457 PolarHBondContact N-O 2.9Å; Y414-E459 PolarHBondContact O-N 2.74Å
415S97.6Very high97.3Very high19 Ų1967.9 Ų67.913%0.13334%0.34CS..  trans-73.6165.1167.282.10000111E417 I418 M419 E459S415-E417 VanDerWaalsContact C-N 3.26Å; S415-E417 WeakPolarHBondContact CB-OE2 3.05Å; S415-E417 PolarHBondContact O-N 2.88Å; S415-E417 PolarHBondContact OG-N 3.25Å; S415-E417 PolarHBondContact OG-OE2 2.95Å; S415-I418 PolarHBondContact O-N 3.05Å; S415-I418 PolarHBondContact OG-N 3.07Å; S415-M419 WeakPolarHBondContact O-CE 3.39Å; S415-M419 PolarHBondContact O-N 2.93Å; S415-E459 WeakPolarHBondContact CA-OE1 3.4Å; S415-E459 WeakPolarHBondContact CB-OE1 3.36Å
416E96.4Very high97.3Very high59 Ų5967.7 Ų67.728%0.27634%0.34SS..Hα-helixtrans-57.9-41.2175.2-71.6-176.1-17400111I418 M419 I420 H458 L468E416-I418 PolarHBondContact O-N 3.32Å; E416-M419 PolarHBondContact O-N 2.76Å; E416-I420 HydrophobicContact CB-CD1 4.37Å; E416-I420 WeakPolarHBondContact O-CB 3.43Å; E416-I420 WeakPolarHBondContact O-CD1 3.39Å; E416-I420 WeakPolarHBondContact O-CG1 3.37Å; E416-I420 PolarHBondContact O-N 3.24Å; E416-H458 WeakPolarHBondContact CG-NE2 3.49Å; E416-H458 IonicContact OE1-CE1 3.84Å; E416-H458 IonicContact OE1-NE2 2.64Å; E416-H458 PolarHBondContact OE1-NE2 2.95Å; E416-L468 HydrophobicContact CB-CD1 4.47Å; E416-L468 HydrophobicContact CG-CD1 4.43Å; E416-L468 HydrophobicContact CG-CD2 4.32Å
417E97.4Very high97.3Very high129 Ų12969.5 Ų69.560%0.60335%0.346SS*.Hα-helixtrans-62.4-45.5-177-59.273.6-159.200112.1S415 M419 I420 S421S415-E417 VanDerWaalsContact C-N 3.26Å; S415-E417 WeakPolarHBondContact CB-OE2 3.05Å; S415-E417 PolarHBondContact O-N 2.88Å; S415-E417 PolarHBondContact OG-N 3.25Å; S415-E417 PolarHBondContact OG-OE2 2.95Å; E417-M419 VanDerWaalsContact C-N 3.29Å; E417-M419 PolarHBondContact O-N 2.82Å; E417-I420 PolarHBondContact O-N 3.23Å; E417-S421 WeakPolarHBondContact O-CB 3.27Å; E417-S421 PolarHBondContact O-N 3.32Å; E417-S421 PolarHBondContact O-OG 3.46Å; E417-S421 VanDerWaalsContact O-OG 3.06Å
418I98.3Very high97.4Very high58 Ų5860.8 Ų60.830%0.29731%0.306SS..Hα-helixtrans-62.6-38.8178.6-67.4172.6000110.9Y414 S415 E416 S421 A422 E423 T424Y414-I418 HydrophobicContact CD1-CB 4.48Å; Y414-I418 HydrophobicContact CD1-CD1 4.35Å; Y414-I418 HydrophobicContact CD1-CG2 3.69Å; Y414-I418 HydrophobicContact CE1-CG2 4.29Å; Y414-I418 HydrophobicContact CG-CG2 4.14Å; S415-I418 PolarHBondContact O-N 3.05Å; S415-I418 PolarHBondContact OG-N 3.07Å; E416-I418 PolarHBondContact O-N 3.32Å; I418-S421 PolarHBondContact O-OG 3.26Å; I418-A422 PolarHBondContact O-N 3.2Å; I418-E423 HydrophobicContact CG2-CB 4.19Å; I418-E423 WeakPolarHBondContact CG2-O 3.38Å; I418-E423 PolarHBondContact O-N 3.36Å; I418-T424 HydrophobicContact CG2-CG2 4.41Å
419M97.9Very high97.5Very high0 Ų058.6 Ų58.60%029%0.294CS..Hα-helixtrans-71.5-44.9177.1-74.7-174.9-75.500111.2S415 E416 E417 S421 A422 T424 W429 I454 H458 L468S415-M419 WeakPolarHBondContact O-CE 3.39Å; S415-M419 PolarHBondContact O-N 2.93Å; E416-M419 PolarHBondContact O-N 2.76Å; E417-M419 VanDerWaalsContact C-N 3.29Å; E417-M419 PolarHBondContact O-N 2.82Å; M419-S421 VanDerWaalsContact C-N 3.3Å; M419-S421 PolarHBondContact O-N 2.85Å; M419-A422 PolarHBondContact O-N 3.36Å; M419-A422 VanDerWaalsContact O-N 3.12Å; M419-T424 HydrophobicContact CG-CG2 4.33Å; M419-W429 HydrophobicContact CB-CH2 3.7Å; M419-W429 HydrophobicContact CB-CZ2 4.42Å; M419-W429 HydrophobicContact CB-CZ3 4.28Å; M419-W429 HydrophobicContact CG-CH2 4.1Å; M419-W429 WeakPolarHBondContact O-CH2 3.24Å; M419-W429 WeakPolarHBondContact O-CZ3 3.5Å; M419-I454 HydrophobicContact SD-CG1 4.37Å; M419-I454 HydrophobicContact SD-CG2 4.36Å; M419-H458 HydrophobicContact CE-CB 3.91Å; M419-L468 HydrophobicContact CB-CD2 3.92Å; M419-L468 HydrophobicContact CE-CD2 3.42Å; M419-L468 VanDerWaalsContact CE-CD2 3.42Å; M419-L468 HydrophobicContact SD-CD2 3.88Å
420I96.8Very high97.6Very high56 Ų5650.4 Ų50.429%0.28726%0.259SS..Hα-helixtrans-58.6-43.8177-68.4163.6000110.6E416 E417 A422 L468 L472E416-I420 HydrophobicContact CB-CD1 4.37Å; E416-I420 WeakPolarHBondContact O-CB 3.43Å; E416-I420 WeakPolarHBondContact O-CD1 3.39Å; E416-I420 WeakPolarHBondContact O-CG1 3.37Å; E416-I420 PolarHBondContact O-N 3.24Å; E417-I420 PolarHBondContact O-N 3.23Å; I420-A422 PolarHBondContact O-N 3.43Å; I420-L468 HydrophobicContact CD1-CD1 4.09Å; I420-L468 HydrophobicContact CG1-CD1 3.85Å; I420-L472 HydrophobicContact CG1-CD2 4.05Å
421S97Very high97.7Very high47 Ų4749.5 Ų49.533%0.32926%0.256SS..THydrogen-bonded Turntrans-76.3-5.5179.969.30000114.5E417 I418 M419 E423E417-S421 WeakPolarHBondContact O-CB 3.27Å; E417-S421 PolarHBondContact O-N 3.32Å; E417-S421 PolarHBondContact O-OG 3.46Å; E417-S421 VanDerWaalsContact O-OG 3.06Å; I418-S421 PolarHBondContact O-OG 3.26Å; M419-S421 VanDerWaalsContact C-N 3.3Å; M419-S421 PolarHBondContact O-N 2.85Å; S421-E423 VanDerWaalsContact OG-CG 3.27Å; S421-E423 WeakPolarHBondContact OG-CG 3.39Å; S421-E423 PolarHBondContact OG-OE2 2.89Å
422A98.3Very high97.9Very high3 Ų342.5 Ų42.53%0.02522%0.219CC..THydrogen-bonded Turntrans58.745.9-175.600000113.3I418 M419 I420 N430 Q433 H434I418-A422 PolarHBondContact O-N 3.2Å; M419-A422 PolarHBondContact O-N 3.36Å; M419-A422 VanDerWaalsContact O-N 3.12Å; I420-A422 PolarHBondContact O-N 3.43Å; A422-N430 VanDerWaalsContact C-CG 3.49Å; A422-N430 VanDerWaalsContact C-OD1 3.27Å; A422-N430 HydrophobicContact CB-CB 4.06Å; A422-N430 WeakPolarHBondContact O-CB 3.41Å; A422-N430 PolarHBondContact O-ND2 2.94Å; A422-N430 PolarHBondContact O-OD1 2.96Å; A422-Q433 HydrophobicContact CB-CB 3.86Å; A422-Q433 HydrophobicContact CB-CG 3.73Å; A422-H434 VanDerWaalsContact CB-CE1 3.48Å; A422-H434 WeakPolarHBondContact CB-CE1 3.33Å
423E97.6Very high98Very high104 Ų10440.9 Ų40.949%0.48621%0.209SC..  trans-112.329.5-176.8-66.7-177134.200113.1I418 S421 K533I418-E423 HydrophobicContact CG2-CB 4.19Å; I418-E423 WeakPolarHBondContact CG2-O 3.38Å; I418-E423 PolarHBondContact O-N 3.36Å; S421-E423 VanDerWaalsContact OG-CG 3.27Å; S421-E423 WeakPolarHBondContact OG-CG 3.39Å; S421-E423 PolarHBondContact OG-OE2 2.89Å; E423-K533 IonicContact OE1-NZ 3.53Å; E423-K533 PolarHBondContact OE1-NZ 3.47Å
424T98.2Very high98.1Very high11 Ų1139 Ų397%0.06719%0.193CC..SBendtrans-74.1173174.580.60000111.3Y414 I418 M419 D426 W429 N430Y414-T424 HydrophobicContact CD2-CG2 3.8Å; Y414-T424 HydrophobicContact CE2-CG2 3.82Å; Y414-T424 HydrophobicContact CG-CG2 4.31Å; I418-T424 HydrophobicContact CG2-CG2 4.41Å; M419-T424 HydrophobicContact CG-CG2 4.33Å; T424-D426 PolarHBondContact O-N 3.17Å; T424-D426 PolarHBondContact OG1-N 2.88Å; T424-D426 VanDerWaalsContact OG1-N 3.13Å; T424-D426 PolarHBondContact OG1-O 2.84Å; T424-W429 HydrophobicContact CG2-CD2 4.44Å; T424-W429 HydrophobicContact CG2-CE3 3.66Å; T424-W429 HydrophobicContact CG2-CZ3 3.84Å; T424-N430 WeakPolarHBondContact CB-OD1 3.35Å; T424-N430 PolarHBondContact N-ND2 3.41Å; T424-N430 PolarHBondContact N-OD1 3.47Å; T424-N430 VanDerWaalsContact N-OD1 3.08Å; T424-N430 PolarHBondContact O-ND2 2.84Å; T424-N430 PolarHBondContact OG1-OD1 3.48Å
425K97.3Very high98Very high191 Ų19138.9 Ų38.983%0.8319%0.193SC*.SBendtrans-79.1-6172.2-67.1179.5-179.5-179.80113.1Y414Y414-K425 VanDerWaalsContact OH-CB 3.32Å; Y414-K425 WeakPolarHBondContact OH-CB 3.35Å; Y414-K425 WeakPolarHBondContact OH-CG 3.33Å; Y414-K425 PolarHBondContact OH-N 2.84Å
426D98.4Very high98.1Very high16 Ų1638 Ų389%0.08619%0.187CC..  trans-99.1104-177.9-170.3-59.1000109.7T424 L428 W429 N430 Y449 W457 Y515T424-D426 PolarHBondContact O-N 3.17Å; T424-D426 PolarHBondContact OG1-N 2.88Å; T424-D426 VanDerWaalsContact OG1-N 3.13Å; T424-D426 PolarHBondContact OG1-O 2.84Å; D426-L428 VanDerWaalsContact C-N 3.3Å; D426-L428 PolarHBondContact O-N 3.35Å; D426-L428 WeakPolarHBondContact OD1-CB 3.36Å; D426-L428 PolarHBondContact OD1-N 3.03Å; D426-W429 HydrophobicContact CB-CB 3.93Å; D426-W429 PolarHBondContact O-N 3.11Å; D426-W429 WeakPolarHBondContact OD1-CB 2.98Å; D426-W429 PolarHBondContact OD1-N 2.95Å; D426-N430 PolarHBondContact O-N 3.38Å; D426-N430 PolarHBondContact O-ND2 3.07Å; D426-N430 PolarHBondContact O-OD1 3.06Å; D426-Y449 PolarHBondContact OD1-OH 3.22Å; D426-Y449 PolarHBondContact OD2-OH 3.04Å; D426-W457 HydrophobicContact CB-CH2 3.39Å; D426-W457 HydrophobicContact CB-CZ2 4.22Å; D426-W457 HydrophobicContact CB-CZ3 4.01Å; D426-W457 WeakPolarHBondContact OD2-CH2 3.49Å; D426-Y515 WeakPolarHBondContact OD2-CD2 3.38Å
427D98.4Very high98.2Very high64 Ų6437.4 Ų37.434%0.34219%0.187SC..Hα-helixtrans-63.5-34.4-17764.8-20.4000112.8A431 Y515 V528D427-A431 VanDerWaalsContact O-CB 3.25Å; D427-A431 WeakPolarHBondContact O-CB 3.29Å; D427-A431 PolarHBondContact O-N 3.11Å; D427-Y515 WeakPolarHBondContact OD1-CE2 3.33Å; D427-Y515 PolarHBondContact OD1-OH 3.44Å; D427-Y515 PolarHBondContact OD2-OH 3.47Å; D427-V528 HydrophobicContact CB-CG1 4.28Å; D427-V528 HydrophobicContact CB-CG2 4.25Å
428L98.7Very high98.1Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-65.8-44.8175.3176.161000111.6D426 A431 A432 L446 Y449 Y515 C518 F522 V524 F527D426-L428 VanDerWaalsContact C-N 3.3Å; D426-L428 PolarHBondContact O-N 3.35Å; D426-L428 WeakPolarHBondContact OD1-CB 3.36Å; D426-L428 PolarHBondContact OD1-N 3.03Å; L428-A431 PolarHBondContact O-N 2.94Å; L428-A432 WeakPolarHBondContact O-CB 3.33Å; L428-A432 PolarHBondContact O-N 2.94Å; L428-L446 HydrophobicContact CD1-CD2 3.97Å; L428-L446 HydrophobicContact CG-CD2 4.45Å; L428-Y449 HydrophobicContact CB-CE1 4.32Å; L428-Y449 HydrophobicContact CD2-CD1 4.09Å; L428-Y449 HydrophobicContact CD2-CE1 3.77Å; L428-Y449 HydrophobicContact CG-CD1 4.22Å; L428-Y449 HydrophobicContact CG-CE1 3.89Å; L428-Y515 HydrophobicContact CB-CD2 4.04Å; L428-Y515 HydrophobicContact CB-CE2 3.59Å; L428-Y515 HydrophobicContact CD2-CD2 4.44Å; L428-C518 HydrophobicContact CD2-CB 3.55Å; L428-F522 HydrophobicContact CD1-CE2 3.9Å; L428-F522 HydrophobicContact CD1-CZ 3.91Å; L428-F522 HydrophobicContact CD2-CZ 4.02Å; L428-V524 HydrophobicContact CB-CG1 3.85Å; L428-V524 HydrophobicContact CD1-CG1 4.18Å; L428-V524 HydrophobicContact CD2-CG1 4.48Å; L428-V524 HydrophobicContact CD2-CG2 4.06Å; L428-V524 HydrophobicContact CG-CG1 4.39Å; L428-F527 HydrophobicContact CD1-CD1 3.75Å; L428-F527 HydrophobicContact CD1-CE1 4.3Å
