A0A096MWC0_PAPAN Loading...

Histone deacetylase 1

Histone deacetylase that catalyzes the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes. Also functions as deacetylase for non-histone proteins.

AlphaFold DB (A0A2K5U8T1), UniProt , Accession A0A096MWC0, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 482 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
1M34.2Very low59.8Low243 Ų243115.5 Ų115.5100%1.19763%0.633SS**  0110.90-71.1179.6-179.700106.2Q3M1-Q3 PolarHBondContact O-N 3.44Å
2A28.9Very low63Low101 Ų101105.9 Ų105.984%0.83558%0.581SS**  trans-67.5118.6179.700000108.2T4A2-T4 PolarHBondContact O-N 3.16Å; A2-T4 VanDerWaalsContact O-N 3.08Å
3Q33.7Very low65.8Low187 Ų18797.8 Ų97.887%0.87454%0.536SS*.  trans-60.9107.8160.7-82.6170-27.400106M1 Q5M1-Q3 PolarHBondContact O-N 3.44Å; Q3-Q5 PolarHBondContact O-N 3.44Å
4T36.6Very low68.1Low131 Ų13191.9 Ų91.980%0.80450%0.502SS*.  trans-59.9108159.941.20000105.9A2 G6A2-T4 PolarHBondContact O-N 3.16Å; A2-T4 VanDerWaalsContact O-N 3.08Å; T4-G6 PolarHBondContact O-N 3.42Å
5Q38.2Very low70.2Confident195 Ų19587.7 Ų87.791%0.91148%0.476SS*.  trans-58.791.3162.3-81.6178.6-27.500106Q3 T7Q3-Q5 PolarHBondContact O-N 3.44Å; Q5-T7 PolarHBondContact O-N 2.77Å
6G50.6Low71.9Confident64 Ų6482.7 Ų82.766%0.6645%0.449SS*.PPolyproline II helixtrans-61.8129.6172.300000107.5T4 R8T4-G6 PolarHBondContact O-N 3.42Å; G6-R8 PolarHBondContact O-N 2.77Å
7T63.3Low73.4Confident136 Ų13679.9 Ų79.983%0.83444%0.444SS*.PPolyproline II helixtrans-50.7130.3167.843.10000108.6Q5 R9Q5-T7 PolarHBondContact O-N 2.77Å; T7-R9 PolarHBondContact O-N 3.29Å
8R82.9Confident74.7Confident103 Ų10379.3 Ų79.339%0.38944%0.44SS..PPolyproline II helixtrans-54.5132.7177.3-165.2-174.8-162.6153.114108.8G6 L320 D321 T322 E417G6-R8 PolarHBondContact O-N 2.77Å; R8-L320 VanDerWaalsContact CZ-O 3.27Å; R8-L320 PolarHBondContact NE-O 3.43Å; R8-L320 PolarHBondContact NH2-O 2.92Å; R8-D321 PolarHBondContact NH2-O 2.97Å; R8-T322 PolarHBondContact NH2-OG1 3.34Å; R8-E417 IonicContact CZ-OE1 3.08Å; R8-E417 IonicContact NH1-OE1 2.75Å; R8-E417 PolarHBondContact NH1-OE1 3.27Å
9R93.1Very high75.9Confident34 Ų3475.3 Ų75.313%0.12842%0.417CS..PPolyproline II helixtrans-69.3139.8-176.9-84.5-177.2-74.8-158.4-25.2111.5T7 D130 I131 K289T7-R9 PolarHBondContact O-N 3.29Å; R9-D130 WeakPolarHBondContact CA-OD2 3.21Å; R9-D130 HydrophobicContact CB-CB 3.83Å; R9-D130 HydrophobicContact CG-CB 3.73Å; R9-I131 HydrophobicContact CB-CD1 4.26Å; R9-K289 VanDerWaalsContact CZ-CE 3.5Å; R9-K289 VanDerWaalsContact CZ-CG 3.47Å; R9-K289 PolarHBondContact NH1-O 3.25Å; R9-K289 VanDerWaalsContact NH2-CB 3.34Å; R9-K289 VanDerWaalsContact NH2-CE 3.27Å; R9-K289 VanDerWaalsContact NH2-CG 3.33Å; R9-K289 PolarHBondContact NH2-O 3.38Å
10K97.4Very high76.9Confident76 Ų7671.8 Ų71.833%0.3340%0.4SS..PPolyproline II helixtrans-75129.4174.2-174.1173175.9-177.30109.8E52 Q128 T129 D130 I131K10-E52 WeakPolarHBondContact CE-OE1 3.45Å; K10-E52 WeakPolarHBondContact CE-OE2 3.25Å; K10-E52 IonicContact NZ-OE1 2.74Å; K10-E52 PolarHBondContact NZ-OE1 2.73Å; K10-E52 IonicContact NZ-OE2 2.58Å; K10-E52 PolarHBondContact NZ-OE2 3.31Å; K10-Q128 WeakPolarHBondContact CD-O 3.45Å; K10-Q128 WeakPolarHBondContact CE-O 3.45Å; K10-Q128 PolarHBondContact NZ-O 3.01Å; K10-Q128 VanDerWaalsContact NZ-O 3.14Å; K10-T129 PolarHBondContact O-OG1 3.33Å; K10-T129 VanDerWaalsContact O-OG1 3.06Å; K10-D130 PolarHBondContact N-OD2 3.25Å; K10-D130 PolarHBondContact O-N 3.49Å; K10-D130 VanDerWaalsContact O-N 3.1Å; K10-I131 PolarHBondContact O-N 3.01Å
11V98.6Very high77.9Confident1 Ų172.9 Ų72.91%0.00641%0.405CS..EExtended strand (participates in β ladder)trans-117.2127.3-179.1-174.70000109.6M51 E52 I131 V133 A319 L320V11-M51 HydrophobicContact CB-CB 4.1Å; V11-M51 HydrophobicContact CG1-CB 4.2Å; V11-M51 WeakPolarHBondContact O-CA 3.29Å; V11-M51 WeakPolarHBondContact O-CB 3.37Å; V11-E52 PolarHBondContact O-N 3.28Å; V11-I131 WeakPolarHBondContact CA-O 2.99Å; V11-I131 HydrophobicContact CG1-CG2 4.47Å; V11-I131 HydrophobicContact CG2-CB 4.21Å; V11-I131 HydrophobicContact CG2-CD1 4.42Å; V11-V133 HydrophobicContact CG1-CG2 3.96Å; V11-A319 HydrophobicContact CG2-CB 4.42Å; V11-L320 HydrophobicContact CB-CD2 3.84Å; V11-L320 HydrophobicContact CG1-CD2 4.42Å; V11-L320 HydrophobicContact CG2-CD2 3.65Å; V11-L320 HydrophobicContact CG2-CG 4.29Å
12C98.6Very high81Confident0 Ų062.4 Ų62.40%035%0.352CS..EExtended strand (participates in β ladder)trans-106.8138.7166.9-65.60000109.6Y14 E52 Y54 T129 I131 A132 V133C12-Y14 HydrophobicContact CB-CE2 4.15Å; C12-E52 CarbonylContact C-O 3.56Å; C12-E52 WeakPolarHBondContact CA-O 3.44Å; C12-Y54 HydrophobicContact CB-CD2 4.22Å; C12-Y54 HydrophobicContact CB-CE2 4.13Å; C12-T129 HydrophobicContact CB-CG2 4.41Å; C12-T129 PolarHBondContact N-OG1 3.33Å; C12-T129 WeakPolarHBondContact SG-CB 3.49Å; C12-T129 PolarHBondContact SG-OG1 3.09Å; C12-I131 PolarHBondContact N-O 3.07Å; C12-A132 CarbonylContact O-C 3.58Å; C12-A132 WeakPolarHBondContact O-CA 3.33Å; C12-V133 PolarHBondContact O-N 3.36Å
13Y98.8Very high84.3Confident1 Ų164 Ų640%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-125.8129.9-179171.3-102.1000110.8Y15 H39 L42 M51 E52 I53 Y54 V133 W135Y13-Y15 VanDerWaalsContact CE1-CB 3.44Å; Y13-Y15 HydrophobicContact CE1-CG 4.25Å; Y13-H39 AromaticContact CE1-ND1 3.45Å; Y13-H39 WeakPolarHBondContact CE1-ND1 3.48Å; Y13-H39 AromaticContact CZ-ND1 3.96Å; Y13-L42 HydrophobicContact CE1-CD1 4.47Å; Y13-L42 HydrophobicContact CE2-CD1 4.04Å; Y13-M51 VanDerWaalsContact CB-SD 3.53Å; Y13-M51 HydrophobicContact CD1-CE 3.83Å; Y13-M51 HydrophobicContact CD2-CE 4.47Å; Y13-M51 HydrophobicContact CE1-CE 4.5Å; Y13-M51 HydrophobicContact CG-CE 3.8Å; Y13-M51 HydrophobicContact CG-SD 4Å; Y13-E52 PolarHBondContact N-O 3.44Å; Y13-I53 HydrophobicContact CD1-CD1 4.34Å; Y13-I53 HydrophobicContact CD1-CG1 4.06Å; Y13-I53 HydrophobicContact CD1-CG2 4.12Å; Y13-I53 CarbonylContact O-C 3.57Å; Y13-I53 WeakPolarHBondContact O-CA 3.46Å; Y13-Y54 PolarHBondContact O-N 3.2Å; Y13-V133 HydrophobicContact CD2-CB 4Å; Y13-V133 HydrophobicContact CD2-CG1 3.9Å; Y13-V133 HydrophobicContact CE2-CG1 4.35Å; Y13-W135 AromaticContact CE2-CD1 3.5Å; Y13-W135 VanDerWaalsContact CE2-CD1 3.5Å; Y13-W135 HydrophobicContact CE2-CG 4.34Å; Y13-W135 AromaticContact CE2-NE1 3.9Å
14Y98.8Very high87.3Confident14 Ų1455.4 Ų55.46%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-107.9127.3-176.9-70.5-98.9000111.5C12 Y54 P56 A119 S120 V133C12-Y14 HydrophobicContact CB-CE2 4.15Å; Y14-Y54 WeakPolarHBondContact CA-O 3.42Å; Y14-Y54 HydrophobicContact CE1-CG 4.21Å; Y14-P56 HydrophobicContact CD1-CB 4.36Å; Y14-A119 HydrophobicContact CD1-CB 4.21Å; Y14-A119 HydrophobicContact CE1-CB 3.52Å; Y14-A119 PolarHBondContact OH-O 3.33Å; Y14-S120 WeakPolarHBondContact CD2-OG 3.36Å; Y14-S120 WeakPolarHBondContact CE2-OG 3.37Å; Y14-V133 PolarHBondContact N-O 3.3Å
15Y98.8Very high90.1Very high30 Ų3050.2 Ų50.212%0.11827%0.27CS..  trans-154.2138179.2174.9-101.6000112.3Y13 V19 I35 H39 Y54 R55 P56Y13-Y15 VanDerWaalsContact CE1-CB 3.44Å; Y13-Y15 HydrophobicContact CE1-CG 4.25Å; Y15-V19 HydrophobicContact CD2-CG1 4.24Å; Y15-V19 HydrophobicContact CE2-CG1 3.8Å; Y15-I35 HydrophobicContact CD2-CG2 4.1Å; Y15-I35 HydrophobicContact CE2-CG2 4.14Å; Y15-H39 HydrophobicContact CD1-CB 4.49Å; Y15-H39 AromaticContact CD1-CD2 3.71Å; Y15-H39 AromaticContact CD1-CE1 3.44Å; Y15-H39 VanDerWaalsContact CD1-CE1 3.44Å; Y15-H39 WeakPolarHBondContact CD1-CE1 3.25Å; Y15-H39 AromaticContact CD1-CG 3.67Å; Y15-H39 AromaticContact CD1-ND1 3.52Å; Y15-H39 AromaticContact CD1-NE2 3.56Å; Y15-H39 HydrophobicContact CD2-CB 3.96Å; Y15-H39 AromaticContact CD2-CG 3.97Å; Y15-H39 HydrophobicContact CE1-CB 4.23Å; Y15-H39 AromaticContact CE1-CD2 3.28Å; Y15-H39 WeakPolarHBondContact CE1-CD2 3.24Å; Y15-H39 AromaticContact CE1-CE1 3.85Å; Y15-H39 AromaticContact CE1-CG 3.55Å; Y15-H39 AromaticContact CE1-ND1 3.9Å; Y15-H39 AromaticContact CE1-NE2 3.49Å; Y15-H39 WeakPolarHBondContact CE1-NE2 3.42Å; Y15-H39 HydrophobicContact CE2-CB 3.66Å; Y15-H39 AromaticContact CE2-CG 3.87Å; Y15-H39 HydrophobicContact CG-CB 4.36Å; Y15-H39 AromaticContact CG-CE1 3.96Å; Y15-H39 AromaticContact CG-CG 3.87Å; Y15-H39 AromaticContact CG-ND1 3.61Å; Y15-H39 AromaticContact CZ-CD2 3.63Å; Y15-H39 AromaticContact CZ-CG 3.65Å; Y15-Y54 PolarHBondContact N-O 3.29Å; Y15-R55 WeakPolarHBondContact O-CA 3.3Å; Y15-P56 VanDerWaalsContact C-CD 3.5Å; Y15-P56 WeakPolarHBondContact O-CD 3.27Å
16D98.4Very high92.9Very high7 Ų749.9 Ų49.94%0.03727%0.268CS..  trans-117.7132.1168.6-169.4-58000109.3D18 V19 R55 P56 L112D16-D18 PolarHBondContact O-N 2.82Å; D16-D18 VanDerWaalsContact O-N 3.16Å; D16-D18 WeakPolarHBondContact OD1-CB 3.31Å; D16-D18 PolarHBondContact OD1-N 3.37Å; D16-V19 WeakPolarHBondContact O-CB 3.27Å; D16-V19 WeakPolarHBondContact O-CG1 3.35Å; D16-V19 PolarHBondContact O-N 2.7Å; D16-V19 VanDerWaalsContact O-N 3.17Å; D16-R55 HydrophobicContact CB-CG 4.44Å; D16-R55 IonicContact OD1-CZ 2.77Å; D16-R55 IonicContact OD1-NE 2.67Å; D16-R55 IonicContact OD1-NH2 3.72Å; D16-R55 PolarHBondContact OD1-NH2 2.97Å; D16-R55 IonicContact OD2-CZ 3.06Å; D16-R55 IonicContact OD2-NE 3.33Å; D16-R55 PolarHBondContact OD2-NE 3.28Å; D16-R55 IonicContact OD2-NH2 3.35Å; D16-R55 PolarHBondContact OD2-NH2 3.08Å; D16-P56 HydrophobicContact CB-CG 4.07Å; D16-L112 HydrophobicContact CB-CD1 4.12Å; D16-L112 HydrophobicContact CB-CD2 3.92Å
17G96.7Very high95Very high35 Ų3550.2 Ų50.236%0.36127%0.272SS..THydrogen-bonded Turntrans-60.8-22.1-178.800000114.8
18D97.3Very high96.7Very high69 Ų6944.8 Ų44.837%0.36924%0.237SC..THydrogen-bonded Turntrans-77.6-22.5-179.7-66.1-36.6000112.5D16 G20 N21 Y22 R55 L112D16-D18 PolarHBondContact O-N 2.82Å; D16-D18 VanDerWaalsContact O-N 3.16Å; D16-D18 WeakPolarHBondContact OD1-CB 3.31Å; D16-D18 PolarHBondContact OD1-N 3.37Å; D18-G20 PolarHBondContact O-N 3.38Å; D18-G20 VanDerWaalsContact O-N 3.1Å; D18-N21 WeakPolarHBondContact O-CB 3.2Å; D18-N21 PolarHBondContact O-N 2.86Å; D18-Y22 HydrophobicContact CB-CE2 4.34Å; D18-Y22 WeakPolarHBondContact O-CD2 3.34Å; D18-Y22 WeakPolarHBondContact O-CE2 3.21Å; D18-R55 IonicContact OD2-NH2 3.75Å; D18-R55 PolarHBondContact OD2-NH2 3.2Å; D18-L112 HydrophobicContact CB-CD1 4.42Å
19V97.3Very high97.3Very high3 Ų341.2 Ų41.22%0.01823%0.227CC..G310 helixtrans-57.5-34.7-173.377.60000112.9Y15 D16 N21 P32 I35 F109 A136Y15-V19 HydrophobicContact CD2-CG1 4.24Å; Y15-V19 HydrophobicContact CE2-CG1 3.8Å; D16-V19 WeakPolarHBondContact O-CB 3.27Å; D16-V19 WeakPolarHBondContact O-CG1 3.35Å; D16-V19 PolarHBondContact O-N 2.7Å; D16-V19 VanDerWaalsContact O-N 3.17Å; V19-N21 PolarHBondContact O-N 3.21Å; V19-P32 WeakPolarHBondContact O-CB 3.28Å; V19-I35 HydrophobicContact CG1-CB 4.07Å; V19-I35 HydrophobicContact CG1-CD1 4.37Å; V19-I35 HydrophobicContact CG1-CG2 3.75Å; V19-I35 HydrophobicContact CG2-CD1 3.77Å; V19-F109 HydrophobicContact CG2-CD2 4.39Å; V19-F109 HydrophobicContact CG2-CE2 4.29Å; V19-A136 HydrophobicContact CG2-CB 4.01Å
20G96.5Very high97.6Very high6 Ų640.4 Ų40.46%0.06223%0.225CC..G310 helixtrans-75.6-7.1-179.400000115D18D18-G20 PolarHBondContact O-N 3.38Å; D18-G20 VanDerWaalsContact O-N 3.1Å
21N97.9Very high97.6Very high95 Ų9539.6 Ų39.651%0.50822%0.221SC..G310 helixtrans-97.9-18.6-176.7-56.5-32.2000112.6D18 V19 R36D18-N21 WeakPolarHBondContact O-CB 3.2Å; D18-N21 PolarHBondContact O-N 2.86Å; V19-N21 PolarHBondContact O-N 3.21Å; N21-R36 PolarHBondContact OD1-NH1 3.25Å
22Y98.3Very high97.6Very high23 Ų2339.6 Ų39.69%0.0922%0.221CC..  trans-67.6139.2175.2-61.1-76.2000111D18 P32 F103 G105 E108 F109 L112D18-Y22 HydrophobicContact CB-CE2 4.34Å; D18-Y22 WeakPolarHBondContact O-CD2 3.34Å; D18-Y22 WeakPolarHBondContact O-CE2 3.21Å; Y22-P32 WeakPolarHBondContact O-CD 3.48Å; Y22-P32 WeakPolarHBondContact O-CG 3.33Å; Y22-F103 HydrophobicContact CD1-CE2 4.48Å; Y22-G105 VanDerWaalsContact CE1-O 3.29Å; Y22-G105 WeakPolarHBondContact CE1-O 3.16Å; Y22-E108 HydrophobicContact CE1-CB 4.02Å; Y22-E108 WeakPolarHBondContact OH-CB 3.31Å; Y22-E108 PolarHBondContact OH-OE2 2.96Å; Y22-F109 HydrophobicContact CD1-CB 4.08Å; Y22-F109 HydrophobicContact CD2-CB 4.01Å; Y22-F109 AromaticContact CD2-CD2 3.97Å; Y22-F109 HydrophobicContact CD2-CD2 3.97Å; Y22-F109 HydrophobicContact CD2-CG 4.49Å; Y22-F109 HydrophobicContact CE1-CB 4.44Å; Y22-F109 HydrophobicContact CE2-CB 4.39Å; Y22-F109 HydrophobicContact CG-CB 3.86Å; Y22-F109 HydrophobicContact CG-CD2 4.17Å; Y22-F109 HydrophobicContact CG-CG 4.44Å; Y22-L112 HydrophobicContact CE2-CD1 3.73Å
23Y98.1Very high97.6Very high134 Ų13442 Ų4253%0.52523%0.232SC..  trans-134.5113.6-170.2-178.1-112.3000111.2G25 Q26 F103Y23-G25 VanDerWaalsContact CE1-CA 3.41Å; Y23-G25 VanDerWaalsContact CZ-O 3.26Å; Y23-G25 PolarHBondContact O-N 2.99Å; Y23-G25 PolarHBondContact OH-O 3.26Å; Y23-Q26 VanDerWaalsContact OH-CA 3.28Å; Y23-Q26 WeakPolarHBondContact OH-CA 3.35Å; Y23-Q26 PolarHBondContact OH-N 3.08Å; Y23-F103 VanDerWaalsContact O-CB 3.26Å; Y23-F103 WeakPolarHBondContact O-CB 3.3Å; Y23-F103 WeakPolarHBondContact O-CG 3.3Å
24Y97.4Very high97.6Very high6 Ų642.4 Ų42.42%0.02423%0.234CC..  trans-66.3-20.5-177.5-86.2-120.8000113.6H28 M30 P32 P101 F103 F109 F150 Y152Y24-H28 AromaticContact CD1-CE1 3.38Å; Y24-H28 WeakPolarHBondContact CD1-CE1 3.48Å; Y24-H28 AromaticContact CD1-ND1 3.61Å; Y24-H28 AromaticContact CD1-NE2 3.87Å; Y24-H28 AromaticContact CG-ND1 3.83Å; Y24-M30 HydrophobicContact CD1-CB 4Å; Y24-M30 HydrophobicContact CD1-CG 4.14Å; Y24-M30 HydrophobicContact CD2-CB 4.39Å; Y24-M30 HydrophobicContact CD2-CG 3.92Å; Y24-M30 HydrophobicContact CE1-CB 4.07Å; Y24-M30 HydrophobicContact CE1-CG 3.84Å; Y24-M30 HydrophobicContact CE2-CB 4.46Å; Y24-M30 HydrophobicContact CE2-CG 3.61Å; Y24-M30 HydrophobicContact CG-CB 4.16Å; Y24-M30 HydrophobicContact CG-CG 4.18Å; Y24-P32 HydrophobicContact CD2-CG 3.94Å; Y24-P32 HydrophobicContact CE2-CG 3.84Å; Y24-P101 HydrophobicContact CD1-CG 4.08Å; Y24-P101 WeakPolarHBondContact O-CG 3.5Å; Y24-F103 HydrophobicContact CD1-CE1 4.18Å; Y24-F103 AromaticContact CD2-CE1 3.91Å; Y24-F103 HydrophobicContact CD2-CE1 3.91Å; Y24-F103 HydrophobicContact CD2-CZ 4.01Å; Y24-F103 HydrophobicContact CE1-CE1 4.25Å; Y24-F103 AromaticContact CE2-CE1 3.96Å; Y24-F103 HydrophobicContact CE2-CE1 3.96Å; Y24-F103 AromaticContact CE2-CZ 3.86Å; Y24-F103 HydrophobicContact CE2-CZ 3.86Å; Y24-F103 HydrophobicContact CG-CD1 4.36Å; Y24-F103 HydrophobicContact CG-CE1 4.03Å; Y24-F109 HydrophobicContact CE2-CD1 4.49Å; Y24-F109 HydrophobicContact CE2-CE1 4.03Å; Y24-F109 HydrophobicContact CE2-CZ 4.09Å; Y24-F109 WeakPolarHBondContact OH-CE1 3.3Å; Y24-F150 HydrophobicContact CE1-CB 4.04Å; Y24-F150 PolarHBondContact OH-O 3.09Å; Y24-Y152 AromaticContact CE1-CE2 3.84Å; Y24-Y152 HydrophobicContact CE1-CE2 3.84Å; Y24-Y152 AromaticContact CZ-CE2 3.93Å
25G96Very high97.6Very high23 Ų2341.9 Ų41.924%0.23723%0.232CC..  trans129.5169.218000000113.8Y23 G27 H28Y23-G25 VanDerWaalsContact CE1-CA 3.41Å; Y23-G25 VanDerWaalsContact CZ-O 3.26Å; Y23-G25 PolarHBondContact O-N 2.99Å; Y23-G25 PolarHBondContact OH-O 3.26Å; G25-G27 PolarHBondContact O-N 2.95Å; G25-H28 WeakPolarHBondContact O-CB 3.37Å; G25-H28 PolarHBondContact O-N 3.2Å
26Q95.8Very high97.6Very high188 Ų18844.6 Ų44.688%0.87924%0.242SC*.THydrogen-bonded Turntrans-64.1133.1-179.2-170.6177.76.900111.1Y23 H28Y23-Q26 VanDerWaalsContact OH-CA 3.28Å; Y23-Q26 WeakPolarHBondContact OH-CA 3.35Å; Y23-Q26 PolarHBondContact OH-N 3.08Å; Q26-H28 PolarHBondContact O-N 3.09Å; Q26-H28 VanDerWaalsContact O-N 3.17Å
27G95.1Very high97.6Very high71 Ų7144.3 Ų44.373%0.73224%0.24SC*.THydrogen-bonded Turntrans78.6-15.9-179.900000114.9G25G25-G27 PolarHBondContact O-N 2.95Å
28H98Very high97.7Very high22 Ų2242.6 Ų42.610%0.10222%0.223CC..  trans-65.1135.2-176.8-161.5-81.5000112.1Y24 G25 Q26 M30 K31 D99 F150Y24-H28 AromaticContact CD1-CE1 3.38Å; Y24-H28 WeakPolarHBondContact CD1-CE1 3.48Å; Y24-H28 AromaticContact CD1-ND1 3.61Å; Y24-H28 AromaticContact CD1-NE2 3.87Å; Y24-H28 AromaticContact CG-ND1 3.83Å; G25-H28 WeakPolarHBondContact O-CB 3.37Å; G25-H28 PolarHBondContact O-N 3.2Å; Q26-H28 PolarHBondContact O-N 3.09Å; Q26-H28 VanDerWaalsContact O-N 3.17Å; H28-M30 VanDerWaalsContact CE1-CB 3.49Å; H28-M30 WeakPolarHBondContact CE1-CB 3.34Å; H28-M30 WeakPolarHBondContact ND1-CB 3.47Å; H28-M30 PolarHBondContact ND1-N 3.09Å; H28-M30 VanDerWaalsContact ND1-N 3.14Å; H28-K31 PolarHBondContact O-NZ 3.37Å; H28-D99 PolarHBondContact NE2-O 2.83Å; H28-D99 VanDerWaalsContact NE2-O 3.09Å; H28-F150 AromaticContact CE1-CD1 3.31Å; H28-F150 WeakPolarHBondContact CE1-CD1 3.43Å; H28-F150 AromaticContact CE1-CE1 3.57Å; H28-F150 AromaticContact CE1-CG 3.84Å; H28-F150 AromaticContact NE2-CD1 3.4Å; H28-F150 WeakPolarHBondContact NE2-CD1 3.43Å; H28-F150 AromaticContact NE2-CE1 3.48Å; H28-F150 WeakPolarHBondContact NE2-CE1 3.39Å
29P97.2Very high97.8Very high27 Ų2740.6 Ų40.618%0.17521%0.212CC..SBendtrans-74.4-35.9-175.928.5-35.4000113.1K31 F150 L271 Y303P29-K31 PolarHBondContact O-N 2.8Å; P29-F150 HydrophobicContact CG-CE1 4.39Å; P29-F150 HydrophobicContact CG-CE2 4.1Å; P29-F150 HydrophobicContact CG-CZ 3.73Å; P29-L271 HydrophobicContact CB-CD1 4.04Å; P29-L271 HydrophobicContact CB-CG 4.49Å; P29-L271 HydrophobicContact CG-CD1 4.01Å; P29-Y303 HydrophobicContact CB-CD1 3.89Å; P29-Y303 HydrophobicContact CB-CG 4.41Å
30M97.8Very high97.8Very high17 Ų1741.3 Ų41.38%0.08422%0.215CC..  trans-64.8121.7174.7-179.755.474.800110.6Y24 H28 R34 F150 Y303Y24-M30 HydrophobicContact CD1-CB 4Å; Y24-M30 HydrophobicContact CD1-CG 4.14Å; Y24-M30 HydrophobicContact CD2-CB 4.39Å; Y24-M30 HydrophobicContact CD2-CG 3.92Å; Y24-M30 HydrophobicContact CE1-CB 4.07Å; Y24-M30 HydrophobicContact CE1-CG 3.84Å; Y24-M30 HydrophobicContact CE2-CB 4.46Å; Y24-M30 HydrophobicContact CE2-CG 3.61Å; Y24-M30 HydrophobicContact CG-CB 4.16Å; Y24-M30 HydrophobicContact CG-CG 4.18Å; H28-M30 VanDerWaalsContact CE1-CB 3.49Å; H28-M30 WeakPolarHBondContact CE1-CB 3.34Å; H28-M30 WeakPolarHBondContact ND1-CB 3.47Å; H28-M30 PolarHBondContact ND1-N 3.09Å; H28-M30 VanDerWaalsContact ND1-N 3.14Å; M30-R34 PolarHBondContact SD-NH2 3.49Å; M30-F150 HydrophobicContact CB-CB 4.38Å; M30-F150 HydrophobicContact CB-CD2 4.39Å; M30-F150 HydrophobicContact CB-CG 4.33Å; M30-F150 HydrophobicContact CE-CB 4.29Å; M30-F150 HydrophobicContact CE-CD2 4.34Å; M30-Y303 HydrophobicContact CE-CE1 4.18Å
31K98.4Very high97.9Very high59 Ų5941 Ų4126%0.25721%0.212SC..  trans-130.696.7-179.7-65-174.3-167.6-48.10109.9H28 P29 H33 R34 I305H28-K31 PolarHBondContact O-NZ 3.37Å; P29-K31 PolarHBondContact O-N 2.8Å; K31-H33 PolarHBondContact O-N 3.32Å; K31-R34 WeakPolarHBondContact O-CD 3.41Å; K31-R34 VanDerWaalsContact O-CG 3.23Å; K31-R34 WeakPolarHBondContact O-CG 3.46Å; K31-R34 PolarHBondContact O-N 2.92Å; K31-I305 HydrophobicContact CB-CG2 4.01Å; K31-I305 HydrophobicContact CD-CD1 4.48Å; K31-I305 HydrophobicContact CD-CG2 4.27Å
32P98.4Very high98Very high2 Ų236.5 Ų36.51%0.01319%0.188CC..THydrogen-bonded Turntrans-52.6-25.7177-30.338.1000114.1V19 Y22 Y24 R34 I35 F109V19-P32 WeakPolarHBondContact O-CB 3.28Å; Y22-P32 WeakPolarHBondContact O-CD 3.48Å; Y22-P32 WeakPolarHBondContact O-CG 3.33Å; Y24-P32 HydrophobicContact CD2-CG 3.94Å; Y24-P32 HydrophobicContact CE2-CG 3.84Å; P32-R34 PolarHBondContact O-N 3.41Å; P32-I35 WeakPolarHBondContact O-CB 3.49Å; P32-I35 PolarHBondContact O-N 2.94Å; P32-F109 HydrophobicContact CB-CE2 4Å; P32-F109 HydrophobicContact CG-CD2 4.32Å; P32-F109 HydrophobicContact CG-CE2 3.78Å; P32-F109 HydrophobicContact CG-CZ 4.35Å
33H98.6Very high97.9Very high49 Ų4938.2 Ų38.223%0.22720%0.199CC..Hα-helixtrans-48.4-29.7172.5-166.166.9000114.9K31 I35 R36 M37 Y333K31-H33 PolarHBondContact O-N 3.32Å; H33-I35 PolarHBondContact O-N 3.35Å; H33-R36 WeakPolarHBondContact O-CB 3.31Å; H33-R36 PolarHBondContact O-N 2.99Å; H33-M37 PolarHBondContact O-N 3.38Å; H33-Y333 AromaticContact CE1-CE1 3.47Å; H33-Y333 VanDerWaalsContact CE1-CE1 3.47Å; H33-Y333 WeakPolarHBondContact CE1-CE1 3.45Å; H33-Y333 AromaticContact CE1-CZ 3.59Å; H33-Y333 PolarHBondContact CE1-OH 2.95Å; H33-Y333 AromaticContact NE2-CD1 3.75Å; H33-Y333 AromaticContact NE2-CE1 3.32Å; H33-Y333 VanDerWaalsContact NE2-CE1 3.32Å; H33-Y333 WeakPolarHBondContact NE2-CE1 3.32Å; H33-Y333 AromaticContact NE2-CZ 3.75Å
34R98.7Very high98Very high10 Ų1035.2 Ų35.24%0.03819%0.192CC..Hα-helixtrans-58-30175.772.1-161.2171.5106.73.2113.5M30 K31 P32 M37 T38 G300 G301 I305 V308 W312M30-R34 PolarHBondContact SD-NH2 3.49Å; K31-R34 WeakPolarHBondContact O-CD 3.41Å; K31-R34 VanDerWaalsContact O-CG 3.23Å; K31-R34 WeakPolarHBondContact O-CG 3.46Å; K31-R34 PolarHBondContact O-N 2.92Å; P32-R34 PolarHBondContact O-N 3.41Å; R34-M37 PolarHBondContact O-N 3Å; R34-T38 PolarHBondContact O-N 2.71Å; R34-T38 PolarHBondContact O-OG1 3.49Å; R34-G300 VanDerWaalsContact CZ-O 3.24Å; R34-G300 PolarHBondContact NH1-O 3.4Å; R34-G300 PolarHBondContact NH2-O 2.96Å; R34-G301 PolarHBondContact NH1-O 3.33Å; R34-G301 VanDerWaalsContact NH1-O 3.14Å; R34-I305 HydrophobicContact CB-CB 3.94Å; R34-I305 HydrophobicContact CB-CG2 3.9Å; R34-V308 HydrophobicContact CB-CB 4.39Å; R34-V308 HydrophobicContact CB-CG1 4.21Å; R34-V308 HydrophobicContact CG-CG1 4.07Å; R34-W312 HydrophobicContact CG-CZ3 4.25Å; R34-W312 VanDerWaalsContact NH1-CZ2 3.34Å
35I98.8Very high98Very high4 Ų436.4 Ų36.42%0.02120%0.196CC..Hα-helixtrans-69.3-42.7176.8-57.2156.9000109.6Y15 V19 P32 H33 T38 H39 A136 W312Y15-I35 HydrophobicContact CD2-CG2 4.1Å; Y15-I35 HydrophobicContact CE2-CG2 4.14Å; V19-I35 HydrophobicContact CG1-CB 4.07Å; V19-I35 HydrophobicContact CG1-CD1 4.37Å; V19-I35 HydrophobicContact CG1-CG2 3.75Å; V19-I35 HydrophobicContact CG2-CD1 3.77Å; P32-I35 WeakPolarHBondContact O-CB 3.49Å; P32-I35 PolarHBondContact O-N 2.94Å; H33-I35 PolarHBondContact O-N 3.35Å; I35-T38 WeakPolarHBondContact O-CB 3.43Å; I35-T38 PolarHBondContact O-N 2.87Å; I35-H39 PolarHBondContact O-N 3.26Å; I35-A136 HydrophobicContact CD1-CB 3.91Å; I35-A136 HydrophobicContact CG2-CB 4.48Å; I35-W312 HydrophobicContact CG1-CZ3 4.08Å
36R98.8Very high98.1Very high87 Ų8736.2 Ų36.233%0.32819%0.194SC..Hα-helixtrans-65.5-39.2175.3-177.9170.8179.7169.31.1112.3N21 H33 T38 H39 N40 Y333N21-R36 PolarHBondContact OD1-NH1 3.25Å; H33-R36 WeakPolarHBondContact O-CB 3.31Å; H33-R36 PolarHBondContact O-N 2.99Å; R36-T38 VanDerWaalsContact C-N 3.34Å; R36-H39 PolarHBondContact O-N 3.01Å; R36-N40 WeakPolarHBondContact O-CB 3.08Å; R36-N40 PolarHBondContact O-N 3.24Å; R36-Y333 WeakPolarHBondContact CD-OH 3.46Å; R36-Y333 HydrophobicContact CG-CE2 4.23Å; R36-Y333 PolarHBondContact NE-OH 2.88Å
37M98.8Very high98.2Very high0 Ų027.3 Ų27.30%015%0.153CC..Hα-helixtrans-61-43.7172.7-66.1177.47100111.7H33 R34 N40 L41 I305 A309 Y333 Y336 F337H33-M37 PolarHBondContact O-N 3.38Å; R34-M37 PolarHBondContact O-N 3Å; M37-N40 PolarHBondContact O-N 3.23Å; M37-L41 PolarHBondContact O-N 2.79Å; M37-I305 HydrophobicContact SD-CB 4.34Å; M37-I305 HydrophobicContact SD-CD1 3.84Å; M37-I305 HydrophobicContact SD-CG1 4.11Å; M37-A309 HydrophobicContact CB-CB 3.81Å; M37-Y333 HydrophobicContact CB-CD2 4.28Å; M37-Y333 HydrophobicContact CG-CD2 3.89Å; M37-Y333 HydrophobicContact CG-CE2 4.3Å; M37-Y333 HydrophobicContact CG-CG 4.01Å; M37-Y336 HydrophobicContact CE-CD1 3.87Å; M37-Y336 HydrophobicContact CE-CG 3.89Å; M37-Y336 HydrophobicContact SD-CD1 4.44Å; M37-F337 HydrophobicContact CE-CE1 4.45Å; M37-F337 HydrophobicContact CE-CE2 4.36Å; M37-F337 HydrophobicContact CE-CZ 3.88Å
38T98.9Very high98.2Very high0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-59.2-51.5175.2-53.40000110.4R34 I35 R36 N40 L41 L42 A309 W312R34-T38 PolarHBondContact O-N 2.71Å; R34-T38 PolarHBondContact O-OG1 3.49Å; I35-T38 WeakPolarHBondContact O-CB 3.43Å; I35-T38 PolarHBondContact O-N 2.87Å; R36-T38 VanDerWaalsContact C-N 3.34Å; T38-N40 VanDerWaalsContact C-N 3.33Å; T38-N40 PolarHBondContact O-N 3.49Å; T38-L41 PolarHBondContact O-N 2.92Å; T38-L41 VanDerWaalsContact O-N 3.14Å; T38-L42 HydrophobicContact CG2-CD1 4.19Å; T38-L42 HydrophobicContact CG2-CG 4.42Å; T38-L42 WeakPolarHBondContact O-CG 3.39Å; T38-L42 PolarHBondContact O-N 3.39Å; T38-A309 WeakPolarHBondContact OG1-CA 3.48Å; T38-W312 HydrophobicContact CG2-CB 3.6Å; T38-W312 HydrophobicContact CG2-CE3 4.44Å
39H98.8Very high98Very high27 Ų2731.9 Ų31.913%0.12515%0.147CC..Hα-helixtrans-56.2-45.7179.2-175.771.4000112.3Y13 Y15 I35 R36 L41 L42 L43Y13-H39 AromaticContact CE1-ND1 3.45Å; Y13-H39 WeakPolarHBondContact CE1-ND1 3.48Å; Y13-H39 AromaticContact CZ-ND1 3.96Å; Y15-H39 HydrophobicContact CD1-CB 4.49Å; Y15-H39 AromaticContact CD1-CD2 3.71Å; Y15-H39 AromaticContact CD1-CE1 3.44Å; Y15-H39 VanDerWaalsContact CD1-CE1 3.44Å; Y15-H39 WeakPolarHBondContact CD1-CE1 3.25Å; Y15-H39 AromaticContact CD1-CG 3.67Å; Y15-H39 AromaticContact CD1-ND1 3.52Å; Y15-H39 AromaticContact CD1-NE2 3.56Å; Y15-H39 HydrophobicContact CD2-CB 3.96Å; Y15-H39 AromaticContact CD2-CG 3.97Å; Y15-H39 HydrophobicContact CE1-CB 4.23Å; Y15-H39 AromaticContact CE1-CD2 3.28Å; Y15-H39 WeakPolarHBondContact CE1-CD2 3.24Å; Y15-H39 AromaticContact CE1-CE1 3.85Å; Y15-H39 AromaticContact CE1-CG 3.55Å; Y15-H39 AromaticContact CE1-ND1 3.9Å; Y15-H39 AromaticContact CE1-NE2 3.49Å; Y15-H39 WeakPolarHBondContact CE1-NE2 3.42Å; Y15-H39 HydrophobicContact CE2-CB 3.66Å; Y15-H39 AromaticContact CE2-CG 3.87Å; Y15-H39 HydrophobicContact CG-CB 4.36Å; Y15-H39 AromaticContact CG-CE1 3.96Å; Y15-H39 AromaticContact CG-CG 3.87Å; Y15-H39 AromaticContact CG-ND1 3.61Å; Y15-H39 AromaticContact CZ-CD2 3.63Å; Y15-H39 AromaticContact CZ-CG 3.65Å; I35-H39 PolarHBondContact O-N 3.26Å; R36-H39 PolarHBondContact O-N 3.01Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 2.94Å; H39-L42 WeakPolarHBondContact O-CB 3.28Å; H39-L42 PolarHBondContact O-N 2.95Å; H39-L43 WeakPolarHBondContact O-CG 3.47Å; H39-L43 PolarHBondContact O-N 2.67Å
40N98.5Very high98Very high17 Ų1734.3 Ų34.39%0.09116%0.155CC..Hα-helixtrans-64.9-36.2179.1-161.5-105.2000112.3R36 M37 T38 N44 N331 D332 Y333R36-N40 WeakPolarHBondContact O-CB 3.08Å; R36-N40 PolarHBondContact O-N 3.24Å; M37-N40 PolarHBondContact O-N 3.23Å; T38-N40 VanDerWaalsContact C-N 3.33Å; T38-N40 PolarHBondContact O-N 3.49Å; N40-N44 PolarHBondContact O-N 3.32Å; N40-N44 VanDerWaalsContact O-N 3.12Å; N40-N44 PolarHBondContact O-ND2 3.33Å; N40-N44 PolarHBondContact OD1-ND2 2.92Å; N40-N331 VanDerWaalsContact OD1-CB 3.28Å; N40-N331 WeakPolarHBondContact OD1-CB 3.31Å; N40-D332 PolarHBondContact ND2-OD2 2.82Å; N40-D332 PolarHBondContact OD1-N 2.68Å; N40-Y333 HydrophobicContact CB-CD2 4.09Å; N40-Y333 HydrophobicContact CB-CE2 3.97Å
41L98.6Very high98Very high0 Ų033.5 Ų33.50%015%0.151CC..Hα-helixtrans-65.8-43.5171.7-78.2-178.9000112.4M37 T38 H39 L43 N44 Y45 A309 T313 L328 N331 F337M37-L41 PolarHBondContact O-N 2.79Å; T38-L41 PolarHBondContact O-N 2.92Å; T38-L41 VanDerWaalsContact O-N 3.14Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 2.94Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 2.74Å; L41-N44 PolarHBondContact O-N 3.38Å; L41-Y45 WeakPolarHBondContact O-CB 3.41Å; L41-Y45 WeakPolarHBondContact O-CD2 3.5Å; L41-Y45 PolarHBondContact O-N 3.23Å; L41-A309 HydrophobicContact CD1-CB 3.97Å; L41-T313 HydrophobicContact CB-CG2 4.07Å; L41-T313 WeakPolarHBondContact CB-OG1 3.41Å; L41-L328 HydrophobicContact CD1-CD2 4.42Å; L41-L328 HydrophobicContact CD2-CD2 4.03Å; L41-N331 HydrophobicContact CD2-CB 4.45Å; L41-N331 WeakPolarHBondContact CD2-ND2 3.47Å; L41-F337 HydrophobicContact CD1-CE1 4Å; L41-F337 HydrophobicContact CD1-CE2 4.37Å; L41-F337 HydrophobicContact CD1-CZ 3.61Å; L41-F337 HydrophobicContact CD2-CE2 4.23Å; L41-F337 HydrophobicContact CD2-CZ 4.29Å; L41-F337 HydrophobicContact CG-CE2 4.46Å; L41-F337 HydrophobicContact CG-CZ 4.1Å
42L98.5Very high97.9Very high1 Ų132 Ų321%0.00515%0.145CC..Hα-helixtrans-57.9-41.7177-66.4173.4000111.8Y13 T38 H39 G46 L47 M51 T313 T316Y13-L42 HydrophobicContact CE1-CD1 4.47Å; Y13-L42 HydrophobicContact CE2-CD1 4.04Å; T38-L42 HydrophobicContact CG2-CD1 4.19Å; T38-L42 HydrophobicContact CG2-CG 4.42Å; T38-L42 WeakPolarHBondContact O-CG 3.39Å; T38-L42 PolarHBondContact O-N 3.39Å; H39-L42 WeakPolarHBondContact O-CB 3.28Å; H39-L42 PolarHBondContact O-N 2.95Å; L42-G46 PolarHBondContact O-N 3.16Å; L42-L47 HydrophobicContact CD2-CB 4.37Å; L42-L47 HydrophobicContact CD2-CD1 3.62Å; L42-L47 PolarHBondContact O-N 3.01Å; L42-M51 HydrophobicContact CD1-CE 4.25Å; L42-T313 HydrophobicContact CD2-CG2 4.13Å; L42-T316 HydrophobicContact CD1-CG2 4.39Å; L42-T316 HydrophobicContact CD2-CG2 3.71Å
43L97.9Very high97.9Very high59 Ų5932.5 Ų32.531%0.30915%0.148SC..Hα-helixtrans-61.1-51.8174.9-69.1175.4000111.3H39 L41 Y45 G46 Y48H39-L43 WeakPolarHBondContact O-CG 3.47Å; H39-L43 PolarHBondContact O-N 2.67Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 2.74Å; L43-Y45 VanDerWaalsContact C-N 3.32Å; L43-Y45 PolarHBondContact O-N 2.8Å; L43-G46 WeakPolarHBondContact O-CA 3.43Å; L43-G46 PolarHBondContact O-N 3.13Å; L43-Y48 HydrophobicContact CD2-CD1 4.01Å; L43-Y48 HydrophobicContact CD2-CD2 4.31Å; L43-Y48 HydrophobicContact CD2-CG 3.77Å; L43-Y48 WeakPolarHBondContact O-CD1 3.37Å; L43-Y48 WeakPolarHBondContact O-CE1 3.33Å
44N98.4Very high97.9Very high71 Ų7131.9 Ų31.938%0.3814%0.144SC..Hα-helixtrans-73-21.7-175.3-73.6-67.7000113.7N40 L41 G46 P329 Y330 N331N40-N44 PolarHBondContact O-N 3.32Å; N40-N44 VanDerWaalsContact O-N 3.12Å; N40-N44 PolarHBondContact O-ND2 3.33Å; N40-N44 PolarHBondContact OD1-ND2 2.92Å; L41-N44 PolarHBondContact O-N 3.38Å; N44-G46 VanDerWaalsContact C-N 3.27Å; N44-P329 HydrophobicContact CB-CB 3.97Å; N44-P329 HydrophobicContact CB-CG 3.7Å; N44-P329 WeakPolarHBondContact O-CB 3.47Å; N44-Y330 WeakPolarHBondContact CB-O 3.4Å; N44-Y330 PolarHBondContact OD1-O 3.21Å; N44-Y330 VanDerWaalsContact OD1-O 3.13Å; N44-N331 HydrophobicContact CB-CB 4.3Å; N44-N331 WeakPolarHBondContact ND2-CB 3.48Å
45Y98.5Very high97.8Very high31 Ų3139 Ų3912%0.12217%0.17CC..THydrogen-bonded Turntrans-78.5-8.7167.1-89.6-67.2000113.4L41 L43 L47 T313 I324 P325 E327 L328 P329 L343L41-Y45 WeakPolarHBondContact O-CB 3.41Å; L41-Y45 WeakPolarHBondContact O-CD2 3.5Å; L41-Y45 PolarHBondContact O-N 3.23Å; L43-Y45 VanDerWaalsContact C-N 3.32Å; L43-Y45 PolarHBondContact O-N 2.8Å; Y45-L47 VanDerWaalsContact C-N 3.27Å; Y45-L47 PolarHBondContact O-N 3.05Å; Y45-T313 HydrophobicContact CD2-CG2 3.6Å; Y45-T313 HydrophobicContact CE2-CG2 3.85Å; Y45-I324 HydrophobicContact CD1-CB 3.87Å; Y45-I324 HydrophobicContact CD1-CD1 4.38Å; Y45-I324 HydrophobicContact CD1-CG2 4.07Å; Y45-I324 HydrophobicContact CD2-CD1 4.39Å; Y45-I324 HydrophobicContact CE1-CB 3.9Å; Y45-I324 HydrophobicContact CE1-CD1 4.28Å; Y45-I324 HydrophobicContact CE1-CG1 4.48Å; Y45-I324 HydrophobicContact CE2-CD1 4.29Å; Y45-I324 HydrophobicContact CG-CD1 4.43Å; Y45-I324 HydrophobicContact CG-CG2 4.49Å; Y45-P325 HydrophobicContact CE1-CG 3.97Å; Y45-P325 WeakPolarHBondContact CE1-O 3.24Å; Y45-P325 PolarHBondContact OH-O 3.38Å; Y45-E327 PolarHBondContact OH-O 2.81Å; Y45-L328 HydrophobicContact CE2-CD2 3.97Å; Y45-P329 HydrophobicContact CD1-CG 4.15Å; Y45-P329 HydrophobicContact CD2-CG 3.9Å; Y45-P329 HydrophobicContact CE1-CG 4.31Å; Y45-P329 VanDerWaalsContact CE2-CD 3.45Å; Y45-P329 HydrophobicContact CE2-CG 4.07Å; Y45-P329 HydrophobicContact CG-CG 3.95Å; Y45-L343 HydrophobicContact CE2-CD1 4.31Å
46G97.8Very high97.7Very high19 Ų1939.3 Ų39.320%0.19617%0.173CC..THydrogen-bonded Turntrans74.712.5-176.900000114.3L42 L43 N44 Y48 R49L42-G46 PolarHBondContact O-N 3.16Å; L43-G46 WeakPolarHBondContact O-CA 3.43Å; L43-G46 PolarHBondContact O-N 3.13Å; N44-G46 VanDerWaalsContact C-N 3.27Å; G46-Y48 VanDerWaalsContact C-N 3.26Å; G46-Y48 PolarHBondContact O-N 2.85Å; G46-R49 PolarHBondContact O-N 3.32Å
47L97.6Very high97.5Very high1 Ų138.2 Ų38.21%0.00517%0.171CC..G310 helixtrans-68.8-27.7-179.7-66.4175.7000112.3L42 Y45 R49 K50 A317 L320 T322 I324L42-L47 HydrophobicContact CD2-CB 4.37Å; L42-L47 HydrophobicContact CD2-CD1 3.62Å; L42-L47 PolarHBondContact O-N 3.01Å; Y45-L47 VanDerWaalsContact C-N 3.27Å; Y45-L47 PolarHBondContact O-N 3.05Å; L47-R49 PolarHBondContact O-N 3.18Å; L47-K50 PolarHBondContact O-N 2.94Å; L47-A317 HydrophobicContact CD1-CB 3.99Å; L47-A317 HydrophobicContact CD2-CB 4.27Å; L47-L320 HydrophobicContact CB-CD1 4.02Å; L47-L320 HydrophobicContact CD2-CD1 3.99Å; L47-L320 HydrophobicContact CG-CD1 4.49Å; L47-T322 HydrophobicContact CD2-CG2 3.94Å; L47-I324 HydrophobicContact CD1-CG2 4.37Å; L47-I324 HydrophobicContact CD2-CG2 3.84Å; L47-I324 HydrophobicContact CG-CG2 4.33Å
48Y95.1Very high97.5Very high83 Ų8342.4 Ų42.433%0.32519%0.189SC..G310 helixtrans-55.5-30.9175.879.9-84.7000113.3L43 G46 K50 M51L43-Y48 HydrophobicContact CD2-CD1 4.01Å; L43-Y48 HydrophobicContact CD2-CD2 4.31Å; L43-Y48 HydrophobicContact CD2-CG 3.77Å; L43-Y48 WeakPolarHBondContact O-CD1 3.37Å; L43-Y48 WeakPolarHBondContact O-CE1 3.33Å; G46-Y48 VanDerWaalsContact C-N 3.26Å; G46-Y48 PolarHBondContact O-N 2.85Å; Y48-K50 PolarHBondContact O-N 3.35Å; Y48-M51 VanDerWaalsContact O-O 3.12Å
49R94.7Very high97.4Very high105 Ų10542.4 Ų42.440%0.39619%0.189SC..G310 helixtrans-69-12.9179.2-57.4-175.9-174.2-162-0.7113.2G46 L47 I414 A415 D422G46-R49 PolarHBondContact O-N 3.32Å; L47-R49 PolarHBondContact O-N 3.18Å; R49-I414 WeakPolarHBondContact O-CG2 3.43Å; R49-A415 HydrophobicContact CB-CB 4.17Å; R49-A415 PolarHBondContact O-N 2.94Å; R49-D422 IonicContact CZ-OD1 3.18Å; R49-D422 IonicContact NH1-OD1 3.49Å; R49-D422 PolarHBondContact NH1-OD1 3.32Å; R49-D422 VanDerWaalsContact NH1-OD1 3.09Å; R49-D422 IonicContact NH2-OD1 2.82Å
50K96.7Very high97.3Very high78 Ų7844.5 Ų44.534%0.33920%0.201SC..G310 helixtrans-112.33.4-170.9-56.2-174.2-176.8-173.10113.6L47 Y48 L320 T322L47-K50 PolarHBondContact O-N 2.94Å; Y48-K50 PolarHBondContact O-N 3.35Å; K50-L320 HydrophobicContact CB-CD1 4.26Å; K50-L320 HydrophobicContact CB-CD2 4Å; K50-L320 WeakPolarHBondContact O-CD2 3.45Å; K50-T322 HydrophobicContact CD-CG2 4.41Å; K50-T322 WeakPolarHBondContact CD-OG1 3.47Å; K50-T322 VanDerWaalsContact NZ-CG2 3.26Å; K50-T322 PolarHBondContact NZ-OG1 3.38Å
51M97.4Very high97.3Very high1 Ų144.9 Ų44.91%0.00521%0.207CC..SBendtrans-139.3154.9178.954.3-170.4-17400110.4V11 Y13 L42 Y48 I53 T316 L320V11-M51 HydrophobicContact CB-CB 4.1Å; V11-M51 HydrophobicContact CG1-CB 4.2Å; V11-M51 WeakPolarHBondContact O-CA 3.29Å; V11-M51 WeakPolarHBondContact O-CB 3.37Å; Y13-M51 VanDerWaalsContact CB-SD 3.53Å; Y13-M51 HydrophobicContact CD1-CE 3.83Å; Y13-M51 HydrophobicContact CD2-CE 4.47Å; Y13-M51 HydrophobicContact CE1-CE 4.5Å; Y13-M51 HydrophobicContact CG-CE 3.8Å; Y13-M51 HydrophobicContact CG-SD 4Å; L42-M51 HydrophobicContact CD1-CE 4.25Å; Y48-M51 VanDerWaalsContact O-O 3.12Å; M51-I53 HydrophobicContact CE-CD1 4.11Å; M51-I53 HydrophobicContact CE-CG1 4.28Å; M51-I53 HydrophobicContact CG-CG1 4.24Å; M51-T316 HydrophobicContact CE-CG2 4.33Å; M51-T316 HydrophobicContact SD-CG2 3.83Å; M51-L320 HydrophobicContact CB-CD2 4.16Å; M51-L320 HydrophobicContact SD-CD1 4.36Å
52E97.5Very high97.1Very high28 Ų2852 Ų5213%0.13124%0.241CC..EExtended strand (participates in β ladder)trans-81.2122.5171.3-60-174.5171.700109.3K10 V11 C12 Y13 Y54 I414K10-E52 WeakPolarHBondContact CE-OE1 3.45Å; K10-E52 WeakPolarHBondContact CE-OE2 3.25Å; K10-E52 IonicContact NZ-OE1 2.74Å; K10-E52 PolarHBondContact NZ-OE1 2.73Å; K10-E52 IonicContact NZ-OE2 2.58Å; K10-E52 PolarHBondContact NZ-OE2 3.31Å; V11-E52 PolarHBondContact O-N 3.28Å; C12-E52 CarbonylContact C-O 3.56Å; C12-E52 WeakPolarHBondContact CA-O 3.44Å; Y13-E52 PolarHBondContact N-O 3.44Å; E52-Y54 HydrophobicContact CB-CD2 4.2Å; E52-Y54 HydrophobicContact CB-CE2 3.45Å; E52-Y54 VanDerWaalsContact CB-CE2 3.45Å; E52-Y54 HydrophobicContact CG-CE2 4.47Å; E52-Y54 WeakPolarHBondContact OE2-CE2 3.37Å; E52-Y54 PolarHBondContact OE2-OH 3.24Å; E52-I414 HydrophobicContact CG-CD1 3.76Å; E52-I414 HydrophobicContact CG-CG1 4.19Å
53I97.8Very high97Very high12 Ų1252.4 Ų52.46%0.06224%0.242CC..EExtended strand (participates in β ladder)trans-98.6128.3178.8-59.6-177.5000109.6Y13 M51 D411Y13-I53 HydrophobicContact CD1-CD1 4.34Å; Y13-I53 HydrophobicContact CD1-CG1 4.06Å; Y13-I53 HydrophobicContact CD1-CG2 4.12Å; Y13-I53 CarbonylContact O-C 3.57Å; Y13-I53 WeakPolarHBondContact O-CA 3.46Å; M51-I53 HydrophobicContact CE-CD1 4.11Å; M51-I53 HydrophobicContact CE-CG1 4.28Å; M51-I53 HydrophobicContact CG-CG1 4.24Å; I53-D411 HydrophobicContact CB-CB 4.26Å; I53-D411 PolarHBondContact N-O 3.5Å
54Y97.9Very high97Very high35 Ų3549.6 Ų49.614%0.13723%0.228CC..EExtended strand (participates in β ladder)trans-120.9140.6178.7-68.1-89.5000110.8C12 Y13 Y14 Y15 E52 K123 K412C12-Y54 HydrophobicContact CB-CD2 4.22Å; C12-Y54 HydrophobicContact CB-CE2 4.13Å; Y13-Y54 PolarHBondContact O-N 3.2Å; Y14-Y54 WeakPolarHBondContact CA-O 3.42Å; Y14-Y54 HydrophobicContact CE1-CG 4.21Å; Y15-Y54 PolarHBondContact N-O 3.29Å; E52-Y54 HydrophobicContact CB-CD2 4.2Å; E52-Y54 HydrophobicContact CB-CE2 3.45Å; E52-Y54 VanDerWaalsContact CB-CE2 3.45Å; E52-Y54 HydrophobicContact CG-CE2 4.47Å; E52-Y54 WeakPolarHBondContact OE2-CE2 3.37Å; E52-Y54 PolarHBondContact OE2-OH 3.24Å; Y54-K123 PolarHBondContact OH-NZ 3.49Å; Y54-K412 HydrophobicContact CE1-CD 4.14Å; Y54-K412 HydrophobicContact CE1-CG 4.13Å
55R97.8Very high97Very high160 Ų16048.1 Ų48.160%0.60422%0.221SC*.PPolyproline II helixtrans-84.6122.3164.9-171.3178.4179.5161.49.7108.6Y15 D16 D18Y15-R55 WeakPolarHBondContact O-CA 3.3Å; D16-R55 HydrophobicContact CB-CG 4.44Å; D16-R55 IonicContact OD1-CZ 2.77Å; D16-R55 IonicContact OD1-NE 2.67Å; D16-R55 IonicContact OD1-NH2 3.72Å; D16-R55 PolarHBondContact OD1-NH2 2.97Å; D16-R55 IonicContact OD2-CZ 3.06Å; D16-R55 IonicContact OD2-NE 3.33Å; D16-R55 PolarHBondContact OD2-NE 3.28Å; D16-R55 IonicContact OD2-NH2 3.35Å; D16-R55 PolarHBondContact OD2-NH2 3.08Å; D18-R55 IonicContact OD2-NH2 3.75Å; D18-R55 PolarHBondContact OD2-NH2 3.2Å
56P96.3Very high97Very high10 Ų1051.4 Ų51.47%0.06524%0.236CC..PPolyproline II helixtrans-68.2146.5179.329.2-35000111.2Y14 Y15 D16Y14-P56 HydrophobicContact CD1-CB 4.36Å; Y15-P56 VanDerWaalsContact C-CD 3.5Å; Y15-P56 WeakPolarHBondContact O-CD 3.27Å; D16-P56 HydrophobicContact CB-CG 4.07Å
57H94.7Very high97Very high65 Ų6551.7 Ų51.730%0.30123%0.231SC..PPolyproline II helixtrans-70.4155.5166.270.8-66.4000109.9A59 E63 G115 I389H57-A59 PolarHBondContact O-N 3.13Å; H57-E63 IonicContact CD2-OE2 3.68Å; H57-E63 IonicContact CE1-OE1 3.85Å; H57-E63 IonicContact NE2-OE1 3.76Å; H57-E63 PolarHBondContact NE2-OE1 2.87Å; H57-E63 IonicContact NE2-OE2 3.37Å; H57-E63 PolarHBondContact NE2-OE2 3.45Å; H57-G115 WeakPolarHBondContact O-CA 3.22Å; H57-I389 WeakPolarHBondContact CE1-CD1 3.48Å
58K98.3Very high97.1Very high87 Ų8751.8 Ų51.838%0.37823%0.232SC..  trans-73.9108.4171.2-74.6-175.5175.6-178.10108.3N60 E108 Q111 L112K58-N60 PolarHBondContact O-N 3.1Å; K58-E108 VanDerWaalsContact NZ-CD 3.25Å; K58-E108 IonicContact NZ-OE1 2.93Å; K58-E108 PolarHBondContact NZ-OE1 2.88Å; K58-E108 IonicContact NZ-OE2 3.89Å; K58-Q111 HydrophobicContact CB-CB 3.92Å; K58-Q111 HydrophobicContact CG-CB 4.27Å; K58-L112 HydrophobicContact CG-CD2 3.94Å
59A97.8Very high97.3Very high0 Ų048.8 Ų48.80%022%0.223CC..  trans-55.8132.4178.700000110.8H57 E63 M64 Q111 T114H57-A59 PolarHBondContact O-N 3.13Å; A59-E63 WeakPolarHBondContact CA-OE2 3.35Å; A59-E63 WeakPolarHBondContact CB-OE2 3.32Å; A59-M64 HydrophobicContact CB-CE 4.1Å; A59-Q111 PolarHBondContact N-O 2.79Å; A59-Q111 VanDerWaalsContact N-O 3.11Å; A59-Q111 WeakPolarHBondContact O-CG 3.4Å; A59-Q111 PolarHBondContact O-NE2 3.27Å; A59-T114 HydrophobicContact CB-CG2 3.74Å
60N96.1Very high97.4Very high71 Ų7149.5 Ų49.538%0.3824%0.235SC..  trans-87.8173.2-176.571.531.1000111.1K58 E62 E63 M64K58-N60 PolarHBondContact O-N 3.1Å; N60-E62 VanDerWaalsContact C-N 3.26Å; N60-E62 PolarHBondContact O-N 3.37Å; N60-E62 WeakPolarHBondContact OD1-CA 3.36Å; N60-E62 VanDerWaalsContact OD1-CB 3.29Å; N60-E62 WeakPolarHBondContact OD1-CB 3.34Å; N60-E62 PolarHBondContact OD1-N 2.89Å; N60-E63 PolarHBondContact N-OE2 3.43Å; N60-E63 PolarHBondContact O-N 3.36Å; N60-E63 PolarHBondContact OD1-N 2.85Å; N60-M64 WeakPolarHBondContact O-CG 3.25Å; N60-M64 PolarHBondContact O-N 3.09Å
61A97.1Very high97.5Very high26 Ų2648.8 Ų48.822%0.21524%0.235CC..Hα-helixtrans-64.6-30.9-18000000112.8M64 T65 I73A61-M64 PolarHBondContact O-N 2.93Å; A61-T65 VanDerWaalsContact O-CG2 3.3Å; A61-T65 WeakPolarHBondContact O-CG2 3.38Å; A61-T65 PolarHBondContact O-N 2.87Å; A61-T65 PolarHBondContact O-OG1 2.87Å; A61-T65 VanDerWaalsContact O-OG1 3.07Å; A61-I73 HydrophobicContact CB-CG2 3.83Å
62E95.8Very high97.6Very high149 Ų14948.7 Ų48.770%0.69623%0.234SC*.Hα-helixtrans-67.3-39.8179.8178.3-179.6-174.300111.8N60 T65N60-E62 VanDerWaalsContact C-N 3.26Å; N60-E62 PolarHBondContact O-N 3.37Å; N60-E62 WeakPolarHBondContact OD1-CA 3.36Å; N60-E62 VanDerWaalsContact OD1-CB 3.29Å; N60-E62 WeakPolarHBondContact OD1-CB 3.34Å; N60-E62 PolarHBondContact OD1-N 2.89Å; E62-T65 PolarHBondContact O-OG1 3Å
63E95.3Very high97.6Very high10 Ų1047.4 Ų47.45%0.04723%0.228CC..Hα-helixtrans-64.5-46172.6-67.7170.6123.700110.9H57 A59 N60 T65 K66 L158H57-E63 IonicContact CD2-OE2 3.68Å; H57-E63 IonicContact CE1-OE1 3.85Å; H57-E63 IonicContact NE2-OE1 3.76Å; H57-E63 PolarHBondContact NE2-OE1 2.87Å; H57-E63 IonicContact NE2-OE2 3.37Å; H57-E63 PolarHBondContact NE2-OE2 3.45Å; A59-E63 WeakPolarHBondContact CA-OE2 3.35Å; A59-E63 WeakPolarHBondContact CB-OE2 3.32Å; N60-E63 PolarHBondContact N-OE2 3.43Å; N60-E63 PolarHBondContact O-N 3.36Å; N60-E63 PolarHBondContact OD1-N 2.85Å; E63-T65 PolarHBondContact O-N 2.89Å; E63-K66 WeakPolarHBondContact O-CB 3.14Å; E63-K66 PolarHBondContact O-N 2.66Å; E63-L158 WeakPolarHBondContact O-CD2 3.49Å
64M98.5Very high97.7Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-65.6-36-178.2-66.3-179.6-179.800113.1A59 N60 A61 K66 Y67 H68 I73 F107 C110 Q111 T114 V153 L158A59-M64 HydrophobicContact CB-CE 4.1Å; N60-M64 WeakPolarHBondContact O-CG 3.25Å; N60-M64 PolarHBondContact O-N 3.09Å; A61-M64 PolarHBondContact O-N 2.93Å; M64-K66 PolarHBondContact O-N 3.5Å; M64-Y67 PolarHBondContact O-N 3.09Å; M64-H68 WeakPolarHBondContact O-CB 3.47Å; M64-H68 PolarHBondContact O-CD2 3.41Å; M64-H68 PolarHBondContact O-N 3.09Å; M64-I73 HydrophobicContact CB-CD1 3.8Å; M64-I73 HydrophobicContact CB-CG1 3.97Å; M64-I73 HydrophobicContact CB-CG2 4.25Å; M64-I73 HydrophobicContact SD-CD1 4.21Å; M64-I73 HydrophobicContact SD-CG2 4.34Å; M64-F107 HydrophobicContact SD-CE2 3.96Å; M64-F107 HydrophobicContact SD-CZ 4.16Å; M64-C110 HydrophobicContact CE-CB 4.31Å; M64-Q111 HydrophobicContact CE-CB 4.23Å; M64-Q111 HydrophobicContact CE-CG 3.78Å; M64-T114 HydrophobicContact CG-CG2 4.44Å; M64-V153 HydrophobicContact CG-CG1 4.14Å; M64-V153 HydrophobicContact SD-CG1 4.34Å; M64-V153 HydrophobicContact SD-CG2 4.02Å; M64-L158 HydrophobicContact CG-CD1 4.5Å
65T98.6Very high97.7Very high40 Ų4051.7 Ų51.725%0.24525%0.247CC..THydrogen-bonded Turntrans-78.8-1.7-179.658.50000114A61 E62 E63 Y67 H68 D70 I73A61-T65 VanDerWaalsContact O-CG2 3.3Å; A61-T65 WeakPolarHBondContact O-CG2 3.38Å; A61-T65 PolarHBondContact O-N 2.87Å; A61-T65 PolarHBondContact O-OG1 2.87Å; A61-T65 VanDerWaalsContact O-OG1 3.07Å; E62-T65 PolarHBondContact O-OG1 3Å; E63-T65 PolarHBondContact O-N 2.89Å; T65-Y67 PolarHBondContact O-N 3.47Å; T65-H68 WeakPolarHBondContact CA-O 3.5Å; T65-D70 WeakPolarHBondContact CB-OD1 2.99Å; T65-D70 WeakPolarHBondContact CG2-OD1 3.47Å; T65-I73 HydrophobicContact CG2-CB 3.87Å; T65-I73 HydrophobicContact CG2-CG1 3.75Å; T65-I73 HydrophobicContact CG2-CG2 4.26Å
66K98.4Very high97.7Very high100 Ų10044 Ų4444%0.43522%0.218SC..THydrogen-bonded Turntrans-58.2-26.9165-70.7-179.5176.6172.60112.3E63 M64 L158 E162E63-K66 WeakPolarHBondContact O-CB 3.14Å; E63-K66 PolarHBondContact O-N 2.66Å; M64-K66 PolarHBondContact O-N 3.5Å; K66-L158 HydrophobicContact CB-CD2 4.14Å; K66-E162 IonicContact NZ-OE2 2.96Å
67Y98.7Very high97.8Very high24 Ų2450.5 Ų50.59%0.09424%0.241CC..THydrogen-bonded Turntrans-116.6-55.1171.4172.5-122.8000112.3M64 T65 K144 N154 V157 A186M64-Y67 PolarHBondContact O-N 3.09Å; T65-Y67 PolarHBondContact O-N 3.47Å; Y67-K144 HydrophobicContact CE1-CB 4.45Å; Y67-K144 HydrophobicContact CE2-CB 4.1Å; Y67-K144 HydrophobicContact CE2-CG 4.37Å; Y67-K144 WeakPolarHBondContact O-CE 3.39Å; Y67-K144 WeakPolarHBondContact O-CG 3.26Å; Y67-K144 PolarHBondContact OH-N 3.2Å; Y67-N154 HydrophobicContact CD1-CB 4.37Å; Y67-N154 HydrophobicContact CE1-CB 4.1Å; Y67-V157 HydrophobicContact CD1-CB 4.1Å; Y67-V157 HydrophobicContact CD1-CG1 3.76Å; Y67-V157 HydrophobicContact CD2-CG1 3.58Å; Y67-V157 HydrophobicContact CE1-CB 4.31Å; Y67-V157 HydrophobicContact CE1-CG1 4.13Å; Y67-V157 HydrophobicContact CE1-CG2 4.34Å; Y67-V157 HydrophobicContact CE2-CG1 3.98Å; Y67-V157 HydrophobicContact CG-CB 4.3Å; Y67-V157 HydrophobicContact CG-CG1 3.47Å; Y67-V157 VanDerWaalsContact CG-CG1 3.47Å; Y67-A186 HydrophobicContact CE2-CB 3.7Å
68H98.8Very high98Very high4 Ų448.8 Ų48.82%0.01924%0.237CC..SBendtrans-72.6157.3-172.1-67.7-77.6000112.5M64 T65 Y72 I73 K143 K144 N154M64-H68 WeakPolarHBondContact O-CB 3.47Å; M64-H68 PolarHBondContact O-CD2 3.41Å; M64-H68 PolarHBondContact O-N 3.09Å; T65-H68 WeakPolarHBondContact CA-O 3.5Å; H68-Y72 HydrophobicContact CB-CD1 4.2Å; H68-Y72 AromaticContact ND1-CD1 3.87Å; H68-Y72 AromaticContact ND1-CE1 3.79Å; H68-I73 HydrophobicContact CB-CD1 3.6Å; H68-I73 HydrophobicContact CB-CG1 3.61Å; H68-K143 PolarHBondContact CE1-O 3.16Å; H68-K143 PolarHBondContact ND1-O 3Å; H68-K144 VanDerWaalsContact CA-O 3.27Å; H68-K144 WeakPolarHBondContact CA-O 3.25Å; H68-K144 PolarHBondContact ND1-O 2.83Å; H68-N154 PolarHBondContact CE1-N 3.47Å; H68-N154 PolarHBondContact NE2-N 2.91Å
69S98.6Very high98Very high20 Ų2045.1 Ų45.114%0.1422%0.221CC..  trans-69.4144174530000112.2D71 Y72 I73 K144 S145S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 VanDerWaalsContact CB-OD1 3.26Å; S69-D71 WeakPolarHBondContact CB-OD1 3.43Å; S69-D71 PolarHBondContact O-N 3.47Å; S69-D71 PolarHBondContact OG-OD1 3.07Å; S69-Y72 PolarHBondContact O-N 3.26Å; S69-Y72 WeakPolarHBondContact OG-CB 3.47Å; S69-I73 PolarHBondContact O-N 2.58Å; S69-I73 VanDerWaalsContact O-N 3.08Å; S69-K144 PolarHBondContact N-O 3.3Å; S69-S145 WeakPolarHBondContact CB-OG 3.48Å; S69-S145 WeakPolarHBondContact OG-CB 3.46Å; S69-S145 PolarHBondContact OG-OG 2.95Å
70D98.4Very high97.9Very high119 Ų11950.9 Ų50.964%0.63624%0.243SC*.Hα-helixtrans-58.4-38.3-179.6-62.7-60000112.5T65 K74T65-D70 WeakPolarHBondContact CB-OD1 2.99Å; T65-D70 WeakPolarHBondContact CG2-OD1 3.47Å; D70-K74 WeakPolarHBondContact O-CB 3.39Å; D70-K74 PolarHBondContact O-N 3.07Å
71D98.3Very high98Very high63 Ų6349.9 Ų49.934%0.33724%0.24SC..Hα-helixtrans-71.7-34.2-179.965.3-28.5000112.4S69 F75 R93 F94S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 VanDerWaalsContact CB-OD1 3.26Å; S69-D71 WeakPolarHBondContact CB-OD1 3.43Å; S69-D71 PolarHBondContact O-N 3.47Å; S69-D71 PolarHBondContact OG-OD1 3.07Å; D71-F75 WeakPolarHBondContact O-CB 3.25Å; D71-F75 PolarHBondContact O-N 2.68Å; D71-R93 IonicContact OD2-CZ 2.93Å; D71-R93 IonicContact OD2-NH1 3.56Å; D71-R93 PolarHBondContact OD2-NH1 3.36Å; D71-R93 IonicContact OD2-NH2 3.7Å; D71-R93 PolarHBondContact OD2-NH2 3.28Å; D71-F94 HydrophobicContact CB-CZ 4.49Å
72Y98.8Very high97.9Very high0 Ų054 Ų540%026%0.259CS..Hα-helixtrans-67.6-48.5173.8177.7-122.8000112.4H68 S69 K74 F75 L76 F94 A147 Y152H68-Y72 HydrophobicContact CB-CD1 4.2Å; H68-Y72 AromaticContact ND1-CD1 3.87Å; H68-Y72 AromaticContact ND1-CE1 3.79Å; S69-Y72 PolarHBondContact O-N 3.26Å; S69-Y72 WeakPolarHBondContact OG-CB 3.47Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.12Å; Y72-F75 HydrophobicContact CD2-CD1 4.34Å; Y72-F75 HydrophobicContact CE2-CD1 4.48Å; Y72-F75 WeakPolarHBondContact O-CB 3.46Å; Y72-F75 PolarHBondContact O-N 3.44Å; Y72-F75 VanDerWaalsContact O-N 3.12Å; Y72-L76 HydrophobicContact CD1-CD1 4.41Å; Y72-L76 HydrophobicContact CD2-CG 4.38Å; Y72-L76 HydrophobicContact CE1-CD1 3.79Å; Y72-L76 HydrophobicContact CE1-CG 4.45Å; Y72-L76 HydrophobicContact CE2-CD1 4.12Å; Y72-L76 HydrophobicContact CE2-CD2 3.99Å; Y72-L76 HydrophobicContact CE2-CG 3.95Å; Y72-L76 PolarHBondContact O-N 3.1Å; Y72-F94 HydrophobicContact CD2-CB 3.85Å; Y72-F94 AromaticContact CD2-CD1 3.67Å; Y72-F94 HydrophobicContact CD2-CD1 3.67Å; Y72-F94 HydrophobicContact CD2-CD2 4.36Å; Y72-F94 HydrophobicContact CD2-CE1 4.2Å; Y72-F94 AromaticContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CE2-CB 3.92Å; Y72-F94 HydrophobicContact CE2-CG 4.31Å; Y72-F94 HydrophobicContact CG-CD1 4.39Å; Y72-A147 WeakPolarHBondContact OH-CA 3.33Å; Y72-A147 PolarHBondContact OH-N 2.89Å; Y72-Y152 VanDerWaalsContact CE1-O 3.24Å; Y72-Y152 WeakPolarHBondContact CE1-O 3.49Å; Y72-Y152 WeakPolarHBondContact OH-CA 3.33Å; Y72-Y152 PolarHBondContact OH-O 2.73Å
73I98.7Very high98Very high1 Ų147.5 Ų47.51%0.00523%0.229CC..Hα-helixtrans-64.9-38.2177.6-62.4-54000111.2A61 M64 T65 H68 S69 F75 L76 R77 F107 V153A61-I73 HydrophobicContact CB-CG2 3.83Å; M64-I73 HydrophobicContact CB-CD1 3.8Å; M64-I73 HydrophobicContact CB-CG1 3.97Å; M64-I73 HydrophobicContact CB-CG2 4.25Å; M64-I73 HydrophobicContact SD-CD1 4.21Å; M64-I73 HydrophobicContact SD-CG2 4.34Å; T65-I73 HydrophobicContact CG2-CB 3.87Å; T65-I73 HydrophobicContact CG2-CG1 3.75Å; T65-I73 HydrophobicContact CG2-CG2 4.26Å; H68-I73 HydrophobicContact CB-CD1 3.6Å; H68-I73 HydrophobicContact CB-CG1 3.61Å; S69-I73 PolarHBondContact O-N 2.58Å; S69-I73 VanDerWaalsContact O-N 3.08Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.14Å; I73-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 PolarHBondContact O-N 2.96Å; I73-R77 WeakPolarHBondContact O-CB 3.49Å; I73-R77 PolarHBondContact O-N 3.43Å; I73-F107 HydrophobicContact CG2-CE2 4.31Å; I73-V153 HydrophobicContact CD1-CG2 4.16Å
74K98.4Very high98Very high134 Ų13450.1 Ų50.158%0.58324%0.242SC*.Hα-helixtrans-61.9-39.1173.2-175.6177.4179.5179.60112D70 Y72 S78D70-K74 WeakPolarHBondContact O-CB 3.39Å; D70-K74 PolarHBondContact O-N 3.07Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.12Å; K74-S78 WeakPolarHBondContact O-CB 3.41Å; K74-S78 PolarHBondContact O-N 2.95Å; K74-S78 PolarHBondContact O-OG 3.37Å
75F98.6Very high97.8Very high2 Ų254.8 Ų54.81%0.00927%0.274CS..Hα-helixtrans-62-52.8173.5162.5-101.7000111.4D71 Y72 I73 R77 S78 I79 Y87 Q90 M91 F94 V96D71-F75 WeakPolarHBondContact O-CB 3.25Å; D71-F75 PolarHBondContact O-N 2.68Å; Y72-F75 HydrophobicContact CD2-CD1 4.34Å; Y72-F75 HydrophobicContact CE2-CD1 4.48Å; Y72-F75 WeakPolarHBondContact O-CB 3.46Å; Y72-F75 PolarHBondContact O-N 3.44Å; Y72-F75 VanDerWaalsContact O-N 3.12Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.14Å; F75-R77 PolarHBondContact O-N 3.34Å; F75-S78 PolarHBondContact O-N 3.49Å; F75-I79 HydrophobicContact CD2-CB 4.3Å; F75-I79 HydrophobicContact CE1-CG2 4.32Å; F75-I79 HydrophobicContact CE2-CB 3.86Å; F75-I79 HydrophobicContact CE2-CD1 3.98Å; F75-I79 HydrophobicContact CE2-CG1 3.95Å; F75-I79 HydrophobicContact CE2-CG2 4.45Å; F75-I79 HydrophobicContact CZ-CB 4.03Å; F75-I79 HydrophobicContact CZ-CD1 4.33Å; F75-I79 HydrophobicContact CZ-CG1 3.94Å; F75-I79 HydrophobicContact CZ-CG2 4.2Å; F75-I79 WeakPolarHBondContact O-CB 3.43Å; F75-I79 WeakPolarHBondContact O-CG2 3.49Å; F75-I79 PolarHBondContact O-N 2.96Å; F75-Y87 AromaticContact CD2-CD1 3.8Å; F75-Y87 HydrophobicContact CD2-CD1 3.8Å; F75-Y87 HydrophobicContact CD2-CE1 4.36Å; F75-Y87 AromaticContact CE2-CD1 3.98Å; F75-Y87 HydrophobicContact CE2-CD1 3.98Å; F75-Y87 HydrophobicContact CE2-CG 4.4Å; F75-Q90 HydrophobicContact CD2-CB 3.76Å; F75-Q90 HydrophobicContact CE2-CB 3.84Å; F75-M91 HydrophobicContact CE2-CG 4.22Å; F75-M91 HydrophobicContact CZ-CG 3.99Å; F75-F94 HydrophobicContact CB-CD2 3.74Å; F75-F94 HydrophobicContact CB-CE2 3.48Å; F75-F94 VanDerWaalsContact CB-CE2 3.48Å; F75-F94 HydrophobicContact CB-CZ 4.39Å; F75-F94 HydrophobicContact CD1-CB 4.05Å; F75-F94 AromaticContact CD1-CD2 3.35Å; F75-F94 HydrophobicContact CD1-CD2 3.35Å; F75-F94 HydrophobicContact CD1-CE2 4.06Å; F75-F94 AromaticContact CD1-CG 3.99Å; F75-F94 HydrophobicContact CD1-CG 3.99Å; F75-F94 AromaticContact CD2-CD2 3.88Å; F75-F94 HydrophobicContact CD2-CD2 3.88Å; F75-F94 HydrophobicContact CD2-CE2 4.18Å; F75-F94 HydrophobicContact CE1-CB 3.94Å; F75-F94 AromaticContact CE1-CD2 3.87Å; F75-F94 HydrophobicContact CE1-CD2 3.87Å; F75-F94 HydrophobicContact CE1-CG 4.33Å; F75-F94 HydrophobicContact CE2-CD2 4.34Å; F75-F94 AromaticContact CG-CD2 3.35Å; F75-F94 HydrophobicContact CG-CD2 3.35Å; F75-F94 AromaticContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CG 4.4Å; F75-F94 HydrophobicContact CZ-CD2 4.33Å; F75-V96 HydrophobicContact CE1-CB 4.02Å; F75-V96 HydrophobicContact CE1-CG1 4.41Å; F75-V96 HydrophobicContact CE1-CG2 3.85Å; F75-V96 HydrophobicContact CZ-CB 4.13Å; F75-V96 HydrophobicContact CZ-CG1 4.36Å; F75-V96 HydrophobicContact CZ-CG2 4.47Å