429W98.7Very high98.1Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-64.7-44.2177.8-168.592.4000110.9M419 T424 D426 A431 A432 Q433 Y449 W450 K453 I454 W457M419-W429 HydrophobicContact CB-CH2 3.7Å; M419-W429 HydrophobicContact CB-CZ2 4.42Å; M419-W429 HydrophobicContact CB-CZ3 4.28Å; M419-W429 HydrophobicContact CG-CH2 4.1Å; M419-W429 WeakPolarHBondContact O-CH2 3.24Å; M419-W429 WeakPolarHBondContact O-CZ3 3.5Å; T424-W429 HydrophobicContact CG2-CD2 4.44Å; T424-W429 HydrophobicContact CG2-CE3 3.66Å; T424-W429 HydrophobicContact CG2-CZ3 3.84Å; D426-W429 HydrophobicContact CB-CB 3.93Å; D426-W429 PolarHBondContact O-N 3.11Å; D426-W429 WeakPolarHBondContact OD1-CB 2.98Å; D426-W429 PolarHBondContact OD1-N 2.95Å; W429-A431 PolarHBondContact O-N 3.37Å; W429-A432 WeakPolarHBondContact O-CB 3.44Å; W429-A432 PolarHBondContact O-N 3.42Å; W429-Q433 HydrophobicContact CE3-CB 4.32Å; W429-Q433 HydrophobicContact CH2-CB 4.24Å; W429-Q433 HydrophobicContact CH2-CG 4.25Å; W429-Q433 HydrophobicContact CZ3-CB 3.97Å; W429-Q433 HydrophobicContact CZ3-CG 4.19Å; W429-Q433 PolarHBondContact O-N 3.13Å; W429-Y449 HydrophobicContact CB-CE1 4.12Å; W429-W450 AromaticContact CE2-CD1 3.55Å; W429-W450 AromaticContact CE2-NE1 3.86Å; W429-W450 AromaticContact CZ2-CD1 3.7Å; W429-W450 AromaticContact CZ2-NE1 3.49Å; W429-W450 AromaticContact NE1-CD1 3.48Å; W429-W450 AromaticContact NE1-CG 3.85Å; W429-W450 PolarHBondContact NE1-O 2.78Å; W429-K453 HydrophobicContact CG-CB 4.34Å; W429-I454 HydrophobicContact CZ2-CD1 4.03Å; W429-I454 HydrophobicContact CZ2-CG1 3.66Å; W429-W457 HydrophobicContact CB-CH2 4.18Å; W429-W457 HydrophobicContact CB-CZ3 3.94Å; W429-W457 AromaticContact CD1-CZ3 3.92Å; W429-W457 HydrophobicContact CD2-CZ3 4.2Å; W429-W457 HydrophobicContact CG-CH2 4.35Å; W429-W457 AromaticContact CG-CZ3 3.73Å; W429-W457 HydrophobicContact CG-CZ3 3.73Å
430N98.8Very high98.1Very high22 Ų2235.1 Ų35.112%0.11817%0.173CC..Hα-helixtrans-61.5-45.5176.6-64-15.6000111.3A422 T424 D426 A432 Q433 H434A422-N430 VanDerWaalsContact C-CG 3.49Å; A422-N430 VanDerWaalsContact C-OD1 3.27Å; A422-N430 HydrophobicContact CB-CB 4.06Å; A422-N430 WeakPolarHBondContact O-CB 3.41Å; A422-N430 PolarHBondContact O-ND2 2.94Å; A422-N430 PolarHBondContact O-OD1 2.96Å; T424-N430 WeakPolarHBondContact CB-OD1 3.35Å; T424-N430 PolarHBondContact N-ND2 3.41Å; T424-N430 PolarHBondContact N-OD1 3.47Å; T424-N430 VanDerWaalsContact N-OD1 3.08Å; T424-N430 PolarHBondContact O-ND2 2.84Å; T424-N430 PolarHBondContact OG1-OD1 3.48Å; D426-N430 PolarHBondContact O-N 3.38Å; D426-N430 PolarHBondContact O-ND2 3.07Å; D426-N430 PolarHBondContact O-OD1 3.06Å; N430-A432 VanDerWaalsContact C-N 3.31Å; N430-A432 PolarHBondContact O-N 2.96Å; N430-Q433 PolarHBondContact O-N 2.77Å; N430-H434 PolarHBondContact O-CD2 2.84Å; N430-H434 PolarHBondContact O-N 3.07Å
431A98.8Very high98.1Very high2 Ų233.7 Ų33.72%0.01717%0.165CC..Hα-helixtrans-61.4-38175.500000112.6D427 L428 W429 H434 Q435 F527 V528 Y531D427-A431 VanDerWaalsContact O-CB 3.25Å; D427-A431 WeakPolarHBondContact O-CB 3.29Å; D427-A431 PolarHBondContact O-N 3.11Å; L428-A431 PolarHBondContact O-N 2.94Å; W429-A431 PolarHBondContact O-N 3.37Å; A431-H434 PolarHBondContact O-N 3.37Å; A431-Q435 PolarHBondContact O-N 2.87Å; A431-F527 HydrophobicContact CB-CD1 4.02Å; A431-F527 HydrophobicContact CB-CE1 3.86Å; A431-V528 HydrophobicContact CB-CB 4.31Å; A431-V528 HydrophobicContact CB-CG2 3.98Å; A431-Y531 WeakPolarHBondContact O-CB 3.47Å
432A98.8Very high98.1Very high0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-64.2-43.9173.900000111.6L428 W429 N430 Q435 L436 L442 L446L428-A432 WeakPolarHBondContact O-CB 3.33Å; L428-A432 PolarHBondContact O-N 2.94Å; W429-A432 WeakPolarHBondContact O-CB 3.44Å; W429-A432 PolarHBondContact O-N 3.42Å; N430-A432 VanDerWaalsContact C-N 3.31Å; N430-A432 PolarHBondContact O-N 2.96Å; A432-Q435 WeakPolarHBondContact O-CB 3.28Å; A432-Q435 PolarHBondContact O-N 3.04Å; A432-L436 PolarHBondContact O-N 3.08Å; A432-L442 HydrophobicContact CB-CD1 3.85Å; A432-L442 WeakPolarHBondContact O-CD1 3.46Å; A432-L446 HydrophobicContact CB-CB 4.42Å; A432-L446 HydrophobicContact CB-CD1 4.39Å
433Q98.6Very high98.1Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-63.3-42.7175.2-179.661.29.900111.5A422 W429 N430 Q435 L436 V437A422-Q433 HydrophobicContact CB-CB 3.86Å; A422-Q433 HydrophobicContact CB-CG 3.73Å; W429-Q433 HydrophobicContact CE3-CB 4.32Å; W429-Q433 HydrophobicContact CH2-CB 4.24Å; W429-Q433 HydrophobicContact CH2-CG 4.25Å; W429-Q433 HydrophobicContact CZ3-CB 3.97Å; W429-Q433 HydrophobicContact CZ3-CG 4.19Å; W429-Q433 PolarHBondContact O-N 3.13Å; N430-Q433 PolarHBondContact O-N 2.77Å; Q433-Q435 VanDerWaalsContact C-N 3.34Å; Q433-Q435 PolarHBondContact O-N 3.15Å; Q433-L436 PolarHBondContact O-N 2.97Å; Q433-V437 WeakPolarHBondContact O-CG2 3.48Å; Q433-V437 PolarHBondContact O-N 3.49Å
434H98.6Very high97.9Very high21 Ų2128.9 Ų28.910%0.09715%0.147CC..Hα-helixtrans-62.5-38.7173.3-68-45.3000112.6A422 N430 A431 R438A422-H434 VanDerWaalsContact CB-CE1 3.48Å; A422-H434 WeakPolarHBondContact CB-CE1 3.33Å; N430-H434 PolarHBondContact O-CD2 2.84Å; N430-H434 PolarHBondContact O-N 3.07Å; A431-H434 PolarHBondContact O-N 3.37Å; H434-R438 VanDerWaalsContact O-CB 3.24Å; H434-R438 WeakPolarHBondContact O-CB 3.48Å; H434-R438 VanDerWaalsContact O-CG 3.26Å; H434-R438 WeakPolarHBondContact O-CG 3.23Å; H434-R438 PolarHBondContact O-N 3.32Å
435Q98.2Very high97.8Very high15 Ų1529.3 Ų29.37%0.0715%0.148CC..Hα-helixtrans-58.1-50.3173-178.3-176.35000110.6A431 A432 Q433 S439 K441 F527 Y531A431-Q435 PolarHBondContact O-N 2.87Å; A432-Q435 WeakPolarHBondContact O-CB 3.28Å; A432-Q435 PolarHBondContact O-N 3.04Å; Q433-Q435 VanDerWaalsContact C-N 3.34Å; Q433-Q435 PolarHBondContact O-N 3.15Å; Q435-S439 WeakPolarHBondContact O-CB 3.44Å; Q435-S439 PolarHBondContact O-N 3.01Å; Q435-S439 PolarHBondContact O-OG 3.23Å; Q435-K441 CarbonylContact C-O 3.57Å; Q435-K441 WeakPolarHBondContact CG-O 3.32Å; Q435-F527 HydrophobicContact CB-CZ 4.27Å; Q435-Y531 HydrophobicContact CB-CD1 3.81Å; Q435-Y531 HydrophobicContact CB-CD2 3.98Å; Q435-Y531 HydrophobicContact CB-CE1 3.75Å; Q435-Y531 HydrophobicContact CB-CE2 3.91Å; Q435-Y531 HydrophobicContact CB-CG 3.93Å; Q435-Y531 HydrophobicContact CG-CD1 4.3Å; Q435-Y531 HydrophobicContact CG-CD2 4.44Å; Q435-Y531 HydrophobicContact CG-CE1 3.71Å; Q435-Y531 HydrophobicContact CG-CE2 3.86Å; Q435-Y531 VanDerWaalsContact CG-CZ 3.45Å; Q435-Y531 PolarHBondContact NE2-OH 2.84Å
436L98.4Very high97.9Very high1 Ų120.2 Ų20.21%0.00511%0.108CC..Hα-helixtrans-57.9-52.4179.3175.357.6000111.5A432 Q433 G440 K441 L442 W450 A477A432-L436 PolarHBondContact O-N 3.08Å; Q433-L436 PolarHBondContact O-N 2.97Å; L436-G440 WeakPolarHBondContact O-CA 3.47Å; L436-G440 PolarHBondContact O-N 2.96Å; L436-K441 WeakPolarHBondContact CA-O 3.29Å; L436-K441 PolarHBondContact N-O 2.97Å; L436-L442 HydrophobicContact CB-CB 4.32Å; L436-L442 HydrophobicContact CD1-CB 4.34Å; L436-W450 HydrophobicContact CD2-CZ2 4.01Å; L436-A477 HydrophobicContact CD1-CB 3.71Å
437V97.9Very high97.9Very high45 Ų4521.9 Ų21.927%0.27311%0.113SC..Hα-helixtrans-62.4-46.6-178.1173.10000111.5R117 Q433 Y476R117-V437 PolarHBondContact NH1-O 3.35Å; R117-V437 VanDerWaalsContact NH1-O 3.11Å; R117-V437 PolarHBondContact NH2-O 3.23Å; Q433-V437 WeakPolarHBondContact O-CG2 3.48Å; Q433-V437 PolarHBondContact O-N 3.49Å; V437-Y476 HydrophobicContact CB-CD1 4.28Å; V437-Y476 HydrophobicContact CB-CE1 4.37Å; V437-Y476 HydrophobicContact CG1-CD1 4.24Å; V437-Y476 HydrophobicContact CG1-CE1 4Å; V437-Y476 HydrophobicContact CG2-CD1 4Å; V437-Y476 HydrophobicContact CG2-CD2 4.09Å; V437-Y476 HydrophobicContact CG2-CE1 3.93Å; V437-Y476 HydrophobicContact CG2-CE2 4.04Å; V437-Y476 HydrophobicContact CG2-CG 4.08Å
438R96.8Very high97.8Very high115 Ų11521.2 Ų21.243%0.43411%0.109SC..Hα-helixtrans-79.6-43.3-173.4-65.1176.6-177.4165.95.3113.2R117 H434 P532 K533R117-R438 PolarHBondContact NH2-O 2.81Å; H434-R438 VanDerWaalsContact O-CB 3.24Å; H434-R438 WeakPolarHBondContact O-CB 3.48Å; H434-R438 VanDerWaalsContact O-CG 3.26Å; H434-R438 WeakPolarHBondContact O-CG 3.23Å; H434-R438 PolarHBondContact O-N 3.32Å; R438-P532 PolarHBondContact NH1-O 3.45Å; R438-P532 PolarHBondContact NH2-O 3.5Å; R438-K533 PolarHBondContact NH2-OXT 2.75Å
439S97.1Very high97.8Very high23 Ų2321.2 Ų21.216%0.16111%0.109CC..Hα-helixtrans-99.5-6.1-17274.50000114.5V295 W297 Q435 K441V295-S439 WeakPolarHBondContact CG1-O 3.49Å; W297-S439 PolarHBondContact NE1-O 3.4Å; Q435-S439 WeakPolarHBondContact O-CB 3.44Å; Q435-S439 PolarHBondContact O-N 3.01Å; Q435-S439 PolarHBondContact O-OG 3.23Å; S439-K441 PolarHBondContact O-N 3.44Å; S439-K441 PolarHBondContact OG-O 3.33Å
440G97.9Very high97.8Very high1 Ų121.5 Ų21.51%0.0111%0.11CC..SBendtrans65.126.7-17600000113.5L436 Y476 A477 L478L436-G440 WeakPolarHBondContact O-CA 3.47Å; L436-G440 PolarHBondContact O-N 2.96Å; G440-Y476 VanDerWaalsContact CA-O 3.27Å; G440-Y476 WeakPolarHBondContact CA-O 3.49Å; G440-A477 CarbonylContact O-C 3.5Å; G440-A477 WeakPolarHBondContact O-CA 3.48Å; G440-L478 PolarHBondContact O-N 3.04Å
441K97.3Very high97.8Very high27 Ų2720.5 Ų20.512%0.11711%0.105CC..  trans-157.2146.8-176177.2176.9174.8-175.60110W297 N334 Q435 L436 S439W297-K441 HydrophobicContact CH2-CD 3.98Å; W297-K441 HydrophobicContact CZ2-CB 4.15Å; W297-K441 HydrophobicContact CZ2-CD 3.84Å; N334-K441 PolarHBondContact OD1-NZ 2.87Å; Q435-K441 CarbonylContact C-O 3.57Å; Q435-K441 WeakPolarHBondContact CG-O 3.32Å; L436-K441 WeakPolarHBondContact CA-O 3.29Å; L436-K441 PolarHBondContact N-O 2.97Å; S439-K441 PolarHBondContact O-N 3.44Å; S439-K441 PolarHBondContact OG-O 3.33Å
442L97Very high97.8Very high5 Ų520.4 Ų20.43%0.02610%0.104CC..  trans-123.4132.6169.9-178.253.5000109.7A432 L436 G444 L446 R447 W450A432-L442 HydrophobicContact CB-CD1 3.85Å; A432-L442 WeakPolarHBondContact O-CD1 3.46Å; L436-L442 HydrophobicContact CB-CB 4.32Å; L436-L442 HydrophobicContact CD1-CB 4.34Å; L442-G444 PolarHBondContact O-N 2.92Å; L442-L446 HydrophobicContact CD1-CB 3.79Å; L442-L446 HydrophobicContact CG-CB 4.35Å; L442-R447 HydrophobicContact CB-CG 3.7Å; L442-R447 HydrophobicContact CD2-CB 4.32Å; L442-R447 HydrophobicContact CD2-CG 3.82Å; L442-R447 HydrophobicContact CG-CB 4.39Å; L442-R447 HydrophobicContact CG-CG 3.59Å; L442-R447 PolarHBondContact O-NE 3.45Å; L442-R447 VanDerWaalsContact O-NE 3.07Å; L442-W450 HydrophobicContact CD2-CB 3.79Å; L442-W450 HydrophobicContact CD2-CD2 3.92Å; L442-W450 HydrophobicContact CD2-CE3 4.25Å; L442-W450 HydrophobicContact CD2-CG 3.72Å
443H97.5Very high97.8Very high10 Ų1020.9 Ų20.95%0.04611%0.106CC..  trans-56.3137.5179.1-174.2-88.8000111R324 P327 L332 F445 L446 R447R324-H443 PolarHBondContact O-CE1 3.01Å; R324-H443 PolarHBondContact O-NE2 3.08Å; P327-H443 HydrophobicContact CB-CB 4Å; L332-H443 VanDerWaalsContact CD1-CD2 3.42Å; L332-H443 WeakPolarHBondContact CD1-CD2 3.18Å; H443-F445 VanDerWaalsContact C-N 3.34Å; H443-F445 PolarHBondContact ND1-N 3.28Å; H443-F445 PolarHBondContact O-N 3.21Å; H443-L446 HydrophobicContact CB-CB 4.29Å; H443-L446 HydrophobicContact CB-CD1 4.19Å; H443-L446 HydrophobicContact CB-CG 4.28Å; H443-L446 CarbonylContact O-C 3.53Å; H443-L446 WeakPolarHBondContact O-CA 3.31Å; H443-L446 PolarHBondContact O-N 3.17Å; H443-R447 PolarHBondContact O-N 2.74Å
444G94.8Very high97.8Very high37 Ų3720.9 Ų20.938%0.38111%0.106SC..Hα-helixtrans-53.6-45.1-170.900000114.2L442 L446 R447L442-G444 PolarHBondContact O-N 2.92Å; G444-L446 VanDerWaalsContact C-N 3.31Å; G444-L446 PolarHBondContact O-N 3.29Å; G444-R447 PolarHBondContact O-N 3.06Å
445F96.4Very high97.8Very high21 Ų2119.9 Ų19.99%0.09210%0.101CC..Hα-helixtrans-61.5-39.2174.3-174-89.1000113.1N325 H443 M448 Y449 M513 K521 F522N325-F445 HydrophobicContact CB-CD2 3.95Å; N325-F445 HydrophobicContact CB-CG 4.48Å; H443-F445 VanDerWaalsContact C-N 3.34Å; H443-F445 PolarHBondContact ND1-N 3.28Å; H443-F445 PolarHBondContact O-N 3.21Å; F445-M448 HydrophobicContact CB-CE 4.35Å; F445-M448 HydrophobicContact CD2-CE 3.75Å; F445-M448 HydrophobicContact CE2-CE 4.37Å; F445-M448 HydrophobicContact CG-CE 4.24Å; F445-M448 WeakPolarHBondContact O-CB 3.36Å; F445-M448 PolarHBondContact O-N 3.05Å; F445-Y449 PolarHBondContact O-N 2.89Å; F445-M513 HydrophobicContact CD1-CE 4.3Å; F445-M513 HydrophobicContact CE1-CE 3.54Å; F445-M513 HydrophobicContact CE2-CE 3.98Å; F445-M513 HydrophobicContact CZ-CE 3.36Å; F445-K521 HydrophobicContact CZ-CG 4.18Å; F445-F522 AromaticContact CD1-CE1 3.87Å; F445-F522 HydrophobicContact CD1-CE1 3.87Å; F445-F522 AromaticContact CE1-CE1 3.76Å; F445-F522 HydrophobicContact CE1-CE1 3.76Å
446L98.3Very high97.8Very high0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-76.7-26-178.7-64.4-180000112.6P327 L428 A432 L442 H443 G444 M448 Y449 W450 F522 F527P327-L446 HydrophobicContact CB-CD1 3.69Å; P327-L446 HydrophobicContact CB-CG 4.08Å; P327-L446 HydrophobicContact CG-CD1 3.95Å; P327-L446 HydrophobicContact CG-CD2 4.31Å; P327-L446 HydrophobicContact CG-CG 4.08Å; L428-L446 HydrophobicContact CD1-CD2 3.97Å; L428-L446 HydrophobicContact CG-CD2 4.45Å; A432-L446 HydrophobicContact CB-CB 4.42Å; A432-L446 HydrophobicContact CB-CD1 4.39Å; L442-L446 HydrophobicContact CD1-CB 3.79Å; L442-L446 HydrophobicContact CG-CB 4.35Å; H443-L446 HydrophobicContact CB-CB 4.29Å; H443-L446 HydrophobicContact CB-CD1 4.19Å; H443-L446 HydrophobicContact CB-CG 4.28Å; H443-L446 CarbonylContact O-C 3.53Å; H443-L446 WeakPolarHBondContact O-CA 3.31Å; H443-L446 PolarHBondContact O-N 3.17Å; G444-L446 VanDerWaalsContact C-N 3.31Å; G444-L446 PolarHBondContact O-N 3.29Å; L446-M448 PolarHBondContact O-N 3.4Å; L446-Y449 PolarHBondContact O-N 2.76Å; L446-W450 WeakPolarHBondContact O-CB 3.36Å; L446-W450 PolarHBondContact O-N 3.47Å; L446-F522 HydrophobicContact CD2-CE1 4.34Å; L446-F522 HydrophobicContact CD2-CZ 3.79Å; L446-F527 HydrophobicContact CD1-CD1 3.97Å; L446-F527 HydrophobicContact CD1-CD2 4.14Å; L446-F527 HydrophobicContact CD1-CE1 3.34Å; L446-F527 HydrophobicContact CD1-CE2 3.53Å; L446-F527 HydrophobicContact CD1-CG 4.33Å; L446-F527 HydrophobicContact CD1-CZ 3.1Å
447R97.9Very high97.8Very high51 Ų5121.5 Ų21.519%0.19211%0.109CC..Hα-helixtrans-55.1-42.7170.9-72.4-168.1-174.4-133.37.6111.4L442 H443 G444 A451 N473 D479L442-R447 HydrophobicContact CB-CG 3.7Å; L442-R447 HydrophobicContact CD2-CB 4.32Å; L442-R447 HydrophobicContact CD2-CG 3.82Å; L442-R447 HydrophobicContact CG-CB 4.39Å; L442-R447 HydrophobicContact CG-CG 3.59Å; L442-R447 PolarHBondContact O-NE 3.45Å; L442-R447 VanDerWaalsContact O-NE 3.07Å; H443-R447 PolarHBondContact O-N 2.74Å; G444-R447 PolarHBondContact O-N 3.06Å; R447-A451 WeakPolarHBondContact O-CB 3.33Å; R447-A451 PolarHBondContact O-N 3.25Å; R447-N473 PolarHBondContact NH1-OD1 3.14Å; R447-D479 IonicContact CZ-OD1 3.54Å; R447-D479 IonicContact CZ-OD2 2.74Å; R447-D479 IonicContact NH1-OD1 3.8Å; R447-D479 PolarHBondContact NH1-OD1 2.59Å; R447-D479 VanDerWaalsContact NH1-OD1 3.15Å; R447-D479 IonicContact NH1-OD2 3.98Å; R447-D479 IonicContact NH2-OD1 3.07Å; R447-D479 PolarHBondContact NH2-OD1 3.43Å; R447-D479 IonicContact NH2-OD2 2.76Å; R447-D479 PolarHBondContact NH2-OD2 3.28Å
448M97.9Very high97.8Very high50 Ų5019.4 Ų19.425%0.24610%0.096CC..Hα-helixtrans-64.4-50.7177.3-56.6-170-79.700111.8F445 L446 K452 W491 M513F445-M448 HydrophobicContact CB-CE 4.35Å; F445-M448 HydrophobicContact CD2-CE 3.75Å; F445-M448 HydrophobicContact CE2-CE 4.37Å; F445-M448 HydrophobicContact CG-CE 4.24Å; F445-M448 WeakPolarHBondContact O-CB 3.36Å; F445-M448 PolarHBondContact O-N 3.05Å; L446-M448 PolarHBondContact O-N 3.4Å; M448-K452 VanDerWaalsContact O-CB 3.3Å; M448-K452 WeakPolarHBondContact O-CB 3.36Å; M448-K452 WeakPolarHBondContact O-CD 3.2Å; M448-K452 WeakPolarHBondContact O-CG 3.47Å; M448-K452 PolarHBondContact O-N 2.76Å; M448-W491 HydrophobicContact CB-CH2 4.21Å; M448-W491 HydrophobicContact CB-CZ3 3.64Å; M448-W491 HydrophobicContact CG-CE3 4.19Å; M448-W491 HydrophobicContact CG-CH2 3.88Å; M448-W491 HydrophobicContact CG-CZ3 3.31Å; M448-W491 HydrophobicContact SD-CE3 4.37Å; M448-W491 HydrophobicContact SD-CH2 3.22Å; M448-W491 WeakPolarHBondContact SD-CH2 3.32Å; M448-W491 HydrophobicContact SD-CZ2 4.24Å; M448-W491 HydrophobicContact SD-CZ3 3.33Å; M448-W491 WeakPolarHBondContact SD-CZ3 3.25Å; M448-M513 HydrophobicContact CB-SD 3.65Å
449Y98.6Very high97.8Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-57.9-52178.2-178.4-105.7000110.9D426 L428 W429 F445 L446 A451 K452 K453 M513 C518D426-Y449 PolarHBondContact OD1-OH 3.22Å; D426-Y449 PolarHBondContact OD2-OH 3.04Å; L428-Y449 HydrophobicContact CB-CE1 4.32Å; L428-Y449 HydrophobicContact CD2-CD1 4.09Å; L428-Y449 HydrophobicContact CD2-CE1 3.77Å; L428-Y449 HydrophobicContact CG-CD1 4.22Å; L428-Y449 HydrophobicContact CG-CE1 3.89Å; W429-Y449 HydrophobicContact CB-CE1 4.12Å; F445-Y449 PolarHBondContact O-N 2.89Å; L446-Y449 PolarHBondContact O-N 2.76Å; Y449-A451 PolarHBondContact O-N 3.41Å; Y449-K452 PolarHBondContact O-N 3.01Å; Y449-K453 HydrophobicContact CD1-CG 4.22Å; Y449-K453 HydrophobicContact CD2-CG 4.34Å; Y449-K453 HydrophobicContact CE1-CG 3.85Å; Y449-K453 HydrophobicContact CE2-CD 4.21Å; Y449-K453 VanDerWaalsContact CE2-CE 3.45Å; Y449-K453 HydrophobicContact CE2-CG 3.99Å; Y449-K453 HydrophobicContact CG-CG 4.46Å; Y449-K453 VanDerWaalsContact CZ-CE 3.47Å; Y449-K453 WeakPolarHBondContact O-CB 3.3Å; Y449-K453 WeakPolarHBondContact O-CG 3.3Å; Y449-K453 PolarHBondContact O-N 3.25Å; Y449-K453 WeakPolarHBondContact OH-CE 3.45Å; Y449-M513 HydrophobicContact CD2-CB 4.02Å; Y449-M513 HydrophobicContact CD2-CE 4.34Å; Y449-C518 WeakPolarHBondContact CD2-SG 3.34Å
450W98.7Very high97.7Very high5 Ų521.6 Ų21.62%0.01912%0.118CC..Hα-helixtrans-56.2-51.8-177.7173.589.8000112W429 L436 L442 L446 K453 I454 A469 L472W429-W450 AromaticContact CE2-CD1 3.55Å; W429-W450 AromaticContact CE2-NE1 3.86Å; W429-W450 AromaticContact CZ2-CD1 3.7Å; W429-W450 AromaticContact CZ2-NE1 3.49Å; W429-W450 AromaticContact NE1-CD1 3.48Å; W429-W450 AromaticContact NE1-CG 3.85Å; W429-W450 PolarHBondContact NE1-O 2.78Å; L436-W450 HydrophobicContact CD2-CZ2 4.01Å; L442-W450 HydrophobicContact CD2-CB 3.79Å; L442-W450 HydrophobicContact CD2-CD2 3.92Å; L442-W450 HydrophobicContact CD2-CE3 4.25Å; L442-W450 HydrophobicContact CD2-CG 3.72Å; L446-W450 WeakPolarHBondContact O-CB 3.36Å; L446-W450 PolarHBondContact O-N 3.47Å; W450-K453 PolarHBondContact O-N 2.93Å; W450-I454 HydrophobicContact CD2-CD1 3.86Å; W450-I454 HydrophobicContact CE3-CD1 4Å; W450-I454 HydrophobicContact CH2-CD1 3.65Å; W450-I454 HydrophobicContact CZ2-CD1 3.5Å; W450-I454 HydrophobicContact CZ3-CD1 3.89Å; W450-I454 WeakPolarHBondContact O-CG1 3.34Å; W450-I454 PolarHBondContact O-N 2.65Å; W450-I454 VanDerWaalsContact O-N 3.14Å; W450-A469 HydrophobicContact CH2-CB 4.1Å; W450-A469 VanDerWaalsContact CH2-O 3.3Å; W450-A469 WeakPolarHBondContact CH2-O 3.37Å; W450-A469 HydrophobicContact CZ3-CB 3.97Å; W450-L472 HydrophobicContact CH2-CB 3.66Å; W450-L472 HydrophobicContact CH2-CD1 4.31Å; W450-L472 HydrophobicContact CZ2-CB 3.45Å; W450-L472 VanDerWaalsContact CZ2-CB 3.45Å; W450-L472 HydrophobicContact CZ2-CD1 3.55Å; W450-L472 HydrophobicContact CZ2-CG 4.14Å
451A98.7Very high97.6Very high2 Ų221.6 Ų21.62%0.01712%0.118CC..Hα-helixtrans-68.4-38-179.400000112.3R447 Y449 K453 I454 L455 S492 I493R447-A451 WeakPolarHBondContact O-CB 3.33Å; R447-A451 PolarHBondContact O-N 3.25Å; Y449-A451 PolarHBondContact O-N 3.41Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 3Å; A451-I454 PolarHBondContact O-N 2.68Å; A451-L455 PolarHBondContact O-N 2.8Å; A451-S492 VanDerWaalsContact CB-CB 3.43Å; A451-I493 HydrophobicContact CB-CG1 4.35Å; A451-I493 WeakPolarHBondContact O-CG1 3.4Å
452K98.6Very high97.7Very high0 Ų020.6 Ų20.60%011%0.114CC..Hα-helixtrans-65.3-35.4176.7-74.2172.6-172.7-57.10112.4M448 Y449 L455 E456 S492 F507 R511 M513M448-K452 VanDerWaalsContact O-CB 3.3Å; M448-K452 WeakPolarHBondContact O-CB 3.36Å; M448-K452 WeakPolarHBondContact O-CD 3.2Å; M448-K452 WeakPolarHBondContact O-CG 3.47Å; M448-K452 PolarHBondContact O-N 2.76Å; Y449-K452 PolarHBondContact O-N 3.01Å; K452-L455 PolarHBondContact O-N 3.45Å; K452-E456 PolarHBondContact O-N 2.91Å; K452-E456 VanDerWaalsContact O-N 3.09Å; K452-S492 WeakPolarHBondContact CG-O 3.37Å; K452-S492 PolarHBondContact NZ-O 3.11Å; K452-F507 WeakPolarHBondContact O-CE1 3.46Å; K452-R511 WeakPolarHBondContact CD-O 3.38Å; K452-R511 WeakPolarHBondContact CE-O 3.39Å; K452-R511 PolarHBondContact NZ-O 2.83Å; K452-M513 HydrophobicContact CD-CB 4.04Å; K452-M513 HydrophobicContact CD-CG 3.63Å; K452-M513 HydrophobicContact CD-SD 3.86Å
453K98.7Very high97.6Very high9 Ų924.3 Ų24.34%0.03914%0.141CC..Hα-helixtrans-70.3-33.6174.8-73.4-40.1-162-176.40113.2W429 Y449 W450 A451 L455 E456 W457 M513W429-K453 HydrophobicContact CG-CB 4.34Å; Y449-K453 HydrophobicContact CD1-CG 4.22Å; Y449-K453 HydrophobicContact CD2-CG 4.34Å; Y449-K453 HydrophobicContact CE1-CG 3.85Å; Y449-K453 HydrophobicContact CE2-CD 4.21Å; Y449-K453 VanDerWaalsContact CE2-CE 3.45Å; Y449-K453 HydrophobicContact CE2-CG 3.99Å; Y449-K453 HydrophobicContact CG-CG 4.46Å; Y449-K453 VanDerWaalsContact CZ-CE 3.47Å; Y449-K453 WeakPolarHBondContact O-CB 3.3Å; Y449-K453 WeakPolarHBondContact O-CG 3.3Å; Y449-K453 PolarHBondContact O-N 3.25Å; Y449-K453 WeakPolarHBondContact OH-CE 3.45Å; W450-K453 PolarHBondContact O-N 2.93Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 3Å; K453-L455 VanDerWaalsContact C-N 3.34Å; K453-L455 PolarHBondContact O-N 2.89Å; K453-E456 WeakPolarHBondContact CD-OE2 3.04Å; K453-E456 IonicContact NZ-OE1 2.75Å; K453-E456 PolarHBondContact NZ-OE1 3.24Å; K453-E456 IonicContact NZ-OE2 3.44Å; K453-E456 PolarHBondContact NZ-OE2 3.46Å; K453-E456 WeakPolarHBondContact O-CB 3.39Å; K453-E456 PolarHBondContact O-N 2.75Å; K453-W457 HydrophobicContact CB-CD2 4.26Å; K453-W457 HydrophobicContact CB-CE3 3.85Å; K453-W457 HydrophobicContact CB-CH2 3.73Å; K453-W457 HydrophobicContact CB-CZ2 4.16Å; K453-W457 HydrophobicContact CB-CZ3 3.58Å; K453-W457 HydrophobicContact CD-CH2 3.68Å; K453-W457 HydrophobicContact CD-CZ2 3.42Å; K453-W457 VanDerWaalsContact CD-CZ2 3.42Å; K453-W457 HydrophobicContact CD-CZ3 4.39Å; K453-W457 HydrophobicContact CG-CH2 3.51Å; K453-W457 HydrophobicContact CG-CZ2 3.84Å; K453-W457 HydrophobicContact CG-CZ3 3.93Å; K453-W457 PolarHBondContact O-N 3.24Å; K453-M513 PolarHBondContact NZ-O 3.06Å