76L98.5Very high97.8Very high0 Ų060.2 Ų60.20%030%0.297CS..Hα-helixtrans-57.9-35.9179-67.5-177.3000112.6Y72 I73 S78 V96 L106 F107 Y152 V153Y72-L76 HydrophobicContact CD1-CD1 4.41Å; Y72-L76 HydrophobicContact CD2-CG 4.38Å; Y72-L76 HydrophobicContact CE1-CD1 3.79Å; Y72-L76 HydrophobicContact CE1-CG 4.45Å; Y72-L76 HydrophobicContact CE2-CD1 4.12Å; Y72-L76 HydrophobicContact CE2-CD2 3.99Å; Y72-L76 HydrophobicContact CE2-CG 3.95Å; Y72-L76 PolarHBondContact O-N 3.1Å; I73-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 PolarHBondContact O-N 2.96Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.26Å; L76-V96 HydrophobicContact CD2-CG2 4.42Å; L76-L106 HydrophobicContact CD2-CD2 4.05Å; L76-F107 HydrophobicContact CB-CD2 3.96Å; L76-F107 HydrophobicContact CB-CE2 4.39Å; L76-Y152 HydrophobicContact CD2-CD1 4.28Å; L76-V153 HydrophobicContact CD1-CG2 3.84Å
77R98.1Very high97.7Very high146 Ų14658 Ų5855%0.55129%0.286SS*.Hα-helixtrans-69.9-24.3175.8-167.1176.572.51802.5113.5I73 F75 F107I73-R77 WeakPolarHBondContact O-CB 3.49Å; I73-R77 PolarHBondContact O-N 3.43Å; F75-R77 PolarHBondContact O-N 3.34Å; R77-F107 HydrophobicContact CB-CD1 4.33Å; R77-F107 HydrophobicContact CB-CD2 4.1Å; R77-F107 HydrophobicContact CB-CE1 4.17Å; R77-F107 HydrophobicContact CB-CE2 3.93Å; R77-F107 HydrophobicContact CB-CG 4.3Å; R77-F107 HydrophobicContact CB-CZ 3.97Å; R77-F107 HydrophobicContact CG-CD1 4.01Å; R77-F107 HydrophobicContact CG-CE1 3.78Å; R77-F107 HydrophobicContact CG-CE2 4.45Å; R77-F107 HydrophobicContact CG-CG 4.44Å; R77-F107 HydrophobicContact CG-CZ 4.03Å
78S98Very high97.5Very high29 Ų2960.1 Ų60.120%0.20330%0.304CS..Hα-helixtrans-101.2-32.7-172.8-53.20000113.1K74 F75 L76 R80 N83K74-S78 WeakPolarHBondContact O-CB 3.41Å; K74-S78 PolarHBondContact O-N 2.95Å; K74-S78 PolarHBondContact O-OG 3.37Å; F75-S78 PolarHBondContact O-N 3.49Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.26Å; S78-R80 PolarHBondContact O-NH1 2.94Å; S78-N83 PolarHBondContact O-ND2 2.82Å
79I97.9Very high97.4Very high9 Ų968.4 Ų68.45%0.04634%0.341CS..  trans-67.6135.2-177-169.662.4000111F75 Y87 M91 V102F75-I79 HydrophobicContact CD2-CB 4.3Å; F75-I79 HydrophobicContact CE1-CG2 4.32Å; F75-I79 HydrophobicContact CE2-CB 3.86Å; F75-I79 HydrophobicContact CE2-CD1 3.98Å; F75-I79 HydrophobicContact CE2-CG1 3.95Å; F75-I79 HydrophobicContact CE2-CG2 4.45Å; F75-I79 HydrophobicContact CZ-CB 4.03Å; F75-I79 HydrophobicContact CZ-CD1 4.33Å; F75-I79 HydrophobicContact CZ-CG1 3.94Å; F75-I79 HydrophobicContact CZ-CG2 4.2Å; F75-I79 WeakPolarHBondContact O-CB 3.43Å; F75-I79 WeakPolarHBondContact O-CG2 3.49Å; F75-I79 PolarHBondContact O-N 2.96Å; I79-Y87 HydrophobicContact CD1-CD2 4.09Å; I79-Y87 HydrophobicContact CD1-CG 3.84Å; I79-M91 HydrophobicContact CD1-CG 4.27Å; I79-M91 HydrophobicContact CD1-SD 4.28Å; I79-V102 HydrophobicContact CD1-CG2 4.42Å; I79-V102 HydrophobicContact CG1-CG1 3.96Å; I79-V102 HydrophobicContact CG1-CG2 3.77Å
80R97.1Very high97.3Very high121 Ų12171.1 Ų71.146%0.45735%0.351SS..  trans-150.5161.3178.9-70.6-171.5-50.5-86.12.5109.3S78 D82 N83 M84S78-R80 PolarHBondContact O-NH1 2.94Å; R80-D82 WeakPolarHBondContact CB-OD1 3.45Å; R80-D82 IonicContact CZ-OD1 2.69Å; R80-D82 IonicContact CZ-OD2 2.61Å; R80-D82 IonicContact NE-OD1 3.24Å; R80-D82 PolarHBondContact NE-OD1 3.42Å; R80-D82 IonicContact NE-OD2 3.77Å; R80-D82 PolarHBondContact NE-OD2 3.17Å; R80-D82 IonicContact NH2-OD1 2.68Å; R80-D82 PolarHBondContact NH2-OD1 3.34Å; R80-D82 IonicContact NH2-OD2 2.61Å; R80-D82 PolarHBondContact NH2-OD2 2.99Å; R80-D82 PolarHBondContact O-N 3.04Å; R80-N83 PolarHBondContact N-OD1 3.1Å; R80-N83 PolarHBondContact O-N 2.97Å; R80-N83 PolarHBondContact O-OD1 3.35Å; R80-M84 WeakPolarHBondContact O-CG 3.47Å; R80-M84 PolarHBondContact O-N 3.27Å
81P96.7Very high97.2Very high50 Ų5066.5 Ų66.533%0.32533%0.326SS..G310 helixtrans-56.9-31.7178-28.838.2000114.3N83 V102 D104P81-N83 PolarHBondContact O-N 2.98Å; P81-V102 HydrophobicContact CG-CG1 4.21Å; P81-D104 WeakPolarHBondContact CD-OD1 3.42Å; P81-D104 WeakPolarHBondContact CG-OD1 3.42Å
82D96.3Very high97.2Very high114 Ų11471.6 Ų71.661%0.6135%0.348SS*.G310 helixtrans-70.1-26-17965.9-26.9000114.2R80R80-D82 WeakPolarHBondContact CB-OD1 3.45Å; R80-D82 IonicContact CZ-OD1 2.69Å; R80-D82 IonicContact CZ-OD2 2.61Å; R80-D82 IonicContact NE-OD1 3.24Å; R80-D82 PolarHBondContact NE-OD1 3.42Å; R80-D82 IonicContact NE-OD2 3.77Å; R80-D82 PolarHBondContact NE-OD2 3.17Å; R80-D82 IonicContact NH2-OD1 2.68Å; R80-D82 PolarHBondContact NH2-OD1 3.34Å; R80-D82 IonicContact NH2-OD2 2.61Å; R80-D82 PolarHBondContact NH2-OD2 2.99Å; R80-D82 PolarHBondContact O-N 3.04Å
83N96.8Very high97.1Very high11 Ų1178.8 Ų78.86%0.05938%0.375CS..G310 helixtrans-115.310.3-173.46819000114.3S78 R80 P81 S85 E86 Y87S78-N83 PolarHBondContact O-ND2 2.82Å; R80-N83 PolarHBondContact N-OD1 3.1Å; R80-N83 PolarHBondContact O-N 2.97Å; R80-N83 PolarHBondContact O-OD1 3.35Å; P81-N83 PolarHBondContact O-N 2.98Å; N83-S85 PolarHBondContact O-N 3.21Å; N83-S85 VanDerWaalsContact O-N 3.13Å; N83-E86 WeakPolarHBondContact O-CB 3.35Å; N83-E86 PolarHBondContact O-N 3.38Å; N83-Y87 HydrophobicContact CB-CD2 4.25Å; N83-Y87 HydrophobicContact CB-CE2 4.28Å; N83-Y87 WeakPolarHBondContact O-CD2 3.36Å; N83-Y87 PolarHBondContact O-N 3.3Å
84M95.6Very high97.1Very high65 Ų6578.9 Ų78.932%0.3238%0.375SS..THydrogen-bonded Turntrans-53.4-37.6-176.9-67.2176.369.800114R80 E86 Y87 S88 M91 V102R80-M84 WeakPolarHBondContact O-CG 3.47Å; R80-M84 PolarHBondContact O-N 3.27Å; M84-E86 VanDerWaalsContact C-N 3.3Å; M84-E86 PolarHBondContact O-N 3.35Å; M84-Y87 PolarHBondContact O-N 3.08Å; M84-S88 PolarHBondContact O-N 3.31Å; M84-M91 HydrophobicContact CB-SD 4.06Å; M84-M91 HydrophobicContact CE-CE 3.59Å; M84-M91 HydrophobicContact CE-SD 4.33Å; M84-M91 HydrophobicContact CG-SD 4.4Å; M84-V102 HydrophobicContact CE-CB 4.01Å; M84-V102 HydrophobicContact CE-CG2 4.03Å; M84-V102 HydrophobicContact CG-CB 4.23Å; M84-V102 HydrophobicContact CG-CG1 4.16Å; M84-V102 HydrophobicContact CG-CG2 4.3Å; M84-V102 HydrophobicContact SD-CB 3.97Å; M84-V102 HydrophobicContact SD-CG1 4.3Å; M84-V102 HydrophobicContact SD-CG2 4.43Å
85S95.3Very high97.1Very high98 Ų9876.2 Ų76.269%0.68537%0.367SS*.THydrogen-bonded Turntrans-62.8-36.6-179.8560000112.6N83 Y87 S88N83-S85 PolarHBondContact O-N 3.21Å; N83-S85 VanDerWaalsContact O-N 3.13Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-S88 PolarHBondContact O-OG 3.24Å
86E96.9Very high97.1Very high154 Ų15476.4 Ų76.472%0.7237%0.368SS*.THydrogen-bonded Turntrans-70.8-29.5178.1-58.5179-170.100111.9N83 M84N83-E86 WeakPolarHBondContact O-CB 3.35Å; N83-E86 PolarHBondContact O-N 3.38Å; M84-E86 VanDerWaalsContact C-N 3.3Å; M84-E86 PolarHBondContact O-N 3.35Å
87Y96.8Very high96.8Very high53 Ų5377.8 Ų77.821%0.20838%0.383CS..THydrogen-bonded Turntrans-99.36.4-175.9-76.9-90.3000114.6F75 I79 N83 M84 S85 K89 Q90 M91F75-Y87 AromaticContact CD2-CD1 3.8Å; F75-Y87 HydrophobicContact CD2-CD1 3.8Å; F75-Y87 HydrophobicContact CD2-CE1 4.36Å; F75-Y87 AromaticContact CE2-CD1 3.98Å; F75-Y87 HydrophobicContact CE2-CD1 3.98Å; F75-Y87 HydrophobicContact CE2-CG 4.4Å; I79-Y87 HydrophobicContact CD1-CD2 4.09Å; I79-Y87 HydrophobicContact CD1-CG 3.84Å; N83-Y87 HydrophobicContact CB-CD2 4.25Å; N83-Y87 HydrophobicContact CB-CE2 4.28Å; N83-Y87 WeakPolarHBondContact O-CD2 3.36Å; N83-Y87 PolarHBondContact O-N 3.3Å; M84-Y87 PolarHBondContact O-N 3.08Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; Y87-K89 VanDerWaalsContact C-N 3.28Å; Y87-K89 PolarHBondContact O-N 3.38Å; Y87-Q90 HydrophobicContact CD1-CB 4.35Å; Y87-Q90 WeakPolarHBondContact O-CA 3.28Å; Y87-Q90 PolarHBondContact O-N 3.33Å; Y87-M91 PolarHBondContact O-N 3.48Å
88S95Very high96.5Very high69 Ų6979.6 Ų79.648%0.48340%0.398SS..Hα-helixtrans-45-43.9-176.853.40000115.1M84 S85 Q92M84-S88 PolarHBondContact O-N 3.31Å; S85-S88 PolarHBondContact O-OG 3.24Å; S88-Q92 PolarHBondContact O-N 3.34Å
89K96Very high96.2Very high179 Ų17983.2 Ų83.278%0.77842%0.415SS*.Hα-helixtrans-66.6-39.3176.9-68.9-176.4-179.8178.10113.3Y87 R93Y87-K89 VanDerWaalsContact C-N 3.28Å; Y87-K89 PolarHBondContact O-N 3.38Å; K89-R93 PolarHBondContact O-N 2.9Å
90Q96.6Very high96.2Very high76 Ų7682.9 Ų82.936%0.35541%0.413SS..Hα-helixtrans-74.5-37.8179.1-69.8-179.44800110.9F75 Y87 Q92 R93 F94F75-Q90 HydrophobicContact CD2-CB 3.76Å; F75-Q90 HydrophobicContact CE2-CB 3.84Å; Y87-Q90 HydrophobicContact CD1-CB 4.35Å; Y87-Q90 WeakPolarHBondContact O-CA 3.28Å; Y87-Q90 PolarHBondContact O-N 3.33Å; Q90-Q92 VanDerWaalsContact C-N 3.32Å; Q90-Q92 PolarHBondContact O-N 2.92Å; Q90-R93 PolarHBondContact O-N 3.25Å; Q90-R93 VanDerWaalsContact O-N 3.13Å; Q90-F94 HydrophobicContact CB-CD2 3.94Å; Q90-F94 HydrophobicContact CB-CE2 4Å; Q90-F94 HydrophobicContact CG-CE2 4.28Å; Q90-F94 WeakPolarHBondContact O-CB 3.43Å; Q90-F94 WeakPolarHBondContact O-CD2 3.32Å; Q90-F94 WeakPolarHBondContact O-CG 3.39Å; Q90-F94 PolarHBondContact O-N 2.86Å
91M97.9Very high96.2Very high23 Ų2378 Ų7811%0.11340%0.397CS..Hα-helixtrans-54-47.5172.3-79.2-17968.500111.9F75 I79 M84 Y87 N95 V96 V102F75-M91 HydrophobicContact CE2-CG 4.22Å; F75-M91 HydrophobicContact CZ-CG 3.99Å; I79-M91 HydrophobicContact CD1-CG 4.27Å; I79-M91 HydrophobicContact CD1-SD 4.28Å; M84-M91 HydrophobicContact CB-SD 4.06Å; M84-M91 HydrophobicContact CE-CE 3.59Å; M84-M91 HydrophobicContact CE-SD 4.33Å; M84-M91 HydrophobicContact CG-SD 4.4Å; Y87-M91 PolarHBondContact O-N 3.48Å; M91-N95 PolarHBondContact O-N 3.39Å; M91-V96 WeakPolarHBondContact CB-O 3.37Å; M91-V96 WeakPolarHBondContact CE-O 3.21Å; M91-V96 PolarHBondContact O-N 2.87Å; M91-V102 HydrophobicContact CE-CG2 3.99Å; M91-V102 HydrophobicContact SD-CG2 4.5Å
92Q97.1Very high96.3Very high170 Ų17076.5 Ų76.579%0.79439%0.387SS*.Hα-helixtrans-64.3-43.6174.7-172-179.625.100112.4S88 Q90 F94 N95S88-Q92 PolarHBondContact O-N 3.34Å; Q90-Q92 VanDerWaalsContact C-N 3.32Å; Q90-Q92 PolarHBondContact O-N 2.92Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-F94 PolarHBondContact O-N 2.85Å; Q92-N95 PolarHBondContact O-N 2.71Å
93R97.8Very high96.4Very high151 Ų15171.6 Ų71.657%0.5736%0.361SS*.Hα-helixtrans-63.4-38.3-179.6177.9-179.6174.9-147.1-9112.8D71 K89 Q90D71-R93 IonicContact OD2-CZ 2.93Å; D71-R93 IonicContact OD2-NH1 3.56Å; D71-R93 PolarHBondContact OD2-NH1 3.36Å; D71-R93 IonicContact OD2-NH2 3.7Å; D71-R93 PolarHBondContact OD2-NH2 3.28Å; K89-R93 PolarHBondContact O-N 2.9Å; Q90-R93 PolarHBondContact O-N 3.25Å; Q90-R93 VanDerWaalsContact O-N 3.13Å
94F98.4Very high96.4Very high2 Ų277.2 Ų77.21%0.00939%0.391CS..THydrogen-bonded Turntrans-99.87.7-174.4-61.7-46.8000112.9D71 Y72 F75 Q90 Q92 V96 S145 E146 A147D71-F94 HydrophobicContact CB-CZ 4.49Å; Y72-F94 HydrophobicContact CD2-CB 3.85Å; Y72-F94 AromaticContact CD2-CD1 3.67Å; Y72-F94 HydrophobicContact CD2-CD1 3.67Å; Y72-F94 HydrophobicContact CD2-CD2 4.36Å; Y72-F94 HydrophobicContact CD2-CE1 4.2Å; Y72-F94 AromaticContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CE2-CB 3.92Å; Y72-F94 HydrophobicContact CE2-CG 4.31Å; Y72-F94 HydrophobicContact CG-CD1 4.39Å; F75-F94 HydrophobicContact CB-CD2 3.74Å; F75-F94 HydrophobicContact CB-CE2 3.48Å; F75-F94 VanDerWaalsContact CB-CE2 3.48Å; F75-F94 HydrophobicContact CB-CZ 4.39Å; F75-F94 HydrophobicContact CD1-CB 4.05Å; F75-F94 AromaticContact CD1-CD2 3.35Å; F75-F94 HydrophobicContact CD1-CD2 3.35Å; F75-F94 HydrophobicContact CD1-CE2 4.06Å; F75-F94 AromaticContact CD1-CG 3.99Å; F75-F94 HydrophobicContact CD1-CG 3.99Å; F75-F94 AromaticContact CD2-CD2 3.88Å; F75-F94 HydrophobicContact CD2-CD2 3.88Å; F75-F94 HydrophobicContact CD2-CE2 4.18Å; F75-F94 HydrophobicContact CE1-CB 3.94Å; F75-F94 AromaticContact CE1-CD2 3.87Å; F75-F94 HydrophobicContact CE1-CD2 3.87Å; F75-F94 HydrophobicContact CE1-CG 4.33Å; F75-F94 HydrophobicContact CE2-CD2 4.34Å; F75-F94 AromaticContact CG-CD2 3.35Å; F75-F94 HydrophobicContact CG-CD2 3.35Å; F75-F94 AromaticContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CG 4.4Å; F75-F94 HydrophobicContact CZ-CD2 4.33Å; Q90-F94 HydrophobicContact CB-CD2 3.94Å; Q90-F94 HydrophobicContact CB-CE2 4Å; Q90-F94 HydrophobicContact CG-CE2 4.28Å; Q90-F94 WeakPolarHBondContact O-CB 3.43Å; Q90-F94 WeakPolarHBondContact O-CD2 3.32Å; Q90-F94 WeakPolarHBondContact O-CG 3.39Å; Q90-F94 PolarHBondContact O-N 2.86Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-F94 PolarHBondContact O-N 2.85Å; F94-V96 VanDerWaalsContact C-N 3.34Å; F94-V96 PolarHBondContact O-N 2.82Å; F94-S145 WeakPolarHBondContact CD1-O 3.38Å; F94-E146 WeakPolarHBondContact O-CA 3.27Å; F94-A147 PolarHBondContact O-N 3.05Å
95N98.1Very high96.5Very high78 Ų7875.6 Ų75.642%0.41739%0.39SS..THydrogen-bonded Turntrans54.743.5178.7-165.540000114.1M91 Q92 E146 A147M91-N95 PolarHBondContact O-N 3.39Å; Q92-N95 PolarHBondContact O-N 2.71Å; N95-E146 HydrophobicContact CB-CB 4.23Å; N95-A147 WeakPolarHBondContact CB-O 3.15Å; N95-A147 PolarHBondContact ND2-O 2.82Å
96V97.8Very high96.7Very high6 Ų671.1 Ų71.14%0.03636%0.358CS..  trans-115.1121.5177.6174.90000109.4F75 L76 M91 F94 C100 V102 A147 Y152F75-V96 HydrophobicContact CE1-CB 4.02Å; F75-V96 HydrophobicContact CE1-CG1 4.41Å; F75-V96 HydrophobicContact CE1-CG2 3.85Å; F75-V96 HydrophobicContact CZ-CB 4.13Å; F75-V96 HydrophobicContact CZ-CG1 4.36Å; F75-V96 HydrophobicContact CZ-CG2 4.47Å; L76-V96 HydrophobicContact CD2-CG2 4.42Å; M91-V96 WeakPolarHBondContact CB-O 3.37Å; M91-V96 WeakPolarHBondContact CE-O 3.21Å; M91-V96 PolarHBondContact O-N 2.87Å; F94-V96 VanDerWaalsContact C-N 3.34Å; F94-V96 PolarHBondContact O-N 2.82Å; V96-C100 CarbonylContact C-O 3.48Å; V96-C100 WeakPolarHBondContact CA-O 3.39Å; V96-C100 WeakPolarHBondContact CG1-O 3.43Å; V96-V102 HydrophobicContact CG1-CG2 3.59Å; V96-A147 HydrophobicContact CG2-CB 3.72Å; V96-Y152 HydrophobicContact CG1-CE1 4.46Å; V96-Y152 HydrophobicContact CG2-CD1 4.22Å; V96-Y152 HydrophobicContact CG2-CE1 4.28Å
97G93.5Very high96.7Very high30 Ų3065.1 Ų65.131%0.30933%0.33SS..SBendtrans158.6-58.7176.400000113.8C100G97-C100 PolarHBondContact N-O 2.87Å
98E90.2Very high96.8Very high183 Ų18366.2 Ų66.286%0.85534%0.337SS*.SBendtrans-82.9-94.9-176-63.3-175.5176.300111.1C100E98-C100 PolarHBondContact O-N 2.85Å
99D92.1Very high97Very high105 Ų10563.2 Ų63.256%0.56132%0.316SS*.SBendtrans-64.8-28.8179-70.7-13000112H28 P101 F150H28-D99 PolarHBondContact NE2-O 2.83Å; H28-D99 VanDerWaalsContact NE2-O 3.09Å; D99-P101 VanDerWaalsContact C-CD 3.45Å; D99-P101 WeakPolarHBondContact O-CD 3.37Å; D99-F150 HydrophobicContact CB-CE1 4.31Å; D99-F150 WeakPolarHBondContact O-CD1 3.33Å
100C97.8Very high97.1Very high2 Ų254.8 Ų54.81%0.01428%0.279CS..SBendtrans-109.378.9174.7-63.50000109.4V96 G97 E98 A147 F150 Y152V96-C100 CarbonylContact C-O 3.48Å; V96-C100 WeakPolarHBondContact CA-O 3.39Å; V96-C100 WeakPolarHBondContact CG1-O 3.43Å; G97-C100 PolarHBondContact N-O 2.87Å; E98-C100 PolarHBondContact O-N 2.85Å; C100-A147 HydrophobicContact CB-CB 3.89Å; C100-F150 PolarHBondContact SG-N 3.46Å; C100-F150 VanDerWaalsContact SG-N 3.35Å; C100-Y152 WeakPolarHBondContact CA-OH 3.2Å; C100-Y152 HydrophobicContact CB-CD1 4.42Å; C100-Y152 HydrophobicContact CB-CE1 3.62Å
101P98.1Very high97.2Very high18 Ų1852.6 Ų52.612%0.11727%0.269CS..  trans-70.5155.1-171.129.2-37.3000113.3Y24 D99 F103 L106 Y152Y24-P101 HydrophobicContact CD1-CG 4.08Å; Y24-P101 WeakPolarHBondContact O-CG 3.5Å; D99-P101 VanDerWaalsContact C-CD 3.45Å; D99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-F103 WeakPolarHBondContact O-CD1 3.36Å; P101-L106 WeakPolarHBondContact O-CD1 3.25Å; P101-Y152 WeakPolarHBondContact CD-OH 3.41Å; P101-Y152 VanDerWaalsContact N-OH 3.17Å; P101-Y152 PolarHBondContact O-OH 2.82Å
102V98.3Very high97.3Very high19 Ų1951.6 Ų51.612%0.11526%0.264CS..  trans-80.6127.8166-176.80000108.8I79 P81 M84 M91 V96I79-V102 HydrophobicContact CD1-CG2 4.42Å; I79-V102 HydrophobicContact CG1-CG1 3.96Å; I79-V102 HydrophobicContact CG1-CG2 3.77Å; P81-V102 HydrophobicContact CG-CG1 4.21Å; M84-V102 HydrophobicContact CE-CB 4.01Å; M84-V102 HydrophobicContact CE-CG2 4.03Å; M84-V102 HydrophobicContact CG-CB 4.23Å; M84-V102 HydrophobicContact CG-CG1 4.16Å; M84-V102 HydrophobicContact CG-CG2 4.3Å; M84-V102 HydrophobicContact SD-CB 3.97Å; M84-V102 HydrophobicContact SD-CG1 4.3Å; M84-V102 HydrophobicContact SD-CG2 4.43Å; M91-V102 HydrophobicContact CE-CG2 3.99Å; M91-V102 HydrophobicContact SD-CG2 4.5Å; V96-V102 HydrophobicContact CG1-CG2 3.59Å
103F98.1Very high97.3Very high12 Ų1243.6 Ų43.65%0.05323%0.227CC..  trans-140.5161.1176.460.8-91.6000111.8Y22 Y23 Y24 P101 G105 L106 F109 Y152Y22-F103 HydrophobicContact CD1-CE2 4.48Å; Y23-F103 VanDerWaalsContact O-CB 3.26Å; Y23-F103 WeakPolarHBondContact O-CB 3.3Å; Y23-F103 WeakPolarHBondContact O-CG 3.3Å; Y24-F103 HydrophobicContact CD1-CE1 4.18Å; Y24-F103 AromaticContact CD2-CE1 3.91Å; Y24-F103 HydrophobicContact CD2-CE1 3.91Å; Y24-F103 HydrophobicContact CD2-CZ 4.01Å; Y24-F103 HydrophobicContact CE1-CE1 4.25Å; Y24-F103 AromaticContact CE2-CE1 3.96Å; Y24-F103 HydrophobicContact CE2-CE1 3.96Å; Y24-F103 AromaticContact CE2-CZ 3.86Å; Y24-F103 HydrophobicContact CE2-CZ 3.86Å; Y24-F103 HydrophobicContact CG-CD1 4.36Å; Y24-F103 HydrophobicContact CG-CE1 4.03Å; P101-F103 WeakPolarHBondContact O-CD1 3.36Å; F103-G105 PolarHBondContact O-N 3.48Å; F103-L106 HydrophobicContact CD1-CB 4.29Å; F103-L106 HydrophobicContact CD1-CD1 4.09Å; F103-L106 HydrophobicContact CD1-CG 4.43Å; F103-L106 HydrophobicContact CD2-CB 4.18Å; F103-L106 HydrophobicContact CE1-CB 4.1Å; F103-L106 HydrophobicContact CE1-CD1 3.94Å; F103-L106 HydrophobicContact CE1-CG 3.97Å; F103-L106 VanDerWaalsContact CE2-CA 3.47Å; F103-L106 HydrophobicContact CE2-CB 3.99Å; F103-L106 HydrophobicContact CG-CB 4.32Å; F103-L106 HydrophobicContact CZ-CB 3.95Å; F103-L106 HydrophobicContact CZ-CG 4.07Å; F103-L106 WeakPolarHBondContact O-CB 3.06Å; F103-L106 PolarHBondContact O-N 3.14Å; F103-L106 VanDerWaalsContact O-N 3.16Å; F103-F109 HydrophobicContact CE2-CB 4.27Å; F103-F109 HydrophobicContact CZ-CB 4.32Å; F103-F109 HydrophobicContact CZ-CD1 4.18Å; F103-F109 HydrophobicContact CZ-CG 4.32Å; F103-Y152 HydrophobicContact CE1-CE2 4.05Å
104D97.8Very high97.4Very high129 Ų12936.4 Ų36.469%0.6920%0.2SC*.THydrogen-bonded Turntrans-62.6125.8179.2-73.4-36.7000111P81P81-D104 WeakPolarHBondContact CD-OD1 3.42Å; P81-D104 WeakPolarHBondContact CG-OD1 3.42Å
105G97.6Very high97.4Very high30 Ų3036.3 Ų36.331%0.30920%0.199SC..THydrogen-bonded Turntrans79.414-178.100000115Y22 F103 F107 E108 F109Y22-G105 VanDerWaalsContact CE1-O 3.29Å; Y22-G105 WeakPolarHBondContact CE1-O 3.16Å; F103-G105 PolarHBondContact O-N 3.48Å; G105-F107 VanDerWaalsContact C-N 3.29Å; G105-F107 PolarHBondContact O-N 3.28Å; G105-E108 PolarHBondContact O-N 3.19Å; G105-E108 VanDerWaalsContact O-N 3.08Å; G105-F109 PolarHBondContact O-N 3.2Å
106L98.3Very high97.4Very high4 Ų432.6 Ų32.62%0.02118%0.179CC..Hα-helixtrans-48.4-48.3177.3179.7156.6000113.2L76 P101 F103 F109 C110 Y152L76-L106 HydrophobicContact CD2-CD2 4.05Å; P101-L106 WeakPolarHBondContact O-CD1 3.25Å; F103-L106 HydrophobicContact CD1-CB 4.29Å; F103-L106 HydrophobicContact CD1-CD1 4.09Å; F103-L106 HydrophobicContact CD1-CG 4.43Å; F103-L106 HydrophobicContact CD2-CB 4.18Å; F103-L106 HydrophobicContact CE1-CB 4.1Å; F103-L106 HydrophobicContact CE1-CD1 3.94Å; F103-L106 HydrophobicContact CE1-CG 3.97Å; F103-L106 VanDerWaalsContact CE2-CA 3.47Å; F103-L106 HydrophobicContact CE2-CB 3.99Å; F103-L106 HydrophobicContact CG-CB 4.32Å; F103-L106 HydrophobicContact CZ-CB 3.95Å; F103-L106 HydrophobicContact CZ-CG 4.07Å; F103-L106 WeakPolarHBondContact O-CB 3.06Å; F103-L106 PolarHBondContact O-N 3.14Å; F103-L106 VanDerWaalsContact O-N 3.16Å; L106-F109 WeakPolarHBondContact O-CB 3.35Å; L106-F109 PolarHBondContact O-N 3.07Å; L106-C110 PolarHBondContact O-N 3.33Å; L106-C110 VanDerWaalsContact O-N 3.15Å; L106-C110 PolarHBondContact O-SG 2.93Å; L106-Y152 HydrophobicContact CD1-CD1 4.19Å; L106-Y152 HydrophobicContact CD1-CE1 3.71Å; L106-Y152 HydrophobicContact CD1-CE2 4.4Å; L106-Y152 HydrophobicContact CD2-CD1 4.36Å; L106-Y152 HydrophobicContact CD2-CG 4.43Å; L106-Y152 HydrophobicContact CG-CE1 4.44Å
107F98.6Very high97.5Very high28 Ų2832.3 Ų32.312%0.12318%0.178CC..Hα-helixtrans-63.6-44.9-179.6-169.7-112.1000111.2M64 I73 L76 R77 G105 F109 C110 Q111M64-F107 HydrophobicContact SD-CE2 3.96Å; M64-F107 HydrophobicContact SD-CZ 4.16Å; I73-F107 HydrophobicContact CG2-CE2 4.31Å; L76-F107 HydrophobicContact CB-CD2 3.96Å; L76-F107 HydrophobicContact CB-CE2 4.39Å; R77-F107 HydrophobicContact CB-CD1 4.33Å; R77-F107 HydrophobicContact CB-CD2 4.1Å; R77-F107 HydrophobicContact CB-CE1 4.17Å; R77-F107 HydrophobicContact CB-CE2 3.93Å; R77-F107 HydrophobicContact CB-CG 4.3Å; R77-F107 HydrophobicContact CB-CZ 3.97Å; R77-F107 HydrophobicContact CG-CD1 4.01Å; R77-F107 HydrophobicContact CG-CE1 3.78Å; R77-F107 HydrophobicContact CG-CE2 4.45Å; R77-F107 HydrophobicContact CG-CG 4.44Å; R77-F107 HydrophobicContact CG-CZ 4.03Å; G105-F107 VanDerWaalsContact C-N 3.29Å; G105-F107 PolarHBondContact O-N 3.28Å; F107-F109 VanDerWaalsContact C-N 3.32Å; F107-F109 PolarHBondContact O-N 3.21Å; F107-C110 WeakPolarHBondContact O-CA 3.24Å; F107-C110 VanDerWaalsContact O-CB 3.3Å; F107-C110 WeakPolarHBondContact O-CB 3.16Å; F107-C110 PolarHBondContact O-N 3.39Å; F107-Q111 HydrophobicContact CD1-CG 3.94Å; F107-Q111 VanDerWaalsContact CE1-CD 3.47Å; F107-Q111 HydrophobicContact CE1-CG 3.76Å; F107-Q111 HydrophobicContact CZ-CG 4.22Å; F107-Q111 VanDerWaalsContact O-CG 3.31Å; F107-Q111 WeakPolarHBondContact O-CG 3.24Å; F107-Q111 PolarHBondContact O-N 3.01Å
108E98.6Very high97.7Very high77 Ų7731.1 Ų31.136%0.3616%0.164SC..Hα-helixtrans-62.4-39.2178.9-57.3-163140.400112.6Y22 K58 G105 C110 Q111 L112Y22-E108 HydrophobicContact CE1-CB 4.02Å; Y22-E108 WeakPolarHBondContact OH-CB 3.31Å; Y22-E108 PolarHBondContact OH-OE2 2.96Å; K58-E108 VanDerWaalsContact NZ-CD 3.25Å; K58-E108 IonicContact NZ-OE1 2.93Å; K58-E108 PolarHBondContact NZ-OE1 2.88Å; K58-E108 IonicContact NZ-OE2 3.89Å; G105-E108 PolarHBondContact O-N 3.19Å; G105-E108 VanDerWaalsContact O-N 3.08Å; E108-C110 VanDerWaalsContact C-N 3.28Å; E108-C110 PolarHBondContact O-N 3.42Å; E108-Q111 WeakPolarHBondContact O-CB 3.4Å; E108-Q111 PolarHBondContact O-N 3.37Å; E108-Q111 VanDerWaalsContact O-N 3.08Å; E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 2.99Å
109F98.7Very high98.1Very high6 Ų622.8 Ų22.83%0.02613%0.127CC..Hα-helixtrans-55.7-45.3171.9171.4-98.7000111.2V19 Y22 Y24 P32 F103 G105 L106 F107 Q111 L112 S113 L139V19-F109 HydrophobicContact CG2-CD2 4.39Å; V19-F109 HydrophobicContact CG2-CE2 4.29Å; Y22-F109 HydrophobicContact CD1-CB 4.08Å; Y22-F109 HydrophobicContact CD2-CB 4.01Å; Y22-F109 AromaticContact CD2-CD2 3.97Å; Y22-F109 HydrophobicContact CD2-CD2 3.97Å; Y22-F109 HydrophobicContact CD2-CG 4.49Å; Y22-F109 HydrophobicContact CE1-CB 4.44Å; Y22-F109 HydrophobicContact CE2-CB 4.39Å; Y22-F109 HydrophobicContact CG-CB 3.86Å; Y22-F109 HydrophobicContact CG-CD2 4.17Å; Y22-F109 HydrophobicContact CG-CG 4.44Å; Y24-F109 HydrophobicContact CE2-CD1 4.49Å; Y24-F109 HydrophobicContact CE2-CE1 4.03Å; Y24-F109 HydrophobicContact CE2-CZ 4.09Å; Y24-F109 WeakPolarHBondContact OH-CE1 3.3Å; P32-F109 HydrophobicContact CB-CE2 4Å; P32-F109 HydrophobicContact CG-CD2 4.32Å; P32-F109 HydrophobicContact CG-CE2 3.78Å; P32-F109 HydrophobicContact CG-CZ 4.35Å; F103-F109 HydrophobicContact CE2-CB 4.27Å; F103-F109 HydrophobicContact CZ-CB 4.32Å; F103-F109 HydrophobicContact CZ-CD1 4.18Å; F103-F109 HydrophobicContact CZ-CG 4.32Å; G105-F109 PolarHBondContact O-N 3.2Å; L106-F109 WeakPolarHBondContact O-CB 3.35Å; L106-F109 PolarHBondContact O-N 3.07Å; F107-F109 VanDerWaalsContact C-N 3.32Å; F107-F109 PolarHBondContact O-N 3.21Å; F109-Q111 VanDerWaalsContact C-N 3.33Å; F109-Q111 PolarHBondContact O-N 3.33Å; F109-L112 PolarHBondContact O-N 2.82Å; F109-S113 WeakPolarHBondContact O-CB 3.29Å; F109-S113 PolarHBondContact O-N 2.64Å; F109-S113 VanDerWaalsContact O-N 3.1Å; F109-L139 HydrophobicContact CE1-CD2 4.12Å
110C98.7Very high98.4Very high2 Ų217.8 Ų17.81%0.01410%0.1CC..Hα-helixtrans-63.2-39.5175.3-580000111.8M64 L106 F107 E108 T114 V153M64-C110 HydrophobicContact CE-CB 4.31Å; L106-C110 PolarHBondContact O-N 3.33Å; L106-C110 VanDerWaalsContact O-N 3.15Å; L106-C110 PolarHBondContact O-SG 2.93Å; F107-C110 WeakPolarHBondContact O-CA 3.24Å; F107-C110 VanDerWaalsContact O-CB 3.3Å; F107-C110 WeakPolarHBondContact O-CB 3.16Å; F107-C110 PolarHBondContact O-N 3.39Å; E108-C110 VanDerWaalsContact C-N 3.28Å; E108-C110 PolarHBondContact O-N 3.42Å; C110-T114 WeakPolarHBondContact O-CB 3.27Å; C110-T114 PolarHBondContact O-N 2.62Å; C110-T114 PolarHBondContact O-OG1 3.37Å; C110-V153 HydrophobicContact CB-CB 4.28Å; C110-V153 HydrophobicContact CB-CG2 3.84Å
111Q98.8Very high98.5Very high29 Ų2917.7 Ų17.714%0.13610%0.099CC..Hα-helixtrans-63.9-42.7179.2-64.2-173.3-83.400112.5K58 A59 M64 F107 E108 F109 G115K58-Q111 HydrophobicContact CB-CB 3.92Å; K58-Q111 HydrophobicContact CG-CB 4.27Å; A59-Q111 PolarHBondContact N-O 2.79Å; A59-Q111 VanDerWaalsContact N-O 3.11Å; A59-Q111 WeakPolarHBondContact O-CG 3.4Å; A59-Q111 PolarHBondContact O-NE2 3.27Å; M64-Q111 HydrophobicContact CE-CB 4.23Å; M64-Q111 HydrophobicContact CE-CG 3.78Å; F107-Q111 HydrophobicContact CD1-CG 3.94Å; F107-Q111 VanDerWaalsContact CE1-CD 3.47Å; F107-Q111 HydrophobicContact CE1-CG 3.76Å; F107-Q111 HydrophobicContact CZ-CG 4.22Å; F107-Q111 VanDerWaalsContact O-CG 3.31Å; F107-Q111 WeakPolarHBondContact O-CG 3.24Å; F107-Q111 PolarHBondContact O-N 3.01Å; E108-Q111 WeakPolarHBondContact O-CB 3.4Å; E108-Q111 PolarHBondContact O-N 3.37Å; E108-Q111 VanDerWaalsContact O-N 3.08Å; F109-Q111 VanDerWaalsContact C-N 3.33Å; F109-Q111 PolarHBondContact O-N 3.33Å; Q111-G115 WeakPolarHBondContact O-CA 3.26Å; Q111-G115 PolarHBondContact O-N 3.45Å
112L98.6Very high98.5Very high3 Ų317.3 Ų17.32%0.01610%0.096CC..Hα-helixtrans-70.2-45.1179.6-65.6175.9000111.8D16 D18 Y22 K58 E108 F109 T114 G115 G116D16-L112 HydrophobicContact CB-CD1 4.12Å; D16-L112 HydrophobicContact CB-CD2 3.92Å; D18-L112 HydrophobicContact CB-CD1 4.42Å; Y22-L112 HydrophobicContact CE2-CD1 3.73Å; K58-L112 HydrophobicContact CG-CD2 3.94Å; E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 2.99Å; F109-L112 PolarHBondContact O-N 2.82Å; L112-T114 PolarHBondContact O-N 3.21Å; L112-G115 PolarHBondContact O-N 3.2Å; L112-G116 PolarHBondContact O-N 3.41Å; L112-G116 VanDerWaalsContact O-N 3.12Å
113S98.2Very high98.5Very high1 Ų117.8 Ų17.81%0.00710%0.097CC..Hα-helixtrans-58.2-49176.3178.40000111.1F109 S117 N134 A136 L139F109-S113 WeakPolarHBondContact O-CB 3.29Å; F109-S113 PolarHBondContact O-N 2.64Å; F109-S113 VanDerWaalsContact O-N 3.1Å; S113-S117 PolarHBondContact O-OG 2.86Å; S113-N134 PolarHBondContact O-ND2 2.82Å; S113-A136 WeakPolarHBondContact CB-O 3.32Å; S113-A136 PolarHBondContact OG-O 3.37Å; S113-L139 WeakPolarHBondContact OG-CD1 3.43Å