454I98.6Very high97.5Very high0 Ų024.7 Ų24.70%015%0.145CC..Hα-helixtrans-60.5-45.5171.2-64.7168.3000110.2M419 W429 W450 A451 E456 W457 H458 A465 L468 A469 L472M419-I454 HydrophobicContact SD-CG1 4.37Å; M419-I454 HydrophobicContact SD-CG2 4.36Å; W429-I454 HydrophobicContact CZ2-CD1 4.03Å; W429-I454 HydrophobicContact CZ2-CG1 3.66Å; W450-I454 HydrophobicContact CD2-CD1 3.86Å; W450-I454 HydrophobicContact CE3-CD1 4Å; W450-I454 HydrophobicContact CH2-CD1 3.65Å; W450-I454 HydrophobicContact CZ2-CD1 3.5Å; W450-I454 HydrophobicContact CZ3-CD1 3.89Å; W450-I454 WeakPolarHBondContact O-CG1 3.34Å; W450-I454 PolarHBondContact O-N 2.65Å; W450-I454 VanDerWaalsContact O-N 3.14Å; A451-I454 PolarHBondContact O-N 2.68Å; I454-E456 VanDerWaalsContact C-N 3.32Å; I454-E456 PolarHBondContact O-N 3.45Å; I454-W457 PolarHBondContact O-N 2.88Å; I454-H458 WeakPolarHBondContact O-CB 3.34Å; I454-H458 PolarHBondContact O-N 3.04Å; I454-A465 HydrophobicContact CG2-CB 3.87Å; I454-A465 VanDerWaalsContact CG2-O 3.31Å; I454-A465 WeakPolarHBondContact CG2-O 3.18Å; I454-L468 HydrophobicContact CG2-CB 4.39Å; I454-L468 HydrophobicContact CG2-CD2 4.13Å; I454-A469 HydrophobicContact CD1-CB 3.85Å; I454-A469 HydrophobicContact CG2-CB 4.46Å; I454-L472 HydrophobicContact CD1-CD1 4.4Å
455L98.5Very high97.6Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-58.5-42.1173.5172.661.6000112.8L402 A451 K452 K453 P462 I493 F507 I510L402-L455 HydrophobicContact CD2-CD1 4.05Å; L402-L455 HydrophobicContact CD2-CD2 4.28Å; A451-L455 PolarHBondContact O-N 2.8Å; K452-L455 PolarHBondContact O-N 3.45Å; K453-L455 VanDerWaalsContact C-N 3.34Å; K453-L455 PolarHBondContact O-N 2.89Å; L455-P462 HydrophobicContact CD1-CB 3.84Å; L455-P462 HydrophobicContact CD1-CG 3.99Å; L455-I493 HydrophobicContact CB-CG1 4.17Å; L455-I493 HydrophobicContact CB-CG2 4.27Å; L455-I493 HydrophobicContact CD1-CG2 4.2Å; L455-I493 HydrophobicContact CD2-CG2 4.32Å; L455-I493 HydrophobicContact CG-CG2 4.5Å; L455-F507 HydrophobicContact CD2-CD1 3.82Å; L455-F507 HydrophobicContact CD2-CE1 4.19Å; L455-F507 HydrophobicContact CG-CD1 4.33Å; L455-F507 HydrophobicContact CG-CE1 4.43Å; L455-I510 HydrophobicContact CD2-CB 4.37Å; L455-I510 HydrophobicContact CD2-CG2 4.09Å
456E98.4Very high97.7Very high42 Ų4222.2 Ų22.220%0.19612%0.124CC..Hα-helixtrans-64.8-39.8-178.2-164.4178.3147.400113R410 K452 K453 I454 F507R410-E456 WeakPolarHBondContact CG-O 3.13Å; K452-E456 PolarHBondContact O-N 2.91Å; K452-E456 VanDerWaalsContact O-N 3.09Å; K453-E456 WeakPolarHBondContact CD-OE2 3.04Å; K453-E456 IonicContact NZ-OE1 2.75Å; K453-E456 PolarHBondContact NZ-OE1 3.24Å; K453-E456 IonicContact NZ-OE2 3.44Å; K453-E456 PolarHBondContact NZ-OE2 3.46Å; K453-E456 WeakPolarHBondContact O-CB 3.39Å; K453-E456 PolarHBondContact O-N 2.75Å; I454-E456 VanDerWaalsContact C-N 3.32Å; I454-E456 PolarHBondContact O-N 3.45Å; E456-F507 HydrophobicContact CB-CE1 4.31Å; E456-F507 HydrophobicContact CB-CE2 4.05Å; E456-F507 HydrophobicContact CB-CZ 3.58Å; E456-F507 HydrophobicContact CG-CE2 3.65Å; E456-F507 HydrophobicContact CG-CZ 3.71Å; E456-F507 WeakPolarHBondContact OE2-CZ 3.4Å
457W98.5Very high97.6Very high9 Ų926.2 Ų26.23%0.03414%0.142CC..Hα-helixtrans-111.5-16.5-165.5-54.4-31.9000115.3P412 S413 Y414 D426 W429 K453 I454 E459P412-W457 HydrophobicContact CG-CD2 4.33Å; P412-W457 HydrophobicContact CG-CG 4.08Å; S413-W457 WeakPolarHBondContact CA-O 3.36Å; Y414-W457 HydrophobicContact CD2-CB 3.63Å; Y414-W457 HydrophobicContact CD2-CD2 4.12Å; Y414-W457 AromaticContact CD2-CE3 3.95Å; Y414-W457 HydrophobicContact CD2-CE3 3.95Å; Y414-W457 HydrophobicContact CD2-CG 4.03Å; Y414-W457 HydrophobicContact CE2-CB 4.24Å; Y414-W457 AromaticContact CE2-CD2 3.97Å; Y414-W457 HydrophobicContact CE2-CD2 3.97Å; Y414-W457 AromaticContact CE2-CE3 3.88Å; Y414-W457 HydrophobicContact CE2-CE3 3.88Å; Y414-W457 HydrophobicContact CE2-CG 4.15Å; Y414-W457 PolarHBondContact N-O 2.9Å; D426-W457 HydrophobicContact CB-CH2 3.39Å; D426-W457 HydrophobicContact CB-CZ2 4.22Å; D426-W457 HydrophobicContact CB-CZ3 4.01Å; D426-W457 WeakPolarHBondContact OD2-CH2 3.49Å; W429-W457 HydrophobicContact CB-CH2 4.18Å; W429-W457 HydrophobicContact CB-CZ3 3.94Å; W429-W457 AromaticContact CD1-CZ3 3.92Å; W429-W457 HydrophobicContact CD2-CZ3 4.2Å; W429-W457 HydrophobicContact CG-CH2 4.35Å; W429-W457 AromaticContact CG-CZ3 3.73Å; W429-W457 HydrophobicContact CG-CZ3 3.73Å; K453-W457 HydrophobicContact CB-CD2 4.26Å; K453-W457 HydrophobicContact CB-CE3 3.85Å; K453-W457 HydrophobicContact CB-CH2 3.73Å; K453-W457 HydrophobicContact CB-CZ2 4.16Å; K453-W457 HydrophobicContact CB-CZ3 3.58Å; K453-W457 HydrophobicContact CD-CH2 3.68Å; K453-W457 HydrophobicContact CD-CZ2 3.42Å; K453-W457 VanDerWaalsContact CD-CZ2 3.42Å; K453-W457 HydrophobicContact CD-CZ3 4.39Å; K453-W457 HydrophobicContact CG-CH2 3.51Å; K453-W457 HydrophobicContact CG-CZ2 3.84Å; K453-W457 HydrophobicContact CG-CZ3 3.93Å; K453-W457 PolarHBondContact O-N 3.24Å; I454-W457 PolarHBondContact O-N 2.88Å; W457-E459 PolarHBondContact O-N 3.19Å; W457-E459 VanDerWaalsContact O-N 3.14Å
458H98.2Very high97.5Very high1 Ų123.9 Ų23.91%0.00513%0.133CC..BIsolated β-bridgetrans-63.1118.6-176.6-166.3-47000111.3R410 E416 M419 I454 S460 G461 A464 A465R410-H458 WeakPolarHBondContact CD-O 3.22Å; R410-H458 PolarHBondContact NE-O 2.58Å; E416-H458 WeakPolarHBondContact CG-NE2 3.49Å; E416-H458 IonicContact OE1-CE1 3.84Å; E416-H458 IonicContact OE1-NE2 2.64Å; E416-H458 PolarHBondContact OE1-NE2 2.95Å; M419-H458 HydrophobicContact CE-CB 3.91Å; I454-H458 WeakPolarHBondContact O-CB 3.34Å; I454-H458 PolarHBondContact O-N 3.04Å; H458-S460 VanDerWaalsContact C-N 3.31Å; H458-S460 PolarHBondContact ND1-N 3.32Å; H458-S460 PolarHBondContact O-N 2.83Å; H458-G461 PolarHBondContact O-N 3.29Å; H458-A464 WeakPolarHBondContact CE1-CB 3.4Å; H458-A465 HydrophobicContact CB-CB 3.79Å; H458-A465 VanDerWaalsContact CD2-CA 3.5Å; H458-A465 WeakPolarHBondContact CD2-CA 3.31Å; H458-A465 PolarHBondContact CD2-N 3.38Å
459E96Very high97.5Very high100 Ų10021.5 Ų21.547%0.46712%0.121SC..THydrogen-bonded Turntrans-58.2-39.5-17166.1-171.2-173.800114S413 Y414 S415 W457 G461S413-E459 WeakPolarHBondContact OG-CA 3.06Å; S413-E459 WeakPolarHBondContact OG-CB 3.48Å; Y414-E459 PolarHBondContact O-N 2.74Å; S415-E459 WeakPolarHBondContact CA-OE1 3.4Å; S415-E459 WeakPolarHBondContact CB-OE1 3.36Å; W457-E459 PolarHBondContact O-N 3.19Å; W457-E459 VanDerWaalsContact O-N 3.14Å; E459-G461 VanDerWaalsContact C-N 3.27Å; E459-G461 PolarHBondContact O-N 3.35Å
460S96Very high97.4Very high84 Ų8422 Ų2259%0.58712%0.124SC*.THydrogen-bonded Turntrans-81.37.8179.4-52.70000115.4H458H458-S460 VanDerWaalsContact C-N 3.31Å; H458-S460 PolarHBondContact ND1-N 3.32Å; H458-S460 PolarHBondContact O-N 2.83Å
461G95.8Very high97.2Very high1 Ų124 Ų241%0.0113%0.132CC..  trans84.3-169.8171.400000116.6H458 E459 S463 A464 A465H458-G461 PolarHBondContact O-N 3.29Å; E459-G461 VanDerWaalsContact C-N 3.27Å; E459-G461 PolarHBondContact O-N 3.35Å; G461-S463 PolarHBondContact O-N 3.03Å; G461-A464 PolarHBondContact O-N 3.44Å; G461-A465 WeakPolarHBondContact O-CB 3.47Å; G461-A465 PolarHBondContact O-N 3.21Å
462P97.7Very high97.1Very high6 Ų623.9 Ų23.94%0.03913%0.131CC..Hα-helixtrans-62.9-39.2-163.5-2736.8000115.3I391 L402 L455 A464 A465 L466I391-P462 HydrophobicContact CD1-CB 3.89Å; L402-P462 HydrophobicContact CB-CB 4.36Å; L402-P462 HydrophobicContact CB-CG 4.44Å; L402-P462 HydrophobicContact CD2-CB 4.02Å; L402-P462 HydrophobicContact CD2-CG 4.13Å; L455-P462 HydrophobicContact CD1-CB 3.84Å; L455-P462 HydrophobicContact CD1-CG 3.99Å; P462-A464 VanDerWaalsContact C-N 3.35Å; P462-A465 WeakPolarHBondContact O-CB 3.25Å; P462-A465 PolarHBondContact O-N 3.15Å; P462-L466 WeakPolarHBondContact O-CB 3.31Å; P462-L466 PolarHBondContact O-N 3.08Å
463S95.4Very high97Very high83 Ų8324.2 Ų24.258%0.5813%0.133SC*.Hα-helixtrans-66.2-39.4179.9-57.80000111.8I391 G461 K467I391-S463 WeakPolarHBondContact CD1-OG 3.38Å; G461-S463 PolarHBondContact O-N 3.03Å; S463-K467 WeakPolarHBondContact O-CB 3.5Å; S463-K467 PolarHBondContact O-N 3.36Å; S463-K467 VanDerWaalsContact O-N 3.08Å
464A95.5Very high96.8Very high18 Ų1824 Ų2415%0.14913%0.132CC..Hα-helixtrans-71-41.117600000111.1H458 G461 P462 L466 K467 L468H458-A464 WeakPolarHBondContact CE1-CB 3.4Å; G461-A464 PolarHBondContact O-N 3.44Å; P462-A464 VanDerWaalsContact C-N 3.35Å; A464-L466 VanDerWaalsContact C-N 3.35Å; A464-L466 PolarHBondContact O-N 3.27Å; A464-K467 PolarHBondContact O-N 3.44Å; A464-L468 WeakPolarHBondContact O-CB 3.39Å; A464-L468 PolarHBondContact O-N 2.82Å
465A97.7Very high96.6Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-54.7-48171.700000112.8I454 H458 G461 P462 L468 A469I454-A465 HydrophobicContact CG2-CB 3.87Å; I454-A465 VanDerWaalsContact CG2-O 3.31Å; I454-A465 WeakPolarHBondContact CG2-O 3.18Å; H458-A465 HydrophobicContact CB-CB 3.79Å; H458-A465 VanDerWaalsContact CD2-CA 3.5Å; H458-A465 WeakPolarHBondContact CD2-CA 3.31Å; H458-A465 PolarHBondContact CD2-N 3.38Å; G461-A465 WeakPolarHBondContact O-CB 3.47Å; G461-A465 PolarHBondContact O-N 3.21Å; P462-A465 WeakPolarHBondContact O-CB 3.25Å; P462-A465 PolarHBondContact O-N 3.15Å; A465-L468 PolarHBondContact O-N 2.88Å; A465-A469 WeakPolarHBondContact O-CB 3.49Å; A465-A469 PolarHBondContact O-N 2.94Å
466L97.6Very high96.5Very high5 Ų525.6 Ų25.63%0.02614%0.138CC..Hα-helixtrans-60.9-48.1177.5177.558.1000111.2I391 P462 A464 L468 A469 L470 V489 M490 I493I391-L466 HydrophobicContact CG1-CD2 4Å; P462-L466 WeakPolarHBondContact O-CB 3.31Å; P462-L466 PolarHBondContact O-N 3.08Å; A464-L466 VanDerWaalsContact C-N 3.35Å; A464-L466 PolarHBondContact O-N 3.27Å; L466-L468 PolarHBondContact O-N 2.97Å; L466-A469 PolarHBondContact O-N 2.8Å; L466-L470 HydrophobicContact CD1-CD1 3.88Å; L466-L470 HydrophobicContact CD1-CG 4.07Å; L466-L470 HydrophobicContact CG-CD1 4.01Å; L466-L470 WeakPolarHBondContact O-CG 3.42Å; L466-L470 PolarHBondContact O-N 3.49Å; L466-V489 HydrophobicContact CD1-CG1 3.6Å; L466-M490 HydrophobicContact CD1-SD 3.7Å; L466-M490 HydrophobicContact CD2-SD 3.9Å; L466-M490 HydrophobicContact CG-SD 4.45Å; L466-I493 HydrophobicContact CB-CG2 4.24Å
467K95.8Very high96.5Very high84 Ų8423.6 Ų23.637%0.36513%0.129SC..Hα-helixtrans-58.3-47178.6-176.4-171.5169.5-1510111.5S463 A464 Y471S463-K467 WeakPolarHBondContact O-CB 3.5Å; S463-K467 PolarHBondContact O-N 3.36Å; S463-K467 VanDerWaalsContact O-N 3.08Å; A464-K467 PolarHBondContact O-N 3.44Å; K467-Y471 WeakPolarHBondContact O-CB 3.48Å; K467-Y471 PolarHBondContact O-N 3.39Å
468L96.6Very high96.4Very high3 Ų323.2 Ų23.22%0.01613%0.128CC..Hα-helixtrans-63.3-45.2178.9179.963.7000111.7E416 M419 I420 I454 A464 A465 L466 L470 Y471 L472E416-L468 HydrophobicContact CB-CD1 4.47Å; E416-L468 HydrophobicContact CG-CD1 4.43Å; E416-L468 HydrophobicContact CG-CD2 4.32Å; M419-L468 HydrophobicContact CB-CD2 3.92Å; M419-L468 HydrophobicContact CE-CD2 3.42Å; M419-L468 VanDerWaalsContact CE-CD2 3.42Å; M419-L468 HydrophobicContact SD-CD2 3.88Å; I420-L468 HydrophobicContact CD1-CD1 4.09Å; I420-L468 HydrophobicContact CG1-CD1 3.85Å; I454-L468 HydrophobicContact CG2-CB 4.39Å; I454-L468 HydrophobicContact CG2-CD2 4.13Å; A464-L468 WeakPolarHBondContact O-CB 3.39Å; A464-L468 PolarHBondContact O-N 2.82Å; A465-L468 PolarHBondContact O-N 2.88Å; L466-L468 PolarHBondContact O-N 2.97Å; L468-L470 PolarHBondContact O-N 3.42Å; L468-Y471 HydrophobicContact CD1-CD1 4.38Å; L468-Y471 PolarHBondContact O-N 3.19Å; L468-L472 HydrophobicContact CD1-CD1 3.91Å; L468-L472 HydrophobicContact CD1-CG 3.97Å; L468-L472 HydrophobicContact CD2-CD1 4.48Å; L468-L472 HydrophobicContact CG-CD1 3.9Å; L468-L472 HydrophobicContact CG-CG 4.32Å; L468-L472 WeakPolarHBondContact O-CB 3.3Å; L468-L472 WeakPolarHBondContact O-CG 3.45Å; L468-L472 PolarHBondContact O-N 3.09Å
469A97.9Very high96.4Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-64.5-41-179.400000112.4W450 I454 A465 L466 N473 V489 I493W450-A469 HydrophobicContact CH2-CB 4.1Å; W450-A469 VanDerWaalsContact CH2-O 3.3Å; W450-A469 WeakPolarHBondContact CH2-O 3.37Å; W450-A469 HydrophobicContact CZ3-CB 3.97Å; I454-A469 HydrophobicContact CD1-CB 3.85Å; I454-A469 HydrophobicContact CG2-CB 4.46Å; A465-A469 WeakPolarHBondContact O-CB 3.49Å; A465-A469 PolarHBondContact O-N 2.94Å; L466-A469 PolarHBondContact O-N 2.8Å; A469-N473 VanDerWaalsContact O-CB 3.31Å; A469-N473 WeakPolarHBondContact O-CB 3.5Å; A469-N473 PolarHBondContact O-N 3.5Å; A469-V489 HydrophobicContact CB-CG1 3.63Å; A469-V489 HydrophobicContact CB-CG2 4.38Å; A469-I493 HydrophobicContact CB-CD1 3.62Å
470L96Very high96.2Very high10 Ų1019.3 Ų19.35%0.05211%0.111CC..Hα-helixtrans-64.7-46.7174.3-70.9170.6000111.3D389 L466 L468 L472 N473 D474 F486 V489D389-L470 HydrophobicContact CB-CD1 3.82Å; D389-L470 WeakPolarHBondContact O-CD1 3.24Å; L466-L470 HydrophobicContact CD1-CD1 3.88Å; L466-L470 HydrophobicContact CD1-CG 4.07Å; L466-L470 HydrophobicContact CG-CD1 4.01Å; L466-L470 WeakPolarHBondContact O-CG 3.42Å; L466-L470 PolarHBondContact O-N 3.49Å; L468-L470 PolarHBondContact O-N 3.42Å; L470-L472 PolarHBondContact O-N 3.45Å; L470-N473 PolarHBondContact O-N 3.23Å; L470-D474 WeakPolarHBondContact O-CB 3.47Å; L470-D474 PolarHBondContact O-N 3Å; L470-F486 HydrophobicContact CD2-CD1 3.75Å; L470-F486 HydrophobicContact CD2-CE1 4.39Å; L470-V489 HydrophobicContact CD2-CB 3.91Å; L470-V489 HydrophobicContact CD2-CG1 4.05Å; L470-V489 HydrophobicContact CD2-CG2 4.15Å; L470-V489 HydrophobicContact CG-CB 4.48Å; L470-V489 HydrophobicContact CG-CG1 4.09Å
471Y95.3Very high96Very high46 Ų4615.9 Ų15.918%0.189%0.086CC..Hα-helixtrans-56.4-52.5177.2166.9-110.3000111.9K467 L468 N473 D474 H475K467-Y471 WeakPolarHBondContact O-CB 3.48Å; K467-Y471 PolarHBondContact O-N 3.39Å; L468-Y471 HydrophobicContact CD1-CD1 4.38Å; L468-Y471 PolarHBondContact O-N 3.19Å; Y471-N473 VanDerWaalsContact C-N 3.33Å; Y471-N473 PolarHBondContact O-N 3.4Å; Y471-D474 PolarHBondContact O-N 3.34Å; Y471-H475 HydrophobicContact CD2-CB 4.22Å; Y471-H475 HydrophobicContact CE2-CB 3.89Å; Y471-H475 AromaticContact CE2-CG 3.88Å; Y471-H475 AromaticContact CE2-ND1 3.81Å; Y471-H475 WeakPolarHBondContact O-CB 3.21Å; Y471-H475 PolarHBondContact O-N 3Å
472L96.3Very high96Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-63.8-38.5-178.4-70.5177000112.2I420 W450 I454 L468 L470 Y476I420-L472 HydrophobicContact CG1-CD2 4.05Å; W450-L472 HydrophobicContact CH2-CB 3.66Å; W450-L472 HydrophobicContact CH2-CD1 4.31Å; W450-L472 HydrophobicContact CZ2-CB 3.45Å; W450-L472 VanDerWaalsContact CZ2-CB 3.45Å; W450-L472 HydrophobicContact CZ2-CD1 3.55Å; W450-L472 HydrophobicContact CZ2-CG 4.14Å; I454-L472 HydrophobicContact CD1-CD1 4.4Å; L468-L472 HydrophobicContact CD1-CD1 3.91Å; L468-L472 HydrophobicContact CD1-CG 3.97Å; L468-L472 HydrophobicContact CD2-CD1 4.48Å; L468-L472 HydrophobicContact CG-CD1 3.9Å; L468-L472 HydrophobicContact CG-CG 4.32Å; L468-L472 WeakPolarHBondContact O-CB 3.3Å; L468-L472 WeakPolarHBondContact O-CG 3.45Å; L468-L472 PolarHBondContact O-N 3.09Å; L470-L472 PolarHBondContact O-N 3.45Å; L472-Y476 HydrophobicContact CD2-CD2 3.98Å; L472-Y476 HydrophobicContact CD2-CE2 3.56Å; L472-Y476 WeakPolarHBondContact O-CB 3.34Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 PolarHBondContact O-N 3.13Å
473N96.5Very high96Very high8 Ų816 Ų164%0.0439%0.086CC..Hα-helixtrans-62.3-48.8175.3-179.583.6000110.9R447 A469 L470 Y471 A477R447-N473 PolarHBondContact NH1-OD1 3.14Å; A469-N473 VanDerWaalsContact O-CB 3.31Å; A469-N473 WeakPolarHBondContact O-CB 3.5Å; A469-N473 PolarHBondContact O-N 3.5Å; L470-N473 PolarHBondContact O-N 3.23Å; Y471-N473 VanDerWaalsContact C-N 3.33Å; Y471-N473 PolarHBondContact O-N 3.4Å; N473-A477 WeakPolarHBondContact O-CA 3.41Å; N473-A477 WeakPolarHBondContact O-CB 3.2Å; N473-A477 PolarHBondContact O-N 3.42Å
474D94.7Very high96Very high3 Ų314.7 Ų14.72%0.0167%0.073CC..Hα-helixtrans-78.2-32.1-171-63.6-12.3000112.7H118 R162 L470 Y471 S481H118-D474 PolarHBondContact CE1-O 2.93Å; R162-D474 IonicContact CZ-OD2 3.22Å; R162-D474 IonicContact NH1-OD2 3.61Å; R162-D474 PolarHBondContact NH1-OD2 3.06Å; R162-D474 IonicContact NH2-OD2 3.56Å; R162-D474 PolarHBondContact NH2-OD2 2.92Å; L470-D474 WeakPolarHBondContact O-CB 3.47Å; L470-D474 PolarHBondContact O-N 3Å; Y471-D474 PolarHBondContact O-N 3.34Å; D474-S481 VanDerWaalsContact CG-N 3.34Å; D474-S481 PolarHBondContact OD1-N 3.21Å
475H94.6Very high96.1Very high6 Ų614 Ų143%0.0287%0.068CC..Hα-helixtrans-75-36.7178.2-165.282.4000112.2E114 T115 H118 D289 Y471E114-H475 IonicContact OE2-ND1 3.21Å; T115-H475 WeakPolarHBondContact CG2-O 3.33Å; H118-H475 PolarHBondContact CE1-O 3.37Å; H118-H475 VanDerWaalsContact CE1-O 3.23Å; D289-H475 IonicContact OD2-CE1 3.94Å; D289-H475 PolarHBondContact OD2-CE1 2.98Å; D289-H475 IonicContact OD2-NE2 2.89Å; D289-H475 PolarHBondContact OD2-NE2 3.15Å; Y471-H475 HydrophobicContact CD2-CB 4.22Å; Y471-H475 HydrophobicContact CE2-CB 3.89Å; Y471-H475 AromaticContact CE2-CG 3.88Å; Y471-H475 AromaticContact CE2-ND1 3.81Å; Y471-H475 WeakPolarHBondContact O-CB 3.21Å; Y471-H475 PolarHBondContact O-N 3Å
476Y96.6Very high96Very high29 Ų2914 Ų1411%0.1147%0.068CC..Hα-helixtrans-105.9-37.4-173.7-65.7-68.2000114.7R117 V292 V437 G440 L472R117-Y476 PolarHBondContact NH1-O 3.29Å; V292-Y476 HydrophobicContact CG1-CD1 4.21Å; V292-Y476 HydrophobicContact CG2-CD1 3.81Å; V292-Y476 HydrophobicContact CG2-CE1 3.56Å; V437-Y476 HydrophobicContact CB-CD1 4.28Å; V437-Y476 HydrophobicContact CB-CE1 4.37Å; V437-Y476 HydrophobicContact CG1-CD1 4.24Å; V437-Y476 HydrophobicContact CG1-CE1 4Å; V437-Y476 HydrophobicContact CG2-CD1 4Å; V437-Y476 HydrophobicContact CG2-CD2 4.09Å; V437-Y476 HydrophobicContact CG2-CE1 3.93Å; V437-Y476 HydrophobicContact CG2-CE2 4.04Å; V437-Y476 HydrophobicContact CG2-CG 4.08Å; G440-Y476 VanDerWaalsContact CA-O 3.27Å; G440-Y476 WeakPolarHBondContact CA-O 3.49Å; L472-Y476 HydrophobicContact CD2-CD2 3.98Å; L472-Y476 HydrophobicContact CD2-CE2 3.56Å; L472-Y476 WeakPolarHBondContact O-CB 3.34Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 PolarHBondContact O-N 3.13Å
477A97.6Very high96.1Very high0 Ų014.2 Ų14.20%07%0.07CC..  trans-77.3135.7-17300000111.1H118 L436 G440 N473 D479 G480H118-A477 PolarHBondContact NE2-O 2.97Å; L436-A477 HydrophobicContact CD1-CB 3.71Å; G440-A477 CarbonylContact O-C 3.5Å; G440-A477 WeakPolarHBondContact O-CA 3.48Å; N473-A477 WeakPolarHBondContact O-CA 3.41Å; N473-A477 WeakPolarHBondContact O-CB 3.2Å; N473-A477 PolarHBondContact O-N 3.42Å; A477-D479 VanDerWaalsContact CB-OD1 3.29Å; A477-D479 WeakPolarHBondContact CB-OD1 3.5Å; A477-D479 PolarHBondContact O-N 3.34Å; A477-G480 PolarHBondContact O-N 3.18Å
478L97.5Very high96.2Very high1 Ų111.9 Ų11.91%0.0057%0.069CC..THydrogen-bonded Turntrans-62-25.2174.1-79.6169.9000113.2R117 F121 V295 W297 A298 P337 H340 Y341 G440R117-L478 HydrophobicContact CG-CD2 3.56Å; R117-L478 HydrophobicContact CG-CG 4.2Å; F121-L478 HydrophobicContact CB-CD2 3.92Å; F121-L478 HydrophobicContact CD2-CD1 4.48Å; F121-L478 HydrophobicContact CD2-CD2 4.3Å; F121-L478 HydrophobicContact CG-CD2 4.09Å; V295-L478 HydrophobicContact CG1-CD1 4.22Å; V295-L478 HydrophobicContact CG2-CD1 3.59Å; W297-L478 HydrophobicContact CZ2-CD1 4.22Å; A298-L478 HydrophobicContact CB-CD1 4.22Å; P337-L478 HydrophobicContact CB-CB 3.95Å; P337-L478 HydrophobicContact CB-CD1 4.37Å; P337-L478 HydrophobicContact CG-CB 3.88Å; P337-L478 HydrophobicContact CG-CD1 4.16Å; H340-L478 PolarHBondContact CD2-O 2.91Å; Y341-L478 WeakPolarHBondContact CE2-O 3.26Å; G440-L478 PolarHBondContact O-N 3.04Å
479D96.5Very high96.2Very high17 Ų1712 Ų129%0.0917%0.07CC..THydrogen-bonded Turntrans-103.621.7175.263.7-2.7000112.1S336 H340 R447 A477S336-D479 WeakPolarHBondContact CB-OD2 3.49Å; S336-D479 PolarHBondContact OG-OD2 2.79Å; H340-D479 HydrophobicContact CB-CB 4.13Å; R447-D479 IonicContact CZ-OD1 3.54Å; R447-D479 IonicContact CZ-OD2 2.74Å; R447-D479 IonicContact NH1-OD1 3.8Å; R447-D479 PolarHBondContact NH1-OD1 2.59Å; R447-D479 VanDerWaalsContact NH1-OD1 3.15Å; R447-D479 IonicContact NH1-OD2 3.98Å; R447-D479 IonicContact NH2-OD1 3.07Å; R447-D479 PolarHBondContact NH2-OD1 3.43Å; R447-D479 IonicContact NH2-OD2 2.76Å; R447-D479 PolarHBondContact NH2-OD2 3.28Å; A477-D479 VanDerWaalsContact CB-OD1 3.29Å; A477-D479 WeakPolarHBondContact CB-OD1 3.5Å; A477-D479 PolarHBondContact O-N 3.34Å
480G92.8Very high96.3Very high2 Ų212 Ų122%0.0217%0.07CC..THydrogen-bonded Turntrans-67.4163.5169.500000111.8H340 A477 D482H340-G480 PolarHBondContact CE1-O 3.1Å; H340-G480 PolarHBondContact ND1-O 2.9Å; H340-G480 PolarHBondContact NE2-O 3.39Å; A477-G480 PolarHBondContact O-N 3.18Å; G480-D482 PolarHBondContact O-N 2.93Å; G480-D482 VanDerWaalsContact O-N 3.09Å
481S90.5Very high96.4Very high11 Ų1113.9 Ų13.98%0.0778%0.076CC..THydrogen-bonded Turntrans53.929.7-177.1-64.30000113.7R162 L200 D474R162-S481 PolarHBondContact NH2-OG 3.49Å; L200-S481 VanDerWaalsContact CD1-O 3.22Å; L200-S481 WeakPolarHBondContact CD1-O 3.44Å; D474-S481 VanDerWaalsContact CG-N 3.34Å; D474-S481 PolarHBondContact OD1-N 3.21Å
482D95.7Very high96.6Very high9 Ų911.7 Ų11.75%0.0487%0.068CC..SBendtrans-106.3147.9169.6-173.7-100.8000109.5R77 H340 G480 N484 G485 F486R77-D482 IonicContact CZ-OD2 3.98Å; R77-D482 IonicContact NH2-OD2 3.83Å; R77-D482 PolarHBondContact NH2-OD2 3.44Å; H340-D482 WeakPolarHBondContact ND1-CB 3.19Å; H340-D482 IonicContact ND1-OD2 2.64Å; G480-D482 PolarHBondContact O-N 2.93Å; G480-D482 VanDerWaalsContact O-N 3.09Å; D482-N484 PolarHBondContact O-N 3.46Å; D482-N484 VanDerWaalsContact OD1-CB 3.26Å; D482-N484 WeakPolarHBondContact OD1-CB 3.34Å; D482-N484 PolarHBondContact OD1-N 2.91Å; D482-N484 PolarHBondContact OD1-ND2 3.48Å; D482-G485 WeakPolarHBondContact O-CA 3.41Å; D482-G485 PolarHBondContact O-N 2.85Å; D482-F486 WeakPolarHBondContact O-CD2 3.46Å; D482-F486 PolarHBondContact O-N 3.45Å; D482-F486 VanDerWaalsContact O-N 3.1Å