114T98.9Very high98.5Very high1 Ų117.3 Ų17.31%0.00610%0.095CC..Hα-helixtrans-67.7-44.6179.2-55.70000112.5A59 M64 C110 L112 G116 S117 V118 V153 L158A59-T114 HydrophobicContact CB-CG2 3.74Å; M64-T114 HydrophobicContact CG-CG2 4.44Å; C110-T114 WeakPolarHBondContact O-CB 3.27Å; C110-T114 PolarHBondContact O-N 2.62Å; C110-T114 PolarHBondContact O-OG1 3.37Å; L112-T114 PolarHBondContact O-N 3.21Å; T114-G116 VanDerWaalsContact C-N 3.31Å; T114-G116 PolarHBondContact O-N 3.44Å; T114-S117 PolarHBondContact O-N 3.44Å; T114-V118 HydrophobicContact CG2-CG2 4.07Å; T114-V118 WeakPolarHBondContact O-CG2 3.37Å; T114-V118 PolarHBondContact O-N 2.9Å; T114-V153 HydrophobicContact CG2-CG1 4.4Å; T114-V153 VanDerWaalsContact OG1-CG1 3.3Å; T114-V153 WeakPolarHBondContact OG1-CG1 3.44Å; T114-L158 HydrophobicContact CG2-CD1 3.48Å; T114-L158 VanDerWaalsContact CG2-CD1 3.48Å
115G98.6Very high98.5Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-59.8-41.4-178.200000112.3H57 Q111 L112 S117 A119H57-G115 WeakPolarHBondContact O-CA 3.22Å; Q111-G115 WeakPolarHBondContact O-CA 3.26Å; Q111-G115 PolarHBondContact O-N 3.45Å; L112-G115 PolarHBondContact O-N 3.2Å; G115-S117 PolarHBondContact O-N 3.24Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 2.95Å
116G98.6Very high98.5Very high0 Ų012.7 Ų12.70%06%0.061CC..Hα-helixtrans-59.8-45.2174.800000113.1L112 T114 S120L112-G116 PolarHBondContact O-N 3.41Å; L112-G116 VanDerWaalsContact O-N 3.12Å; T114-G116 VanDerWaalsContact C-N 3.31Å; T114-G116 PolarHBondContact O-N 3.44Å; G116-S120 WeakPolarHBondContact O-CB 3.34Å; G116-S120 PolarHBondContact O-N 2.88Å; G116-S120 PolarHBondContact O-OG 2.85Å
117S98.9Very high98.4Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-71.3-42-178.1-59.60000112.1S113 T114 G115 S120 A121 N134 D155 L298S113-S117 PolarHBondContact O-OG 2.86Å; T114-S117 PolarHBondContact O-N 3.44Å; G115-S117 PolarHBondContact O-N 3.24Å; S117-S120 WeakPolarHBondContact O-CB 3.23Å; S117-S120 PolarHBondContact O-N 3.25Å; S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 3.29Å; S117-N134 PolarHBondContact N-ND2 3.31Å; S117-N134 PolarHBondContact OG-ND2 2.87Å; S117-D155 WeakPolarHBondContact CB-OD2 3.18Å; S117-D155 PolarHBondContact OG-OD2 3.46Å; S117-L298 WeakPolarHBondContact OG-CD2 3.18Å
118V98.8Very high98.3Very high4 Ų423.6 Ų23.62%0.02411%0.112CC..Hα-helixtrans-68-44.7177.2174.80000111.1T114 S120 A121 V122 L158 A388T114-V118 HydrophobicContact CG2-CG2 4.07Å; T114-V118 WeakPolarHBondContact O-CG2 3.37Å; T114-V118 PolarHBondContact O-N 2.9Å; V118-S120 VanDerWaalsContact C-N 3.32Å; V118-S120 PolarHBondContact O-N 2.97Å; V118-A121 WeakPolarHBondContact O-CB 3.45Å; V118-A121 PolarHBondContact O-N 3.18Å; V118-A121 VanDerWaalsContact O-N 3.17Å; V118-V122 WeakPolarHBondContact O-CG2 2.85Å; V118-V122 PolarHBondContact O-N 2.82Å; V118-L158 HydrophobicContact CG2-CB 3.99Å; V118-A388 HydrophobicContact CG1-CB 3.5Å; V118-A388 VanDerWaalsContact CG1-CB 3.5Å
119A98.5Very high98.3Very high8 Ų820.3 Ų20.37%0.06610%0.097CC..Hα-helixtrans-62.2-40.4176.300000112.3Y14 G115 A121 V122 K123 I389Y14-A119 HydrophobicContact CD1-CB 4.21Å; Y14-A119 HydrophobicContact CE1-CB 3.52Å; Y14-A119 PolarHBondContact OH-O 3.33Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 2.95Å; A119-A121 PolarHBondContact O-N 2.94Å; A119-V122 PolarHBondContact O-N 2.77Å; A119-K123 PolarHBondContact O-N 3.38Å; A119-I389 VanDerWaalsContact CA-CD1 3.48Å; A119-I389 HydrophobicContact CB-CD1 3.56Å
120S98.4Very high98.2Very high0 Ų023.5 Ų23.50%012%0.115CC..Hα-helixtrans-58.8-45.6172.2-64.50000112.3Y14 G116 S117 V118 K123 L124 L296Y14-S120 WeakPolarHBondContact CD2-OG 3.36Å; Y14-S120 WeakPolarHBondContact CE2-OG 3.37Å; G116-S120 WeakPolarHBondContact O-CB 3.34Å; G116-S120 PolarHBondContact O-N 2.88Å; G116-S120 PolarHBondContact O-OG 2.85Å; S117-S120 WeakPolarHBondContact O-CB 3.23Å; S117-S120 PolarHBondContact O-N 3.25Å; V118-S120 VanDerWaalsContact C-N 3.32Å; V118-S120 PolarHBondContact O-N 2.97Å; S120-K123 WeakPolarHBondContact O-CB 3.29Å; S120-K123 PolarHBondContact O-N 3.09Å; S120-L124 WeakPolarHBondContact O-CG 3.42Å; S120-L124 PolarHBondContact O-N 3.2Å; S120-L296 VanDerWaalsContact CB-CD1 3.42Å
121A98.7Very high98.3Very high0 Ų023.4 Ų23.40%011%0.114CC..Hα-helixtrans-63.5-41.5177.600000112.5S117 V118 A119 K123 L124 N125 A159 E162 L163S117-A121 WeakPolarHBondContact O-CB 3.39Å; S117-A121 PolarHBondContact O-N 3.29Å; V118-A121 WeakPolarHBondContact O-CB 3.45Å; V118-A121 PolarHBondContact O-N 3.18Å; V118-A121 VanDerWaalsContact O-N 3.17Å; A119-A121 PolarHBondContact O-N 2.94Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 2.88Å; A121-L124 PolarHBondContact O-N 2.94Å; A121-N125 WeakPolarHBondContact O-CB 3.31Å; A121-N125 PolarHBondContact O-N 2.98Å; A121-A159 HydrophobicContact CB-CB 4.12Å; A121-E162 HydrophobicContact CB-CB 3.9Å; A121-E162 HydrophobicContact CB-CG 4.08Å; A121-L163 HydrophobicContact CB-CD2 4.24Å; A121-L163 HydrophobicContact CB-CG 4.04Å
122V98.4Very high98.3Very high10 Ų1022 Ų226%0.06111%0.107CC..Hα-helixtrans-60.1-45173174.10000110.7V118 A119 L124 N125 K126 E162 A388 I389V118-V122 WeakPolarHBondContact O-CG2 2.85Å; V118-V122 PolarHBondContact O-N 2.82Å; A119-V122 PolarHBondContact O-N 2.77Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.99Å; V122-N125 PolarHBondContact O-N 3.21Å; V122-K126 HydrophobicContact CG1-CD 4.2Å; V122-K126 HydrophobicContact CG1-CG 4.37Å; V122-K126 WeakPolarHBondContact O-CB 3.36Å; V122-K126 WeakPolarHBondContact O-CG 3.37Å; V122-K126 PolarHBondContact O-N 2.99Å; V122-E162 HydrophobicContact CG2-CG 3.78Å; V122-A388 HydrophobicContact CG2-CB 4.35Å; V122-I389 HydrophobicContact CG2-CD1 4.28Å; V122-I389 HydrophobicContact CG2-CG1 4.25Å
123K98.2Very high98.3Very high29 Ų2921.9 Ų21.913%0.12611%0.107CC..Hα-helixtrans-60.3-40178.9-161.174.3167.5178.70112.4Y54 A119 S120 A121 Q127 Q128 T129Y54-K123 PolarHBondContact OH-NZ 3.49Å; A119-K123 PolarHBondContact O-N 3.38Å; S120-K123 WeakPolarHBondContact O-CB 3.29Å; S120-K123 PolarHBondContact O-N 3.09Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 2.88Å; K123-Q127 PolarHBondContact O-N 2.95Å; K123-Q128 HydrophobicContact CD-CB 3.81Å; K123-Q128 HydrophobicContact CG-CB 4.14Å; K123-Q128 PolarHBondContact O-N 3.42Å; K123-Q128 VanDerWaalsContact O-N 3.1Å; K123-T129 HydrophobicContact CB-CG2 4.09Å; K123-T129 HydrophobicContact CG-CG2 3.66Å
124L98.4Very high98.3Very high3 Ų321.9 Ų21.92%0.01611%0.107CC..Hα-helixtrans-67.7-46.1175.5-71.4165.7000111.7S120 A121 V122 K126 Q127 T129 D130 A132 L163 P294 L296S120-L124 WeakPolarHBondContact O-CG 3.42Å; S120-L124 PolarHBondContact O-N 3.2Å; A121-L124 PolarHBondContact O-N 2.94Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.99Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 2.6Å; L124-Q127 WeakPolarHBondContact O-CA 3.3Å; L124-Q127 PolarHBondContact O-N 2.93Å; L124-T129 HydrophobicContact CD2-CG2 3.78Å; L124-T129 HydrophobicContact CG-CG2 4.11Å; L124-D130 WeakPolarHBondContact CD2-O 3.1Å; L124-A132 HydrophobicContact CD1-CB 4.13Å; L124-A132 HydrophobicContact CG-CB 4.15Å; L124-L163 HydrophobicContact CB-CD2 4.11Å; L124-L163 HydrophobicContact CD1-CD2 4.41Å; L124-P294 HydrophobicContact CD2-CB 3.96Å; L124-L296 HydrophobicContact CD1-CB 3.8Å
125N98.2Very high98.3Very high6 Ų621.9 Ų21.93%0.03211%0.106CC..Hα-helixtrans-58.5-41.1176.1-80.7-19.3000112.4A121 V122 Q127 E162 L163 Y166 H167A121-N125 WeakPolarHBondContact O-CB 3.31Å; A121-N125 PolarHBondContact O-N 2.98Å; V122-N125 PolarHBondContact O-N 3.21Å; N125-Q127 PolarHBondContact O-N 3.07Å; N125-E162 PolarHBondContact ND2-O 3.27Å; N125-L163 WeakPolarHBondContact OD1-CA 3.12Å; N125-Y166 HydrophobicContact CB-CD2 3.51Å; N125-Y166 HydrophobicContact CB-CE2 3.8Å; N125-Y166 HydrophobicContact CB-CG 4.03Å; N125-Y166 WeakPolarHBondContact ND2-CD2 3.26Å; N125-H167 PolarHBondContact OD1-CD2 2.69Å
126K96.8Very high98.3Very high55 Ų5522.5 Ų22.524%0.23911%0.111CC..THydrogen-bonded Turntrans-73.70.4175.7-68-166.8177.1-162.50113.8V122 L124 Q128 D387 E391V122-K126 HydrophobicContact CG1-CD 4.2Å; V122-K126 HydrophobicContact CG1-CG 4.37Å; V122-K126 WeakPolarHBondContact O-CB 3.36Å; V122-K126 WeakPolarHBondContact O-CG 3.37Å; V122-K126 PolarHBondContact O-N 2.99Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 2.6Å; K126-Q128 HydrophobicContact CB-CG 3.89Å; K126-Q128 PolarHBondContact O-N 2.88Å; K126-Q128 VanDerWaalsContact O-N 3.16Å; K126-D387 WeakPolarHBondContact CE-OD2 3.4Å; K126-E391 VanDerWaalsContact NZ-CG 3.33Å; K126-E391 IonicContact NZ-OE1 3.96Å; K126-E391 PolarHBondContact NZ-OE1 3.3Å
127Q97Very high98.3Very high177 Ų17722.5 Ų22.583%0.82711%0.112SC*.THydrogen-bonded Turntrans5630.4-179.9-55.21789.200113K123 L124 N125K123-Q127 PolarHBondContact O-N 2.95Å; L124-Q127 WeakPolarHBondContact O-CA 3.3Å; L124-Q127 PolarHBondContact O-N 2.93Å; N125-Q127 PolarHBondContact O-N 3.07Å
128Q96.3Very high98.3Very high85 Ų8522.6 Ų22.640%0.39711%0.112SC..SBendtrans-92.1-6.3-179.3-64.8-177.75.300112.9K10 K123 K126K10-Q128 WeakPolarHBondContact CD-O 3.45Å; K10-Q128 WeakPolarHBondContact CE-O 3.45Å; K10-Q128 PolarHBondContact NZ-O 3.01Å; K10-Q128 VanDerWaalsContact NZ-O 3.14Å; K123-Q128 HydrophobicContact CD-CB 3.81Å; K123-Q128 HydrophobicContact CG-CB 4.14Å; K123-Q128 PolarHBondContact O-N 3.42Å; K123-Q128 VanDerWaalsContact O-N 3.1Å; K126-Q128 HydrophobicContact CB-CG 3.89Å; K126-Q128 PolarHBondContact O-N 2.88Å; K126-Q128 VanDerWaalsContact O-N 3.16Å
129T97.8Very high98.3Very high7 Ų723.1 Ų23.14%0.04312%0.115CC..  trans-152.1153.3176.6-160.70000110K10 C12 K123 L124 I131 A132K10-T129 PolarHBondContact O-OG1 3.33Å; K10-T129 VanDerWaalsContact O-OG1 3.06Å; C12-T129 HydrophobicContact CB-CG2 4.41Å; C12-T129 PolarHBondContact N-OG1 3.33Å; C12-T129 WeakPolarHBondContact SG-CB 3.49Å; C12-T129 PolarHBondContact SG-OG1 3.09Å; K123-T129 HydrophobicContact CB-CG2 4.09Å; K123-T129 HydrophobicContact CG-CG2 3.66Å; L124-T129 HydrophobicContact CD2-CG2 3.78Å; L124-T129 HydrophobicContact CG-CG2 4.11Å; T129-I131 PolarHBondContact OG1-O 3.36Å; T129-A132 HydrophobicContact CG2-CB 4.13Å
130D98.4Very high98.3Very high74 Ų7423 Ų2340%0.39611%0.113SC..SBendtrans-90.8-39.1174.3-59.7-62.6000111.2R9 K10 L124 P294 M295R9-D130 WeakPolarHBondContact CA-OD2 3.21Å; R9-D130 HydrophobicContact CB-CB 3.83Å; R9-D130 HydrophobicContact CG-CB 3.73Å; K10-D130 PolarHBondContact N-OD2 3.25Å; K10-D130 PolarHBondContact O-N 3.49Å; K10-D130 VanDerWaalsContact O-N 3.1Å; L124-D130 WeakPolarHBondContact CD2-O 3.1Å; D130-P294 WeakPolarHBondContact O-CA 3.48Å; D130-M295 PolarHBondContact O-N 3.35Å
131I98.8Very high98.3Very high0 Ų023.2 Ų23.20%011%0.114CC..EExtended strand (participates in β ladder)trans-124.8136.1178.2-55.8172.9000108.6R9 K10 V11 C12 T129 V133 K289 M295 M297 A319R9-I131 HydrophobicContact CB-CD1 4.26Å; K10-I131 PolarHBondContact O-N 3.01Å; V11-I131 WeakPolarHBondContact CA-O 2.99Å; V11-I131 HydrophobicContact CG1-CG2 4.47Å; V11-I131 HydrophobicContact CG2-CB 4.21Å; V11-I131 HydrophobicContact CG2-CD1 4.42Å; C12-I131 PolarHBondContact N-O 3.07Å; T129-I131 PolarHBondContact OG1-O 3.36Å; I131-V133 HydrophobicContact CG2-CG2 4.07Å; I131-K289 HydrophobicContact CD1-CD 4.26Å; I131-K289 HydrophobicContact CD1-CG 4.05Å; I131-M295 CarbonylContact C-O 3.53Å; I131-M295 VanDerWaalsContact CA-O 3.27Å; I131-M295 WeakPolarHBondContact CA-O 3.08Å; I131-M295 HydrophobicContact CG1-CB 4.29Å; I131-M297 HydrophobicContact CG2-CG 4.39Å; I131-M297 HydrophobicContact CG2-SD 3.87Å; I131-A319 HydrophobicContact CD1-CB 4.27Å; I131-A319 HydrophobicContact CG2-CB 4.36Å
132A98.9Very high98.3Very high0 Ų023.2 Ų23.20%011%0.114CC..EExtended strand (participates in β ladder)trans-124.2138.7169.300000109.8C12 L124 T129 M295 L296 M297C12-A132 CarbonylContact O-C 3.58Å; C12-A132 WeakPolarHBondContact O-CA 3.33Å; L124-A132 HydrophobicContact CD1-CB 4.13Å; L124-A132 HydrophobicContact CG-CB 4.15Å; T129-A132 HydrophobicContact CG2-CB 4.13Å; A132-M295 PolarHBondContact N-O 2.95Å; A132-L296 HydrophobicContact CB-CD1 4.16Å; A132-L296 CarbonylContact O-C 3.47Å; A132-L296 WeakPolarHBondContact O-CA 3.4Å; A132-L296 WeakPolarHBondContact O-CD1 3.49Å; A132-M297 PolarHBondContact O-N 3.04Å
133V98.9Very high98.4Very high0 Ų023.6 Ų23.60%012%0.115CC..EExtended strand (participates in β ladder)trans-125.5125.4-172.7-175.50000109.9V11 C12 Y13 Y14 I131 W135 M297V11-V133 HydrophobicContact CG1-CG2 3.96Å; C12-V133 PolarHBondContact O-N 3.36Å; Y13-V133 HydrophobicContact CD2-CB 4Å; Y13-V133 HydrophobicContact CD2-CG1 3.9Å; Y13-V133 HydrophobicContact CE2-CG1 4.35Å; Y14-V133 PolarHBondContact N-O 3.3Å; I131-V133 HydrophobicContact CG2-CG2 4.07Å; V133-W135 HydrophobicContact CG1-CD2 3.76Å; V133-W135 HydrophobicContact CG1-CE3 4.3Å; V133-W135 HydrophobicContact CG1-CG 4.26Å; V133-W135 HydrophobicContact CG1-CH2 4.16Å; V133-W135 HydrophobicContact CG1-CZ2 3.55Å; V133-W135 HydrophobicContact CG1-CZ3 4.47Å; V133-M297 WeakPolarHBondContact CA-O 3.21Å; V133-M297 HydrophobicContact CG1-CB 4.38Å; V133-M297 HydrophobicContact CG2-CB 4.18Å; V133-M297 HydrophobicContact CG2-SD 4.33Å
134N98.9Very high98.4Very high1 Ų127.6 Ų27.61%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-135.195171.8176.625.6000110.9S113 S117 A136 G137 M297 L298 G299S113-N134 PolarHBondContact O-ND2 2.82Å; S117-N134 PolarHBondContact N-ND2 3.31Å; S117-N134 PolarHBondContact OG-ND2 2.87Å; N134-A136 PolarHBondContact O-N 3.24Å; N134-A136 WeakPolarHBondContact OD1-CB 3.27Å; N134-A136 PolarHBondContact OD1-N 3.43Å; N134-A136 VanDerWaalsContact OD1-N 3.17Å; N134-G137 PolarHBondContact ND2-N 2.66Å; N134-G137 PolarHBondContact O-N 3.49Å; N134-M297 PolarHBondContact N-O 2.85Å; N134-L298 HydrophobicContact CB-CD2 3.93Å; N134-L298 WeakPolarHBondContact O-CA 3.37Å; N134-G299 PolarHBondContact O-N 3.42Å
135W98.9Very high98.4Very high1 Ų129.6 Ų29.60%0.00415%0.147CC..THydrogen-bonded Turntrans-71.7-12.8179.1-60.7139.3000114.3Y13 V133 C261 M297 L298 W312 E315 T316Y13-W135 AromaticContact CE2-CD1 3.5Å; Y13-W135 VanDerWaalsContact CE2-CD1 3.5Å; Y13-W135 HydrophobicContact CE2-CG 4.34Å; Y13-W135 AromaticContact CE2-NE1 3.9Å; V133-W135 HydrophobicContact CG1-CD2 3.76Å; V133-W135 HydrophobicContact CG1-CE3 4.3Å; V133-W135 HydrophobicContact CG1-CG 4.26Å; V133-W135 HydrophobicContact CG1-CH2 4.16Å; V133-W135 HydrophobicContact CG1-CZ2 3.55Å; V133-W135 HydrophobicContact CG1-CZ3 4.47Å; W135-C261 HydrophobicContact CH2-CB 4.46Å; W135-C261 HydrophobicContact CZ3-CB 3.9Å; W135-M297 HydrophobicContact CH2-CB 4.35Å; W135-M297 HydrophobicContact CH2-CE 3.61Å; W135-M297 HydrophobicContact CZ2-CE 4.12Å; W135-M297 HydrophobicContact CZ3-CB 4.47Å; W135-L298 WeakPolarHBondContact CZ3-O 3.44Å; W135-W312 HydrophobicContact CB-CD2 4.33Å; W135-W312 HydrophobicContact CB-CE3 3.8Å; W135-W312 HydrophobicContact CB-CZ3 3.95Å; W135-W312 HydrophobicContact CD2-CB 3.88Å; W135-W312 HydrophobicContact CD2-CD2 4.13Å; W135-W312 HydrophobicContact CD2-CE3 4.44Å; W135-W312 AromaticContact CD2-CG 3.9Å; W135-W312 HydrophobicContact CD2-CG 3.9Å; W135-W312 HydrophobicContact CE3-CB 4.32Å; W135-W312 AromaticContact CE3-CD1 3.93Å; W135-W312 HydrophobicContact CE3-CD2 4.07Å; W135-W312 AromaticContact CE3-CG 3.9Å; W135-W312 HydrophobicContact CE3-CG 3.9Å; W135-W312 HydrophobicContact CG-CB 4.2Å; W135-W312 HydrophobicContact CG-CD2 4.24Å; W135-W312 HydrophobicContact CG-CE3 4.08Å; W135-W312 HydrophobicContact CG-CG 4.34Å; W135-W312 HydrophobicContact CH2-CB 4.45Å; W135-W312 HydrophobicContact CH2-CG 4.45Å; W135-W312 HydrophobicContact CZ2-CB 4.04Å; W135-W312 HydrophobicContact CZ2-CG 4.48Å; W135-W312 WeakPolarHBondContact CZ2-O 3.49Å; W135-W312 AromaticContact CZ3-CD1 3.85Å; W135-W312 HydrophobicContact CZ3-CG 4.19Å; W135-W312 WeakPolarHBondContact O-CH2 3.38Å; W135-E315 HydrophobicContact CH2-CB 4.09Å; W135-E315 HydrophobicContact CZ2-CB 4.28Å; W135-T316 WeakPolarHBondContact CZ2-OG1 3.35Å; W135-T316 PolarHBondContact NE1-OG1 2.95Å; W135-T316 VanDerWaalsContact NE1-OG1 3.09Å
136A98.8Very high98.4Very high12 Ų1233.3 Ų33.310%0.09916%0.163CC..THydrogen-bonded Turntrans-81.4-17.3173.300000113.3V19 I35 S113 N134 L139V19-A136 HydrophobicContact CG2-CB 4.01Å; I35-A136 HydrophobicContact CD1-CB 3.91Å; I35-A136 HydrophobicContact CG2-CB 4.48Å; S113-A136 WeakPolarHBondContact CB-O 3.32Å; S113-A136 PolarHBondContact OG-O 3.37Å; N134-A136 PolarHBondContact O-N 3.24Å; N134-A136 WeakPolarHBondContact OD1-CB 3.27Å; N134-A136 PolarHBondContact OD1-N 3.43Å; N134-A136 VanDerWaalsContact OD1-N 3.17Å; A136-L139 WeakPolarHBondContact O-CD1 3.5Å
137G98.7Very high98.5Very high1 Ų130.7 Ų30.71%0.0115%0.152CC..  trans-85.4-166.3176.300000113.4N134 D155 G299 G300N134-G137 PolarHBondContact ND2-N 2.66Å; N134-G137 PolarHBondContact O-N 3.49Å; G137-D155 WeakPolarHBondContact CA-OD2 3.5Å; G137-G299 CarbonylContact O-C 3.59Å; G137-G299 WeakPolarHBondContact O-CA 3.34Å; G137-G299 PolarHBondContact O-N 2.97Å; G137-G300 PolarHBondContact O-N 2.81Å
138G98.7Very high98.5Very high1 Ų123 Ų231%0.0112%0.118CC..  trans91.123.6178.200000114H140 D155 Q260G138-H140 VanDerWaalsContact C-N 3.27Å; G138-H140 PolarHBondContact O-N 2.84Å; G138-D155 PolarHBondContact N-OD1 2.95Å; G138-D155 VanDerWaalsContact N-OD1 3.13Å; G138-D155 PolarHBondContact N-OD2 2.99Å; G138-Q260 PolarHBondContact O-NE2 2.9Å
139L98.8Very high98.5Very high15 Ų1519.5 Ų19.58%0.07910%0.104CC..  trans-82.470.1-176-77.971.9000111F109 S113 A136 H141 C151 D155F109-L139 HydrophobicContact CE1-CD2 4.12Å; S113-L139 WeakPolarHBondContact OG-CD1 3.43Å; A136-L139 WeakPolarHBondContact O-CD1 3.5Å; L139-H141 VanDerWaalsContact C-N 3.35Å; L139-H141 PolarHBondContact O-N 3.4Å; L139-C151 VanDerWaalsContact C-SG 3.51Å; L139-C151 VanDerWaalsContact CA-SG 3.52Å; L139-C151 HydrophobicContact CB-CB 3.86Å; L139-C151 HydrophobicContact CG-CB 4.45Å; L139-D155 PolarHBondContact N-OD1 3.09Å
140H98.8Very high98.6Very high5 Ų520.4 Ų20.42%0.02311%0.108CC..THydrogen-bonded Turntrans-72.5-14.3-165.365.7175.4000116.5G138 N154 I156 D174 D176 G180 G182 V183G138-H140 VanDerWaalsContact C-N 3.27Å; G138-H140 PolarHBondContact O-N 2.84Å; H140-N154 PolarHBondContact O-ND2 3.06Å; H140-I156 HydrophobicContact CB-CD1 3.56Å; H140-D174 IonicContact CE1-OD1 3.17Å; H140-D174 IonicContact CE1-OD2 3.21Å; H140-D174 IonicContact CG-OD2 3.97Å; H140-D174 IonicContact ND1-OD1 3.62Å; H140-D174 IonicContact ND1-OD2 2.7Å; H140-D174 PolarHBondContact ND1-OD2 2.83Å; H140-D176 VanDerWaalsContact CE1-CB 3.45Å; H140-D176 WeakPolarHBondContact CE1-CB 3.35Å; H140-D176 VanDerWaalsContact CE1-CG 3.45Å; H140-D176 IonicContact CE1-OD1 2.93Å; H140-D176 IonicContact CE1-OD2 3.97Å; H140-D176 IonicContact NE2-OD1 2.69Å; H140-D176 IonicContact NE2-OD2 3.96Å; H140-G180 WeakPolarHBondContact ND1-CA 3.43Å; H140-G182 WeakPolarHBondContact O-CA 3.21Å; H140-G182 PolarHBondContact O-N 2.94Å; H140-V183 HydrophobicContact CB-CG2 3.99Å; H140-V183 PolarHBondContact O-N 3Å
141H98.9Very high98.6Very high5 Ų517.2 Ų17.22%0.0239%0.092CC..THydrogen-bonded Turntrans-86.2-18.8-175.7-68.9-47000114L139 K143 S148 C151 H178 H179 D181 F205L139-H141 VanDerWaalsContact C-N 3.35Å; L139-H141 PolarHBondContact O-N 3.4Å; H141-K143 WeakPolarHBondContact O-CD 3.49Å; H141-K143 WeakPolarHBondContact O-CE 3.42Å; H141-K143 PolarHBondContact O-N 3.06Å; H141-S148 WeakPolarHBondContact CB-O 3.43Å; H141-S148 WeakPolarHBondContact O-CB 3.42Å; H141-C151 HydrophobicContact CB-CB 4.01Å; H141-H178 WeakPolarHBondContact NE2-CB 3.32Å; H141-H178 AromaticContact NE2-CG 3.9Å; H141-H179 PolarHBondContact CE1-O 3.45Å; H141-H179 VanDerWaalsContact CE1-O 3.24Å; H141-D181 WeakPolarHBondContact CA-OD1 3.47Å; H141-D181 IonicContact CE1-OD1 3.44Å; H141-D181 IonicContact CG-OD1 3.93Å; H141-D181 IonicContact ND1-OD1 3.57Å; H141-D181 PolarHBondContact ND1-OD1 2.88Å; H141-F205 AromaticContact CD2-CE1 3.68Å; H141-F205 AromaticContact CE1-CE1 3.63Å; H141-F205 AromaticContact CG-CE1 3.86Å; H141-F205 AromaticContact ND1-CE1 3.83Å; H141-F205 AromaticContact NE2-CD1 3.9Å; H141-F205 AromaticContact NE2-CE1 3.48Å; H141-F205 WeakPolarHBondContact NE2-CE1 3.18Å
142A98.8Very high98.6Very high0 Ų017.2 Ų17.20%09%0.092CC..  trans-60.8130.7-177.300000110.9C151 N154A142-C151 HydrophobicContact CB-CB 3.76Å; A142-N154 HydrophobicContact CB-CB 3.81Å; A142-N154 PolarHBondContact O-ND2 3.33Å
143K98.6Very high98.6Very high18 Ų1817.3 Ų17.38%0.0789%0.092CC..  trans-97174.7-179.3-52-56.6-178.2-179.20110.7H68 H141 S145 E146 D181H68-K143 PolarHBondContact CE1-O 3.16Å; H68-K143 PolarHBondContact ND1-O 3Å; H141-K143 WeakPolarHBondContact O-CD 3.49Å; H141-K143 WeakPolarHBondContact O-CE 3.42Å; H141-K143 PolarHBondContact O-N 3.06Å; K143-S145 VanDerWaalsContact C-N 3.25Å; K143-S145 PolarHBondContact O-N 3.45Å; K143-E146 HydrophobicContact CB-CG 3.59Å; K143-E146 HydrophobicContact CG-CG 3.71Å; K143-E146 PolarHBondContact N-O 3.47Å; K143-D181 WeakPolarHBondContact CE-OD2 3.19Å; K143-D181 VanDerWaalsContact NZ-C 3.31Å; K143-D181 PolarHBondContact NZ-O 2.92Å; K143-D181 IonicContact NZ-OD1 2.82Å; K143-D181 PolarHBondContact NZ-OD1 3.4Å; K143-D181 IonicContact NZ-OD2 3.78Å; K143-D181 PolarHBondContact NZ-OD2 2.87Å
144K98.5Very high98.6Very high114 Ų11417.3 Ų17.350%0.4969%0.092SC..SBendtrans-57.2-38.3179.5-174.8166.4-175.7170.40113.1Y67 H68 S69Y67-K144 HydrophobicContact CE1-CB 4.45Å; Y67-K144 HydrophobicContact CE2-CB 4.1Å; Y67-K144 HydrophobicContact CE2-CG 4.37Å; Y67-K144 WeakPolarHBondContact O-CE 3.39Å; Y67-K144 WeakPolarHBondContact O-CG 3.26Å; Y67-K144 PolarHBondContact OH-N 3.2Å; H68-K144 VanDerWaalsContact CA-O 3.27Å; H68-K144 WeakPolarHBondContact CA-O 3.25Å; H68-K144 PolarHBondContact ND1-O 2.83Å; S69-K144 PolarHBondContact N-O 3.3Å
145S98.5Very high98.6Very high45 Ų4517.3 Ų17.332%0.3159%0.092SC..SBendtrans-135.621.6-173.7-56.60000113.7S69 F94 K143S69-S145 WeakPolarHBondContact CB-OG 3.48Å; S69-S145 WeakPolarHBondContact OG-CB 3.46Å; S69-S145 PolarHBondContact OG-OG 2.95Å; F94-S145 WeakPolarHBondContact CD1-O 3.38Å; K143-S145 VanDerWaalsContact C-N 3.25Å; K143-S145 PolarHBondContact O-N 3.45Å
146E97.9Very high98.6Very high83 Ų8317.2 Ų17.239%0.3889%0.092SC..SBendtrans-157.3152176.358.9-176.5148.900111.1F94 N95 K143F94-E146 WeakPolarHBondContact O-CA 3.27Å; N95-E146 HydrophobicContact CB-CB 4.23Å; K143-E146 HydrophobicContact CB-CG 3.59Å; K143-E146 HydrophobicContact CG-CG 3.71Å; K143-E146 PolarHBondContact N-O 3.47Å
147A98.6Very high98.6Very high0 Ų016.7 Ų16.70%09%0.087CC..  trans-78.6152.316900000110Y72 F94 N95 V96 C100 C151 Y152Y72-A147 WeakPolarHBondContact OH-CA 3.33Å; Y72-A147 PolarHBondContact OH-N 2.89Å; F94-A147 PolarHBondContact O-N 3.05Å; N95-A147 WeakPolarHBondContact CB-O 3.15Å; N95-A147 PolarHBondContact ND2-O 2.82Å; V96-A147 HydrophobicContact CG2-CB 3.72Å; C100-A147 HydrophobicContact CB-CB 3.89Å; A147-C151 CarbonylContact C-O 3.54Å; A147-C151 VanDerWaalsContact CA-O 3.23Å; A147-C151 WeakPolarHBondContact CA-O 3.27Å; A147-C151 WeakPolarHBondContact CB-O 3.22Å; A147-Y152 HydrophobicContact CB-CD1 3.74Å; A147-Y152 HydrophobicContact CB-CE1 4.26Å; A147-Y152 HydrophobicContact CB-CG 4.46Å
148S98.5Very high98.6Very high16 Ų1617 Ų1711%0.1129%0.089CC..BIsolated β-bridgetrans-159.5145176-172.80000109.8H141 F150 C151 F205H141-S148 WeakPolarHBondContact CB-O 3.43Å; H141-S148 WeakPolarHBondContact O-CB 3.42Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 2.67Å; S148-C151 PolarHBondContact N-O 3.31Å; S148-C151 WeakPolarHBondContact O-CA 3.13Å; S148-C151 VanDerWaalsContact O-CB 3.24Å; S148-C151 WeakPolarHBondContact O-CB 3.39Å; S148-C151 PolarHBondContact O-N 3.18Å; S148-F205 WeakPolarHBondContact OG-CZ 3.4Å
149G96.9Very high98.6Very high11 Ų1117 Ų1711%0.1139%0.088CC..THydrogen-bonded Turntrans49.649.7173.100000114.2C151G149-C151 PolarHBondContact O-N 3.08Å; G149-C151 VanDerWaalsContact O-N 3.14Å; G149-C151 PolarHBondContact O-SG 2.62Å
150F98.3Very high98.6Very high26 Ų2616.2 Ų16.211%0.1148%0.084CC..THydrogen-bonded Turntrans69.60.5-177.8-38.7-42.3000115.9Y24 H28 P29 M30 D99 C100 S148 L271 Y303Y24-F150 HydrophobicContact CE1-CB 4.04Å; Y24-F150 PolarHBondContact OH-O 3.09Å; H28-F150 AromaticContact CE1-CD1 3.31Å; H28-F150 WeakPolarHBondContact CE1-CD1 3.43Å; H28-F150 AromaticContact CE1-CE1 3.57Å; H28-F150 AromaticContact CE1-CG 3.84Å; H28-F150 AromaticContact NE2-CD1 3.4Å; H28-F150 WeakPolarHBondContact NE2-CD1 3.43Å; H28-F150 AromaticContact NE2-CE1 3.48Å; H28-F150 WeakPolarHBondContact NE2-CE1 3.39Å; P29-F150 HydrophobicContact CG-CE1 4.39Å; P29-F150 HydrophobicContact CG-CE2 4.1Å; P29-F150 HydrophobicContact CG-CZ 3.73Å; M30-F150 HydrophobicContact CB-CB 4.38Å; M30-F150 HydrophobicContact CB-CD2 4.39Å; M30-F150 HydrophobicContact CB-CG 4.33Å; M30-F150 HydrophobicContact CE-CB 4.29Å; M30-F150 HydrophobicContact CE-CD2 4.34Å; D99-F150 HydrophobicContact CB-CE1 4.31Å; D99-F150 WeakPolarHBondContact O-CD1 3.33Å; C100-F150 PolarHBondContact SG-N 3.46Å; C100-F150 VanDerWaalsContact SG-N 3.35Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 2.67Å; F150-L271 HydrophobicContact CE2-CD1 4.11Å; F150-L271 HydrophobicContact CZ-CD1 4.38Å; F150-Y303 AromaticContact CD2-CE1 3.92Å; F150-Y303 HydrophobicContact CD2-CE1 3.92Å; F150-Y303 WeakPolarHBondContact CD2-OH 3.49Å; F150-Y303 AromaticContact CE2-CE1 3.74Å; F150-Y303 HydrophobicContact CE2-CE1 3.74Å; F150-Y303 AromaticContact CE2-CZ 3.84Å
151C98.8Very high98.6Very high8 Ų818.8 Ų18.85%0.05410%0.098CC..BIsolated β-bridgetrans-104.6126.7-174.9-56.90000111L139 H141 A142 A147 S148 G149L139-C151 VanDerWaalsContact C-SG 3.51Å; L139-C151 VanDerWaalsContact CA-SG 3.52Å; L139-C151 HydrophobicContact CB-CB 3.86Å; L139-C151 HydrophobicContact CG-CB 4.45Å; H141-C151 HydrophobicContact CB-CB 4.01Å; A142-C151 HydrophobicContact CB-CB 3.76Å; A147-C151 CarbonylContact C-O 3.54Å; A147-C151 VanDerWaalsContact CA-O 3.23Å; A147-C151 WeakPolarHBondContact CA-O 3.27Å; A147-C151 WeakPolarHBondContact CB-O 3.22Å; S148-C151 PolarHBondContact N-O 3.31Å; S148-C151 WeakPolarHBondContact O-CA 3.13Å; S148-C151 VanDerWaalsContact O-CB 3.24Å; S148-C151 WeakPolarHBondContact O-CB 3.39Å; S148-C151 PolarHBondContact O-N 3.18Å; G149-C151 PolarHBondContact O-N 3.08Å; G149-C151 VanDerWaalsContact O-N 3.14Å; G149-C151 PolarHBondContact O-SG 2.62Å
152Y98.8Very high98.6Very high0 Ų018.8 Ų18.80%010%0.098CC..SBendtrans-105.3-48-179.8-54.3-87.5000112.1Y24 Y72 L76 V96 C100 P101 F103 L106 A147Y24-Y152 AromaticContact CE1-CE2 3.84Å; Y24-Y152 HydrophobicContact CE1-CE2 3.84Å; Y24-Y152 AromaticContact CZ-CE2 3.93Å; Y72-Y152 VanDerWaalsContact CE1-O 3.24Å; Y72-Y152 WeakPolarHBondContact CE1-O 3.49Å; Y72-Y152 WeakPolarHBondContact OH-CA 3.33Å; Y72-Y152 PolarHBondContact OH-O 2.73Å; L76-Y152 HydrophobicContact CD2-CD1 4.28Å; V96-Y152 HydrophobicContact CG1-CE1 4.46Å; V96-Y152 HydrophobicContact CG2-CD1 4.22Å; V96-Y152 HydrophobicContact CG2-CE1 4.28Å; C100-Y152 WeakPolarHBondContact CA-OH 3.2Å; C100-Y152 HydrophobicContact CB-CD1 4.42Å; C100-Y152 HydrophobicContact CB-CE1 3.62Å; P101-Y152 WeakPolarHBondContact CD-OH 3.41Å; P101-Y152 VanDerWaalsContact N-OH 3.17Å; P101-Y152 PolarHBondContact O-OH 2.82Å; F103-Y152 HydrophobicContact CE1-CE2 4.05Å; L106-Y152 HydrophobicContact CD1-CD1 4.19Å; L106-Y152 HydrophobicContact CD1-CE1 3.71Å; L106-Y152 HydrophobicContact CD1-CE2 4.4Å; L106-Y152 HydrophobicContact CD2-CD1 4.36Å; L106-Y152 HydrophobicContact CD2-CG 4.43Å; L106-Y152 HydrophobicContact CG-CE1 4.44Å; A147-Y152 HydrophobicContact CB-CD1 3.74Å; A147-Y152 HydrophobicContact CB-CE1 4.26Å; A147-Y152 HydrophobicContact CB-CG 4.46Å
153V98.9Very high98.6Very high2 Ų218.8 Ų18.81%0.01210%0.098CC..SBendtrans-118133.3177.6177.20000107.9M64 I73 L76 C110 T114 D155 L158M64-V153 HydrophobicContact CG-CG1 4.14Å; M64-V153 HydrophobicContact SD-CG1 4.34Å; M64-V153 HydrophobicContact SD-CG2 4.02Å; I73-V153 HydrophobicContact CD1-CG2 4.16Å; L76-V153 HydrophobicContact CD1-CG2 3.84Å; C110-V153 HydrophobicContact CB-CB 4.28Å; C110-V153 HydrophobicContact CB-CG2 3.84Å; T114-V153 HydrophobicContact CG2-CG1 4.4Å; T114-V153 VanDerWaalsContact OG1-CG1 3.3Å; T114-V153 WeakPolarHBondContact OG1-CG1 3.44Å; V153-D155 PolarHBondContact O-N 3.19Å; V153-L158 HydrophobicContact CG1-CD1 3.87Å
154N98.9Very high98.6Very high0 Ų019 Ų190%010%0.1CC..  trans-88.886.2-179.3-160-47.3000109.2Y67 H68 H140 A142 I156 V157 L158Y67-N154 HydrophobicContact CD1-CB 4.37Å; Y67-N154 HydrophobicContact CE1-CB 4.1Å; H68-N154 PolarHBondContact CE1-N 3.47Å; H68-N154 PolarHBondContact NE2-N 2.91Å; H140-N154 PolarHBondContact O-ND2 3.06Å; A142-N154 HydrophobicContact CB-CB 3.81Å; A142-N154 PolarHBondContact O-ND2 3.33Å; N154-I156 PolarHBondContact O-N 3.14Å; N154-I156 WeakPolarHBondContact OD1-CB 3.32Å; N154-I156 PolarHBondContact OD1-N 2.84Å; N154-V157 HydrophobicContact CB-CB 4.23Å; N154-V157 HydrophobicContact CB-CG2 4.15Å; N154-V157 VanDerWaalsContact CG-CG2 3.5Å; N154-V157 PolarHBondContact O-N 3.05Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.17Å; N154-V157 PolarHBondContact OD1-N 3.35Å; N154-L158 PolarHBondContact O-N 3.23Å
155D98.9Very high98.6Very high0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-60.3-30.2179.668-68.9000112.3S117 G137 G138 L139 V153 L158 A159S117-D155 WeakPolarHBondContact CB-OD2 3.18Å; S117-D155 PolarHBondContact OG-OD2 3.46Å; G137-D155 WeakPolarHBondContact CA-OD2 3.5Å; G138-D155 PolarHBondContact N-OD1 2.95Å; G138-D155 VanDerWaalsContact N-OD1 3.13Å; G138-D155 PolarHBondContact N-OD2 2.99Å; L139-D155 PolarHBondContact N-OD1 3.09Å; V153-D155 PolarHBondContact O-N 3.19Å; D155-L158 PolarHBondContact O-N 3.39Å; D155-A159 WeakPolarHBondContact O-CB 3.23Å; D155-A159 PolarHBondContact O-N 2.82Å
156I98.9Very high98.5Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-66.5-49.4179.7-44-176.6000110.7H140 N154 L158 A159 I160 Y172 V183 V258 Q260 L298H140-I156 HydrophobicContact CB-CD1 3.56Å; N154-I156 PolarHBondContact O-N 3.14Å; N154-I156 WeakPolarHBondContact OD1-CB 3.32Å; N154-I156 PolarHBondContact OD1-N 2.84Å; I156-L158 VanDerWaalsContact C-N 3.28Å; I156-L158 PolarHBondContact O-N 3.28Å; I156-A159 PolarHBondContact O-N 2.9Å; I156-I160 HydrophobicContact CG2-CD1 3.89Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 VanDerWaalsContact O-CG1 3.32Å; I156-I160 WeakPolarHBondContact O-CG1 3.5Å; I156-I160 PolarHBondContact O-N 3.35Å; I156-Y172 HydrophobicContact CD1-CE2 4.07Å; I156-Y172 WeakPolarHBondContact CD1-OH 3.38Å; I156-Y172 HydrophobicContact CG2-CD2 3.8Å; I156-Y172 HydrophobicContact CG2-CE2 3.42Å; I156-Y172 VanDerWaalsContact CG2-CE2 3.42Å; I156-V183 HydrophobicContact CB-CG2 3.91Å; I156-V183 HydrophobicContact CD1-CG2 3.86Å; I156-V183 HydrophobicContact CG1-CG2 4.42Å; I156-V183 HydrophobicContact CG2-CG1 4.31Å; I156-V183 HydrophobicContact CG2-CG2 3.93Å; I156-V258 HydrophobicContact CG2-CG1 4.01Å; I156-Q260 HydrophobicContact CD1-CB 4.47Å; I156-Q260 HydrophobicContact CD1-CG 4.02Å; I156-L298 HydrophobicContact CB-CD1 4.27Å; I156-L298 HydrophobicContact CD1-CD1 4.46Å; I156-L298 HydrophobicContact CG1-CD1 3.78Å; I156-L298 HydrophobicContact CG2-CD1 4.18Å
157V98.9Very high98.5Very high1 Ų114.9 Ų14.91%0.0067%0.073CC..Hα-helixtrans-60.1-43.2178.7172.30000110.3Y67 N154 I160 L161 V183 A186 F187Y67-V157 HydrophobicContact CD1-CB 4.1Å; Y67-V157 HydrophobicContact CD1-CG1 3.76Å; Y67-V157 HydrophobicContact CD2-CG1 3.58Å; Y67-V157 HydrophobicContact CE1-CB 4.31Å; Y67-V157 HydrophobicContact CE1-CG1 4.13Å; Y67-V157 HydrophobicContact CE1-CG2 4.34Å; Y67-V157 HydrophobicContact CE2-CG1 3.98Å; Y67-V157 HydrophobicContact CG-CB 4.3Å; Y67-V157 HydrophobicContact CG-CG1 3.47Å; Y67-V157 VanDerWaalsContact CG-CG1 3.47Å; N154-V157 HydrophobicContact CB-CB 4.23Å; N154-V157 HydrophobicContact CB-CG2 4.15Å; N154-V157 VanDerWaalsContact CG-CG2 3.5Å; N154-V157 PolarHBondContact O-N 3.05Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.17Å; N154-V157 PolarHBondContact OD1-N 3.35Å; V157-I160 PolarHBondContact O-N 3.33Å; V157-L161 HydrophobicContact CG1-CD1 4.16Å; V157-L161 HydrophobicContact CG1-CG 4.44Å; V157-L161 VanDerWaalsContact O-CG 3.28Å; V157-L161 WeakPolarHBondContact O-CG 3.21Å; V157-L161 PolarHBondContact O-N 3.46Å; V157-V183 HydrophobicContact CG2-CG1 4.49Å; V157-V183 HydrophobicContact CG2-CG2 4.4Å; V157-A186 HydrophobicContact CB-CB 4.42Å; V157-A186 HydrophobicContact CG1-CB 3.91Å; V157-A186 HydrophobicContact CG2-CB 3.53Å; V157-F187 HydrophobicContact CB-CE2 4.35Å; V157-F187 HydrophobicContact CG1-CE2 4.15Å; V157-F187 HydrophobicContact CG1-CZ 3.97Å; V157-F187 HydrophobicContact CG2-CE2 4.06Å
158L98.9Very high98.3Very high7 Ų717.4 Ų17.44%0.0379%0.085CC..Hα-helixtrans-63.9-42.8177.8-65.7170.7000112.1E63 M64 K66 T114 V118 V153 N154 D155 I156 L161 E162E63-L158 WeakPolarHBondContact O-CD2 3.49Å; M64-L158 HydrophobicContact CG-CD1 4.5Å; K66-L158 HydrophobicContact CB-CD2 4.14Å; T114-L158 HydrophobicContact CG2-CD1 3.48Å; T114-L158 VanDerWaalsContact CG2-CD1 3.48Å; V118-L158 HydrophobicContact CG2-CB 3.99Å; V153-L158 HydrophobicContact CG1-CD1 3.87Å; N154-L158 PolarHBondContact O-N 3.23Å; D155-L158 PolarHBondContact O-N 3.39Å; I156-L158 VanDerWaalsContact C-N 3.28Å; I156-L158 PolarHBondContact O-N 3.28Å; L158-L161 PolarHBondContact O-N 3.24Å; L158-E162 PolarHBondContact O-N 3.27Å; L158-E162 VanDerWaalsContact O-N 3.08Å
159A98.9Very high98.3Very high0 Ų018.6 Ų18.60%09%0.087CC..Hα-helixtrans-63.9-41.3174.900000112.4A121 D155 I156 E162 L163 L296A121-A159 HydrophobicContact CB-CB 4.12Å; D155-A159 WeakPolarHBondContact O-CB 3.23Å; D155-A159 PolarHBondContact O-N 2.82Å; I156-A159 PolarHBondContact O-N 2.9Å; A159-E162 WeakPolarHBondContact O-CB 3.34Å; A159-E162 PolarHBondContact O-N 3.47Å; A159-L163 WeakPolarHBondContact O-CG 3.22Å; A159-L163 PolarHBondContact O-N 3.06Å; A159-L296 HydrophobicContact CB-CD2 3.76Å
160I98.9Very high98.3Very high0 Ų018.1 Ų18.10%08%0.082CC..Hα-helixtrans-65.1-41.9176.1-68.6167.4000110.8I156 V157 E162 L163 L164 V170 Y172 V183 F187 V193 V258I156-I160 HydrophobicContact CG2-CD1 3.89Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 VanDerWaalsContact O-CG1 3.32Å; I156-I160 WeakPolarHBondContact O-CG1 3.5Å; I156-I160 PolarHBondContact O-N 3.35Å; V157-I160 PolarHBondContact O-N 3.33Å; I160-E162 PolarHBondContact O-N 2.92Å; I160-L163 PolarHBondContact O-N 2.56Å; I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.19Å; I160-L164 WeakPolarHBondContact O-CB 3.26Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.18Å; I160-L164 PolarHBondContact O-N 2.77Å; I160-V170 HydrophobicContact CG1-CG1 4.22Å; I160-V170 HydrophobicContact CG2-CB 4.28Å; I160-V170 HydrophobicContact CG2-CG1 4.11Å; I160-Y172 HydrophobicContact CD1-CD2 4.18Å; I160-Y172 HydrophobicContact CD1-CG 4.32Å; I160-V183 HydrophobicContact CD1-CG1 3.93Å; I160-F187 HydrophobicContact CB-CE2 3.96Å; I160-F187 HydrophobicContact CB-CZ 3.79Å; I160-F187 HydrophobicContact CD1-CD2 4.49Å; I160-F187 HydrophobicContact CD1-CE2 3.82Å; I160-F187 HydrophobicContact CG2-CE1 4.04Å; I160-F187 HydrophobicContact CG2-CE2 3.73Å; I160-F187 HydrophobicContact CG2-CZ 3.41Å; I160-F187 VanDerWaalsContact CG2-CZ 3.41Å; I160-V193 HydrophobicContact CG2-CG1 4.19Å; I160-V193 HydrophobicContact CG2-CG2 3.62Å; I160-V258 HydrophobicContact CG1-CB 4.47Å; I160-V258 HydrophobicContact CG1-CG2 3.85Å
161L98.8Very high98.4Very high59 Ų5916.9 Ų16.931%0.3098%0.076SC..Hα-helixtrans-59.1-37.3174.7-73.2172.9000111.9V157 L158 L164 F187V157-L161 HydrophobicContact CG1-CD1 4.16Å; V157-L161 HydrophobicContact CG1-CG 4.44Å; V157-L161 VanDerWaalsContact O-CG 3.28Å; V157-L161 WeakPolarHBondContact O-CG 3.21Å; V157-L161 PolarHBondContact O-N 3.46Å; L158-L161 PolarHBondContact O-N 3.24Å; L161-L164 HydrophobicContact CD2-CD1 4.43Å; L161-F187 HydrophobicContact CD2-CE1 4.19Å; L161-F187 HydrophobicContact CD2-CZ 4.48Å; L161-F187 HydrophobicContact CG-CZ 4.41Å
162E98.8Very high98.4Very high4 Ų416.6 Ų16.62%0.0197%0.074CC..Hα-helixtrans-66.6-47.4173.7-165.262.3-155.300111.3K66 A121 V122 N125 L158 A159 I160 L164 K165 D387 A388K66-E162 IonicContact NZ-OE2 2.96Å; A121-E162 HydrophobicContact CB-CB 3.9Å; A121-E162 HydrophobicContact CB-CG 4.08Å; V122-E162 HydrophobicContact CG2-CG 3.78Å; N125-E162 PolarHBondContact ND2-O 3.27Å; L158-E162 PolarHBondContact O-N 3.27Å; L158-E162 VanDerWaalsContact O-N 3.08Å; A159-E162 WeakPolarHBondContact O-CB 3.34Å; A159-E162 PolarHBondContact O-N 3.47Å; I160-E162 PolarHBondContact O-N 2.92Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 2.92Å; E162-K165 WeakPolarHBondContact O-CB 3.47Å; E162-K165 WeakPolarHBondContact O-CG 3.35Å; E162-K165 PolarHBondContact O-N 3.29Å; E162-K165 VanDerWaalsContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 2.88Å; E162-K165 PolarHBondContact OE1-NZ 3.31Å; E162-K165 VanDerWaalsContact OE2-CE 3.24Å; E162-K165 WeakPolarHBondContact OE2-CE 3.5Å; E162-K165 IonicContact OE2-NZ 2.73Å; E162-K165 PolarHBondContact OE2-NZ 3.18Å; E162-D387 WeakPolarHBondContact OE1-CA 3.32Å; E162-A388 PolarHBondContact OE1-N 3.13Å; E162-A388 WeakPolarHBondContact OE2-CB 3.47Å
163L98.7Very high98.4Very high1 Ų116.6 Ų16.61%0.0057%0.074CC..Hα-helixtrans-59.2-37.5176.1-70.3171.3000112.5A121 L124 N125 A159 I160 K165 Y166 H167 V170 A256 V258A121-L163 HydrophobicContact CB-CD2 4.24Å; A121-L163 HydrophobicContact CB-CG 4.04Å; L124-L163 HydrophobicContact CB-CD2 4.11Å; L124-L163 HydrophobicContact CD1-CD2 4.41Å; N125-L163 WeakPolarHBondContact OD1-CA 3.12Å; A159-L163 WeakPolarHBondContact O-CG 3.22Å; A159-L163 PolarHBondContact O-N 3.06Å; I160-L163 PolarHBondContact O-N 2.56Å; L163-K165 PolarHBondContact O-N 2.86Å; L163-Y166 PolarHBondContact O-N 3.17Å; L163-Y166 VanDerWaalsContact O-N 3.08Å; L163-H167 WeakPolarHBondContact O-CB 3.5Å; L163-H167 PolarHBondContact O-CD2 2.9Å; L163-H167 PolarHBondContact O-N 2.99Å; L163-V170 HydrophobicContact CB-CG2 3.83Å; L163-V170 HydrophobicContact CD1-CG1 4.07Å; L163-A256 HydrophobicContact CD1-CB 4.46Å; L163-A256 HydrophobicContact CD2-CB 4.43Å; L163-V258 HydrophobicContact CD1-CG2 3.51Å
164L98.3Very high98.4Very high22 Ų2216.5 Ų16.512%0.1157%0.074CC..THydrogen-bonded Turntrans-63.9-9.4178.8-75.3171.2000114I160 L161 E162 Y166 V170 F187 R192 V193I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.19Å; I160-L164 WeakPolarHBondContact O-CB 3.26Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.18Å; I160-L164 PolarHBondContact O-N 2.77Å; L161-L164 HydrophobicContact CD2-CD1 4.43Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 2.92Å; L164-Y166 VanDerWaalsContact C-N 3.35Å; L164-V170 HydrophobicContact CD2-CB 4.48Å; L164-V170 HydrophobicContact CD2-CG2 3.87Å; L164-V170 HydrophobicContact CG-CG2 4.12Å; L164-F187 HydrophobicContact CD1-CE1 4.08Å; L164-R192 HydrophobicContact CD2-CB 3.86Å; L164-R192 PolarHBondContact O-NH2 2.84Å; L164-V193 HydrophobicContact CD1-CG2 3.73Å; L164-V193 HydrophobicContact CD2-CG2 3.97Å; L164-V193 HydrophobicContact CG-CG2 4.21Å
165K97.5Very high98.4Very high35 Ų3516.5 Ų16.515%0.1527%0.074CC..THydrogen-bonded Turntrans-68.7-33.8170.8-64.9178.2180169.20112.6E162 L163 I384 P385 E386E162-K165 WeakPolarHBondContact O-CB 3.47Å; E162-K165 WeakPolarHBondContact O-CG 3.35Å; E162-K165 PolarHBondContact O-N 3.29Å; E162-K165 VanDerWaalsContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 2.88Å; E162-K165 PolarHBondContact OE1-NZ 3.31Å; E162-K165 VanDerWaalsContact OE2-CE 3.24Å; E162-K165 WeakPolarHBondContact OE2-CE 3.5Å; E162-K165 IonicContact OE2-NZ 2.73Å; E162-K165 PolarHBondContact OE2-NZ 3.18Å; L163-K165 PolarHBondContact O-N 2.86Å; K165-I384 HydrophobicContact CB-CG2 4.36Å; K165-P385 HydrophobicContact CG-CG 4.46Å; K165-E386 WeakPolarHBondContact CE-O 3.33Å; K165-E386 PolarHBondContact NZ-O 3.04Å
166Y97.3Very high98.4Very high97 Ų9716.5 Ų16.538%0.387%0.074SC..THydrogen-bonded Turntrans-115.6-25.1-176-63.4-99.3000112.8N125 L163 L164 I384 D387N125-Y166 HydrophobicContact CB-CD2 3.51Å; N125-Y166 HydrophobicContact CB-CE2 3.8Å; N125-Y166 HydrophobicContact CB-CG 4.03Å; N125-Y166 WeakPolarHBondContact ND2-CD2 3.26Å; L163-Y166 PolarHBondContact O-N 3.17Å; L163-Y166 VanDerWaalsContact O-N 3.08Å; L164-Y166 VanDerWaalsContact C-N 3.35Å; Y166-I384 HydrophobicContact CD1-CD1 4.03Å; Y166-I384 HydrophobicContact CD1-CG2 4.47Å; Y166-I384 HydrophobicContact CD2-CG2 4.45Å; Y166-I384 HydrophobicContact CE1-CD1 3.89Å; Y166-I384 HydrophobicContact CE1-CG2 3.91Å; Y166-I384 HydrophobicContact CE2-CG2 3.89Å; Y166-D387 VanDerWaalsContact CE2-OD1 3.28Å; Y166-D387 WeakPolarHBondContact CE2-OD1 3.47Å; Y166-D387 PolarHBondContact OH-OD1 3.39Å
167H97.1Very high98.4Very high23 Ų2316.5 Ų16.511%0.1067%0.074CC..  trans-103.7120.2-176.9-63.4-70.6000111.2N125 L163 R169 V170 R192 S255 A256N125-H167 PolarHBondContact OD1-CD2 2.69Å; L163-H167 WeakPolarHBondContact O-CB 3.5Å; L163-H167 PolarHBondContact O-CD2 2.9Å; L163-H167 PolarHBondContact O-N 2.99Å; H167-R169 VanDerWaalsContact C-N 3.27Å; H167-R169 PolarHBondContact O-N 3.3Å; H167-V170 HydrophobicContact CB-CG2 3.87Å; H167-R192 PolarHBondContact O-NH2 2.84Å; H167-S255 VanDerWaalsContact CB-OG 3.31Å; H167-S255 WeakPolarHBondContact CB-OG 3.42Å; H167-S255 PolarHBondContact CE1-O 2.69Å; H167-S255 PolarHBondContact ND1-O 3Å; H167-S255 PolarHBondContact ND1-OG 2.93Å; H167-A256 HydrophobicContact CB-CB 4.26Å
168Q95.2Very high98.4Very high53 Ų5317.1 Ų17.125%0.2488%0.076CC..SBendtrans-62.8-37.9177.7-17960.376.800111.6R192 Q380Q168-R192 VanDerWaalsContact NE2-NE 3.2Å; Q168-R192 PolarHBondContact O-NE 2.66Å; Q168-R192 VanDerWaalsContact O-NE 3.09Å; Q168-Q380 PolarHBondContact OE1-O 3.01Å
169R97.7Very high98.4Very high42 Ų4216.9 Ų16.916%0.1588%0.075CC..  trans-132.8123.1-179.1-69.5-176.8-58.3-82.5-1110.8H167 R192 F252 Q253 S255H167-R169 VanDerWaalsContact C-N 3.27Å; H167-R169 PolarHBondContact O-N 3.3Å; R169-R192 VanDerWaalsContact CA-O 3.27Å; R169-R192 WeakPolarHBondContact CA-O 3.45Å; R169-F252 HydrophobicContact CB-CE1 3.97Å; R169-F252 HydrophobicContact CB-CE2 4.24Å; R169-F252 HydrophobicContact CB-CZ 3.7Å; R169-F252 WeakPolarHBondContact CD-O 3.45Å; R169-F252 HydrophobicContact CG-CE2 4.09Å; R169-F252 HydrophobicContact CG-CZ 4.03Å; R169-F252 PolarHBondContact NE-O 3.42Å; R169-Q253 VanDerWaalsContact CZ-O 3.28Å; R169-Q253 PolarHBondContact NE-O 2.68Å; R169-Q253 PolarHBondContact NH2-O 3.24Å; R169-S255 PolarHBondContact O-N 3.38Å; R169-S255 PolarHBondContact O-OG 3.27Å
170V98.9Very high98.4Very high0 Ų017 Ų170%08%0.076CC..EExtended strand (participates in β ladder)trans-113.3126.9176-179.10000108.3I160 L163 L164 H167 R192 V193 M194 F252 V258I160-V170 HydrophobicContact CG1-CG1 4.22Å; I160-V170 HydrophobicContact CG2-CB 4.28Å; I160-V170 HydrophobicContact CG2-CG1 4.11Å; L163-V170 HydrophobicContact CB-CG2 3.83Å; L163-V170 HydrophobicContact CD1-CG1 4.07Å; L164-V170 HydrophobicContact CD2-CB 4.48Å; L164-V170 HydrophobicContact CD2-CG2 3.87Å; L164-V170 HydrophobicContact CG-CG2 4.12Å; H167-V170 HydrophobicContact CB-CG2 3.87Å; V170-R192 PolarHBondContact N-O 3.19Å; V170-V193 VanDerWaalsContact O-CA 3.3Å; V170-V193 WeakPolarHBondContact O-CA 3.42Å; V170-M194 PolarHBondContact O-N 2.78Å; V170-F252 WeakPolarHBondContact O-CE1 3.48Å; V170-V258 HydrophobicContact CG1-CG2 4.15Å
171L98.9Very high98.4Very high0 Ų017.6 Ų17.60%08%0.08CC..EExtended strand (participates in β ladder)trans-95.8126.4175.1172.564000109.2I173 M194 V196 M245 V248 M249 F252 P254 A256 V257 V258L171-I173 HydrophobicContact CD1-CG1 4.36Å; L171-I173 HydrophobicContact CD2-CD1 3.93Å; L171-I173 HydrophobicContact CD2-CG1 3.99Å; L171-I173 HydrophobicContact CG-CD1 4.29Å; L171-I173 HydrophobicContact CG-CG1 3.84Å; L171-M194 HydrophobicContact CD1-CB 4.1Å; L171-M194 HydrophobicContact CD1-CG 4.12Å; L171-M194 HydrophobicContact CD1-SD 4.4Å; L171-V196 HydrophobicContact CD1-CG2 3.78Å; L171-M245 HydrophobicContact CD2-CE 3.84Å; L171-V248 HydrophobicContact CD1-CG1 3.6Å; L171-V248 HydrophobicContact CD2-CG1 3.83Å; L171-V248 HydrophobicContact CG-CG1 4.39Å; L171-M249 HydrophobicContact CD2-CE 3.5Å; L171-M249 VanDerWaalsContact CD2-CE 3.5Å; L171-M249 HydrophobicContact CD2-SD 3.79Å; L171-F252 HydrophobicContact CB-CD1 4.19Å; L171-F252 HydrophobicContact CB-CE1 4.09Å; L171-F252 HydrophobicContact CD1-CD1 4.38Å; L171-P254 HydrophobicContact CB-CB 3.58Å; L171-P254 HydrophobicContact CB-CG 3.72Å; L171-P254 HydrophobicContact CD2-CG 3.96Å; L171-P254 HydrophobicContact CG-CG 4.49Å; L171-A256 PolarHBondContact N-O 3.24Å; L171-V257 HydrophobicContact CB-CG2 4.44Å; L171-V257 HydrophobicContact CD2-CG2 4.47Å; L171-V257 CarbonylContact O-C 3.5Å; L171-V257 WeakPolarHBondContact O-CA 3.44Å; L171-V258 PolarHBondContact O-N 2.97Å
172Y98.9Very high98.4Very high2 Ų214.8 Ų14.81%0.0087%0.065CC..EExtended strand (participates in β ladder)trans-104.1127.2170.1176.2-110.9000109.7I156 I160 D174 V183 M194 T195 V196 V258 Q260I156-Y172 HydrophobicContact CD1-CE2 4.07Å; I156-Y172 WeakPolarHBondContact CD1-OH 3.38Å; I156-Y172 HydrophobicContact CG2-CD2 3.8Å; I156-Y172 HydrophobicContact CG2-CE2 3.42Å; I156-Y172 VanDerWaalsContact CG2-CE2 3.42Å; I160-Y172 HydrophobicContact CD1-CD2 4.18Å; I160-Y172 HydrophobicContact CD1-CG 4.32Å; Y172-D174 HydrophobicContact CE1-CB 3.68Å; Y172-D174 PolarHBondContact OH-OD2 3.15Å; Y172-V183 HydrophobicContact CD1-CB 4.11Å; Y172-V183 HydrophobicContact CD1-CG1 3.62Å; Y172-V183 HydrophobicContact CD2-CG1 4.24Å; Y172-V183 HydrophobicContact CE1-CB 3.76Å; Y172-V183 HydrophobicContact CE1-CG1 3.76Å; Y172-V183 HydrophobicContact CE1-CG2 4.02Å; Y172-V183 HydrophobicContact CE2-CG1 4.37Å; Y172-V183 HydrophobicContact CE2-CG2 4.42Å; Y172-V183 HydrophobicContact CG-CG1 3.86Å; Y172-M194 PolarHBondContact N-O 3.47Å; Y172-T195 HydrophobicContact CD1-CG2 3.99Å; Y172-V196 PolarHBondContact O-N 3.37Å; Y172-V258 WeakPolarHBondContact CA-O 3.47Å; Y172-V258 HydrophobicContact CD2-CB 4.09Å; Y172-V258 HydrophobicContact CD2-CG1 4.03Å; Y172-V258 HydrophobicContact CE2-CG1 4.34Å; Y172-Q260 HydrophobicContact CE2-CB 3.9Å; Y172-Q260 WeakPolarHBondContact OH-CB 3.33Å
173I98.9Very high98.4Very high0 Ų014.6 Ų14.60%06%0.064CC..EExtended strand (participates in β ladder)trans-122.1131.6178-48.5168.6000107.8L171 V196 F241 M245 V257 V258 L259 Q260 V288L171-I173 HydrophobicContact CD1-CG1 4.36Å; L171-I173 HydrophobicContact CD2-CD1 3.93Å; L171-I173 HydrophobicContact CD2-CG1 3.99Å; L171-I173 HydrophobicContact CG-CD1 4.29Å; L171-I173 HydrophobicContact CG-CG1 3.84Å; I173-V196 CarbonylContact C-O 3.45Å; I173-V196 WeakPolarHBondContact CA-O 3.37Å; I173-F241 HydrophobicContact CG2-CE2 3.98Å; I173-F241 HydrophobicContact CG2-CZ 4.18Å; I173-M245 HydrophobicContact CD1-CE 3.47Å; I173-M245 VanDerWaalsContact CD1-CE 3.47Å; I173-M245 HydrophobicContact CG1-CE 3.62Å; I173-M245 HydrophobicContact CG2-CE 4.36Å; I173-M245 HydrophobicContact CG2-SD 4.27Å; I173-V257 HydrophobicContact CD1-CG1 3.68Å; I173-V257 HydrophobicContact CG1-CG1 4.23Å; I173-V258 PolarHBondContact N-O 3.47Å; I173-L259 HydrophobicContact CB-CD1 3.66Å; I173-L259 HydrophobicContact CG2-CD1 3.68Å; I173-L259 WeakPolarHBondContact O-CA 3.42Å; I173-Q260 PolarHBondContact O-N 3.43Å; I173-V288 HydrophobicContact CD1-CB 4.05Å; I173-V288 HydrophobicContact CD1-CG1 4.18Å; I173-V288 HydrophobicContact CD1-CG2 3.83Å
174D98.9Very high98.4Very high0 Ų015.1 Ų15.10%07%0.066CC..EExtended strand (participates in β ladder)trans-127.4117.5-175.8-161.3-39.9000110.2H140 Y172 D176 G180 V196 F198 Q260H140-D174 IonicContact CE1-OD1 3.17Å; H140-D174 IonicContact CE1-OD2 3.21Å; H140-D174 IonicContact CG-OD2 3.97Å; H140-D174 IonicContact ND1-OD1 3.62Å; H140-D174 IonicContact ND1-OD2 2.7Å; H140-D174 PolarHBondContact ND1-OD2 2.83Å; Y172-D174 HydrophobicContact CE1-CB 3.68Å; Y172-D174 PolarHBondContact OH-OD2 3.15Å; D174-D176 WeakPolarHBondContact OD1-CB 3.17Å; D174-D176 PolarHBondContact OD1-N 3.07Å; D174-G180 VanDerWaalsContact OD2-CA 3.27Å; D174-G180 WeakPolarHBondContact OD2-CA 3.2Å; D174-V196 PolarHBondContact N-O 2.87Å; D174-F198 PolarHBondContact O-N 3.08Å; D174-F198 VanDerWaalsContact O-N 3.15Å; D174-Q260 PolarHBondContact OD1-OE1 2.9Å
175I98.9Very high98.4Very high0 Ų019 Ų190%08%0.084CC..  trans-11311.1178.562.3174.4000112.8Y237 F241 L259 Q260 C261 S265 H281 C284I175-Y237 WeakPolarHBondContact CG2-OH 3.48Å; I175-F241 HydrophobicContact CG2-CD2 4.49Å; I175-F241 HydrophobicContact CG2-CE2 3.82Å; I175-L259 HydrophobicContact CG2-CD1 4.44Å; I175-Q260 WeakPolarHBondContact CG1-O 3.39Å; I175-Q260 PolarHBondContact N-O 2.82Å; I175-C261 HydrophobicContact CD1-CB 4.49Å; I175-S265 WeakPolarHBondContact O-CB 3.35Å; I175-S265 PolarHBondContact O-OG 3.02Å; I175-S265 VanDerWaalsContact O-OG 3.13Å; I175-H281 WeakPolarHBondContact CD1-CE1 3.44Å; I175-H281 WeakPolarHBondContact CD1-NE2 3.37Å; I175-C284 HydrophobicContact CD1-CB 4.04Å; I175-C284 HydrophobicContact CG2-CB 4.38Å
176D98.9Very high98.5Very high1 Ų118.9 Ų18.91%0.0059%0.089CC..SBendtrans-58.7151.4165-157.6-79.6000110.4H140 D174 H178 Q260 G262 D264 G301H140-D176 VanDerWaalsContact CE1-CB 3.45Å; H140-D176 WeakPolarHBondContact CE1-CB 3.35Å; H140-D176 VanDerWaalsContact CE1-CG 3.45Å; H140-D176 IonicContact CE1-OD1 2.93Å; H140-D176 IonicContact CE1-OD2 3.97Å; H140-D176 IonicContact NE2-OD1 2.69Å; H140-D176 IonicContact NE2-OD2 3.96Å; D174-D176 WeakPolarHBondContact OD1-CB 3.17Å; D174-D176 PolarHBondContact OD1-N 3.07Å; D176-H178 PolarHBondContact O-N 3.3Å; D176-H178 WeakPolarHBondContact OD1-CB 3.49Å; D176-H178 IonicContact OD1-CG 3.68Å; D176-H178 PolarHBondContact OD1-N 3.45Å; D176-H178 IonicContact OD1-ND1 3.24Å; D176-H178 PolarHBondContact OD1-ND1 3.34Å; D176-Q260 PolarHBondContact OD2-NE2 3.4Å; D176-G262 WeakPolarHBondContact OD2-CA 3.42Å; D176-D264 VanDerWaalsContact CG-OD1 3.26Å; D176-D264 VanDerWaalsContact OD1-OD1 3.08Å; D176-G301 WeakPolarHBondContact OD2-CA 3.47Å; D176-G301 PolarHBondContact OD2-N 3.11Å
177I98.8Very high98.5Very high0 Ų015 Ų150%07%0.074CC..SBendtrans-68.8-24.2176.4-161.2175.7000112.1H199 K200 Y204 D264 F274I177-H199 CarbonylContact O-C 3.57Å; I177-H199 WeakPolarHBondContact O-CA 3.34Å; I177-H199 VanDerWaalsContact O-CB 3.25Å; I177-H199 WeakPolarHBondContact O-CB 3.48Å; I177-K200 HydrophobicContact CD1-CB 4.47Å; I177-K200 HydrophobicContact CG1-CB 4.02Å; I177-K200 PolarHBondContact O-N 3.5Å; I177-Y204 HydrophobicContact CG1-CE1 4.46Å; I177-Y204 HydrophobicContact CG2-CE1 4.2Å; I177-D264 HydrophobicContact CG2-CB 3.97Å; I177-D264 VanDerWaalsContact CG2-CG 3.42Å; I177-D264 WeakPolarHBondContact CG2-OD1 3.19Å; I177-D264 PolarHBondContact N-OD1 3.44Å; I177-F274 HydrophobicContact CD1-CB 4.09Å; I177-F274 HydrophobicContact CD1-CD1 3.7Å; I177-F274 HydrophobicContact CD1-CD2 4.21Å; I177-F274 HydrophobicContact CD1-CE1 4.16Å; I177-F274 HydrophobicContact CD1-CG 3.72Å; I177-F274 HydrophobicContact CG1-CD1 3.97Å; I177-F274 HydrophobicContact CG1-CD2 3.92Å; I177-F274 HydrophobicContact CG1-CE1 3.99Å; I177-F274 HydrophobicContact CG1-CE2 3.92Å; I177-F274 HydrophobicContact CG1-CG 3.93Å; I177-F274 HydrophobicContact CG1-CZ 3.94Å
178H98.9Very high98.6Very high13 Ų1317.1 Ų17.16%0.068%0.082CC..SBendtrans-88.9149.6177.1-52.188.3000111H141 D176 G180 Y204 F205 D264H141-H178 WeakPolarHBondContact NE2-CB 3.32Å; H141-H178 AromaticContact NE2-CG 3.9Å; D176-H178 PolarHBondContact O-N 3.3Å; D176-H178 WeakPolarHBondContact OD1-CB 3.49Å; D176-H178 IonicContact OD1-CG 3.68Å; D176-H178 PolarHBondContact OD1-N 3.45Å; D176-H178 IonicContact OD1-ND1 3.24Å; D176-H178 PolarHBondContact OD1-ND1 3.34Å; H178-G180 PolarHBondContact O-N 3.44Å; H178-Y204 AromaticContact CD2-CE1 3.46Å; H178-Y204 VanDerWaalsContact CD2-CE1 3.46Å; H178-Y204 WeakPolarHBondContact CD2-CE1 3.41Å; H178-Y204 AromaticContact NE2-CE1 3.54Å; H178-Y204 AromaticContact NE2-CZ 3.81Å; H178-F205 PolarHBondContact CD2-O 3.35Å; H178-D264 IonicContact CE1-OD2 2.62Å; H178-D264 PolarHBondContact CE1-OD2 3.39Å; H178-D264 IonicContact ND1-OD2 2.73Å; H178-D264 PolarHBondContact ND1-OD2 2.95Å; H178-D264 VanDerWaalsContact ND1-OD2 3.08Å
179H98.9Very high98.8Very high2 Ų219.1 Ų19.11%0.00910%0.098CC..  trans-64.5130.2173.7174.5-133.3000110.7H141 D181 E184 H199 P206 T208 G209 N225H141-H179 PolarHBondContact CE1-O 3.45Å; H141-H179 VanDerWaalsContact CE1-O 3.24Å; H179-D181 PolarHBondContact O-N 3.06Å; H179-E184 IonicContact CE1-OE1 3.82Å; H179-E184 PolarHBondContact CE1-OE1 3.22Å; H179-E184 IonicContact CE1-OE2 3.27Å; H179-E184 IonicContact NE2-OE1 2.64Å; H179-E184 IonicContact NE2-OE2 3.85Å; H179-E184 PolarHBondContact NE2-OE2 3.12Å; H179-H199 HydrophobicContact CB-CB 4.3Å; H179-H199 AromaticContact CD2-CE1 3.44Å; H179-H199 PolarHBondContact CD2-CE1 3Å; H179-H199 VanDerWaalsContact CD2-CE1 3.44Å; H179-H199 AromaticContact CD2-ND1 3.62Å; H179-H199 AromaticContact CG-CE1 3.8Å; H179-H199 AromaticContact CG-ND1 3.98Å; H179-P206 HydrophobicContact CB-CG 3.98Å; H179-T208 PolarHBondContact ND1-OG1 3.12Å; H179-G209 PolarHBondContact ND1-N 3.44Å; H179-N225 PolarHBondContact CD2-OD1 3.41Å; H179-N225 PolarHBondContact NE2-OD1 2.99Å
180G98.8Very high98.8Very high2 Ų218.9 Ų18.92%0.02110%0.101CC..  trans-70.353176.400000114.7H140 D174 H178 G182 V183 E184H140-G180 WeakPolarHBondContact ND1-CA 3.43Å; D174-G180 VanDerWaalsContact OD2-CA 3.27Å; D174-G180 WeakPolarHBondContact OD2-CA 3.2Å; H178-G180 PolarHBondContact O-N 3.44Å; G180-G182 PolarHBondContact O-N 2.73Å; G180-V183 PolarHBondContact O-N 3Å; G180-E184 PolarHBondContact O-N 3.35Å