483P97.8Very high96.7Very high0 Ų011.7 Ų11.70%07%0.068CC..Hα-helixtrans-44.9-38.4170.4-34.638.4000114.3F198 P199 L200 D379 C382 F486 V487F198-P483 HydrophobicContact CE2-CG 4.5Å; P199-P483 HydrophobicContact CG-CG 3.73Å; L200-P483 HydrophobicContact CD2-CG 4.03Å; D379-P483 WeakPolarHBondContact OD1-CB 3.42Å; D379-P483 WeakPolarHBondContact OD1-CG 3.17Å; C382-P483 HydrophobicContact CB-CB 4.26Å; C382-P483 HydrophobicContact CB-CG 4.32Å; P483-F486 PolarHBondContact O-N 3.42Å; P483-V487 WeakPolarHBondContact O-CB 3.47Å; P483-V487 WeakPolarHBondContact O-CG2 3.41Å; P483-V487 PolarHBondContact O-N 2.78Å
484N97.3Very high96.8Very high56 Ų5611.3 Ų11.330%0.2997%0.066SC..Hα-helixtrans-68.9-33175.7-66.5-69.4000113.6R375 S378 D482 G488R375-N484 WeakPolarHBondContact CA-OD1 3.47Å; R375-N484 WeakPolarHBondContact CG-ND2 3.33Å; S378-N484 VanDerWaalsContact CB-OD1 3.27Å; S378-N484 WeakPolarHBondContact CB-OD1 3.13Å; S378-N484 PolarHBondContact OG-OD1 3.11Å; D482-N484 PolarHBondContact O-N 3.46Å; D482-N484 VanDerWaalsContact OD1-CB 3.26Å; D482-N484 WeakPolarHBondContact OD1-CB 3.34Å; D482-N484 PolarHBondContact OD1-N 2.91Å; D482-N484 PolarHBondContact OD1-ND2 3.48Å; N484-G488 WeakPolarHBondContact O-CA 3.36Å; N484-G488 PolarHBondContact O-N 2.72Å
485G96Very high96.9Very high5 Ų511.3 Ų11.35%0.0527%0.066CC..Hα-helixtrans-61.7-52.8172.600000110.7D482 V487 G488 V489D482-G485 WeakPolarHBondContact O-CA 3.41Å; D482-G485 PolarHBondContact O-N 2.85Å; G485-V487 PolarHBondContact O-N 3.05Å; G485-G488 PolarHBondContact O-N 3.31Å; G485-V489 PolarHBondContact O-N 3.02Å; G485-V489 VanDerWaalsContact O-N 3.16Å
486F97Very high97.1Very high0 Ų011 Ų110%07%0.065CC..Hα-helixtrans-56.2-53.7175.6-69.5-77.5000112R162 L200 Y388 D389 L470 D482 P483 G488 V489 M490R162-F486 VanDerWaalsContact NH1-CZ 3.35Å; L200-F486 HydrophobicContact CD1-CE2 3.81Å; L200-F486 HydrophobicContact CD2-CD2 3.88Å; L200-F486 HydrophobicContact CD2-CE2 3.55Å; L200-F486 HydrophobicContact CD2-CZ 4.38Å; L200-F486 HydrophobicContact CG-CE2 4.36Å; Y388-F486 HydrophobicContact CD2-CB 4.38Å; Y388-F486 AromaticContact CD2-CD1 3.77Å; Y388-F486 HydrophobicContact CD2-CD1 3.77Å; Y388-F486 HydrophobicContact CD2-CD2 4.35Å; Y388-F486 AromaticContact CD2-CE1 3.98Å; Y388-F486 HydrophobicContact CD2-CE1 3.98Å; Y388-F486 AromaticContact CD2-CG 3.94Å; Y388-F486 HydrophobicContact CD2-CG 3.94Å; Y388-F486 HydrophobicContact CD2-CZ 4.42Å; Y388-F486 AromaticContact CE2-CD1 3.82Å; Y388-F486 HydrophobicContact CE2-CD1 3.82Å; Y388-F486 HydrophobicContact CE2-CD2 4.18Å; Y388-F486 AromaticContact CE2-CE1 3.53Å; Y388-F486 HydrophobicContact CE2-CE1 3.53Å; Y388-F486 HydrophobicContact CE2-CE2 4.02Å; Y388-F486 HydrophobicContact CE2-CG 4.11Å; Y388-F486 AromaticContact CE2-CZ 3.66Å; Y388-F486 HydrophobicContact CE2-CZ 3.66Å; D389-F486 HydrophobicContact CB-CD1 3.67Å; D389-F486 HydrophobicContact CB-CE1 3.69Å; L470-F486 HydrophobicContact CD2-CD1 3.75Å; L470-F486 HydrophobicContact CD2-CE1 4.39Å; D482-F486 WeakPolarHBondContact O-CD2 3.46Å; D482-F486 PolarHBondContact O-N 3.45Å; D482-F486 VanDerWaalsContact O-N 3.1Å; P483-F486 PolarHBondContact O-N 3.42Å; F486-G488 VanDerWaalsContact C-N 3.31Å; F486-G488 PolarHBondContact O-N 3.48Å; F486-V489 PolarHBondContact O-N 3.21Å; F486-M490 WeakPolarHBondContact O-CB 3.46Å; F486-M490 VanDerWaalsContact O-CG 3.29Å; F486-M490 WeakPolarHBondContact O-CG 3.34Å; F486-M490 PolarHBondContact O-N 3.44Å
487V98.2Very high97.2Very high9 Ų910.3 Ų10.36%0.0556%0.063CC..Hα-helixtrans-67.4-32.1-176.6170.10000112F381 P483 G485 M490 W491 H497F381-V487 HydrophobicContact CB-CG2 3.9Å; F381-V487 HydrophobicContact CD1-CG2 3.42Å; F381-V487 VanDerWaalsContact CD1-CG2 3.42Å; F381-V487 HydrophobicContact CE1-CG2 4.2Å; F381-V487 HydrophobicContact CG-CG2 3.88Å; P483-V487 WeakPolarHBondContact O-CB 3.47Å; P483-V487 WeakPolarHBondContact O-CG2 3.41Å; P483-V487 PolarHBondContact O-N 2.78Å; G485-V487 PolarHBondContact O-N 3.05Å; V487-M490 PolarHBondContact O-N 3.15Å; V487-W491 WeakPolarHBondContact O-CB 3.41Å; V487-W491 PolarHBondContact O-N 3.5Å; V487-H497 WeakPolarHBondContact CG1-ND1 3.19Å
488G97.9Very high97.1Very high35 Ų3511.1 Ų11.136%0.3617%0.067SC..Hα-helixtrans-61.6-43.1173.200000112.5N484 G485 F486 S492N484-G488 WeakPolarHBondContact O-CA 3.36Å; N484-G488 PolarHBondContact O-N 2.72Å; G485-G488 PolarHBondContact O-N 3.31Å; F486-G488 VanDerWaalsContact C-N 3.31Å; F486-G488 PolarHBondContact O-N 3.48Å; G488-S492 WeakPolarHBondContact O-CB 3.26Å; G488-S492 PolarHBondContact O-N 3.26Å; G488-S492 PolarHBondContact O-OG 3.02Å
489V98.4Very high97Very high4 Ų416.2 Ų16.22%0.0249%0.091CC..Hα-helixtrans-70.1-46.1174.7177.90000110.8L466 A469 L470 G485 F486 W491 S492 I493L466-V489 HydrophobicContact CD1-CG1 3.6Å; A469-V489 HydrophobicContact CB-CG1 3.63Å; A469-V489 HydrophobicContact CB-CG2 4.38Å; L470-V489 HydrophobicContact CD2-CB 3.91Å; L470-V489 HydrophobicContact CD2-CG1 4.05Å; L470-V489 HydrophobicContact CD2-CG2 4.15Å; L470-V489 HydrophobicContact CG-CB 4.48Å; L470-V489 HydrophobicContact CG-CG1 4.09Å; G485-V489 PolarHBondContact O-N 3.02Å; G485-V489 VanDerWaalsContact O-N 3.16Å; F486-V489 PolarHBondContact O-N 3.21Å; V489-W491 PolarHBondContact O-N 3.22Å; V489-S492 WeakPolarHBondContact O-CA 3.32Å; V489-S492 WeakPolarHBondContact O-CB 3.24Å; V489-S492 PolarHBondContact O-N 2.89Å; V489-I493 HydrophobicContact CG1-CD1 3.9Å; V489-I493 HydrophobicContact CG1-CG1 4.4Å; V489-I493 PolarHBondContact O-N 3.36Å
490M98.5Very high97Very high0 Ų017.1 Ų17.10%010%0.104CC..Hα-helixtrans-64.4-35.6179.6-71.8-59.5-71.600113.3F381 Y388 S390 A394 L466 F486 V487 S492 C494 G495 V496F381-M490 HydrophobicContact CE1-CG 4.46Å; Y388-M490 WeakPolarHBondContact O-CG 3.38Å; S390-M490 WeakPolarHBondContact O-CE 3.33Å; A394-M490 HydrophobicContact CB-CE 4.39Å; L466-M490 HydrophobicContact CD1-SD 3.7Å; L466-M490 HydrophobicContact CD2-SD 3.9Å; L466-M490 HydrophobicContact CG-SD 4.45Å; F486-M490 WeakPolarHBondContact O-CB 3.46Å; F486-M490 VanDerWaalsContact O-CG 3.29Å; F486-M490 WeakPolarHBondContact O-CG 3.34Å; F486-M490 PolarHBondContact O-N 3.44Å; V487-M490 PolarHBondContact O-N 3.15Å; M490-S492 VanDerWaalsContact C-N 3.33Å; M490-C494 HydrophobicContact CE-CB 3.72Å; M490-C494 CarbonylContact O-C 3.58Å; M490-C494 WeakPolarHBondContact O-CA 2.95Å; M490-C494 VanDerWaalsContact O-CB 3.23Å; M490-C494 WeakPolarHBondContact O-CB 3.4Å; M490-C494 PolarHBondContact O-N 2.95Å; M490-C494 HydrophobicContact SD-CB 4.21Å; M490-G495 PolarHBondContact O-N 3.01Å; M490-V496 HydrophobicContact CB-CB 4.01Å; M490-V496 HydrophobicContact CB-CG2 3.88Å; M490-V496 HydrophobicContact CE-CG2 3.99Å; M490-V496 PolarHBondContact O-N 3.3Å
491W98.5Very high97.2Very high50 Ų5021.7 Ų21.719%0.18912%0.121CC..Hα-helixtrans-65.8-40.7170.9171.985.6000110.6M448 V487 V489 G495 V496M448-W491 HydrophobicContact CB-CH2 4.21Å; M448-W491 HydrophobicContact CB-CZ3 3.64Å; M448-W491 HydrophobicContact CG-CE3 4.19Å; M448-W491 HydrophobicContact CG-CH2 3.88Å; M448-W491 HydrophobicContact CG-CZ3 3.31Å; M448-W491 HydrophobicContact SD-CE3 4.37Å; M448-W491 HydrophobicContact SD-CH2 3.22Å; M448-W491 WeakPolarHBondContact SD-CH2 3.32Å; M448-W491 HydrophobicContact SD-CZ2 4.24Å; M448-W491 HydrophobicContact SD-CZ3 3.33Å; M448-W491 WeakPolarHBondContact SD-CZ3 3.25Å; V487-W491 WeakPolarHBondContact O-CB 3.41Å; V487-W491 PolarHBondContact O-N 3.5Å; V489-W491 PolarHBondContact O-N 3.22Å; W491-G495 PolarHBondContact O-N 3.47Å; W491-V496 WeakPolarHBondContact CA-O 3.42Å; W491-V496 WeakPolarHBondContact CB-O 3.17Å
492S98.6Very high97.5Very high1 Ų125 Ų251%0.00715%0.149CC..Hα-helixtrans-70.1-45.2-176.6-64.80000113A451 K452 G488 V489 M490A451-S492 VanDerWaalsContact CB-CB 3.43Å; K452-S492 WeakPolarHBondContact CG-O 3.37Å; K452-S492 PolarHBondContact NZ-O 3.11Å; G488-S492 WeakPolarHBondContact O-CB 3.26Å; G488-S492 PolarHBondContact O-N 3.26Å; G488-S492 PolarHBondContact O-OG 3.02Å; V489-S492 WeakPolarHBondContact O-CA 3.32Å; V489-S492 WeakPolarHBondContact O-CB 3.24Å; V489-S492 PolarHBondContact O-N 2.89Å; M490-S492 VanDerWaalsContact C-N 3.33Å
493I98.5Very high97.6Very high0 Ų029.8 Ų29.80%017%0.171CC..Hα-helixtrans-99.6-36.5-172.1-64.1-175.6000111.8A451 L455 L466 A469 V489A451-I493 HydrophobicContact CB-CG1 4.35Å; A451-I493 WeakPolarHBondContact O-CG1 3.4Å; L455-I493 HydrophobicContact CB-CG1 4.17Å; L455-I493 HydrophobicContact CB-CG2 4.27Å; L455-I493 HydrophobicContact CD1-CG2 4.2Å; L455-I493 HydrophobicContact CD2-CG2 4.32Å; L455-I493 HydrophobicContact CG-CG2 4.5Å; L466-I493 HydrophobicContact CB-CG2 4.24Å; A469-I493 HydrophobicContact CB-CD1 3.62Å; V489-I493 HydrophobicContact CG1-CD1 3.9Å; V489-I493 HydrophobicContact CG1-CG1 4.4Å; V489-I493 PolarHBondContact O-N 3.36Å
494C98.4Very high97.5Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-1146.5-172.5-57.60000114.2A394 A398 L402 M490 V496A394-C494 HydrophobicContact CB-CB 3.78Å; A398-C494 WeakPolarHBondContact CB-O 3.15Å; L402-C494 HydrophobicContact CD1-CB 4.39Å; M490-C494 HydrophobicContact CE-CB 3.72Å; M490-C494 CarbonylContact O-C 3.58Å; M490-C494 WeakPolarHBondContact O-CA 2.95Å; M490-C494 VanDerWaalsContact O-CB 3.23Å; M490-C494 WeakPolarHBondContact O-CB 3.4Å; M490-C494 PolarHBondContact O-N 2.95Å; M490-C494 HydrophobicContact SD-CB 4.21Å; C494-V496 HydrophobicContact CB-CG2 4.46Å; C494-V496 PolarHBondContact O-N 2.76Å
495G98.1Very high97.4Very high2 Ų238.3 Ų38.32%0.02121%0.212CC..  trans64.215.4174.700000115.1M490 W491 H497 D498M490-G495 PolarHBondContact O-N 3.01Å; W491-G495 PolarHBondContact O-N 3.47Å; G495-H497 PolarHBondContact O-N 2.77Å; G495-D498 PolarHBondContact O-N 3.29Å
496V98.3Very high97.5Very high0 Ų038.5 Ų38.50%021%0.213CC..THydrogen-bonded Turntrans-56.8132.7175.6166.80000109.7F381 A394 M490 W491 C494 D498F381-V496 HydrophobicContact CD2-CG1 3.67Å; F381-V496 HydrophobicContact CE1-CG1 4.35Å; F381-V496 HydrophobicContact CE2-CB 4.34Å; F381-V496 HydrophobicContact CE2-CG1 3.42Å; F381-V496 VanDerWaalsContact CE2-CG1 3.42Å; F381-V496 HydrophobicContact CE2-CG2 3.91Å; F381-V496 HydrophobicContact CG-CG1 4.29Å; F381-V496 HydrophobicContact CZ-CB 4.43Å; F381-V496 HydrophobicContact CZ-CG1 3.79Å; F381-V496 HydrophobicContact CZ-CG2 3.78Å; A394-V496 HydrophobicContact CB-CG2 4.32Å; M490-V496 HydrophobicContact CB-CB 4.01Å; M490-V496 HydrophobicContact CB-CG2 3.88Å; M490-V496 HydrophobicContact CE-CG2 3.99Å; M490-V496 PolarHBondContact O-N 3.3Å; W491-V496 WeakPolarHBondContact CA-O 3.42Å; W491-V496 WeakPolarHBondContact CB-O 3.17Å; C494-V496 HydrophobicContact CB-CG2 4.46Å; C494-V496 PolarHBondContact O-N 2.76Å; V496-D498 PolarHBondContact O-N 3.49Å