181D98.8Very high98.7Very high14 Ų1421.9 Ų21.98%0.07512%0.117CC..Hα-helixtrans-66.5-32-165.469.2-21.6000114.7H141 K143 H179 E185 P206 T208H141-D181 WeakPolarHBondContact CA-OD1 3.47Å; H141-D181 IonicContact CE1-OD1 3.44Å; H141-D181 IonicContact CG-OD1 3.93Å; H141-D181 IonicContact ND1-OD1 3.57Å; H141-D181 PolarHBondContact ND1-OD1 2.88Å; K143-D181 WeakPolarHBondContact CE-OD2 3.19Å; K143-D181 VanDerWaalsContact NZ-C 3.31Å; K143-D181 PolarHBondContact NZ-O 2.92Å; K143-D181 IonicContact NZ-OD1 2.82Å; K143-D181 PolarHBondContact NZ-OD1 3.4Å; K143-D181 IonicContact NZ-OD2 3.78Å; K143-D181 PolarHBondContact NZ-OD2 2.87Å; H179-D181 PolarHBondContact O-N 3.06Å; D181-E185 VanDerWaalsContact O-CB 3.24Å; D181-E185 WeakPolarHBondContact O-CB 3.12Å; D181-E185 PolarHBondContact O-N 3.17Å; D181-P206 HydrophobicContact CB-CG 3.82Å; D181-P206 VanDerWaalsContact OD2-CB 3.29Å; D181-P206 WeakPolarHBondContact OD2-CB 3.17Å; D181-P206 WeakPolarHBondContact OD2-CG 3.3Å; D181-T208 WeakPolarHBondContact CB-OG1 3.48Å
182G98.8Very high98.6Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-70.4-36.9176.700000112.6H140 G180 A186H140-G182 WeakPolarHBondContact O-CA 3.21Å; H140-G182 PolarHBondContact O-N 2.94Å; G180-G182 PolarHBondContact O-N 2.73Å; G182-A186 WeakPolarHBondContact O-CB 3.38Å; G182-A186 PolarHBondContact O-N 3.37Å
183V98.9Very high98.6Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-73.6-42.8175.5-171.20000110.5H140 I156 V157 I160 Y172 G180 A186 F187 T195H140-V183 HydrophobicContact CB-CG2 3.99Å; H140-V183 PolarHBondContact O-N 3Å; I156-V183 HydrophobicContact CB-CG2 3.91Å; I156-V183 HydrophobicContact CD1-CG2 3.86Å; I156-V183 HydrophobicContact CG1-CG2 4.42Å; I156-V183 HydrophobicContact CG2-CG1 4.31Å; I156-V183 HydrophobicContact CG2-CG2 3.93Å; V157-V183 HydrophobicContact CG2-CG1 4.49Å; V157-V183 HydrophobicContact CG2-CG2 4.4Å; I160-V183 HydrophobicContact CD1-CG1 3.93Å; Y172-V183 HydrophobicContact CD1-CB 4.11Å; Y172-V183 HydrophobicContact CD1-CG1 3.62Å; Y172-V183 HydrophobicContact CD2-CG1 4.24Å; Y172-V183 HydrophobicContact CE1-CB 3.76Å; Y172-V183 HydrophobicContact CE1-CG1 3.76Å; Y172-V183 HydrophobicContact CE1-CG2 4.02Å; Y172-V183 HydrophobicContact CE2-CG1 4.37Å; Y172-V183 HydrophobicContact CE2-CG2 4.42Å; Y172-V183 HydrophobicContact CG-CG1 3.86Å; G180-V183 PolarHBondContact O-N 3Å; V183-A186 PolarHBondContact O-N 3.37Å; V183-F187 HydrophobicContact CG1-CD2 4.07Å; V183-F187 HydrophobicContact CG1-CE2 4.22Å; V183-F187 WeakPolarHBondContact O-CD2 3.38Å; V183-F187 PolarHBondContact O-N 3.46Å; V183-T195 HydrophobicContact CG1-CG2 4.24Å
184E98.9Very high98.6Very high11 Ų1124.1 Ų24.15%0.05113%0.125CC..Hα-helixtrans-58.8-48174.6176.3165.3115.700111.7H179 G180 A186 F187 Y188 A223 N225H179-E184 IonicContact CE1-OE1 3.82Å; H179-E184 PolarHBondContact CE1-OE1 3.22Å; H179-E184 IonicContact CE1-OE2 3.27Å; H179-E184 IonicContact NE2-OE1 2.64Å; H179-E184 IonicContact NE2-OE2 3.85Å; H179-E184 PolarHBondContact NE2-OE2 3.12Å; G180-E184 PolarHBondContact O-N 3.35Å; E184-A186 PolarHBondContact O-N 3.31Å; E184-F187 CarbonylContact O-C 3.51Å; E184-F187 PolarHBondContact O-N 3.2Å; E184-Y188 HydrophobicContact CG-CD2 3.64Å; E184-Y188 HydrophobicContact CG-CE2 3.93Å; E184-Y188 WeakPolarHBondContact O-CA 3.47Å; E184-Y188 WeakPolarHBondContact O-CB 3.46Å; E184-Y188 PolarHBondContact O-N 3.33Å; E184-A223 HydrophobicContact CG-CB 4.3Å; E184-N225 PolarHBondContact OE1-ND2 2.89Å; E184-N225 PolarHBondContact OE2-ND2 2.99Å; E184-N225 PolarHBondContact OE2-OD1 2.84Å
185E98.8Very high98.6Very high105 Ų10524.4 Ų24.449%0.49113%0.127SC..Hα-helixtrans-60-44.3178.6-177.8-178.693.200112.1D181 F187 Y188D181-E185 VanDerWaalsContact O-CB 3.24Å; D181-E185 WeakPolarHBondContact O-CB 3.12Å; D181-E185 PolarHBondContact O-N 3.17Å; E185-F187 PolarHBondContact O-N 3.04Å; E185-Y188 PolarHBondContact O-N 3.19Å
186A98.7Very high98.6Very high31 Ų3124.4 Ų24.426%0.25613%0.128SC..Hα-helixtrans-59.6-32.3-178.400000112.9Y67 V157 G182 V183 E184Y67-A186 HydrophobicContact CE2-CB 3.7Å; V157-A186 HydrophobicContact CB-CB 4.42Å; V157-A186 HydrophobicContact CG1-CB 3.91Å; V157-A186 HydrophobicContact CG2-CB 3.53Å; G182-A186 WeakPolarHBondContact O-CB 3.38Å; G182-A186 PolarHBondContact O-N 3.37Å; V183-A186 PolarHBondContact O-N 3.37Å; E184-A186 PolarHBondContact O-N 3.31Å
187F98.8Very high98.6Very high16 Ų1624.6 Ų24.67%0.0713%0.129CC..Hα-helixtrans-114.39.1-176.1-60.8-65.4000114.3V157 I160 L161 L164 V183 E184 E185 T189 T190 V193V157-F187 HydrophobicContact CB-CE2 4.35Å; V157-F187 HydrophobicContact CG1-CE2 4.15Å; V157-F187 HydrophobicContact CG1-CZ 3.97Å; V157-F187 HydrophobicContact CG2-CE2 4.06Å; I160-F187 HydrophobicContact CB-CE2 3.96Å; I160-F187 HydrophobicContact CB-CZ 3.79Å; I160-F187 HydrophobicContact CD1-CD2 4.49Å; I160-F187 HydrophobicContact CD1-CE2 3.82Å; I160-F187 HydrophobicContact CG2-CE1 4.04Å; I160-F187 HydrophobicContact CG2-CE2 3.73Å; I160-F187 HydrophobicContact CG2-CZ 3.41Å; I160-F187 VanDerWaalsContact CG2-CZ 3.41Å; L161-F187 HydrophobicContact CD2-CE1 4.19Å; L161-F187 HydrophobicContact CD2-CZ 4.48Å; L161-F187 HydrophobicContact CG-CZ 4.41Å; L164-F187 HydrophobicContact CD1-CE1 4.08Å; V183-F187 HydrophobicContact CG1-CD2 4.07Å; V183-F187 HydrophobicContact CG1-CE2 4.22Å; V183-F187 WeakPolarHBondContact O-CD2 3.38Å; V183-F187 PolarHBondContact O-N 3.46Å; E184-F187 CarbonylContact O-C 3.51Å; E184-F187 PolarHBondContact O-N 3.2Å; E185-F187 PolarHBondContact O-N 3.04Å; F187-T189 PolarHBondContact O-N 3.12Å; F187-T190 HydrophobicContact CB-CG2 3.81Å; F187-T190 HydrophobicContact CD1-CG2 3.87Å; F187-T190 HydrophobicContact CG-CG2 4.32Å; F187-T190 VanDerWaalsContact O-CG2 3.27Å; F187-T190 WeakPolarHBondContact O-CG2 3.49Å; F187-T190 PolarHBondContact O-N 2.8Å; F187-T190 VanDerWaalsContact O-N 3.09Å; F187-V193 HydrophobicContact CB-CB 3.92Å; F187-V193 HydrophobicContact CB-CG1 4.11Å; F187-V193 HydrophobicContact CD1-CB 4.02Å; F187-V193 HydrophobicContact CD1-CG1 4.46Å; F187-V193 HydrophobicContact CD1-CG2 3.68Å; F187-V193 HydrophobicContact CD2-CB 4.3Å; F187-V193 HydrophobicContact CD2-CG1 3.86Å; F187-V193 HydrophobicContact CD2-CG2 4.43Å; F187-V193 HydrophobicContact CE1-CG2 3.92Å; F187-V193 HydrophobicContact CE2-CG1 4.42Å; F187-V193 HydrophobicContact CG-CB 3.81Å; F187-V193 HydrophobicContact CG-CG1 3.88Å; F187-V193 HydrophobicContact CG-CG2 3.96Å; F187-V193 HydrophobicContact CZ-CG2 4.4Å
188Y98.6Very high98.6Very high67 Ų6724.6 Ų24.626%0.26313%0.129SC..THydrogen-bonded Turntrans-57.1-20.8-172.2-153.8-109.7000115.3E184 E185 G215 A216 A223E184-Y188 HydrophobicContact CG-CD2 3.64Å; E184-Y188 HydrophobicContact CG-CE2 3.93Å; E184-Y188 WeakPolarHBondContact O-CA 3.47Å; E184-Y188 WeakPolarHBondContact O-CB 3.46Å; E184-Y188 PolarHBondContact O-N 3.33Å; E185-Y188 PolarHBondContact O-N 3.19Å; Y188-G215 VanDerWaalsContact CZ-CA 3.43Å; Y188-G215 PolarHBondContact OH-N 3.39Å; Y188-A216 HydrophobicContact CD1-CB 3.81Å; Y188-A216 HydrophobicContact CE1-CB 3.83Å; Y188-A216 PolarHBondContact O-N 2.97Å; Y188-A223 HydrophobicContact CE2-CB 4.36Å
189T98.3Very high98.6Very high96 Ų9624 Ų2459%0.58913%0.126SC*.THydrogen-bonded Turntrans-113.97.9-175.1610000115F187 A216 G219F187-T189 PolarHBondContact O-N 3.12Å; T189-A216 WeakPolarHBondContact CA-O 3.41Å; T189-A216 HydrophobicContact CG2-CB 4.41Å; T189-G219 PolarHBondContact O-N 2.84Å
190T97.8Very high98.6Very high36 Ų3625.1 Ų25.122%0.22113%0.131CC..  trans-116.9148.6178.7-175.60000112.2F187 R192 V193 G219F187-T190 HydrophobicContact CB-CG2 3.81Å; F187-T190 HydrophobicContact CD1-CG2 3.87Å; F187-T190 HydrophobicContact CG-CG2 4.32Å; F187-T190 VanDerWaalsContact O-CG2 3.27Å; F187-T190 WeakPolarHBondContact O-CG2 3.49Å; F187-T190 PolarHBondContact O-N 2.8Å; F187-T190 VanDerWaalsContact O-N 3.09Å; T190-R192 PolarHBondContact OG1-N 3.01Å; T190-V193 HydrophobicContact CG2-CB 4.4Å; T190-G219 WeakPolarHBondContact O-CA 3.44Å
191D97Very high98.6Very high63 Ų6328.7 Ų28.734%0.33714%0.144SC..SBendtrans-94.8-3.4173.157-13.5000112.9Y222 F252D191-Y222 HydrophobicContact CB-CD1 4.2Å; D191-Y222 HydrophobicContact CB-CD2 4.01Å; D191-Y222 HydrophobicContact CB-CE1 3.82Å; D191-Y222 HydrophobicContact CB-CE2 3.64Å; D191-Y222 HydrophobicContact CB-CG 4.29Å; D191-Y222 WeakPolarHBondContact O-CE1 3.49Å; D191-F252 WeakPolarHBondContact O-CE2 3.44Å
192R98.1Very high98.3Very high48 Ų4830 Ų3018%0.18116%0.161CC..SBendtrans-80.3-18.5178.5-66.3-166.262.2-168.6-6113.7L164 H167 Q168 R169 V170 T190L164-R192 HydrophobicContact CD2-CB 3.86Å; L164-R192 PolarHBondContact O-NH2 2.84Å; H167-R192 PolarHBondContact O-NH2 2.84Å; Q168-R192 VanDerWaalsContact NE2-NE 3.2Å; Q168-R192 PolarHBondContact O-NE 2.66Å; Q168-R192 VanDerWaalsContact O-NE 3.09Å; R169-R192 VanDerWaalsContact CA-O 3.27Å; R169-R192 WeakPolarHBondContact CA-O 3.45Å; V170-R192 PolarHBondContact N-O 3.19Å; T190-R192 PolarHBondContact OG1-N 3.01Å
193V98.8Very high98.1Very high1 Ų139.9 Ų39.91%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-127128.4177.3-177.40000107.6I160 L164 V170 F187 T190 T195I160-V193 HydrophobicContact CG2-CG1 4.19Å; I160-V193 HydrophobicContact CG2-CG2 3.62Å; L164-V193 HydrophobicContact CD1-CG2 3.73Å; L164-V193 HydrophobicContact CD2-CG2 3.97Å; L164-V193 HydrophobicContact CG-CG2 4.21Å; V170-V193 VanDerWaalsContact O-CA 3.3Å; V170-V193 WeakPolarHBondContact O-CA 3.42Å; F187-V193 HydrophobicContact CB-CB 3.92Å; F187-V193 HydrophobicContact CB-CG1 4.11Å; F187-V193 HydrophobicContact CD1-CB 4.02Å; F187-V193 HydrophobicContact CD1-CG1 4.46Å; F187-V193 HydrophobicContact CD1-CG2 3.68Å; F187-V193 HydrophobicContact CD2-CB 4.3Å; F187-V193 HydrophobicContact CD2-CG1 3.86Å; F187-V193 HydrophobicContact CD2-CG2 4.43Å; F187-V193 HydrophobicContact CE1-CG2 3.92Å; F187-V193 HydrophobicContact CE2-CG1 4.42Å; F187-V193 HydrophobicContact CG-CB 3.81Å; F187-V193 HydrophobicContact CG-CG1 3.88Å; F187-V193 HydrophobicContact CG-CG2 3.96Å; F187-V193 HydrophobicContact CZ-CG2 4.4Å; T190-V193 HydrophobicContact CG2-CB 4.4Å; V193-T195 HydrophobicContact CG1-CG2 4.4Å
194M98.9Very high98.1Very high0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-105.2127169.3177.2173.6-78.300108.6V170 L171 Y172 V196 Y222 V224 V248 F252 L370 L373V170-M194 PolarHBondContact O-N 2.78Å; L171-M194 HydrophobicContact CD1-CB 4.1Å; L171-M194 HydrophobicContact CD1-CG 4.12Å; L171-M194 HydrophobicContact CD1-SD 4.4Å; Y172-M194 PolarHBondContact N-O 3.47Å; M194-V196 HydrophobicContact CG-CG2 4.02Å; M194-V196 HydrophobicContact SD-CG2 4.29Å; M194-Y222 CarbonylContact C-O 3.58Å; M194-Y222 WeakPolarHBondContact CA-O 3.37Å; M194-Y222 HydrophobicContact CB-CD1 4.5Å; M194-Y222 HydrophobicContact CE-CD1 4Å; M194-Y222 WeakPolarHBondContact CG-O 3.24Å; M194-V224 HydrophobicContact CG-CG2 4.45Å; M194-V224 HydrophobicContact SD-CG2 4.27Å; M194-V248 HydrophobicContact SD-CB 4.46Å; M194-V248 HydrophobicContact SD-CG1 3.67Å; M194-V248 HydrophobicContact SD-CG2 4.26Å; M194-F252 HydrophobicContact CB-CD1 3.7Å; M194-F252 HydrophobicContact CB-CD2 3.85Å; M194-F252 HydrophobicContact CB-CE1 3.55Å; M194-F252 HydrophobicContact CB-CE2 3.72Å; M194-F252 HydrophobicContact CB-CG 3.85Å; M194-F252 HydrophobicContact CB-CZ 3.56Å; M194-F252 HydrophobicContact CE-CB 3.83Å; M194-F252 HydrophobicContact CE-CD2 3.79Å; M194-F252 HydrophobicContact CE-CG 3.9Å; M194-F252 HydrophobicContact CG-CG 4.49Å; M194-F252 HydrophobicContact SD-CB 3.79Å; M194-F252 HydrophobicContact SD-CD1 4.27Å; M194-F252 HydrophobicContact SD-CD2 4.28Å; M194-F252 HydrophobicContact SD-CG 3.86Å; M194-L370 HydrophobicContact CE-CD2 4.19Å; M194-L370 HydrophobicContact SD-CD2 4.4Å; M194-L373 HydrophobicContact CE-CD1 4.31Å; M194-L373 HydrophobicContact CE-CD2 3.46Å; M194-L373 VanDerWaalsContact CE-CD2 3.46Å
195T98.9Very high98Very high6 Ų645.5 Ų45.54%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-100.8128.417458.10000109.5Y172 V183 V193 Y222 V224Y172-T195 HydrophobicContact CD1-CG2 3.99Å; V183-T195 HydrophobicContact CG1-CG2 4.24Å; V193-T195 HydrophobicContact CG1-CG2 4.4Å; T195-Y222 PolarHBondContact N-O 3.26Å; T195-V224 PolarHBondContact O-N 3.11Å
196V98.9Very high98Very high1 Ų142.1 Ų42.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-126.7116.6176.4-1700000108.9L171 Y172 I173 D174 M194 F198 V224 M245 V248L171-V196 HydrophobicContact CD1-CG2 3.78Å; Y172-V196 PolarHBondContact O-N 3.37Å; I173-V196 CarbonylContact C-O 3.45Å; I173-V196 WeakPolarHBondContact CA-O 3.37Å; D174-V196 PolarHBondContact N-O 2.87Å; M194-V196 HydrophobicContact CG-CG2 4.02Å; M194-V196 HydrophobicContact SD-CG2 4.29Å; V196-F198 HydrophobicContact CG1-CD2 4.46Å; V196-F198 HydrophobicContact CG1-CE2 3.71Å; V196-F198 HydrophobicContact CG1-CZ 4.16Å; V196-V224 VanDerWaalsContact CA-O 3.31Å; V196-V224 WeakPolarHBondContact CA-O 3.24Å; V196-V224 HydrophobicContact CB-CB 4.38Å; V196-V224 HydrophobicContact CG1-CB 4.11Å; V196-V224 HydrophobicContact CG1-CG1 4.04Å; V196-V224 HydrophobicContact CG2-CB 4.08Å; V196-V224 HydrophobicContact CG2-CG2 4.37Å; V196-M245 HydrophobicContact CB-SD 4.3Å; V196-M245 HydrophobicContact CG1-SD 3.78Å; V196-V248 HydrophobicContact CG2-CG1 4.19Å; V196-V248 HydrophobicContact CG2-CG2 4.06Å
197S98.9Very high97.9Very high4 Ų443.1 Ų43.13%0.02823%0.231CC..EExtended strand (participates in β ladder)trans-126.6136.7-177.5-177.30000112H199 V224 Y226S197-H199 PolarHBondContact OG-ND1 3.18Å; S197-V224 PolarHBondContact N-O 3.48Å; S197-Y226 PolarHBondContact O-N 2.9Å
198F98.9Very high97.9Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-119.5101.7177.4-62.5-98.4000109.6D174 V196 Y226 L228 Y237 I240 F241 V244 M245D174-F198 PolarHBondContact O-N 3.08Å; D174-F198 VanDerWaalsContact O-N 3.15Å; V196-F198 HydrophobicContact CG1-CD2 4.46Å; V196-F198 HydrophobicContact CG1-CE2 3.71Å; V196-F198 HydrophobicContact CG1-CZ 4.16Å; F198-Y226 AromaticContact CD1-CD2 3.98Å; F198-Y226 HydrophobicContact CD1-CD2 3.98Å; F198-Y226 AromaticContact CD1-CG 3.81Å; F198-Y226 HydrophobicContact CD1-CG 3.81Å; F198-Y226 AromaticContact CE1-CD2 3.72Å; F198-Y226 HydrophobicContact CE1-CD2 3.72Å; F198-Y226 HydrophobicContact CE1-CG 4.05Å; F198-L228 HydrophobicContact CB-CD1 4.47Å; F198-Y237 HydrophobicContact CB-CE2 4.26Å; F198-Y237 VanDerWaalsContact CB-OH 3.23Å; F198-Y237 WeakPolarHBondContact CB-OH 3.49Å; F198-I240 HydrophobicContact CD1-CD1 4.1Å; F198-I240 HydrophobicContact CE1-CD1 4.36Å; F198-F241 HydrophobicContact CD2-CD2 4.01Å; F198-F241 HydrophobicContact CD2-CE2 4.19Å; F198-F241 HydrophobicContact CE1-CD2 4.27Å; F198-F241 AromaticContact CE2-CD2 3.56Å; F198-F241 HydrophobicContact CE2-CD2 3.56Å; F198-F241 AromaticContact CE2-CE2 3.74Å; F198-F241 HydrophobicContact CE2-CE2 3.74Å; F198-F241 AromaticContact CZ-CD2 3.71Å; F198-F241 HydrophobicContact CZ-CD2 3.71Å; F198-F241 HydrophobicContact CZ-CE2 4.29Å; F198-F241 HydrophobicContact CZ-CG 4.49Å; F198-V244 HydrophobicContact CE1-CB 4.46Å; F198-V244 HydrophobicContact CE1-CG1 4.45Å; F198-V244 HydrophobicContact CZ-CB 4.2Å; F198-V244 HydrophobicContact CZ-CG1 3.97Å; F198-M245 HydrophobicContact CE2-CG 4.47Å; F198-M245 HydrophobicContact CE2-SD 3.92Å; F198-M245 HydrophobicContact CZ-CG 4.37Å; F198-M245 HydrophobicContact CZ-SD 4.09Å
199H98.9Very high97.9Very high0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-142.3161-164.851.2-97.8000112.1I177 H179 S197 G209 N225 Y226 L228I177-H199 CarbonylContact O-C 3.57Å; I177-H199 WeakPolarHBondContact O-CA 3.34Å; I177-H199 VanDerWaalsContact O-CB 3.25Å; I177-H199 WeakPolarHBondContact O-CB 3.48Å; H179-H199 HydrophobicContact CB-CB 4.3Å; H179-H199 AromaticContact CD2-CE1 3.44Å; H179-H199 PolarHBondContact CD2-CE1 3Å; H179-H199 VanDerWaalsContact CD2-CE1 3.44Å; H179-H199 AromaticContact CD2-ND1 3.62Å; H179-H199 AromaticContact CG-CE1 3.8Å; H179-H199 AromaticContact CG-ND1 3.98Å; S197-H199 PolarHBondContact OG-ND1 3.18Å; H199-G209 PolarHBondContact NE2-O 3.12Å; H199-N225 PolarHBondContact CE1-OD1 3.42Å; H199-Y226 PolarHBondContact N-O 3.28Å; H199-L228 WeakPolarHBondContact O-CB 3.5Å; H199-L228 PolarHBondContact O-N 3.38Å
200K98.7Very high97.8Very high27 Ų2738.4 Ų38.412%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-67.6135.5169.3171.2167.8164.357.50110.1I177 Y204 L228 D230 C273 F274I177-K200 HydrophobicContact CD1-CB 4.47Å; I177-K200 HydrophobicContact CG1-CB 4.02Å; I177-K200 PolarHBondContact O-N 3.5Å; K200-Y204 HydrophobicContact CB-CD1 3.81Å; K200-Y204 HydrophobicContact CB-CE1 4.08Å; K200-Y204 HydrophobicContact CB-CG 4.28Å; K200-Y204 HydrophobicContact CD-CD1 3.9Å; K200-Y204 HydrophobicContact CD-CD2 3.61Å; K200-Y204 HydrophobicContact CD-CE1 4.12Å; K200-Y204 HydrophobicContact CD-CE2 3.84Å; K200-Y204 HydrophobicContact CD-CG 3.62Å; K200-Y204 HydrophobicContact CG-CD1 3.81Å; K200-Y204 HydrophobicContact CG-CD2 4.27Å; K200-Y204 HydrophobicContact CG-CE1 4.35Å; K200-Y204 HydrophobicContact CG-CG 3.75Å; K200-L228 WeakPolarHBondContact CA-O 3.5Å; K200-D230 WeakPolarHBondContact CD-OD1 3.4Å; K200-D230 VanDerWaalsContact CE-OD1 3.23Å; K200-D230 WeakPolarHBondContact CE-OD1 3.36Å; K200-D230 IonicContact NZ-OD1 3.58Å; K200-D230 PolarHBondContact NZ-OD1 2.93Å; K200-C273 WeakPolarHBondContact CD-SG 3.13Å; K200-C273 VanDerWaalsContact CE-SG 3.54Å; K200-F274 HydrophobicContact CB-CE1 3.99Å; K200-F274 HydrophobicContact CB-CZ 4.32Å
201Y98.3Very high97.8Very high77 Ų7737.8 Ų37.830%0.30221%0.205SC..  trans-133.1143.9177.3-173.2-101.1000112.2D210 P227 L228Y201-D210 HydrophobicContact CE1-CB 4.33Å; Y201-D210 HydrophobicContact CE2-CB 4.18Å; Y201-D210 WeakPolarHBondContact OH-CB 3.32Å; Y201-D210 PolarHBondContact OH-OD2 2.86Å; Y201-P227 HydrophobicContact CD1-CB 3.95Å; Y201-P227 HydrophobicContact CG-CB 3.77Å; Y201-L228 PolarHBondContact N-O 3.24Å
202G93.3Very high97.9Very high41 Ų4143.3 Ų43.342%0.42322%0.221SC..SBendtrans98.9113-175.200000112.6Y204G202-Y204 PolarHBondContact O-N 3.43Å
203E94Very high97.9Very high207 Ų20743.2 Ų43.297%0.96722%0.224SC*.SBendtrans47.944.6-176-62.7-177.7-177.400113
204Y97.6Very high97.9Very high47 Ų4744.7 Ų44.718%0.18423%0.232CC..  trans-139.7149.8-178.7-153-114.5000110.7I177 H178 K200 G202 G207 L271I177-Y204 HydrophobicContact CG1-CE1 4.46Å; I177-Y204 HydrophobicContact CG2-CE1 4.2Å; H178-Y204 AromaticContact CD2-CE1 3.46Å; H178-Y204 VanDerWaalsContact CD2-CE1 3.46Å; H178-Y204 WeakPolarHBondContact CD2-CE1 3.41Å; H178-Y204 AromaticContact NE2-CE1 3.54Å; H178-Y204 AromaticContact NE2-CZ 3.81Å; K200-Y204 HydrophobicContact CB-CD1 3.81Å; K200-Y204 HydrophobicContact CB-CE1 4.08Å; K200-Y204 HydrophobicContact CB-CG 4.28Å; K200-Y204 HydrophobicContact CD-CD1 3.9Å; K200-Y204 HydrophobicContact CD-CD2 3.61Å; K200-Y204 HydrophobicContact CD-CE1 4.12Å; K200-Y204 HydrophobicContact CD-CE2 3.84Å; K200-Y204 HydrophobicContact CD-CG 3.62Å; K200-Y204 HydrophobicContact CG-CD1 3.81Å; K200-Y204 HydrophobicContact CG-CD2 4.27Å; K200-Y204 HydrophobicContact CG-CE1 4.35Å; K200-Y204 HydrophobicContact CG-CG 3.75Å; G202-Y204 PolarHBondContact O-N 3.43Å; Y204-G207 WeakPolarHBondContact O-CA 3.41Å; Y204-G207 PolarHBondContact O-N 2.96Å; Y204-L271 PolarHBondContact OH-O 2.79Å
205F97.9Very high97.8Very high83 Ų8345.2 Ų45.236%0.36424%0.237SC..THydrogen-bonded Turntrans-66.9142.2174.4-176.5-90.5000109.9H141 S148 H178H141-F205 AromaticContact CD2-CE1 3.68Å; H141-F205 AromaticContact CE1-CE1 3.63Å; H141-F205 AromaticContact CG-CE1 3.86Å; H141-F205 AromaticContact ND1-CE1 3.83Å; H141-F205 AromaticContact NE2-CD1 3.9Å; H141-F205 AromaticContact NE2-CE1 3.48Å; H141-F205 WeakPolarHBondContact NE2-CE1 3.18Å; S148-F205 WeakPolarHBondContact OG-CZ 3.4Å; H178-F205 PolarHBondContact CD2-O 3.35Å
206P98Very high97.8Very high33 Ų3346.8 Ų46.821%0.21425%0.251CS..THydrogen-bonded Turncis-88.71.40.134.3-35.3000114.8H179 D181H179-P206 HydrophobicContact CB-CG 3.98Å; D181-P206 HydrophobicContact CB-CG 3.82Å; D181-P206 VanDerWaalsContact OD2-CB 3.29Å; D181-P206 WeakPolarHBondContact OD2-CB 3.17Å; D181-P206 WeakPolarHBondContact OD2-CG 3.3Å
207G97.4Very high97.7Very high53 Ų5350 Ų5055%0.54628%0.284SS..  trans86.25.7-179.300000115.3Y204Y204-G207 WeakPolarHBondContact O-CA 3.41Å; Y204-G207 PolarHBondContact O-N 2.96Å
208T98.3Very high97.6Very high58 Ų5857.3 Ų57.336%0.35632%0.316SS..  trans-111.3177.9173.455.40000110.7H179 D181H179-T208 PolarHBondContact ND1-OG1 3.12Å; D181-T208 WeakPolarHBondContact CB-OG1 3.48Å
209G98Very high97.5Very high0 Ų057.4 Ų57.40%032%0.316CS..  trans9330.1178.400000113.2H179 H199 D213H179-G209 PolarHBondContact ND1-N 3.44Å; H199-G209 PolarHBondContact NE2-O 3.12Å; G209-D213 PolarHBondContact N-OD2 2.97Å; G209-D213 VanDerWaalsContact N-OD2 3.11Å
210D98Very high97.5Very high22 Ų2262 Ų6212%0.11834%0.336CS..  trans-63155.6173.2-166.2-71.9000109.9Y201 R212 D213Y201-D210 HydrophobicContact CE1-CB 4.33Å; Y201-D210 HydrophobicContact CE2-CB 4.18Å; Y201-D210 WeakPolarHBondContact OH-CB 3.32Å; Y201-D210 PolarHBondContact OH-OD2 2.86Å; D210-R212 PolarHBondContact O-N 3.42Å; D210-R212 IonicContact OD1-CZ 3.88Å; D210-R212 PolarHBondContact OD1-N 2.97Å; D210-R212 IonicContact OD1-NE 3.57Å; D210-R212 PolarHBondContact OD1-NE 3.35Å; D210-R212 IonicContact OD1-NH2 3.98Å; D210-R212 IonicContact OD2-CZ 3.44Å; D210-R212 IonicContact OD2-NE 2.62Å; D210-R212 IonicContact OD2-NH2 3.37Å; D210-R212 PolarHBondContact OD2-NH2 3.08Å; D210-D213 PolarHBondContact N-OD2 2.61Å; D210-D213 WeakPolarHBondContact O-CB 3.36Å; D210-D213 PolarHBondContact O-N 2.75Å
211L97.3Very high97.5Very high23 Ų2363.2 Ų63.212%0.1234%0.34CS..THydrogen-bonded Turntrans-54.5-21.5171-176.655.4000113.7P227 I362 R365 L366L211-P227 HydrophobicContact CB-CG 4.04Å; L211-I362 HydrophobicContact CD1-CG2 3.96Å; L211-I362 HydrophobicContact CD2-CG1 4.22Å; L211-R365 HydrophobicContact CD1-CB 4.36Å; L211-R365 HydrophobicContact CD2-CB 4.24Å; L211-R365 VanDerWaalsContact CD2-CD 3.48Å; L211-L366 HydrophobicContact CD1-CD2 3.51Å; L211-L366 HydrophobicContact CD1-CG 3.99Å
212R97.9Very high97.5Very high178 Ų17861 Ų6167%0.67233%0.332SS*.THydrogen-bonded Turntrans-89.2-11.2178.4-65.8170.2-70.1165.83.6113.7D210 I214D210-R212 PolarHBondContact O-N 3.42Å; D210-R212 IonicContact OD1-CZ 3.88Å; D210-R212 PolarHBondContact OD1-N 2.97Å; D210-R212 IonicContact OD1-NE 3.57Å; D210-R212 PolarHBondContact OD1-NE 3.35Å; D210-R212 IonicContact OD1-NH2 3.98Å; D210-R212 IonicContact OD2-CZ 3.44Å; D210-R212 IonicContact OD2-NE 2.62Å; D210-R212 IonicContact OD2-NH2 3.37Å; D210-R212 PolarHBondContact OD2-NH2 3.08Å; R212-I214 PolarHBondContact O-N 2.91Å; R212-I214 VanDerWaalsContact O-N 3.09Å
213D98.1Very high97.8Very high46 Ų4659.3 Ų59.325%0.24631%0.314CS..  trans-78.395.4176.3-63.4-24.2000108G209 D210 N225G209-D213 PolarHBondContact N-OD2 2.97Å; G209-D213 VanDerWaalsContact N-OD2 3.11Å; D210-D213 PolarHBondContact N-OD2 2.61Å; D210-D213 WeakPolarHBondContact O-CB 3.36Å; D210-D213 PolarHBondContact O-N 2.75Å; D213-N225 PolarHBondContact O-ND2 2.96Å
214I98.6Very high98Very high33 Ų3349.8 Ų49.817%0.16927%0.27CS..  trans-119.415.1-170.862168.5000113R212 K220 Y221 N369R212-I214 PolarHBondContact O-N 2.91Å; R212-I214 VanDerWaalsContact O-N 3.09Å; I214-K220 HydrophobicContact CD1-CG 4.19Å; I214-K220 HydrophobicContact CG1-CG 4.45Å; I214-K220 CarbonylContact O-C 3.55Å; I214-K220 WeakPolarHBondContact O-CA 3.21Å; I214-Y221 HydrophobicContact CD1-CD1 4.12Å; I214-Y221 HydrophobicContact CD1-CE1 3.81Å; I214-Y221 WeakPolarHBondContact O-CA 3.44Å; I214-Y221 PolarHBondContact O-N 3.17Å; I214-N369 WeakPolarHBondContact CG2-ND2 3.48Å
215G98.3Very high98.1Very high10 Ų1047.7 Ų47.710%0.10326%0.261CS..  trans81.7173-175.300000113.7Y188Y188-G215 VanDerWaalsContact CZ-CA 3.43Å; Y188-G215 PolarHBondContact OH-N 3.39Å
216A97.8Very high98.1Very high40 Ų4043.8 Ų43.833%0.33124%0.244SC..  trans-135.8156.1-175.900000112.8Y188 T189 K218 G219 K220Y188-A216 HydrophobicContact CD1-CB 3.81Å; Y188-A216 HydrophobicContact CE1-CB 3.83Å; Y188-A216 PolarHBondContact O-N 2.97Å; T189-A216 WeakPolarHBondContact CA-O 3.41Å; T189-A216 HydrophobicContact CG2-CB 4.41Å; A216-K218 PolarHBondContact O-N 2.87Å; A216-G219 WeakPolarHBondContact O-CA 3.49Å; A216-G219 PolarHBondContact O-N 2.99Å; A216-K220 PolarHBondContact O-N 2.73Å
217G97.6Very high98.1Very high69 Ų6942.5 Ų42.571%0.71124%0.236SC*.G310 helixtrans58-125.9179.200000112G219 K220G217-G219 VanDerWaalsContact C-N 3.3Å; G217-K220 WeakPolarHBondContact O-CB 3.32Å; G217-K220 PolarHBondContact O-N 3.21Å
218K96.5Very high98.2Very high157 Ų15740 Ų4068%0.68321%0.21SC*.G310 helixtrans-67.8-29.1175.2-70.1-172.2176.1-173.10112.9A216 K220A216-K218 PolarHBondContact O-N 2.87Å; K218-K220 PolarHBondContact O-N 2.9Å
219G97.6Very high98.2Very high1 Ų142.8 Ų42.81%0.0121%0.214CC..G310 helixtrans-78.52.4177.300000114.5T189 T190 A216 G217 Y221 Y222T189-G219 PolarHBondContact O-N 2.84Å; T190-G219 WeakPolarHBondContact O-CA 3.44Å; A216-G219 WeakPolarHBondContact O-CA 3.49Å; A216-G219 PolarHBondContact O-N 2.99Å; G217-G219 VanDerWaalsContact C-N 3.3Å; G219-Y221 PolarHBondContact O-N 3.47Å; G219-Y222 WeakPolarHBondContact O-CB 3.45Å; G219-Y222 PolarHBondContact O-N 3.29Å
220K98.2Very high98.2Very high97 Ų9744.4 Ų44.442%0.42222%0.223SC..THydrogen-bonded Turntrans-63.4129.9175.3-169.5-177.9-178.7-176.70110.4I214 A216 G217 K218 Y222I214-K220 HydrophobicContact CD1-CG 4.19Å; I214-K220 HydrophobicContact CG1-CG 4.45Å; I214-K220 CarbonylContact O-C 3.55Å; I214-K220 WeakPolarHBondContact O-CA 3.21Å; A216-K220 PolarHBondContact O-N 2.73Å; G217-K220 WeakPolarHBondContact O-CB 3.32Å; G217-K220 PolarHBondContact O-N 3.21Å; K218-K220 PolarHBondContact O-N 2.9Å; K220-Y222 VanDerWaalsContact C-N 3.29Å; K220-Y222 WeakPolarHBondContact O-CD2 3.44Å
221Y98.4Very high98.3Very high53 Ų5343.4 Ų43.421%0.20822%0.217CC..THydrogen-bonded Turntrans73.64-169-50.1-68.5000115.8I214 G219 N369 M372 L373I214-Y221 HydrophobicContact CD1-CD1 4.12Å; I214-Y221 HydrophobicContact CD1-CE1 3.81Å; I214-Y221 WeakPolarHBondContact O-CA 3.44Å; I214-Y221 PolarHBondContact O-N 3.17Å; G219-Y221 PolarHBondContact O-N 3.47Å; Y221-N369 HydrophobicContact CD1-CB 4.04Å; Y221-M372 HydrophobicContact CD1-CB 4.13Å; Y221-M372 HydrophobicContact CD1-CG 4.26Å; Y221-M372 HydrophobicContact CD2-CB 3.69Å; Y221-M372 HydrophobicContact CD2-CG 4.4Å; Y221-M372 HydrophobicContact CE1-CB 4.18Å; Y221-M372 HydrophobicContact CE1-CG 3.9Å; Y221-M372 HydrophobicContact CE2-CB 3.75Å; Y221-M372 HydrophobicContact CE2-CE 4.44Å; Y221-M372 HydrophobicContact CE2-CG 4.07Å; Y221-M372 HydrophobicContact CG-CB 3.88Å; Y221-M372 HydrophobicContact CG-CG 4.49Å; Y221-L373 WeakPolarHBondContact O-CD1 3.44Å
222Y98.6Very high98.3Very high30 Ų3042.3 Ų42.312%0.11821%0.212CC..  trans-101.7-0177-66.5-98.3000113.6D191 M194 T195 G219 K220 F252 L373D191-Y222 HydrophobicContact CB-CD1 4.2Å; D191-Y222 HydrophobicContact CB-CD2 4.01Å; D191-Y222 HydrophobicContact CB-CE1 3.82Å; D191-Y222 HydrophobicContact CB-CE2 3.64Å; D191-Y222 HydrophobicContact CB-CG 4.29Å; D191-Y222 WeakPolarHBondContact O-CE1 3.49Å; M194-Y222 CarbonylContact C-O 3.58Å; M194-Y222 WeakPolarHBondContact CA-O 3.37Å; M194-Y222 HydrophobicContact CB-CD1 4.5Å; M194-Y222 HydrophobicContact CE-CD1 4Å; M194-Y222 WeakPolarHBondContact CG-O 3.24Å; T195-Y222 PolarHBondContact N-O 3.26Å; G219-Y222 WeakPolarHBondContact O-CB 3.45Å; G219-Y222 PolarHBondContact O-N 3.29Å; K220-Y222 VanDerWaalsContact C-N 3.29Å; K220-Y222 WeakPolarHBondContact O-CD2 3.44Å; Y222-F252 AromaticContact CD1-CD2 3.8Å; Y222-F252 HydrophobicContact CD1-CD2 3.8Å; Y222-F252 AromaticContact CD1-CE2 3.57Å; Y222-F252 HydrophobicContact CD1-CE2 3.57Å; Y222-F252 AromaticContact CE1-CD2 3.67Å; Y222-F252 HydrophobicContact CE1-CD2 3.67Å; Y222-F252 AromaticContact CE1-CE2 3.61Å; Y222-F252 HydrophobicContact CE1-CE2 3.61Å; Y222-L373 HydrophobicContact CD1-CD2 4.44Å; Y222-L373 HydrophobicContact CE1-CD2 3.91Å; Y222-L373 HydrophobicContact CE1-CG 4.31Å; Y222-L373 HydrophobicContact CE2-CG 4.44Å
223A98.8Very high98.4Very high5 Ų535.7 Ų35.74%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-108124.7164.200000109.2E184 Y188E184-A223 HydrophobicContact CG-CB 4.3Å; Y188-A223 HydrophobicContact CE2-CB 4.36Å
224V98.9Very high98.4Very high8 Ų835 Ų355%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-124.2111-174.7-177.90000108.9M194 T195 V196 S197 L366 L370M194-V224 HydrophobicContact CG-CG2 4.45Å; M194-V224 HydrophobicContact SD-CG2 4.27Å; T195-V224 PolarHBondContact O-N 3.11Å; V196-V224 VanDerWaalsContact CA-O 3.31Å; V196-V224 WeakPolarHBondContact CA-O 3.24Å; V196-V224 HydrophobicContact CB-CB 4.38Å; V196-V224 HydrophobicContact CG1-CB 4.11Å; V196-V224 HydrophobicContact CG1-CG1 4.04Å; V196-V224 HydrophobicContact CG2-CB 4.08Å; V196-V224 HydrophobicContact CG2-CG2 4.37Å; S197-V224 PolarHBondContact N-O 3.48Å; V224-L366 HydrophobicContact CG1-CD1 4.17Å; V224-L366 HydrophobicContact CG1-CD2 4.09Å; V224-L370 HydrophobicContact CG2-CD2 4.11Å
225N98.9Very high98.4Very high2 Ų239.9 Ų39.91%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-115.3125.3-175.8-72.2-56.4000111.8H179 E184 H199 D213 P227H179-N225 PolarHBondContact CD2-OD1 3.41Å; H179-N225 PolarHBondContact NE2-OD1 2.99Å; E184-N225 PolarHBondContact OE1-ND2 2.89Å; E184-N225 PolarHBondContact OE2-ND2 2.99Å; E184-N225 PolarHBondContact OE2-OD1 2.84Å; H199-N225 PolarHBondContact CE1-OD1 3.42Å; D213-N225 PolarHBondContact O-ND2 2.96Å; N225-P227 WeakPolarHBondContact O-CD 3.44Å
226Y98.8Very high98.4Very high1 Ų140.1 Ų40.10%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-109.189.1176.3-151.1-55.8000110S197 F198 H199 L228 I240 V244 L359 I362 K363 L366S197-Y226 PolarHBondContact O-N 2.9Å; F198-Y226 AromaticContact CD1-CD2 3.98Å; F198-Y226 HydrophobicContact CD1-CD2 3.98Å; F198-Y226 AromaticContact CD1-CG 3.81Å; F198-Y226 HydrophobicContact CD1-CG 3.81Å; F198-Y226 AromaticContact CE1-CD2 3.72Å; F198-Y226 HydrophobicContact CE1-CD2 3.72Å; F198-Y226 HydrophobicContact CE1-CG 4.05Å; H199-Y226 PolarHBondContact N-O 3.28Å; Y226-L228 HydrophobicContact CD1-CD2 3.56Å; Y226-L228 HydrophobicContact CD1-CG 4.09Å; Y226-L228 HydrophobicContact CE1-CD2 3.66Å; Y226-L228 PolarHBondContact O-N 3.27Å; Y226-I240 HydrophobicContact CD1-CD1 3.88Å; Y226-I240 HydrophobicContact CD2-CD1 4.18Å; Y226-I240 HydrophobicContact CE1-CD1 3.59Å; Y226-I240 HydrophobicContact CE2-CB 3.93Å; Y226-I240 HydrophobicContact CE2-CD1 3.91Å; Y226-I240 HydrophobicContact CE2-CG1 4.46Å; Y226-I240 HydrophobicContact CE2-CG2 4.39Å; Y226-I240 HydrophobicContact CG-CD1 4.18Å; Y226-I240 VanDerWaalsContact OH-CG2 3.23Å; Y226-I240 WeakPolarHBondContact OH-CG2 3.35Å; Y226-V244 HydrophobicContact CD2-CG2 4.1Å; Y226-V244 HydrophobicContact CE2-CG2 3.92Å; Y226-L359 HydrophobicContact CE1-CD2 3.97Å; Y226-L359 PolarHBondContact OH-O 2.89Å; Y226-I362 HydrophobicContact CD1-CG2 3.71Å; Y226-I362 HydrophobicContact CD2-CG2 4.13Å; Y226-I362 HydrophobicContact CE1-CB 3.91Å; Y226-I362 HydrophobicContact CE1-CD1 4.21Å; Y226-I362 HydrophobicContact CE1-CG2 3.53Å; Y226-I362 HydrophobicContact CE2-CG2 3.98Å; Y226-I362 HydrophobicContact CG-CG2 4Å; Y226-K363 HydrophobicContact CE2-CB 4.34Å; Y226-L366 HydrophobicContact CD2-CD1 3.37Å; Y226-L366 HydrophobicContact CE2-CD1 3.93Å; Y226-L366 HydrophobicContact CG-CD1 4.01Å
227P98.8Very high98.5Very high6 Ų638.4 Ų38.44%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-72.9126.2-179.927.2-34000111.6Y201 L211 N225 Y358 I362Y201-P227 HydrophobicContact CD1-CB 3.95Å; Y201-P227 HydrophobicContact CG-CB 3.77Å; L211-P227 HydrophobicContact CB-CG 4.04Å; N225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-Y358 PolarHBondContact O-OH 3.04Å; P227-I362 HydrophobicContact CG-CD1 4.13Å; P227-I362 VanDerWaalsContact O-CD1 3.26Å; P227-I362 WeakPolarHBondContact O-CD1 3.37Å
228L98.8Very high98.5Very high0 Ų038.5 Ų38.50%018%0.175CC..EExtended strand (participates in β ladder)trans-118.6162.1-176.5-62.7172.4000112F198 H199 K200 Y201 Y226 I232 Y237 I240 F274 L359F198-L228 HydrophobicContact CB-CD1 4.47Å; H199-L228 WeakPolarHBondContact O-CB 3.5Å; H199-L228 PolarHBondContact O-N 3.38Å; K200-L228 WeakPolarHBondContact CA-O 3.5Å; Y201-L228 PolarHBondContact N-O 3.24Å; Y226-L228 HydrophobicContact CD1-CD2 3.56Å; Y226-L228 HydrophobicContact CD1-CG 4.09Å; Y226-L228 HydrophobicContact CE1-CD2 3.66Å; Y226-L228 PolarHBondContact O-N 3.27Å; L228-I232 HydrophobicContact CD1-CD1 3.88Å; L228-I232 HydrophobicContact CD2-CD1 3.86Å; L228-I232 HydrophobicContact CG-CD1 4.43Å; L228-Y237 HydrophobicContact CD1-CD2 4.36Å; L228-Y237 HydrophobicContact CD1-CE2 4.08Å; L228-I240 HydrophobicContact CD2-CD1 3.97Å; L228-F274 HydrophobicContact CB-CE1 4.08Å; L228-F274 HydrophobicContact CB-CZ 3.73Å; L228-F274 HydrophobicContact CD1-CE2 3.96Å; L228-F274 HydrophobicContact CD1-CZ 3.65Å; L228-F274 HydrophobicContact CG-CZ 4.33Å; L228-L359 HydrophobicContact CD2-CD2 3.74Å
229R98.7Very high98.6Very high117 Ų11733.8 Ų33.844%0.44217%0.165SC..  trans-106.7173.7172.6-61.6178.6175-178.6-4.6110.4Q353 N354 Y358R229-Q353 HydrophobicContact CB-CB 3.89Å; R229-Q353 WeakPolarHBondContact CD-O 3.37Å; R229-N354 PolarHBondContact N-OD1 3.3Å; R229-N354 PolarHBondContact O-ND2 3.35Å; R229-Y358 HydrophobicContact CG-CE1 4.38Å
230D98.6Very high98.7Very high35 Ų3533.9 Ų33.919%0.18717%0.165CC..THydrogen-bonded Turntrans-60.2152.4-176.8-52.4-6.6000113K200 I232 C273 M350 Q353 N354K200-D230 WeakPolarHBondContact CD-OD1 3.4Å; K200-D230 VanDerWaalsContact CE-OD1 3.23Å; K200-D230 WeakPolarHBondContact CE-OD1 3.36Å; K200-D230 IonicContact NZ-OD1 3.58Å; K200-D230 PolarHBondContact NZ-OD1 2.93Å; D230-I232 PolarHBondContact O-N 3.44Å; D230-C273 WeakPolarHBondContact CA-O 3.42Å; D230-C273 PolarHBondContact OD1-SG 3.42Å; D230-M350 HydrophobicContact CB-CE 4.27Å; D230-Q353 PolarHBondContact O-N 2.94Å; D230-N354 PolarHBondContact O-ND2 2.83Å
231G98.4Very high98.7Very high0 Ų029.4 Ų29.40%015%0.146CC..THydrogen-bonded Turntrans74.718.7166.700000115.8D233 C273 N352G231-D233 PolarHBondContact O-N 3.05Å; G231-C273 PolarHBondContact N-O 3.49Å; G231-N352 VanDerWaalsContact O-CA 3.24Å; G231-N352 WeakPolarHBondContact O-CA 3.44Å; G231-N352 WeakPolarHBondContact O-CB 3.39Å
232I98.8Very high98.7Very high0 Ų029.9 Ų29.90%015%0.149CC..  trans-55.9134.1174.5-164.8162.8000110.8L228 D230 Y237 I240 F274 N275 L276L228-I232 HydrophobicContact CD1-CD1 3.88Å; L228-I232 HydrophobicContact CD2-CD1 3.86Å; L228-I232 HydrophobicContact CG-CD1 4.43Å; D230-I232 PolarHBondContact O-N 3.44Å; I232-Y237 HydrophobicContact CD1-CD2 3.88Å; I232-Y237 HydrophobicContact CD1-CG 4.45Å; I232-Y237 HydrophobicContact CG1-CD2 4.35Å; I232-Y237 HydrophobicContact CG2-CD2 4.05Å; I232-I240 HydrophobicContact CD1-CD1 4.38Å; I232-F274 HydrophobicContact CG2-CB 4.05Å; I232-F274 HydrophobicContact CG2-CD1 3.72Å; I232-F274 HydrophobicContact CG2-CD2 3.53Å; I232-F274 HydrophobicContact CG2-CE1 3.99Å; I232-F274 HydrophobicContact CG2-CE2 3.84Å; I232-F274 HydrophobicContact CG2-CG 3.49Å; I232-F274 VanDerWaalsContact CG2-CG 3.49Å; I232-F274 HydrophobicContact CG2-CZ 4.06Å; I232-N275 CarbonylContact O-C 3.43Å; I232-N275 WeakPolarHBondContact O-CA 3.31Å; I232-N275 WeakPolarHBondContact O-CB 3.23Å; I232-N275 PolarHBondContact O-N 3.22Å; I232-L276 HydrophobicContact CG2-CD2 4.34Å
233D98.6Very high98.7Very high40 Ų4030.4 Ų30.421%0.21416%0.156CC..  trans-99169.9179.652.837.5000112G231 E235 S236 Y237 N352G231-D233 PolarHBondContact O-N 3.05Å; D233-E235 VanDerWaalsContact C-N 3.31Å; D233-E235 PolarHBondContact O-N 3.16Å; D233-S236 PolarHBondContact O-N 2.64Å; D233-S236 WeakPolarHBondContact OD1-CA 3.42Å; D233-S236 WeakPolarHBondContact OD1-CB 3.26Å; D233-S236 PolarHBondContact OD1-N 3.24Å; D233-S236 PolarHBondContact OD1-OG 3.13Å; D233-Y237 WeakPolarHBondContact O-CB 3.18Å; D233-Y237 PolarHBondContact O-N 3.32Å; D233-N352 VanDerWaalsContact CG-ND2 3.3Å; D233-N352 PolarHBondContact OD1-ND2 3.19Å; D233-N352 PolarHBondContact OD2-ND2 2.89Å
234D98.8Very high98.7Very high30 Ų3030.2 Ų30.216%0.1616%0.155CC..Hα-helixtrans-58-44.2-177.8-69.4-10.9000111.4Y237 E238 L276 T277 G280D234-Y237 PolarHBondContact O-N 3.36Å; D234-E238 WeakPolarHBondContact O-CB 3.29Å; D234-E238 PolarHBondContact O-N 3.12Å; D234-L276 VanDerWaalsContact OD1-CA 3.3Å; D234-L276 WeakPolarHBondContact OD1-CA 3.26Å; D234-T277 PolarHBondContact OD1-N 3.47Å; D234-T277 WeakPolarHBondContact OD2-CB 3.26Å; D234-T277 VanDerWaalsContact OD2-CG2 3.27Å; D234-T277 WeakPolarHBondContact OD2-CG2 3.43Å; D234-T277 PolarHBondContact OD2-OG1 3.11Å; D234-G280 WeakPolarHBondContact OD1-CA 3.46Å
235E98.5Very high98.7Very high137 Ų13729.9 Ų29.964%0.6415%0.153SC*.Hα-helixtrans-65-46.1-177.5-64.778.4-172.600111.9D233 A239D233-E235 VanDerWaalsContact C-N 3.31Å; D233-E235 PolarHBondContact O-N 3.16Å; E235-A239 WeakPolarHBondContact O-CB 3.49Å; E235-A239 PolarHBondContact O-N 2.92Å
236S98.7Very high98.7Very high14 Ų1432.2 Ų32.210%0.09817%0.169CC..Hα-helixtrans-65.5-42.8178.2-59.90000111.1D233 A239 I240 N352D233-S236 PolarHBondContact O-N 2.64Å; D233-S236 WeakPolarHBondContact OD1-CA 3.42Å; D233-S236 WeakPolarHBondContact OD1-CB 3.26Å; D233-S236 PolarHBondContact OD1-N 3.24Å; D233-S236 PolarHBondContact OD1-OG 3.13Å; S236-A239 PolarHBondContact O-N 2.89Å; S236-I240 WeakPolarHBondContact O-CG1 3.48Å; S236-I240 PolarHBondContact O-N 2.92Å; S236-N352 PolarHBondContact OG-ND2 2.95Å; S236-N352 VanDerWaalsContact OG-ND2 3.11Å
237Y98.9Very high98.7Very high4 Ų433.7 Ų33.72%0.01618%0.175CC..Hα-helixtrans-66.1-46.8-179-159.1-77.9000111.1I175 F198 L228 I232 D233 D234 A239 I240 F241 F274 L276I175-Y237 WeakPolarHBondContact CG2-OH 3.48Å; F198-Y237 HydrophobicContact CB-CE2 4.26Å; F198-Y237 VanDerWaalsContact CB-OH 3.23Å; F198-Y237 WeakPolarHBondContact CB-OH 3.49Å; L228-Y237 HydrophobicContact CD1-CD2 4.36Å; L228-Y237 HydrophobicContact CD1-CE2 4.08Å; I232-Y237 HydrophobicContact CD1-CD2 3.88Å; I232-Y237 HydrophobicContact CD1-CG 4.45Å; I232-Y237 HydrophobicContact CG1-CD2 4.35Å; I232-Y237 HydrophobicContact CG2-CD2 4.05Å; D233-Y237 WeakPolarHBondContact O-CB 3.18Å; D233-Y237 PolarHBondContact O-N 3.32Å; D234-Y237 PolarHBondContact O-N 3.36Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.48Å; Y237-I240 WeakPolarHBondContact O-CG1 3.45Å; Y237-I240 PolarHBondContact O-N 3.05Å; Y237-F241 HydrophobicContact CD1-CB 4.1Å; Y237-F241 HydrophobicContact CE1-CB 4.18Å; Y237-F241 AromaticContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CG 4.3Å; Y237-F241 WeakPolarHBondContact O-CB 3.48Å; Y237-F241 PolarHBondContact O-N 3.28Å; Y237-F274 HydrophobicContact CE2-CE2 4.24Å; Y237-L276 HydrophobicContact CD2-CD1 3.88Å; Y237-L276 HydrophobicContact CD2-CD2 4.03Å; Y237-L276 HydrophobicContact CD2-CG 4.48Å; Y237-L276 HydrophobicContact CE2-CD1 4.02Å; Y237-L276 HydrophobicContact CG-CD1 4.2Å; Y237-L276 HydrophobicContact CG-CD2 3.99Å
238E98.8Very high98.7Very high71 Ų7133.4 Ų33.433%0.33217%0.174SC..Hα-helixtrans-60.9-41.1176.7-175.2177-164.300111.8D234 I240 F241 K242D234-E238 WeakPolarHBondContact O-CB 3.29Å; D234-E238 PolarHBondContact O-N 3.12Å; E238-I240 PolarHBondContact O-N 3.34Å; E238-F241 PolarHBondContact O-N 2.96Å; E238-K242 HydrophobicContact CG-CD 3.9Å; E238-K242 HydrophobicContact CG-CG 4.24Å; E238-K242 PolarHBondContact O-N 3.22Å; E238-K242 WeakPolarHBondContact OE1-CE 3.39Å; E238-K242 IonicContact OE1-NZ 2.68Å; E238-K242 PolarHBondContact OE1-NZ 2.85Å
239A98.5Very high98.6Very high58 Ų5834.3 Ų34.348%0.47918%0.178SC..Hα-helixtrans-64.5-21.9-179.500000113.9E235 S236 Y237 P243E235-A239 WeakPolarHBondContact O-CB 3.49Å; E235-A239 PolarHBondContact O-N 2.92Å; S236-A239 PolarHBondContact O-N 2.89Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.48Å; A239-P243 VanDerWaalsContact O-CD 3.27Å; A239-P243 WeakPolarHBondContact O-CD 3.33Å; A239-P243 VanDerWaalsContact O-CG 3.26Å; A239-P243 WeakPolarHBondContact O-CG 3.25Å
240I98.7Very high98.5Very high3 Ų334 Ų342%0.01518%0.182CC..Hα-helixtrans-100.3-38174.363.6159.5000112.6F198 Y226 L228 I232 S236 Y237 E238 P243 V244 L359F198-I240 HydrophobicContact CD1-CD1 4.1Å; F198-I240 HydrophobicContact CE1-CD1 4.36Å; Y226-I240 HydrophobicContact CD1-CD1 3.88Å; Y226-I240 HydrophobicContact CD2-CD1 4.18Å; Y226-I240 HydrophobicContact CE1-CD1 3.59Å; Y226-I240 HydrophobicContact CE2-CB 3.93Å; Y226-I240 HydrophobicContact CE2-CD1 3.91Å; Y226-I240 HydrophobicContact CE2-CG1 4.46Å; Y226-I240 HydrophobicContact CE2-CG2 4.39Å; Y226-I240 HydrophobicContact CG-CD1 4.18Å; Y226-I240 VanDerWaalsContact OH-CG2 3.23Å; Y226-I240 WeakPolarHBondContact OH-CG2 3.35Å; L228-I240 HydrophobicContact CD2-CD1 3.97Å; I232-I240 HydrophobicContact CD1-CD1 4.38Å; S236-I240 WeakPolarHBondContact O-CG1 3.48Å; S236-I240 PolarHBondContact O-N 2.92Å; Y237-I240 WeakPolarHBondContact O-CG1 3.45Å; Y237-I240 PolarHBondContact O-N 3.05Å; E238-I240 PolarHBondContact O-N 3.34Å; I240-P243 WeakPolarHBondContact O-CD 3.43Å; I240-V244 WeakPolarHBondContact O-CB 3.36Å; I240-V244 VanDerWaalsContact O-CG2 3.24Å; I240-V244 WeakPolarHBondContact O-CG2 3.44Å; I240-V244 PolarHBondContact O-N 3.13Å; I240-V244 VanDerWaalsContact O-N 3.16Å; I240-L359 HydrophobicContact CD1-CD2 4.44Å; I240-L359 HydrophobicContact CG2-CB 4.03Å; I240-L359 HydrophobicContact CG2-CD1 4.25Å; I240-L359 HydrophobicContact CG2-CD2 4.33Å; I240-L359 HydrophobicContact CG2-CG 4.44Å
241F98.9Very high98.5Very high3 Ų333.3 Ų33.31%0.01318%0.177CC..Hα-helixtrans-65.1-52.9-174-177.3-93.1000110.3I173 I175 F198 Y237 E238 V244 M245 C284 F287 V288I173-F241 HydrophobicContact CG2-CE2 3.98Å; I173-F241 HydrophobicContact CG2-CZ 4.18Å; I175-F241 HydrophobicContact CG2-CD2 4.49Å; I175-F241 HydrophobicContact CG2-CE2 3.82Å; F198-F241 HydrophobicContact CD2-CD2 4.01Å; F198-F241 HydrophobicContact CD2-CE2 4.19Å; F198-F241 HydrophobicContact CE1-CD2 4.27Å; F198-F241 AromaticContact CE2-CD2 3.56Å; F198-F241 HydrophobicContact CE2-CD2 3.56Å; F198-F241 AromaticContact CE2-CE2 3.74Å; F198-F241 HydrophobicContact CE2-CE2 3.74Å; F198-F241 AromaticContact CZ-CD2 3.71Å; F198-F241 HydrophobicContact CZ-CD2 3.71Å; F198-F241 HydrophobicContact CZ-CE2 4.29Å; F198-F241 HydrophobicContact CZ-CG 4.49Å; Y237-F241 HydrophobicContact CD1-CB 4.1Å; Y237-F241 HydrophobicContact CE1-CB 4.18Å; Y237-F241 AromaticContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CG 4.3Å; Y237-F241 WeakPolarHBondContact O-CB 3.48Å; Y237-F241 PolarHBondContact O-N 3.28Å; E238-F241 PolarHBondContact O-N 2.96Å; F241-V244 PolarHBondContact O-N 3.43Å; F241-M245 HydrophobicContact CD1-CG 4.07Å; F241-M245 HydrophobicContact CD2-CG 4.05Å; F241-M245 HydrophobicContact CE1-CB 4.47Å; F241-M245 HydrophobicContact CE1-CG 3.82Å; F241-M245 HydrophobicContact CE2-CG 3.79Å; F241-M245 HydrophobicContact CE2-SD 4.45Å; F241-M245 HydrophobicContact CG-CG 4.19Å; F241-M245 HydrophobicContact CZ-CG 3.67Å; F241-M245 VanDerWaalsContact O-CB 3.3Å; F241-M245 WeakPolarHBondContact O-CB 3.41Å; F241-M245 VanDerWaalsContact O-CG 3.29Å; F241-M245 WeakPolarHBondContact O-CG 3.24Å; F241-M245 PolarHBondContact O-N 3.21Å; F241-C284 HydrophobicContact CD1-CB 4.26Å; F241-C284 HydrophobicContact CE1-CB 3.74Å; F241-C284 HydrophobicContact CE2-CB 4.11Å; F241-C284 HydrophobicContact CZ-CB 3.65Å; F241-F287 HydrophobicContact CD1-CD1 4.15Å; F241-F287 HydrophobicContact CE1-CB 4.29Å; F241-F287 AromaticContact CE1-CD1 3.9Å; F241-F287 HydrophobicContact CE1-CD1 3.9Å; F241-V288 HydrophobicContact CE1-CG2 4.25Å; F241-V288 HydrophobicContact CZ-CG2 4.01Å
242K98.8Very high98.4Very high63 Ų6333.5 Ų33.527%0.27418%0.178SC..Hα-helixtrans-59.8-48.3-177.2-69-174.3169175.20112.6E238 S246 F287E238-K242 HydrophobicContact CG-CD 3.9Å; E238-K242 HydrophobicContact CG-CG 4.24Å; E238-K242 PolarHBondContact O-N 3.22Å; E238-K242 WeakPolarHBondContact OE1-CE 3.39Å; E238-K242 IonicContact OE1-NZ 2.68Å; E238-K242 PolarHBondContact OE1-NZ 2.85Å; K242-S246 VanDerWaalsContact O-CB 3.32Å; K242-S246 WeakPolarHBondContact O-CB 3Å; K242-S246 PolarHBondContact O-N 3.27Å; K242-S246 PolarHBondContact O-OG 3.03Å; K242-F287 HydrophobicContact CB-CD2 4.39Å; K242-F287 HydrophobicContact CB-CE1 4.25Å; K242-F287 HydrophobicContact CB-CE2 4.11Å; K242-F287 HydrophobicContact CB-CZ 4.04Å; K242-F287 HydrophobicContact CD-CD2 3.89Å; K242-F287 HydrophobicContact CD-CE2 4.14Å; K242-F287 HydrophobicContact CD-CG 4.4Å; K242-F287 HydrophobicContact CG-CB 4.44Å; K242-F287 HydrophobicContact CG-CD1 4.1Å; K242-F287 HydrophobicContact CG-CD2 3.7Å; K242-F287 HydrophobicContact CG-CE1 4.29Å; K242-F287 HydrophobicContact CG-CE2 3.91Å; K242-F287 HydrophobicContact CG-CG 3.8Å; K242-F287 HydrophobicContact CG-CZ 4.2Å
243P98.7Very high98.3Very high42 Ų4237.7 Ų37.727%0.27320%0.198SC..Hα-helixtrans-65.1-43178.7-26.237.7000113.7A239 I240 S246 K247 K363 F367A239-P243 VanDerWaalsContact O-CD 3.27Å; A239-P243 WeakPolarHBondContact O-CD 3.33Å; A239-P243 VanDerWaalsContact O-CG 3.26Å; A239-P243 WeakPolarHBondContact O-CG 3.25Å; I240-P243 WeakPolarHBondContact O-CD 3.43Å; P243-S246 PolarHBondContact O-N 3.45Å; P243-K247 PolarHBondContact O-N 3.19Å; P243-K247 VanDerWaalsContact O-N 3.09Å; P243-K363 HydrophobicContact CB-CD 4.25Å; P243-F367 HydrophobicContact CB-CZ 4.07Å; P243-F367 WeakPolarHBondContact O-CZ 3.37Å
244V98.8Very high98.3Very high1 Ų136.3 Ų36.31%0.00619%0.191CC..Hα-helixtrans-62.9-50.2179171.30000109.9F198 Y226 I240 F241 S246 K247 V248 K363 F367F198-V244 HydrophobicContact CE1-CB 4.46Å; F198-V244 HydrophobicContact CE1-CG1 4.45Å; F198-V244 HydrophobicContact CZ-CB 4.2Å; F198-V244 HydrophobicContact CZ-CG1 3.97Å; Y226-V244 HydrophobicContact CD2-CG2 4.1Å; Y226-V244 HydrophobicContact CE2-CG2 3.92Å; I240-V244 WeakPolarHBondContact O-CB 3.36Å; I240-V244 VanDerWaalsContact O-CG2 3.24Å; I240-V244 WeakPolarHBondContact O-CG2 3.44Å; I240-V244 PolarHBondContact O-N 3.13Å; I240-V244 VanDerWaalsContact O-N 3.16Å; F241-V244 PolarHBondContact O-N 3.43Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 3.09Å; V244-K247 PolarHBondContact O-N 2.64Å; V244-K247 VanDerWaalsContact O-N 3.09Å; V244-V248 HydrophobicContact CG1-CG2 4.33Å; V244-V248 WeakPolarHBondContact O-CG2 3.49Å; V244-V248 PolarHBondContact O-N 3.4Å; V244-K363 HydrophobicContact CG2-CG 4.1Å; V244-F367 HydrophobicContact CG2-CE2 4.14Å
245M98.8Very high98.3Very high0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-66.5-34.8-179.1-65.9-44.9-52.100112.7L171 I173 V196 F198 F241 K247 V248 M249 F287L171-M245 HydrophobicContact CD2-CE 3.84Å; I173-M245 HydrophobicContact CD1-CE 3.47Å; I173-M245 VanDerWaalsContact CD1-CE 3.47Å; I173-M245 HydrophobicContact CG1-CE 3.62Å; I173-M245 HydrophobicContact CG2-CE 4.36Å; I173-M245 HydrophobicContact CG2-SD 4.27Å; V196-M245 HydrophobicContact CB-SD 4.3Å; V196-M245 HydrophobicContact CG1-SD 3.78Å; F198-M245 HydrophobicContact CE2-CG 4.47Å; F198-M245 HydrophobicContact CE2-SD 3.92Å; F198-M245 HydrophobicContact CZ-CG 4.37Å; F198-M245 HydrophobicContact CZ-SD 4.09Å; F241-M245 HydrophobicContact CD1-CG 4.07Å; F241-M245 HydrophobicContact CD2-CG 4.05Å; F241-M245 HydrophobicContact CE1-CB 4.47Å; F241-M245 HydrophobicContact CE1-CG 3.82Å; F241-M245 HydrophobicContact CE2-CG 3.79Å; F241-M245 HydrophobicContact CE2-SD 4.45Å; F241-M245 HydrophobicContact CG-CG 4.19Å; F241-M245 HydrophobicContact CZ-CG 3.67Å; F241-M245 VanDerWaalsContact O-CB 3.3Å; F241-M245 WeakPolarHBondContact O-CB 3.41Å; F241-M245 VanDerWaalsContact O-CG 3.29Å; F241-M245 WeakPolarHBondContact O-CG 3.24Å; F241-M245 PolarHBondContact O-N 3.21Å; M245-K247 VanDerWaalsContact C-N 3.3Å; M245-K247 PolarHBondContact O-N 2.98Å; M245-V248 HydrophobicContact CE-CB 4.13Å; M245-V248 HydrophobicContact CE-CG1 3.94Å; M245-V248 PolarHBondContact O-N 3.49Å; M245-M249 VanDerWaalsContact O-CG 3.25Å; M245-M249 WeakPolarHBondContact O-CG 3.39Å; M245-M249 PolarHBondContact O-N 2.96Å; M245-F287 HydrophobicContact CB-CD1 4.19Å; M245-F287 HydrophobicContact CB-CE1 3.78Å
246S98.7Very high98.3Very high51 Ų5130.3 Ų30.336%0.35717%0.167SC..Hα-helixtrans-58.5-44.7171.1-57.60000111.3K242 P243 V244 M249 E250 F287K242-S246 VanDerWaalsContact O-CB 3.32Å; K242-S246 WeakPolarHBondContact O-CB 3Å; K242-S246 PolarHBondContact O-N 3.27Å; K242-S246 PolarHBondContact O-OG 3.03Å; P243-S246 PolarHBondContact O-N 3.45Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 3.09Å; S246-M249 PolarHBondContact O-N 3.37Å; S246-E250 WeakPolarHBondContact O-CB 3.48Å; S246-E250 PolarHBondContact O-N 2.84Å; S246-F287 WeakPolarHBondContact OG-CZ 3.23Å
247K98.3Very high98.3Very high32 Ų3229.8 Ų29.814%0.13916%0.163CC..Hα-helixtrans-70.2-37.5-179.2-168.664.7-171.2167.70112P243 V244 M245 E250 M251 F367 L370P243-K247 PolarHBondContact O-N 3.19Å; P243-K247 VanDerWaalsContact O-N 3.09Å; V244-K247 PolarHBondContact O-N 2.64Å; V244-K247 VanDerWaalsContact O-N 3.09Å; M245-K247 VanDerWaalsContact C-N 3.3Å; M245-K247 PolarHBondContact O-N 2.98Å; K247-E250 VanDerWaalsContact CD-OE2 3.32Å; K247-E250 WeakPolarHBondContact CD-OE2 3.38Å; K247-E250 IonicContact NZ-OE1 2.66Å; K247-E250 PolarHBondContact NZ-OE1 2.91Å; K247-E250 IonicContact NZ-OE2 3.63Å; K247-E250 PolarHBondContact NZ-OE2 3.35Å; K247-E250 PolarHBondContact O-N 3.24Å; K247-M251 HydrophobicContact CD-CG 4.2Å; K247-M251 HydrophobicContact CG-CG 4.29Å; K247-M251 WeakPolarHBondContact O-CB 3.46Å; K247-M251 VanDerWaalsContact O-CG 3.28Å; K247-M251 WeakPolarHBondContact O-CG 3.4Å; K247-M251 PolarHBondContact O-N 3.05Å; K247-F367 HydrophobicContact CB-CE1 4.23Å; K247-F367 HydrophobicContact CB-CE2 4.24Å; K247-F367 HydrophobicContact CB-CZ 3.97Å; K247-F367 HydrophobicContact CD-CE1 4.44Å; K247-F367 HydrophobicContact CG-CD1 4.31Å; K247-F367 HydrophobicContact CG-CE1 4.25Å; K247-F367 HydrophobicContact CG-CZ 4.42Å; K247-L370 HydrophobicContact CB-CD1 4Å; K247-L370 HydrophobicContact CG-CB 4.15Å; K247-L370 HydrophobicContact CG-CD1 3.81Å
248V98.6Very high98.3Very high0 Ų029.6 Ų29.60%016%0.162CC..Hα-helixtrans-58.3-51.1171.8165.10000110.4L171 M194 V196 V244 M245 E250 M251 F252 L370L171-V248 HydrophobicContact CD1-CG1 3.6Å; L171-V248 HydrophobicContact CD2-CG1 3.83Å; L171-V248 HydrophobicContact CG-CG1 4.39Å; M194-V248 HydrophobicContact SD-CB 4.46Å; M194-V248 HydrophobicContact SD-CG1 3.67Å; M194-V248 HydrophobicContact SD-CG2 4.26Å; V196-V248 HydrophobicContact CG2-CG1 4.19Å; V196-V248 HydrophobicContact CG2-CG2 4.06Å; V244-V248 HydrophobicContact CG1-CG2 4.33Å; V244-V248 WeakPolarHBondContact O-CG2 3.49Å; V244-V248 PolarHBondContact O-N 3.4Å; M245-V248 HydrophobicContact CE-CB 4.13Å; M245-V248 HydrophobicContact CE-CG1 3.94Å; M245-V248 PolarHBondContact O-N 3.49Å; V248-E250 VanDerWaalsContact C-N 3.32Å; V248-E250 PolarHBondContact O-N 3.45Å; V248-M251 PolarHBondContact O-N 3.22Å; V248-F252 WeakPolarHBondContact O-CA 3.44Å; V248-F252 WeakPolarHBondContact O-CB 3.42Å; V248-F252 PolarHBondContact O-N 2.93Å; V248-L370 HydrophobicContact CG2-CD1 3.99Å; V248-L370 HydrophobicContact CG2-CD2 4Å
249M98.1Very high98.3Very high19 Ų1926.2 Ų26.29%0.09415%0.146CC..Hα-helixtrans-60.5-41.3178.7-67.4-66.8-17400112.1L171 M245 S246 Q253 P254 V257 F291 L293L171-M249 HydrophobicContact CD2-CE 3.5Å; L171-M249 VanDerWaalsContact CD2-CE 3.5Å; L171-M249 HydrophobicContact CD2-SD 3.79Å; M245-M249 VanDerWaalsContact O-CG 3.25Å; M245-M249 WeakPolarHBondContact O-CG 3.39Å; M245-M249 PolarHBondContact O-N 2.96Å; S246-M249 PolarHBondContact O-N 3.37Å; M249-Q253 WeakPolarHBondContact O-CA 3.47Å; M249-Q253 PolarHBondContact O-N 3.13Å; M249-Q253 VanDerWaalsContact O-N 3.09Å; M249-P254 HydrophobicContact SD-CG 3.58Å; M249-P254 VanDerWaalsContact SD-CG 3.58Å; M249-V257 HydrophobicContact CE-CG2 4.06Å; M249-F291 HydrophobicContact CB-CD1 4.08Å; M249-F291 HydrophobicContact CB-CE1 3.8Å; M249-F291 HydrophobicContact CB-CZ 4.22Å; M249-F291 HydrophobicContact CE-CB 4.36Å; M249-F291 HydrophobicContact CE-CD2 3.76Å; M249-F291 HydrophobicContact CE-CE2 4.23Å; M249-F291 HydrophobicContact CE-CG 4.06Å; M249-F291 HydrophobicContact CG-CD1 3.83Å; M249-F291 HydrophobicContact CG-CD2 4.06Å; M249-F291 HydrophobicContact CG-CE1 3.69Å; M249-F291 HydrophobicContact CG-CE2 3.94Å; M249-F291 HydrophobicContact CG-CG 4.01Å; M249-F291 HydrophobicContact CG-CZ 3.75Å; M249-F291 HydrophobicContact SD-CD1 4.47Å; M249-F291 HydrophobicContact SD-CD2 4.44Å; M249-F291 HydrophobicContact SD-CG 4.25Å; M249-L293 HydrophobicContact SD-CD1 4.31Å
250E96.8Very high98.3Very high112 Ų11223.4 Ų23.452%0.52312%0.123SC..Hα-helixtrans-61.3-46.5177.3-172.7-160.9142.600112.6S246 K247 V248 Q253S246-E250 WeakPolarHBondContact O-CB 3.48Å; S246-E250 PolarHBondContact O-N 2.84Å; K247-E250 VanDerWaalsContact CD-OE2 3.32Å; K247-E250 WeakPolarHBondContact CD-OE2 3.38Å; K247-E250 IonicContact NZ-OE1 2.66Å; K247-E250 PolarHBondContact NZ-OE1 2.91Å; K247-E250 IonicContact NZ-OE2 3.63Å; K247-E250 PolarHBondContact NZ-OE2 3.35Å; K247-E250 PolarHBondContact O-N 3.24Å; V248-E250 VanDerWaalsContact C-N 3.32Å; V248-E250 PolarHBondContact O-N 3.45Å; E250-Q253 WeakPolarHBondContact O-CG 3.38Å; E250-Q253 PolarHBondContact O-NE2 3.11Å
251M96.7Very high98.4Very high19 Ų1923.3 Ų23.39%0.09412%0.123CC..Hα-helixtrans-87.5-43.6-172.1-61.6-55.1-57.900112.8K247 V248 L370 L373K247-M251 HydrophobicContact CD-CG 4.2Å; K247-M251 HydrophobicContact CG-CG 4.29Å; K247-M251 WeakPolarHBondContact O-CB 3.46Å; K247-M251 VanDerWaalsContact O-CG 3.28Å; K247-M251 WeakPolarHBondContact O-CG 3.4Å; K247-M251 PolarHBondContact O-N 3.05Å; V248-M251 PolarHBondContact O-N 3.22Å; M251-L370 WeakPolarHBondContact CE-O 3.31Å; M251-L370 HydrophobicContact CG-CB 4.46Å; M251-L373 HydrophobicContact CB-CB 4.35Å; M251-L373 HydrophobicContact CB-CD2 4.34Å; M251-L373 HydrophobicContact CE-CB 4.26Å