497H98.2Very high97.5Very high15 Ų1539.1 Ų39.17%0.06922%0.216CC..THydrogen-bonded Turntrans64.99.6-174.7-46.7140.3000116.4Y240 L377 F381 V487 G495Y240-H497 WeakPolarHBondContact O-CA 3.46Å; Y240-H497 PolarHBondContact O-CD2 2.94Å; L377-H497 HydrophobicContact CD2-CB 4.13Å; F381-H497 AromaticContact CD2-NE2 3.7Å; V487-H497 WeakPolarHBondContact CG1-ND1 3.19Å; G495-H497 PolarHBondContact O-N 2.77Å
498D96.8Very high97.5Very high16 Ų1638.7 Ų38.79%0.08621%0.213CC..SBendtrans-112.2177.2172.1-150-19.7000111Y240 G495 V496 W501 R511Y240-D498 PolarHBondContact OH-O 3.33Å; G495-D498 PolarHBondContact O-N 3.29Å; V496-D498 PolarHBondContact O-N 3.49Å; D498-W501 PolarHBondContact OD1-NE1 3.08Å; D498-R511 IonicContact OD1-CZ 3.91Å; D498-R511 IonicContact OD1-NH2 3.62Å; D498-R511 PolarHBondContact OD1-NH2 3.24Å; D498-R511 IonicContact OD2-CZ 2.76Å; D498-R511 IonicContact OD2-NE 3.63Å; D498-R511 PolarHBondContact OD2-NE 3.41Å; D498-R511 IonicContact OD2-NH2 2.63Å; D498-R511 PolarHBondContact OD2-NH2 3.33Å
499Q95.2Very high97.6Very high108 Ų10841.1 Ų41.151%0.50521%0.213SC..  trans-100.2162168.366.4-173.718.100110.6W501Q499-W501 HydrophobicContact CG-CZ2 3.98Å; Q499-W501 VanDerWaalsContact NE2-CZ2 3.3Å; Q499-W501 PolarHBondContact O-NE1 3.03Å
500G96.4Very high97.6Very high37 Ų3741 Ų4138%0.38121%0.213SC..  trans-67.7135.3168.100000111.2
501W97.2Very high97.5Very high98 Ų9845 Ų4537%0.37123%0.228SC..  trans-103.4174.3177.3-69.181.9000111.5D498 Q499 E503 K509 R511D498-W501 PolarHBondContact OD1-NE1 3.08Å; Q499-W501 HydrophobicContact CG-CZ2 3.98Å; Q499-W501 VanDerWaalsContact NE2-CZ2 3.3Å; Q499-W501 PolarHBondContact O-NE1 3.03Å; W501-E503 PolarHBondContact O-N 3.02Å; W501-K509 PolarHBondContact N-O 3.32Å; W501-K509 WeakPolarHBondContact O-CB 3.34Å; W501-K509 WeakPolarHBondContact O-CG 3.41Å; W501-R511 VanDerWaalsContact CE2-CZ 3.41Å; W501-R511 HydrophobicContact CG-CB 4.28Å
502A97Very high97.4Very high81 Ų8144 Ų4467%0.66923%0.228SC*.SBendtrans-54.7132.6171.400000110.2
503E96.9Very high97.4Very high109 Ų10945.3 Ų45.351%0.50923%0.234SC..  trans-65.8139.3-172.1-158.1167.4133.800111.8H405 W501 G508H405-E503 IonicContact CE1-OE1 3.45Å; H405-E503 IonicContact NE2-OE1 3.79Å; H405-E503 PolarHBondContact NE2-OE1 3.27Å; W501-E503 PolarHBondContact O-N 3.02Å; E503-G508 CarbonylContact C-O 3.59Å; E503-G508 WeakPolarHBondContact CA-O 3.38Å
504R96.3Very high97.3Very high131 Ų13148.4 Ų48.449%0.49425%0.253SS..BIsolated β-bridgetrans-138.8150.6178.6-65.6-176178.9-145.3-4.4110.2V506 F507 G508 C512R504-V506 PolarHBondContact O-N 3.17Å; R504-F507 HydrophobicContact CB-CB 4.41Å; R504-F507 PolarHBondContact O-N 2.88Å; R504-G508 PolarHBondContact N-O 3.22Å; R504-G508 WeakPolarHBondContact O-CA 3.21Å; R504-G508 PolarHBondContact O-N 3.05Å; R504-C512 PolarHBondContact NH1-SG 2.98Å
505P95.7Very high97.2Very high103 Ų10351.5 Ų51.567%0.66927%0.265SS*.THydrogen-bonded Turntrans-51.4142.9171.1-25.334.3000111.7F507P505-F507 PolarHBondContact O-N 3.14Å
506V97.5Very high97.2Very high10 Ų1059.7 Ų59.76%0.06130%0.3CS..THydrogen-bonded Turntrans66.5-45.8-177.1-177.50000114.6D408 R410 R504D408-V506 HydrophobicContact CB-CG2 3.88Å; D408-V506 PolarHBondContact OD2-N 2.93Å; R410-V506 HydrophobicContact CG-CG1 4.19Å; R410-V506 HydrophobicContact CG-CG2 3.91Å; R504-V506 PolarHBondContact O-N 3.17Å
507F97.9Very high97.1Very high13 Ų1361.5 Ų61.56%0.05732%0.32CS..THydrogen-bonded Turntrans-79.8-26.2-177.6-72.2-76000113.7K452 L455 E456 R504 P505 K509 I510 C512K452-F507 WeakPolarHBondContact O-CE1 3.46Å; L455-F507 HydrophobicContact CD2-CD1 3.82Å; L455-F507 HydrophobicContact CD2-CE1 4.19Å; L455-F507 HydrophobicContact CG-CD1 4.33Å; L455-F507 HydrophobicContact CG-CE1 4.43Å; E456-F507 HydrophobicContact CB-CE1 4.31Å; E456-F507 HydrophobicContact CB-CE2 4.05Å; E456-F507 HydrophobicContact CB-CZ 3.58Å; E456-F507 HydrophobicContact CG-CE2 3.65Å; E456-F507 HydrophobicContact CG-CZ 3.71Å; E456-F507 WeakPolarHBondContact OE2-CZ 3.4Å; R504-F507 HydrophobicContact CB-CB 4.41Å; R504-F507 PolarHBondContact O-N 2.88Å; P505-F507 PolarHBondContact O-N 3.14Å; F507-K509 PolarHBondContact O-N 2.62Å; F507-I510 VanDerWaalsContact O-CB 3.29Å; F507-I510 WeakPolarHBondContact O-CB 3.27Å; F507-I510 VanDerWaalsContact O-CG1 3.32Å; F507-I510 WeakPolarHBondContact O-CG1 3.04Å; F507-I510 PolarHBondContact O-N 3.44Å; F507-C512 HydrophobicContact CD1-CB 4.07Å; F507-C512 HydrophobicContact CD2-CB 3.75Å; F507-C512 HydrophobicContact CE1-CB 3.97Å; F507-C512 HydrophobicContact CE2-CB 3.62Å; F507-C512 HydrophobicContact CG-CB 3.95Å; F507-C512 HydrophobicContact CZ-CB 3.72Å
508G97.7Very high97.1Very high0 Ų060.9 Ų60.90%032%0.317CS..BIsolated β-bridgetrans52.8-124.9-163.600000110.9T401 H405 E503 R504 I510T401-G508 VanDerWaalsContact OG1-CA 3.28Å; T401-G508 WeakPolarHBondContact OG1-CA 3.5Å; H405-G508 WeakPolarHBondContact CD2-CA 3.31Å; H405-G508 VanDerWaalsContact NE2-CA 3.31Å; H405-G508 WeakPolarHBondContact NE2-CA 3.41Å; E503-G508 CarbonylContact C-O 3.59Å; E503-G508 WeakPolarHBondContact CA-O 3.38Å; R504-G508 PolarHBondContact N-O 3.22Å; R504-G508 WeakPolarHBondContact O-CA 3.21Å; R504-G508 PolarHBondContact O-N 3.05Å; G508-I510 VanDerWaalsContact C-N 3.35Å
509K98.5Very high97.1Very high85 Ų8564.4 Ų64.437%0.3734%0.335SS..THydrogen-bonded Turntrans-87.82.6179.2-59.2-179.2-178.5172.10114.1W397 T401 W501 F507W397-K509 HydrophobicContact CE3-CB 4.17Å; W397-K509 HydrophobicContact CZ3-CB 3.93Å; T401-K509 HydrophobicContact CG2-CB 4.17Å; T401-K509 PolarHBondContact OG1-N 2.83Å; W501-K509 PolarHBondContact N-O 3.32Å; W501-K509 WeakPolarHBondContact O-CB 3.34Å; W501-K509 WeakPolarHBondContact O-CG 3.41Å; F507-K509 PolarHBondContact O-N 2.62Å
510I98.6Very high97.1Very high3 Ų362.7 Ų62.72%0.01535%0.346CS..SBendtrans-72.4135.1176.3-54.5-57.6000109.6W397 A398 T401 L402 L455 F507 G508 C512W397-I510 HydrophobicContact CH2-CD1 4.03Å; W397-I510 HydrophobicContact CZ3-CD1 3.89Å; A398-I510 HydrophobicContact CB-CD1 4.1Å; T401-I510 HydrophobicContact CG2-CD1 4.27Å; T401-I510 HydrophobicContact CG2-CG1 4.27Å; L402-I510 HydrophobicContact CD2-CG1 3.89Å; L402-I510 HydrophobicContact CG-CG1 4.28Å; L455-I510 HydrophobicContact CD2-CB 4.37Å; L455-I510 HydrophobicContact CD2-CG2 4.09Å; F507-I510 VanDerWaalsContact O-CB 3.29Å; F507-I510 WeakPolarHBondContact O-CB 3.27Å; F507-I510 VanDerWaalsContact O-CG1 3.32Å; F507-I510 WeakPolarHBondContact O-CG1 3.04Å; F507-I510 PolarHBondContact O-N 3.44Å; G508-I510 VanDerWaalsContact C-N 3.35Å; I510-C512 PolarHBondContact O-N 3.32Å; I510-C512 VanDerWaalsContact O-N 3.15Å
511R97.9Very high97Very high84 Ų8467.6 Ų67.632%0.31736%0.357SS..PPolyproline II helixtrans-60.3119177.6-173.6-166-60.4-1016.3110.5K452 D498 W501K452-R511 WeakPolarHBondContact CD-O 3.38Å; K452-R511 WeakPolarHBondContact CE-O 3.39Å; K452-R511 PolarHBondContact NZ-O 2.83Å; D498-R511 IonicContact OD1-CZ 3.91Å; D498-R511 IonicContact OD1-NH2 3.62Å; D498-R511 PolarHBondContact OD1-NH2 3.24Å; D498-R511 IonicContact OD2-CZ 2.76Å; D498-R511 IonicContact OD2-NE 3.63Å; D498-R511 PolarHBondContact OD2-NE 3.41Å; D498-R511 IonicContact OD2-NH2 2.63Å; D498-R511 PolarHBondContact OD2-NH2 3.33Å; W501-R511 VanDerWaalsContact CE2-CZ 3.41Å; W501-R511 HydrophobicContact CG-CB 4.28Å
512C96.5Very high97Very high27 Ų2763.4 Ų63.418%0.18234%0.341CS..PPolyproline II helixtrans-84163.1174690000112.8R504 F507 I510R504-C512 PolarHBondContact NH1-SG 2.98Å; F507-C512 HydrophobicContact CD1-CB 4.07Å; F507-C512 HydrophobicContact CD2-CB 3.75Å; F507-C512 HydrophobicContact CE1-CB 3.97Å; F507-C512 HydrophobicContact CE2-CB 3.62Å; F507-C512 HydrophobicContact CG-CB 3.95Å; F507-C512 HydrophobicContact CZ-CB 3.72Å; I510-C512 PolarHBondContact O-N 3.32Å; I510-C512 VanDerWaalsContact O-N 3.15Å
513M96.9Very high97.1Very high29 Ų2962.1 Ų62.114%0.14333%0.327CS..  trans-130.7146163.4-75.3179.267.800109.9F445 M448 Y449 K452 K453F445-M513 HydrophobicContact CD1-CE 4.3Å; F445-M513 HydrophobicContact CE1-CE 3.54Å; F445-M513 HydrophobicContact CE2-CE 3.98Å; F445-M513 HydrophobicContact CZ-CE 3.36Å; M448-M513 HydrophobicContact CB-SD 3.65Å; Y449-M513 HydrophobicContact CD2-CB 4.02Å; Y449-M513 HydrophobicContact CD2-CE 4.34Å; K452-M513 HydrophobicContact CD-CB 4.04Å; K452-M513 HydrophobicContact CD-CG 3.63Å; K452-M513 HydrophobicContact CD-SD 3.86Å; K453-M513 PolarHBondContact NZ-O 3.06Å
514T96.3Very high97.1Very high65 Ų6557 Ų5740%0.39930%0.303SS..  trans-123.4149.5-175.266.70000111.2K516 G517 C518T514-K516 VanDerWaalsContact C-N 3.26Å; T514-K516 PolarHBondContact O-N 2.89Å; T514-G517 WeakPolarHBondContact O-CA 3.3Å; T514-G517 PolarHBondContact O-N 2.7Å; T514-G517 PolarHBondContact OG1-N 3.32Å; T514-G517 VanDerWaalsContact OG1-N 3.13Å; T514-C518 PolarHBondContact O-N 2.91Å; T514-C518 VanDerWaalsContact O-N 3.15Å
515Y98Very high97.2Very high65 Ų6554.8 Ų54.826%0.25531%0.306SS..Hα-helixtrans-53.8-45.2174.7-171.3-86000111.8D426 D427 L428 G517 C518 L519 V524D426-Y515 WeakPolarHBondContact OD2-CD2 3.38Å; D427-Y515 WeakPolarHBondContact OD1-CE2 3.33Å; D427-Y515 PolarHBondContact OD1-OH 3.44Å; D427-Y515 PolarHBondContact OD2-OH 3.47Å; L428-Y515 HydrophobicContact CB-CD2 4.04Å; L428-Y515 HydrophobicContact CB-CE2 3.59Å; L428-Y515 HydrophobicContact CD2-CD2 4.44Å; Y515-G517 VanDerWaalsContact C-N 3.26Å; Y515-G517 PolarHBondContact O-N 3.13Å; Y515-C518 WeakPolarHBondContact O-CA 3.48Å; Y515-C518 WeakPolarHBondContact O-CB 3.14Å; Y515-C518 PolarHBondContact O-N 3.12Å; Y515-L519 HydrophobicContact CD1-CD1 3.93Å; Y515-L519 HydrophobicContact CD1-CG 4.02Å; Y515-L519 HydrophobicContact CE1-CD1 3.87Å; Y515-L519 HydrophobicContact CE1-CD2 3.91Å; Y515-L519 HydrophobicContact CE1-CG 3.88Å; Y515-L519 PolarHBondContact O-N 3.4Å; Y515-V524 HydrophobicContact CE2-CG1 4.12Å; Y515-V524 WeakPolarHBondContact OH-CG1 3.47Å
516K96.9Very high97.4Very high174 Ų17452.9 Ų52.976%0.75729%0.293SS*.Hα-helixtrans-58.1-36.8174.8-173.2176.7-179.4177.80112.7T514 C518 L519 G520T514-K516 VanDerWaalsContact C-N 3.26Å; T514-K516 PolarHBondContact O-N 2.89Å; K516-C518 VanDerWaalsContact C-N 3.33Å; K516-L519 PolarHBondContact O-N 3.47Å; K516-G520 PolarHBondContact O-N 3.23Å
517G96.4Very high97.4Very high39 Ų3952.4 Ų52.440%0.40229%0.29SS..Hα-helixtrans-63.6-38.1173.600000112.5T514 Y515 G520 K521T514-G517 WeakPolarHBondContact O-CA 3.3Å; T514-G517 PolarHBondContact O-N 2.7Å; T514-G517 PolarHBondContact OG1-N 3.32Å; T514-G517 VanDerWaalsContact OG1-N 3.13Å; Y515-G517 VanDerWaalsContact C-N 3.26Å; Y515-G517 PolarHBondContact O-N 3.13Å; G517-G520 PolarHBondContact O-N 3.24Å; G517-K521 WeakPolarHBondContact O-CG 3.44Å
518C98.1Very high97.5Very high1 Ų153.2 Ų53.21%0.00730%0.296CS..Hα-helixtrans-67.8-39.4176.2-61.80000112.4L428 Y449 T514 Y515 K516 G520 K521 F522 V524L428-C518 HydrophobicContact CD2-CB 3.55Å; Y449-C518 WeakPolarHBondContact CD2-SG 3.34Å; T514-C518 PolarHBondContact O-N 2.91Å; T514-C518 VanDerWaalsContact O-N 3.15Å; Y515-C518 WeakPolarHBondContact O-CA 3.48Å; Y515-C518 WeakPolarHBondContact O-CB 3.14Å; Y515-C518 PolarHBondContact O-N 3.12Å; K516-C518 VanDerWaalsContact C-N 3.33Å; C518-G520 PolarHBondContact O-N 2.86Å; C518-K521 PolarHBondContact O-N 3.38Å; C518-F522 HydrophobicContact CB-CE1 4.02Å; C518-F522 HydrophobicContact CB-CZ 3.99Å; C518-F522 PolarHBondContact O-N 3.39Å; C518-V524 HydrophobicContact CB-CG2 4.25Å
519L97.2Very high97.5Very high91 Ų9156.8 Ų56.848%0.47633%0.326SS..Hα-helixtrans-56.3-33.5175.4-69.2174000112.9Y515 K516 K521 V524Y515-L519 HydrophobicContact CD1-CD1 3.93Å; Y515-L519 HydrophobicContact CD1-CG 4.02Å; Y515-L519 HydrophobicContact CE1-CD1 3.87Å; Y515-L519 HydrophobicContact CE1-CD2 3.91Å; Y515-L519 HydrophobicContact CE1-CG 3.88Å; Y515-L519 PolarHBondContact O-N 3.4Å; K516-L519 PolarHBondContact O-N 3.47Å; L519-K521 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 3.24Å; L519-V524 HydrophobicContact CD2-CB 3.9Å; L519-V524 HydrophobicContact CD2-CG2 3.77Å; L519-V524 HydrophobicContact CG-CG2 4.39Å
520G94.9Very high97.4Very high71 Ų7158.7 Ų58.773%0.73233%0.33SS*.THydrogen-bonded Turntrans-79.4-3.5176.100000114.9K516 G517 C518K516-G520 PolarHBondContact O-N 3.23Å; G517-G520 PolarHBondContact O-N 3.24Å; C518-G520 PolarHBondContact O-N 2.86Å
521K94.8Very high97.4Very high140 Ų14061 Ų6161%0.60934%0.339SS*.THydrogen-bonded Turntrans-110.4-36.2-176.5-67.6-63.4-175.4-173.70113.5F445 G517 C518 L519F445-K521 HydrophobicContact CZ-CG 4.18Å; G517-K521 WeakPolarHBondContact O-CG 3.44Å; C518-K521 PolarHBondContact O-N 3.38Å; L519-K521 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 3.24Å
522F97.4Very high97.2Very high11 Ų1160.4 Ų60.45%0.04835%0.346CS..SBendtrans-157.9167.1-179.759.8-90000110.9D326 P327 T328 L428 F445 L446 C518 V524 F527D326-F522 HydrophobicContact CB-CB 4.42Å; D326-F522 VanDerWaalsContact OD1-CB 3.25Å; D326-F522 WeakPolarHBondContact OD1-CB 3.5Å; P327-F522 VanDerWaalsContact CD-CD1 3.41Å; P327-F522 VanDerWaalsContact CD-CG 3.49Å; P327-F522 HydrophobicContact CG-CD1 3.87Å; P327-F522 HydrophobicContact CG-CD2 3.6Å; P327-F522 HydrophobicContact CG-CE1 3.81Å; P327-F522 HydrophobicContact CG-CE2 3.54Å; P327-F522 HydrophobicContact CG-CG 3.78Å; P327-F522 HydrophobicContact CG-CZ 3.67Å; T328-F522 HydrophobicContact CG2-CB 4.33Å; T328-F522 HydrophobicContact CG2-CD2 4.14Å; L428-F522 HydrophobicContact CD1-CE2 3.9Å; L428-F522 HydrophobicContact CD1-CZ 3.91Å; L428-F522 HydrophobicContact CD2-CZ 4.02Å; F445-F522 AromaticContact CD1-CE1 3.87Å; F445-F522 HydrophobicContact CD1-CE1 3.87Å; F445-F522 AromaticContact CE1-CE1 3.76Å; F445-F522 HydrophobicContact CE1-CE1 3.76Å; L446-F522 HydrophobicContact CD2-CE1 4.34Å; L446-F522 HydrophobicContact CD2-CZ 3.79Å; C518-F522 HydrophobicContact CB-CE1 4.02Å; C518-F522 HydrophobicContact CB-CZ 3.99Å; C518-F522 PolarHBondContact O-N 3.39Å; F522-V524 HydrophobicContact CD2-CG2 4.29Å; F522-V524 HydrophobicContact CE2-CB 4.48Å; F522-V524 HydrophobicContact CE2-CG2 3.77Å; F522-V524 HydrophobicContact CZ-CG2 4.2Å; F522-V524 PolarHBondContact O-N 3.41Å; F522-F527 HydrophobicContact CE2-CB 4.25Å
523S98.1Very high96.8Very high53 Ų5367.9 Ų67.937%0.37138%0.375SS..  trans-72.698.4174.2177.80000110.7T328 T526 F527T328-S523 WeakPolarHBondContact CG2-O 3.29Å; S523-T526 WeakPolarHBondContact CB-OG1 3.18Å; S523-T526 PolarHBondContact O-N 3.21Å; S523-T526 VanDerWaalsContact OG-CB 3.32Å; S523-T526 WeakPolarHBondContact OG-CB 3.49Å; S523-T526 PolarHBondContact OG-N 3.48Å; S523-T526 PolarHBondContact OG-OG1 3.18Å; S523-F527 PolarHBondContact O-N 3.41Å; S523-F527 VanDerWaalsContact O-N 3.15Å
524V98.5Very high96.8Very high1 Ų169.8 Ų69.81%0.00639%0.387CS..Hα-helixtrans-56.8-47.6174.7173.50000111.7L428 Y515 C518 L519 F522 T526 F527 V528L428-V524 HydrophobicContact CB-CG1 3.85Å; L428-V524 HydrophobicContact CD1-CG1 4.18Å; L428-V524 HydrophobicContact CD2-CG1 4.48Å; L428-V524 HydrophobicContact CD2-CG2 4.06Å; L428-V524 HydrophobicContact CG-CG1 4.39Å; Y515-V524 HydrophobicContact CE2-CG1 4.12Å; Y515-V524 WeakPolarHBondContact OH-CG1 3.47Å; C518-V524 HydrophobicContact CB-CG2 4.25Å; L519-V524 HydrophobicContact CD2-CB 3.9Å; L519-V524 HydrophobicContact CD2-CG2 3.77Å; L519-V524 HydrophobicContact CG-CG2 4.39Å; F522-V524 HydrophobicContact CD2-CG2 4.29Å; F522-V524 HydrophobicContact CE2-CB 4.48Å; F522-V524 HydrophobicContact CE2-CG2 3.77Å; F522-V524 HydrophobicContact CZ-CG2 4.2Å; F522-V524 PolarHBondContact O-N 3.41Å; V524-T526 VanDerWaalsContact C-N 3.25Å; V524-T526 PolarHBondContact O-N 3Å; V524-F527 PolarHBondContact O-N 2.64Å; V524-V528 HydrophobicContact CG1-CG2 3.91Å; V524-V528 WeakPolarHBondContact O-CG2 3.32Å; V524-V528 PolarHBondContact O-N 2.83Å
525P98.4Very high96.8Very high85 Ų8570.1 Ų70.155%0.55239%0.387SS*.Hα-helixtrans-57.5-38.1177.9-26.135.7000113.1F527 V528 A529P525-F527 PolarHBondContact O-N 2.81Å; P525-V528 PolarHBondContact O-N 2.84Å; P525-A529 VanDerWaalsContact O-CB 3.3Å; P525-A529 WeakPolarHBondContact O-CB 3.37Å; P525-A529 PolarHBondContact O-N 2.7Å
526T98.5Very high96.8Very high63 Ų6370.3 Ų70.339%0.38739%0.394SS..Hα-helixtrans-65.9-37.7177-590000112.2T328 S523 V524T328-T526 HydrophobicContact CG2-CG2 4.1Å; S523-T526 WeakPolarHBondContact CB-OG1 3.18Å; S523-T526 PolarHBondContact O-N 3.21Å; S523-T526 VanDerWaalsContact OG-CB 3.32Å; S523-T526 WeakPolarHBondContact OG-CB 3.49Å; S523-T526 PolarHBondContact OG-N 3.48Å; S523-T526 PolarHBondContact OG-OG1 3.18Å; V524-T526 VanDerWaalsContact C-N 3.25Å; V524-T526 PolarHBondContact O-N 3Å
527F98.5Very high96.8Very high0 Ų064.2 Ų64.20%037%0.372CS..Hα-helixtrans-70.8-46.4175.5-177.8-97.4000111.5P327 T328 L428 A431 Q435 L446 F522 S523 V524 P525 A529 R530 Y531P327-F527 HydrophobicContact CB-CD2 3.67Å; P327-F527 HydrophobicContact CB-CE2 3.8Å; P327-F527 HydrophobicContact CB-CG 4.46Å; P327-F527 HydrophobicContact CG-CD2 4.06Å; P327-F527 HydrophobicContact CG-CG 4.39Å; T328-F527 HydrophobicContact CG2-CB 4.15Å; L428-F527 HydrophobicContact CD1-CD1 3.75Å; L428-F527 HydrophobicContact CD1-CE1 4.3Å; A431-F527 HydrophobicContact CB-CD1 4.02Å; A431-F527 HydrophobicContact CB-CE1 3.86Å; Q435-F527 HydrophobicContact CB-CZ 4.27Å; L446-F527 HydrophobicContact CD1-CD1 3.97Å; L446-F527 HydrophobicContact CD1-CD2 4.14Å; L446-F527 HydrophobicContact CD1-CE1 3.34Å; L446-F527 HydrophobicContact CD1-CE2 3.53Å; L446-F527 HydrophobicContact CD1-CG 4.33Å; L446-F527 HydrophobicContact CD1-CZ 3.1Å; F522-F527 HydrophobicContact CE2-CB 4.25Å; S523-F527 PolarHBondContact O-N 3.41Å; S523-F527 VanDerWaalsContact O-N 3.15Å; V524-F527 PolarHBondContact O-N 2.64Å; P525-F527 PolarHBondContact O-N 2.81Å; F527-A529 VanDerWaalsContact C-N 3.29Å; F527-A529 PolarHBondContact O-N 3.49Å; F527-R530 WeakPolarHBondContact O-CB 3.49Å; F527-R530 PolarHBondContact O-N 2.89Å; F527-Y531 HydrophobicContact CD2-CD2 4.35Å; F527-Y531 HydrophobicContact CD2-CE2 4.2Å; F527-Y531 HydrophobicContact CE1-CD2 4.01Å; F527-Y531 AromaticContact CE2-CD2 3.77Å; F527-Y531 HydrophobicContact CE2-CD2 3.77Å; F527-Y531 AromaticContact CE2-CE2 3.48Å; F527-Y531 HydrophobicContact CE2-CE2 3.48Å; F527-Y531 VanDerWaalsContact CE2-CE2 3.48Å; F527-Y531 AromaticContact CZ-CD2 3.57Å; F527-Y531 HydrophobicContact CZ-CD2 3.57Å; F527-Y531 AromaticContact CZ-CE2 3.65Å; F527-Y531 HydrophobicContact CZ-CE2 3.65Å
528V98.7Very high96.8Very high30 Ų3065.8 Ų65.818%0.18237%0.371CS..Hα-helixtrans-58-42.3178.8172.30000111.2D427 A431 V524 P525 R530 Y531D427-V528 HydrophobicContact CB-CG1 4.28Å; D427-V528 HydrophobicContact CB-CG2 4.25Å; A431-V528 HydrophobicContact CB-CB 4.31Å; A431-V528 HydrophobicContact CB-CG2 3.98Å; V524-V528 HydrophobicContact CG1-CG2 3.91Å; V524-V528 WeakPolarHBondContact O-CG2 3.32Å; V524-V528 PolarHBondContact O-N 2.83Å; P525-V528 PolarHBondContact O-N 2.84Å; V528-R530 PolarHBondContact O-N 3.08Å; V528-R530 VanDerWaalsContact O-N 3.11Å; V528-Y531 CarbonylContact O-C 3.22Å; V528-Y531 VanDerWaalsContact O-C 3.22Å; V528-Y531 PolarHBondContact O-N 3.33Å
529A98.4Very high96.7Very high76 Ų7670.1 Ų70.163%0.62840%0.395SS*.THydrogen-bonded Turntrans-61.1-20.8177.100000114.4P525 F527P525-A529 VanDerWaalsContact O-CB 3.3Å; P525-A529 WeakPolarHBondContact O-CB 3.37Å; P525-A529 PolarHBondContact O-N 2.7Å; F527-A529 VanDerWaalsContact C-N 3.29Å; F527-A529 PolarHBondContact O-N 3.49Å
530R97.1Very high96.7Very high124 Ų12468.6 Ų68.647%0.46839%0.389SS..THydrogen-bonded Turntrans-82.7-22.6175.6-66.2176.5-175.4177.73113.2T328 F527 V528 P532T328-R530 VanDerWaalsContact C-NH1 3.28Å; T328-R530 VanDerWaalsContact CA-NH1 3.34Å; T328-R530 PolarHBondContact O-NH1 3.17Å; T328-R530 PolarHBondContact O-NH2 3.03Å; F527-R530 WeakPolarHBondContact O-CB 3.49Å; F527-R530 PolarHBondContact O-N 2.89Å; V528-R530 PolarHBondContact O-N 3.08Å; V528-R530 VanDerWaalsContact O-N 3.11Å; R530-P532 VanDerWaalsContact C-CD 3.41Å
531Y97.4Very high96.8Very high52 Ų5268.5 Ų68.520%0.20436%0.363CS..SBendtrans-132.160.7-177.5-56.6-75.5000110.2A431 Q435 F527 V528A431-Y531 WeakPolarHBondContact O-CB 3.47Å; Q435-Y531 HydrophobicContact CB-CD1 3.81Å; Q435-Y531 HydrophobicContact CB-CD2 3.98Å; Q435-Y531 HydrophobicContact CB-CE1 3.75Å; Q435-Y531 HydrophobicContact CB-CE2 3.91Å; Q435-Y531 HydrophobicContact CB-CG 3.93Å; Q435-Y531 HydrophobicContact CG-CD1 4.3Å; Q435-Y531 HydrophobicContact CG-CD2 4.44Å; Q435-Y531 HydrophobicContact CG-CE1 3.71Å; Q435-Y531 HydrophobicContact CG-CE2 3.86Å; Q435-Y531 VanDerWaalsContact CG-CZ 3.45Å; Q435-Y531 PolarHBondContact NE2-OH 2.84Å; F527-Y531 HydrophobicContact CD2-CD2 4.35Å; F527-Y531 HydrophobicContact CD2-CE2 4.2Å; F527-Y531 HydrophobicContact CE1-CD2 4.01Å; F527-Y531 AromaticContact CE2-CD2 3.77Å; F527-Y531 HydrophobicContact CE2-CD2 3.77Å; F527-Y531 AromaticContact CE2-CE2 3.48Å; F527-Y531 HydrophobicContact CE2-CE2 3.48Å; F527-Y531 VanDerWaalsContact CE2-CE2 3.48Å; F527-Y531 AromaticContact CZ-CD2 3.57Å; F527-Y531 HydrophobicContact CZ-CD2 3.57Å; F527-Y531 AromaticContact CZ-CE2 3.65Å; F527-Y531 HydrophobicContact CZ-CE2 3.65Å; V528-Y531 CarbonylContact O-C 3.22Å; V528-Y531 VanDerWaalsContact O-C 3.22Å; V528-Y531 PolarHBondContact O-N 3.33Å
532P94.2Very high97Very high71 Ų7162.5 Ų62.546%0.46134%0.342SS..  trans-67.6162.6177.831.8-36.8000110.9R438 R530R438-P532 PolarHBondContact NH1-O 3.45Å; R438-P532 PolarHBondContact NH2-O 3.5Å; R530-P532 VanDerWaalsContact C-CD 3.41Å
533K88.7Confident96.9Very high184 Ų18467.2 Ų67.280%0.837%0.369SS*.  trans-49.30176.2-171.6171.9-176.7171.50112.2E423 R438E423-K533 IonicContact OE1-NZ 3.53Å; E423-K533 PolarHBondContact OE1-NZ 3.47Å; R438-K533 PolarHBondContact NH2-OXT 2.75Å

Retrieved 533 of 533 residues in 187.3 ms (Link to these results)

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