252F97.5Very high98.3Very high4 Ų423.1 Ų23.12%0.01812%0.122CC..Hα-helixtrans-84.5-29.2-176.2-174.8-119.1000112.6R169 V170 L171 D191 M194 Y222 V248 P254 L373R169-F252 HydrophobicContact CB-CE1 3.97Å; R169-F252 HydrophobicContact CB-CE2 4.24Å; R169-F252 HydrophobicContact CB-CZ 3.7Å; R169-F252 WeakPolarHBondContact CD-O 3.45Å; R169-F252 HydrophobicContact CG-CE2 4.09Å; R169-F252 HydrophobicContact CG-CZ 4.03Å; R169-F252 PolarHBondContact NE-O 3.42Å; V170-F252 WeakPolarHBondContact O-CE1 3.48Å; L171-F252 HydrophobicContact CB-CD1 4.19Å; L171-F252 HydrophobicContact CB-CE1 4.09Å; L171-F252 HydrophobicContact CD1-CD1 4.38Å; D191-F252 WeakPolarHBondContact O-CE2 3.44Å; M194-F252 HydrophobicContact CB-CD1 3.7Å; M194-F252 HydrophobicContact CB-CD2 3.85Å; M194-F252 HydrophobicContact CB-CE1 3.55Å; M194-F252 HydrophobicContact CB-CE2 3.72Å; M194-F252 HydrophobicContact CB-CG 3.85Å; M194-F252 HydrophobicContact CB-CZ 3.56Å; M194-F252 HydrophobicContact CE-CB 3.83Å; M194-F252 HydrophobicContact CE-CD2 3.79Å; M194-F252 HydrophobicContact CE-CG 3.9Å; M194-F252 HydrophobicContact CG-CG 4.49Å; M194-F252 HydrophobicContact SD-CB 3.79Å; M194-F252 HydrophobicContact SD-CD1 4.27Å; M194-F252 HydrophobicContact SD-CD2 4.28Å; M194-F252 HydrophobicContact SD-CG 3.86Å; Y222-F252 AromaticContact CD1-CD2 3.8Å; Y222-F252 HydrophobicContact CD1-CD2 3.8Å; Y222-F252 AromaticContact CD1-CE2 3.57Å; Y222-F252 HydrophobicContact CD1-CE2 3.57Å; Y222-F252 AromaticContact CE1-CD2 3.67Å; Y222-F252 HydrophobicContact CE1-CD2 3.67Å; Y222-F252 AromaticContact CE1-CE2 3.61Å; Y222-F252 HydrophobicContact CE1-CE2 3.61Å; V248-F252 WeakPolarHBondContact O-CA 3.44Å; V248-F252 WeakPolarHBondContact O-CB 3.42Å; V248-F252 PolarHBondContact O-N 2.93Å; F252-P254 HydrophobicContact CD1-CB 3.86Å; F252-P254 HydrophobicContact CD1-CG 4.18Å; F252-P254 HydrophobicContact CE1-CB 3.93Å; F252-L373 HydrophobicContact CB-CD2 4.26Å; F252-L373 HydrophobicContact CD2-CD2 4.25Å
253Q97.3Very high98.4Very high89 Ų8920.2 Ų20.242%0.41611%0.109SC..  trans46.560178.5-59.3176.213.800112.8R169 M249 E250R169-Q253 VanDerWaalsContact CZ-O 3.28Å; R169-Q253 PolarHBondContact NE-O 2.68Å; R169-Q253 PolarHBondContact NH2-O 3.24Å; M249-Q253 WeakPolarHBondContact O-CA 3.47Å; M249-Q253 PolarHBondContact O-N 3.13Å; M249-Q253 VanDerWaalsContact O-N 3.09Å; E250-Q253 WeakPolarHBondContact O-CG 3.38Å; E250-Q253 PolarHBondContact O-NE2 3.11Å
254P98.1Very high98.4Very high11 Ų1118.2 Ų18.27%0.07110%0.096CC..  trans-66.1158.5179.329.8-34.8000111.7L171 M249 F252 L293L171-P254 HydrophobicContact CB-CB 3.58Å; L171-P254 HydrophobicContact CB-CG 3.72Å; L171-P254 HydrophobicContact CD2-CG 3.96Å; L171-P254 HydrophobicContact CG-CG 4.49Å; M249-P254 HydrophobicContact SD-CG 3.58Å; M249-P254 VanDerWaalsContact SD-CG 3.58Å; F252-P254 HydrophobicContact CD1-CB 3.86Å; F252-P254 HydrophobicContact CD1-CG 4.18Å; F252-P254 HydrophobicContact CE1-CB 3.93Å; P254-L293 HydrophobicContact CB-CD1 4.41Å; P254-L293 HydrophobicContact CG-CD1 3.82Å; P254-L293 WeakPolarHBondContact O-CD1 3.5Å
255S98.3Very high98.4Very high40 Ų4018.1 Ų18.128%0.2810%0.096SC..SBendtrans-109.3-6.4172.856.40000113.7H167 R169 P294H167-S255 VanDerWaalsContact CB-OG 3.31Å; H167-S255 WeakPolarHBondContact CB-OG 3.42Å; H167-S255 PolarHBondContact CE1-O 2.69Å; H167-S255 PolarHBondContact ND1-O 3Å; H167-S255 PolarHBondContact ND1-OG 2.93Å; R169-S255 PolarHBondContact O-N 3.38Å; R169-S255 PolarHBondContact O-OG 3.27Å; S255-P294 WeakPolarHBondContact O-CD 3.49Å
256A98.8Very high98.4Very high1 Ų118.2 Ų18.21%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-151.8151.8171.500000109.3L163 H167 L171 P294L163-A256 HydrophobicContact CD1-CB 4.46Å; L163-A256 HydrophobicContact CD2-CB 4.43Å; H167-A256 HydrophobicContact CB-CB 4.26Å; L171-A256 PolarHBondContact N-O 3.24Å; A256-P294 WeakPolarHBondContact CA-O 3.3Å; A256-P294 HydrophobicContact CB-CB 4.36Å
257V98.9Very high98.4Very high2 Ų216.1 Ų16.11%0.0128%0.082CC..EExtended strand (participates in β ladder)trans-125.4135.8-179-176.30000110L171 I173 M249 V288 L293 P294 M295 L296L171-V257 HydrophobicContact CB-CG2 4.44Å; L171-V257 HydrophobicContact CD2-CG2 4.47Å; L171-V257 CarbonylContact O-C 3.5Å; L171-V257 WeakPolarHBondContact O-CA 3.44Å; I173-V257 HydrophobicContact CD1-CG1 3.68Å; I173-V257 HydrophobicContact CG1-CG1 4.23Å; M249-V257 HydrophobicContact CE-CG2 4.06Å; V257-V288 HydrophobicContact CG1-CG1 3.88Å; V257-L293 HydrophobicContact CG2-CB 4.12Å; V257-L293 HydrophobicContact CG2-CD1 3.85Å; V257-P294 PolarHBondContact N-O 3.28Å; V257-M295 CarbonylContact O-C 3.59Å; V257-M295 WeakPolarHBondContact O-CA 3.4Å; V257-L296 PolarHBondContact O-N 3.18Å
258V98.9Very high98.3Very high0 Ų017.1 Ų17.10%010%0.101CC..EExtended strand (participates in β ladder)trans-113.7118.2165.8-176.70000107.3I156 I160 L163 V170 L171 Y172 I173 L296 L298I156-V258 HydrophobicContact CG2-CG1 4.01Å; I160-V258 HydrophobicContact CG1-CB 4.47Å; I160-V258 HydrophobicContact CG1-CG2 3.85Å; L163-V258 HydrophobicContact CD1-CG2 3.51Å; V170-V258 HydrophobicContact CG1-CG2 4.15Å; L171-V258 PolarHBondContact O-N 2.97Å; Y172-V258 WeakPolarHBondContact CA-O 3.47Å; Y172-V258 HydrophobicContact CD2-CB 4.09Å; Y172-V258 HydrophobicContact CD2-CG1 4.03Å; Y172-V258 HydrophobicContact CE2-CG1 4.34Å; I173-V258 PolarHBondContact N-O 3.47Å; V258-L296 CarbonylContact C-O 3.58Å; V258-L296 WeakPolarHBondContact CA-O 3.46Å; V258-L296 HydrophobicContact CG1-CB 4.37Å; V258-L296 HydrophobicContact CG1-CD2 4.23Å; V258-L296 HydrophobicContact CG1-CG 4.3Å; V258-L296 HydrophobicContact CG2-CB 4.18Å; V258-L296 HydrophobicContact CG2-CD2 4.29Å; V258-L298 HydrophobicContact CG1-CD1 3.84Å; V258-L298 HydrophobicContact CG1-CG 4.37Å
259L98.9Very high98.3Very high0 Ų018 Ų180%011%0.106CC..EExtended strand (participates in β ladder)trans-110.5113177.117865.3000108.7I173 I175 V285 V288 M295 L296 M297 L298I173-L259 HydrophobicContact CB-CD1 3.66Å; I173-L259 HydrophobicContact CG2-CD1 3.68Å; I173-L259 WeakPolarHBondContact O-CA 3.42Å; I175-L259 HydrophobicContact CG2-CD1 4.44Å; L259-V285 HydrophobicContact CD2-CB 4.33Å; L259-V285 HydrophobicContact CD2-CG2 3.8Å; L259-V288 HydrophobicContact CD1-CG2 4.49Å; L259-V288 HydrophobicContact CD2-CG2 4.13Å; L259-M295 HydrophobicContact CB-CE 3.81Å; L259-M295 HydrophobicContact CD2-CE 3.35Å; L259-M295 HydrophobicContact CG-CE 4.23Å; L259-L296 PolarHBondContact N-O 2.86Å; L259-M297 WeakPolarHBondContact O-CA 3.48Å; L259-L298 PolarHBondContact O-N 2.79Å
260Q98.9Very high98.3Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-83122.2168.7-168.9-82.611.500107.4G138 I156 Y172 I173 D174 I175 D176 G299G138-Q260 PolarHBondContact O-NE2 2.9Å; I156-Q260 HydrophobicContact CD1-CB 4.47Å; I156-Q260 HydrophobicContact CD1-CG 4.02Å; Y172-Q260 HydrophobicContact CE2-CB 3.9Å; Y172-Q260 WeakPolarHBondContact OH-CB 3.33Å; I173-Q260 PolarHBondContact O-N 3.43Å; D174-Q260 PolarHBondContact OD1-OE1 2.9Å; I175-Q260 WeakPolarHBondContact CG1-O 3.39Å; I175-Q260 PolarHBondContact N-O 2.82Å; D176-Q260 PolarHBondContact OD2-NE2 3.4Å; Q260-G299 WeakPolarHBondContact CG-O 3.49Å
261C98.9Very high98.3Very high0 Ų023 Ų230%012%0.124CC..  trans-106.755.4-176.4-58.40000111.3W135 I175 S263 L298 G299 W312 E315W135-C261 HydrophobicContact CH2-CB 4.46Å; W135-C261 HydrophobicContact CZ3-CB 3.9Å; I175-C261 HydrophobicContact CD1-CB 4.49Å; C261-S263 PolarHBondContact O-N 2.8Å; C261-L298 WeakPolarHBondContact CB-O 3.29Å; C261-L298 PolarHBondContact N-O 3.17Å; C261-G299 CarbonylContact C-O 3.58Å; C261-G299 PolarHBondContact N-O 2.84Å; C261-G299 VanDerWaalsContact N-O 3.12Å; C261-W312 PolarHBondContact O-NE1 2.78Å; C261-E315 WeakPolarHBondContact CB-OE2 3.42Å
262G98.8Very high98.4Very high0 Ų022.7 Ų22.70%013%0.126CC..  trans-56.5116.2177.500000111.9D176 D264 S265 H281 G299D176-G262 WeakPolarHBondContact OD2-CA 3.42Å; G262-D264 VanDerWaalsContact C-N 3.34Å; G262-D264 PolarHBondContact O-N 2.87Å; G262-S265 PolarHBondContact O-OG 3.36Å; G262-S265 VanDerWaalsContact O-OG 3.09Å; G262-H281 PolarHBondContact O-NE2 3.08Å; G262-H281 VanDerWaalsContact O-NE2 3.13Å; G262-G299 PolarHBondContact N-O 3.46Å
263S98.8Very high98.4Very high1 Ų123.7 Ų23.71%0.00713%0.133CC..G310 helixtrans-90.86.2-168.7179.40000113.5C261 S265 L266 G301C261-S263 PolarHBondContact O-N 2.8Å; S263-S265 VanDerWaalsContact C-N 3.3Å; S263-L266 WeakPolarHBondContact O-CB 3.42Å; S263-L266 WeakPolarHBondContact O-CG 3.33Å; S263-L266 WeakPolarHBondContact OG-CD1 3.28Å; S263-G301 PolarHBondContact N-O 3.13Å
264D98.7Very high98.5Very high0 Ų019.7 Ų19.70%011%0.114CC..G310 helixtrans-82.1-7.1173.351.811.1000113.5D176 I177 H178 G262 L266 G272 G301 Y303D176-D264 VanDerWaalsContact CG-OD1 3.26Å; D176-D264 VanDerWaalsContact OD1-OD1 3.08Å; I177-D264 HydrophobicContact CG2-CB 3.97Å; I177-D264 VanDerWaalsContact CG2-CG 3.42Å; I177-D264 WeakPolarHBondContact CG2-OD1 3.19Å; I177-D264 PolarHBondContact N-OD1 3.44Å; H178-D264 IonicContact CE1-OD2 2.62Å; H178-D264 PolarHBondContact CE1-OD2 3.39Å; H178-D264 IonicContact ND1-OD2 2.73Å; H178-D264 PolarHBondContact ND1-OD2 2.95Å; H178-D264 VanDerWaalsContact ND1-OD2 3.08Å; G262-D264 VanDerWaalsContact C-N 3.34Å; G262-D264 PolarHBondContact O-N 2.87Å; D264-L266 PolarHBondContact O-N 3.11Å; D264-G272 WeakPolarHBondContact O-CA 3.2Å; D264-G301 WeakPolarHBondContact OD2-CA 3.28Å; D264-Y303 HydrophobicContact CB-CD2 3.84Å; D264-Y303 HydrophobicContact CB-CE2 3.72Å; D264-Y303 VanDerWaalsContact OD2-CE2 3.26Å; D264-Y303 WeakPolarHBondContact OD2-CE2 3.47Å
265S98.8Very high98.5Very high0 Ų019.6 Ų19.60%011%0.113CC..G310 helixtrans-72.9-5.7166.161.60000113.3I175 G262 S263 F274 L276 H281I175-S265 WeakPolarHBondContact O-CB 3.35Å; I175-S265 PolarHBondContact O-OG 3.02Å; I175-S265 VanDerWaalsContact O-OG 3.13Å; G262-S265 PolarHBondContact O-OG 3.36Å; G262-S265 VanDerWaalsContact O-OG 3.09Å; S263-S265 VanDerWaalsContact C-N 3.3Å; S265-F274 WeakPolarHBondContact O-CB 3.46Å; S265-L276 WeakPolarHBondContact O-CB 3.43Å; S265-L276 WeakPolarHBondContact O-CG 3.23Å; S265-H281 PolarHBondContact OG-CD2 2.95Å; S265-H281 PolarHBondContact OG-NE2 2.95Å
266L98.8Very high98.5Very high1 Ų117.7 Ų17.71%0.00510%0.1CC..BIsolated β-bridgetrans-75.3152177.1-66.6179.7000113.7S263 D264 G268 D269 L276 I278 H281 N307 C311 I345S263-L266 WeakPolarHBondContact O-CB 3.42Å; S263-L266 WeakPolarHBondContact O-CG 3.33Å; S263-L266 WeakPolarHBondContact OG-CD1 3.28Å; D264-L266 PolarHBondContact O-N 3.11Å; L266-G268 PolarHBondContact O-N 2.86Å; L266-D269 WeakPolarHBondContact O-CB 3.44Å; L266-D269 PolarHBondContact O-N 3.39Å; L266-L276 HydrophobicContact CD2-CB 4.43Å; L266-I278 HydrophobicContact CD1-CG1 4.27Å; L266-I278 HydrophobicContact CD2-CG1 4.41Å; L266-H281 HydrophobicContact CD2-CB 3.82Å; L266-N307 HydrophobicContact CD1-CB 4.23Å; L266-C311 HydrophobicContact CD1-CB 3.75Å; L266-I345 HydrophobicContact CB-CD1 4.43Å
267S98.7Very high98.5Very high8 Ų818.1 Ų18.16%0.05610%0.102CC..THydrogen-bonded Turntrans-55132.5168.1176.10000111.9D269 N275 L276 N307 S348S267-D269 VanDerWaalsContact C-N 3.28Å; S267-D269 PolarHBondContact O-N 2.58Å; S267-N275 PolarHBondContact OG-OD1 2.82Å; S267-N275 VanDerWaalsContact OG-OD1 3.11Å; S267-L276 WeakPolarHBondContact CB-O 3.39Å; S267-L276 PolarHBondContact N-O 2.99Å; S267-N307 PolarHBondContact O-ND2 2.86Å; S267-S348 PolarHBondContact OG-N 3.46Å
268G97.2Very high98.5Very high53 Ų5318 Ų1855%0.54610%0.102SC..THydrogen-bonded Turntrans71.121.7176.600000114L266 T304L266-G268 PolarHBondContact O-N 2.86Å; G268-T304 PolarHBondContact O-OG1 3.03Å
269D98.6Very high98.5Very high17 Ų1723.2 Ų23.29%0.09112%0.124CC..  trans-61.8155.4165.1-170.3-94.8000111.6L266 S267 L271 G272 Y303 T304L266-D269 WeakPolarHBondContact O-CB 3.44Å; L266-D269 PolarHBondContact O-N 3.39Å; S267-D269 VanDerWaalsContact C-N 3.28Å; S267-D269 PolarHBondContact O-N 2.58Å; D269-L271 PolarHBondContact OD1-N 3.44Å; D269-G272 PolarHBondContact OD1-N 3.04Å; D269-Y303 WeakPolarHBondContact OD1-CD2 3.46Å; D269-Y303 WeakPolarHBondContact OD2-CA 3.44Å; D269-Y303 PolarHBondContact OD2-N 3.41Å; D269-T304 WeakPolarHBondContact CA-OG1 3.36Å; D269-T304 PolarHBondContact OD2-N 2.93Å
270R98Very high98.5Very high165 Ų16523.7 Ų23.762%0.62313%0.129SC*.SBendtrans-78.7-26.6-178.3-60.7-173.775.6-159.61.7113.5Y303 T304R270-Y303 WeakPolarHBondContact CD-O 3.4Å; R270-T304 WeakPolarHBondContact CG-OG1 3.21Å; R270-T304 PolarHBondContact N-OG1 3.09Å
271L97.7Very high98.5Very high72 Ų7223.7 Ų23.738%0.37713%0.129SC..SBendtrans-115.1-34-179.8-58.4-172.9000111.7P29 F150 Y204 D269 Y303P29-L271 HydrophobicContact CB-CD1 4.04Å; P29-L271 HydrophobicContact CB-CG 4.49Å; P29-L271 HydrophobicContact CG-CD1 4.01Å; F150-L271 HydrophobicContact CE2-CD1 4.11Å; F150-L271 HydrophobicContact CZ-CD1 4.38Å; Y204-L271 PolarHBondContact OH-O 2.79Å; D269-L271 PolarHBondContact OD1-N 3.44Å; L271-Y303 HydrophobicContact CB-CD2 3.67Å; L271-Y303 HydrophobicContact CB-CE2 4.03Å; L271-Y303 HydrophobicContact CB-CG 4.38Å; L271-Y303 HydrophobicContact CD1-CD1 4Å; L271-Y303 HydrophobicContact CD1-CD2 3.59Å; L271-Y303 HydrophobicContact CD1-CE1 4Å; L271-Y303 HydrophobicContact CD1-CE2 3.61Å; L271-Y303 HydrophobicContact CD1-CG 3.79Å; L271-Y303 HydrophobicContact CG-CD2 3.65Å; L271-Y303 HydrophobicContact CG-CE2 4.12Å; L271-Y303 HydrophobicContact CG-CG 3.88Å
272G97.7Very high98.5Very high13 Ų1323.8 Ų23.813%0.13413%0.13CC..  trans-72.1153.9177.500000113.6D264 D269D264-G272 WeakPolarHBondContact O-CA 3.2Å; D269-G272 PolarHBondContact OD1-N 3.04Å
273C98.1Very high98.5Very high25 Ų2527.5 Ų27.517%0.16915%0.146CC..  trans-134.132.5179.457.30000112.7K200 D230 G231 M350K200-C273 WeakPolarHBondContact CD-SG 3.13Å; K200-C273 VanDerWaalsContact CE-SG 3.54Å; D230-C273 WeakPolarHBondContact CA-O 3.42Å; D230-C273 PolarHBondContact OD1-SG 3.42Å; G231-C273 PolarHBondContact N-O 3.49Å; C273-M350 HydrophobicContact CB-CE 4.13Å
274F98.7Very high98.5Very high4 Ų427.6 Ų27.62%0.01815%0.147CC..  trans-92.2173.3164.6-79.75000110.9I177 K200 L228 I232 Y237 S265I177-F274 HydrophobicContact CD1-CB 4.09Å; I177-F274 HydrophobicContact CD1-CD1 3.7Å; I177-F274 HydrophobicContact CD1-CD2 4.21Å; I177-F274 HydrophobicContact CD1-CE1 4.16Å; I177-F274 HydrophobicContact CD1-CG 3.72Å; I177-F274 HydrophobicContact CG1-CD1 3.97Å; I177-F274 HydrophobicContact CG1-CD2 3.92Å; I177-F274 HydrophobicContact CG1-CE1 3.99Å; I177-F274 HydrophobicContact CG1-CE2 3.92Å; I177-F274 HydrophobicContact CG1-CG 3.93Å; I177-F274 HydrophobicContact CG1-CZ 3.94Å; K200-F274 HydrophobicContact CB-CE1 3.99Å; K200-F274 HydrophobicContact CB-CZ 4.32Å; L228-F274 HydrophobicContact CB-CE1 4.08Å; L228-F274 HydrophobicContact CB-CZ 3.73Å; L228-F274 HydrophobicContact CD1-CE2 3.96Å; L228-F274 HydrophobicContact CD1-CZ 3.65Å; L228-F274 HydrophobicContact CG-CZ 4.33Å; I232-F274 HydrophobicContact CG2-CB 4.05Å; I232-F274 HydrophobicContact CG2-CD1 3.72Å; I232-F274 HydrophobicContact CG2-CD2 3.53Å; I232-F274 HydrophobicContact CG2-CE1 3.99Å; I232-F274 HydrophobicContact CG2-CE2 3.84Å; I232-F274 HydrophobicContact CG2-CG 3.49Å; I232-F274 VanDerWaalsContact CG2-CG 3.49Å; I232-F274 HydrophobicContact CG2-CZ 4.06Å; Y237-F274 HydrophobicContact CE2-CE2 4.24Å; S265-F274 WeakPolarHBondContact O-CB 3.46Å
275N98.7Very high98.5Very high9 Ų927.6 Ų27.65%0.04815%0.147CC..  trans-127.528-176-156.728.7000112.8I232 S267 S348I232-N275 CarbonylContact O-C 3.43Å; I232-N275 WeakPolarHBondContact O-CA 3.31Å; I232-N275 WeakPolarHBondContact O-CB 3.23Å; I232-N275 PolarHBondContact O-N 3.22Å; S267-N275 PolarHBondContact OG-OD1 2.82Å; S267-N275 VanDerWaalsContact OG-OD1 3.11Å; N275-S348 PolarHBondContact ND2-O 3.04Å; N275-S348 WeakPolarHBondContact OD1-CB 3.28Å; N275-S348 PolarHBondContact OD1-N 2.93Å; N275-S348 PolarHBondContact OD1-OG 3.37Å
276L98.9Very high98.5Very high0 Ų032.1 Ų32.10%017%0.168CC..BIsolated β-bridgetrans-72.4142.1-179.1-57.9-178.9000112I232 D234 Y237 S265 L266 S267I232-L276 HydrophobicContact CG2-CD2 4.34Å; D234-L276 VanDerWaalsContact OD1-CA 3.3Å; D234-L276 WeakPolarHBondContact OD1-CA 3.26Å; Y237-L276 HydrophobicContact CD2-CD1 3.88Å; Y237-L276 HydrophobicContact CD2-CD2 4.03Å; Y237-L276 HydrophobicContact CD2-CG 4.48Å; Y237-L276 HydrophobicContact CE2-CD1 4.02Å; Y237-L276 HydrophobicContact CG-CD1 4.2Å; Y237-L276 HydrophobicContact CG-CD2 3.99Å; S265-L276 WeakPolarHBondContact O-CB 3.43Å; S265-L276 WeakPolarHBondContact O-CG 3.23Å; L266-L276 HydrophobicContact CD2-CB 4.43Å; S267-L276 WeakPolarHBondContact CB-O 3.39Å; S267-L276 PolarHBondContact N-O 2.99Å
277T98.8Very high98.5Very high10 Ų1033.6 Ų33.66%0.06117%0.174CC..  trans-87.8167.3165.879.30000110.6D234 K279 G280 H281 P347D234-T277 PolarHBondContact OD1-N 3.47Å; D234-T277 WeakPolarHBondContact OD2-CB 3.26Å; D234-T277 VanDerWaalsContact OD2-CG2 3.27Å; D234-T277 WeakPolarHBondContact OD2-CG2 3.43Å; D234-T277 PolarHBondContact OD2-OG1 3.11Å; T277-K279 PolarHBondContact O-N 3.32Å; T277-K279 PolarHBondContact OG1-N 3.22Å; T277-G280 PolarHBondContact O-N 3.47Å; T277-G280 PolarHBondContact OG1-N 3.05Å; T277-H281 WeakPolarHBondContact O-CB 3.42Å; T277-H281 PolarHBondContact O-N 2.7Å; T277-P347 HydrophobicContact CG2-CB 4.24Å; T277-P347 HydrophobicContact CG2-CG 4.29Å
278I98.8Very high98.5Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-58.3-31.7172.6-68.1164.3000111.4L266 A282 R310 C311 Y314 L343 I345L266-I278 HydrophobicContact CD1-CG1 4.27Å; L266-I278 HydrophobicContact CD2-CG1 4.41Å; I278-A282 WeakPolarHBondContact O-CB 3.45Å; I278-A282 PolarHBondContact O-N 3.46Å; I278-R310 HydrophobicContact CD1-CB 3.36Å; I278-R310 HydrophobicContact CD1-CG 4.39Å; I278-C311 HydrophobicContact CG1-CB 4.16Å; I278-Y314 HydrophobicContact CG2-CD1 3.56Å; I278-Y314 HydrophobicContact CG2-CE1 4.49Å; I278-Y314 HydrophobicContact CG2-CG 3.84Å; I278-L343 WeakPolarHBondContact CD1-O 3.08Å; I278-I345 HydrophobicContact CD1-CG1 4.23Å; I278-I345 HydrophobicContact CD1-CG2 4.12Å; I278-I345 HydrophobicContact CG1-CD1 4.25Å; I278-I345 HydrophobicContact CG1-CG1 4.11Å
279K98.6Very high98.6Very high109 Ų10931.3 Ų31.347%0.47415%0.149SC..Hα-helixtrans-71.1-47.2177.8-70.2-174.3176.8-175.10111.2T277 H281 A282 K283 Y314 H344T277-K279 PolarHBondContact O-N 3.32Å; T277-K279 PolarHBondContact OG1-N 3.22Å; K279-H281 VanDerWaalsContact C-N 3.34Å; K279-A282 PolarHBondContact O-N 3.08Å; K279-K283 VanDerWaalsContact O-CG 3.26Å; K279-K283 WeakPolarHBondContact O-CG 3.27Å; K279-K283 PolarHBondContact O-N 3.47Å; K279-Y314 HydrophobicContact CG-CE1 4.49Å; K279-H344 WeakPolarHBondContact CE-CE1 3.44Å; K279-H344 WeakPolarHBondContact CE-NE2 3.36Å
280G98.6Very high98.5Very high10 Ų1033.5 Ų33.510%0.10317%0.166CC..Hα-helixtrans-61.5-41.9176.500000112.5D234 T277 K283D234-G280 WeakPolarHBondContact OD1-CA 3.46Å; T277-G280 PolarHBondContact O-N 3.47Å; T277-G280 PolarHBondContact OG1-N 3.05Å; G280-K283 WeakPolarHBondContact O-CB 3.35Å; G280-K283 PolarHBondContact O-N 2.92Å
281H98.9Very high98.5Very high1 Ų128.9 Ų28.91%0.00515%0.15CC..Hα-helixtrans-61.5-51.2175-164.9-89000111.6I175 G262 S265 L266 T277 K279 K283 C284 C311 E315I175-H281 WeakPolarHBondContact CD1-CE1 3.44Å; I175-H281 WeakPolarHBondContact CD1-NE2 3.37Å; G262-H281 PolarHBondContact O-NE2 3.08Å; G262-H281 VanDerWaalsContact O-NE2 3.13Å; S265-H281 PolarHBondContact OG-CD2 2.95Å; S265-H281 PolarHBondContact OG-NE2 2.95Å; L266-H281 HydrophobicContact CD2-CB 3.82Å; T277-H281 WeakPolarHBondContact O-CB 3.42Å; T277-H281 PolarHBondContact O-N 2.7Å; K279-H281 VanDerWaalsContact C-N 3.34Å; H281-K283 VanDerWaalsContact C-N 3.25Å; H281-K283 PolarHBondContact O-N 2.86Å; H281-C284 WeakPolarHBondContact O-CB 3.33Å; H281-C284 PolarHBondContact O-N 3.39Å; H281-C284 PolarHBondContact O-SG 3.42Å; H281-C311 PolarHBondContact ND1-SG 3.36Å; H281-E315 IonicContact CE1-OE1 2.99Å; H281-E315 PolarHBondContact CE1-OE1 3.17Å; H281-E315 VanDerWaalsContact CE1-OE1 3.27Å; H281-E315 IonicContact CG-OE1 2.79Å; H281-E315 IonicContact ND1-OE1 3.09Å; H281-E315 PolarHBondContact ND1-OE1 3.02Å
282A98.8Very high98.5Very high2 Ų231.1 Ų31.12%0.01716%0.162CC..Hα-helixtrans-68.3-18.7-179.600000114.3I278 K279 C284 V285 E286 Y314 E315 V318I278-A282 WeakPolarHBondContact O-CB 3.45Å; I278-A282 PolarHBondContact O-N 3.46Å; K279-A282 PolarHBondContact O-N 3.08Å; A282-C284 PolarHBondContact O-N 3.44Å; A282-V285 WeakPolarHBondContact O-CB 3.3Å; A282-V285 PolarHBondContact O-N 2.69Å; A282-E286 PolarHBondContact O-N 3.45Å; A282-Y314 HydrophobicContact CB-CD1 3.58Å; A282-Y314 HydrophobicContact CB-CE1 3.72Å; A282-E315 HydrophobicContact CB-CG 3.86Å; A282-V318 HydrophobicContact CB-CG2 4.23Å
283K98.8Very high98.6Very high78 Ų7832.5 Ų32.534%0.33917%0.166SC..Hα-helixtrans-60.4-28.3169.3-78.1-79.2165.7-159.40111.9K279 G280 H281 E286 F287K279-K283 VanDerWaalsContact O-CG 3.26Å; K279-K283 WeakPolarHBondContact O-CG 3.27Å; K279-K283 PolarHBondContact O-N 3.47Å; G280-K283 WeakPolarHBondContact O-CB 3.35Å; G280-K283 PolarHBondContact O-N 2.92Å; H281-K283 VanDerWaalsContact C-N 3.25Å; H281-K283 PolarHBondContact O-N 2.86Å; K283-E286 WeakPolarHBondContact CD-OE2 3.39Å; K283-E286 WeakPolarHBondContact CE-OE2 3.37Å; K283-E286 IonicContact NZ-OE1 3.93Å; K283-E286 IonicContact NZ-OE2 2.86Å; K283-E286 PolarHBondContact NZ-OE2 3.22Å; K283-F287 VanDerWaalsContact O-CB 3.25Å; K283-F287 WeakPolarHBondContact O-CB 3.16Å; K283-F287 PolarHBondContact O-N 2.93Å
284C98.8Very high98.6Very high3 Ų333.1 Ų33.12%0.0217%0.17CC..Hα-helixtrans-65.2-51.6173-56.80000110.2I175 F241 H281 A282 E286 F287 V288I175-C284 HydrophobicContact CD1-CB 4.04Å; I175-C284 HydrophobicContact CG2-CB 4.38Å; F241-C284 HydrophobicContact CD1-CB 4.26Å; F241-C284 HydrophobicContact CE1-CB 3.74Å; F241-C284 HydrophobicContact CE2-CB 4.11Å; F241-C284 HydrophobicContact CZ-CB 3.65Å; H281-C284 WeakPolarHBondContact O-CB 3.33Å; H281-C284 PolarHBondContact O-N 3.39Å; H281-C284 PolarHBondContact O-SG 3.42Å; A282-C284 PolarHBondContact O-N 3.44Å; C284-E286 PolarHBondContact O-N 2.86Å; C284-F287 PolarHBondContact O-N 3.04Å; C284-V288 WeakPolarHBondContact O-CG2 3.42Å; C284-V288 PolarHBondContact O-N 3.18Å
285V98.8Very high98.6Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-56.4-50.6176.5-179.90000111L259 A282 F287 V288 K289 M295 M297 E315 V318L259-V285 HydrophobicContact CD2-CB 4.33Å; L259-V285 HydrophobicContact CD2-CG2 3.8Å; A282-V285 WeakPolarHBondContact O-CB 3.3Å; A282-V285 PolarHBondContact O-N 2.69Å; V285-F287 VanDerWaalsContact C-N 3.27Å; V285-F287 PolarHBondContact O-N 2.91Å; V285-V288 PolarHBondContact O-N 3.21Å; V285-K289 VanDerWaalsContact O-CB 3.3Å; V285-K289 WeakPolarHBondContact O-CB 3.46Å; V285-K289 PolarHBondContact O-N 3.05Å; V285-M295 HydrophobicContact CG1-CE 4.29Å; V285-M297 HydrophobicContact CG1-CE 3.52Å; V285-M297 HydrophobicContact CG1-SD 3.95Å; V285-M297 HydrophobicContact CG2-CE 4.2Å; V285-E315 HydrophobicContact CG2-CB 4.3Å; V285-E315 HydrophobicContact CG2-CG 3.97Å; V285-E315 WeakPolarHBondContact CG2-OE1 3.46Å; V285-V318 HydrophobicContact CB-CG1 4.35Å; V285-V318 HydrophobicContact CG1-CG1 3.98Å
286E98.7Very high98.6Very high95 Ų9532.6 Ų32.644%0.44417%0.167SC..Hα-helixtrans-56.5-43178.1-174.6-175-146.400111.4A282 K283 C284 K289 S290 V318A282-E286 PolarHBondContact O-N 3.45Å; K283-E286 WeakPolarHBondContact CD-OE2 3.39Å; K283-E286 WeakPolarHBondContact CE-OE2 3.37Å; K283-E286 IonicContact NZ-OE1 3.93Å; K283-E286 IonicContact NZ-OE2 2.86Å; K283-E286 PolarHBondContact NZ-OE2 3.22Å; C284-E286 PolarHBondContact O-N 2.86Å; E286-K289 VanDerWaalsContact O-CB 3.3Å; E286-K289 WeakPolarHBondContact O-CB 3.18Å; E286-K289 PolarHBondContact O-N 3.38Å; E286-S290 PolarHBondContact O-N 3.09Å; E286-S290 VanDerWaalsContact O-N 3.14Å; E286-V318 HydrophobicContact CB-CG1 3.93Å
287F98.8Very high98.6Very high31 Ų3132.6 Ų32.614%0.13617%0.167CC..Hα-helixtrans-66.9-48.4-179.9-173-108.1000112.3F241 K242 M245 S246 K283 C284 V285 K289 S290 F291F241-F287 HydrophobicContact CD1-CD1 4.15Å; F241-F287 HydrophobicContact CE1-CB 4.29Å; F241-F287 AromaticContact CE1-CD1 3.9Å; F241-F287 HydrophobicContact CE1-CD1 3.9Å; K242-F287 HydrophobicContact CB-CD2 4.39Å; K242-F287 HydrophobicContact CB-CE1 4.25Å; K242-F287 HydrophobicContact CB-CE2 4.11Å; K242-F287 HydrophobicContact CB-CZ 4.04Å; K242-F287 HydrophobicContact CD-CD2 3.89Å; K242-F287 HydrophobicContact CD-CE2 4.14Å; K242-F287 HydrophobicContact CD-CG 4.4Å; K242-F287 HydrophobicContact CG-CB 4.44Å; K242-F287 HydrophobicContact CG-CD1 4.1Å; K242-F287 HydrophobicContact CG-CD2 3.7Å; K242-F287 HydrophobicContact CG-CE1 4.29Å; K242-F287 HydrophobicContact CG-CE2 3.91Å; K242-F287 HydrophobicContact CG-CG 3.8Å; K242-F287 HydrophobicContact CG-CZ 4.2Å; M245-F287 HydrophobicContact CB-CD1 4.19Å; M245-F287 HydrophobicContact CB-CE1 3.78Å; S246-F287 WeakPolarHBondContact OG-CZ 3.23Å; K283-F287 VanDerWaalsContact O-CB 3.25Å; K283-F287 WeakPolarHBondContact O-CB 3.16Å; K283-F287 PolarHBondContact O-N 2.93Å; C284-F287 PolarHBondContact O-N 3.04Å; V285-F287 VanDerWaalsContact C-N 3.27Å; V285-F287 PolarHBondContact O-N 2.91Å; F287-K289 VanDerWaalsContact C-N 3.31Å; F287-K289 PolarHBondContact O-N 3.15Å; F287-S290 WeakPolarHBondContact O-CB 3.24Å; F287-S290 PolarHBondContact O-N 2.68Å; F287-S290 VanDerWaalsContact O-N 3.07Å; F287-S290 PolarHBondContact O-OG 2.72Å; F287-F291 AromaticContact CD1-CE2 3.91Å; F287-F291 HydrophobicContact CD1-CE2 3.91Å; F287-F291 AromaticContact CE1-CE2 3.48Å; F287-F291 HydrophobicContact CE1-CE2 3.48Å; F287-F291 VanDerWaalsContact CE1-CE2 3.48Å; F287-F291 AromaticContact CE1-CZ 3.69Å; F287-F291 HydrophobicContact CE1-CZ 3.69Å; F287-F291 HydrophobicContact CE2-CE2 4.41Å; F287-F291 HydrophobicContact CE2-CZ 4.39Å; F287-F291 AromaticContact CZ-CE2 3.76Å; F287-F291 HydrophobicContact CZ-CE2 3.76Å; F287-F291 AromaticContact CZ-CZ 3.6Å; F287-F291 HydrophobicContact CZ-CZ 3.6Å; F287-F291 WeakPolarHBondContact O-CD2 3.21Å; F287-F291 WeakPolarHBondContact O-CE2 3.35Å
288V98.7Very high98.6Very high6 Ų632.1 Ų32.14%0.03617%0.165CC..Hα-helixtrans-69.4-32.2178.3128.10000111.6I173 F241 V257 L259 C284 V285 S290 F291 M295I173-V288 HydrophobicContact CD1-CB 4.05Å; I173-V288 HydrophobicContact CD1-CG1 4.18Å; I173-V288 HydrophobicContact CD1-CG2 3.83Å; F241-V288 HydrophobicContact CE1-CG2 4.25Å; F241-V288 HydrophobicContact CZ-CG2 4.01Å; V257-V288 HydrophobicContact CG1-CG1 3.88Å; L259-V288 HydrophobicContact CD1-CG2 4.49Å; L259-V288 HydrophobicContact CD2-CG2 4.13Å; C284-V288 WeakPolarHBondContact O-CG2 3.42Å; C284-V288 PolarHBondContact O-N 3.18Å; V285-V288 PolarHBondContact O-N 3.21Å; V288-S290 PolarHBondContact O-N 3.39Å; V288-F291 PolarHBondContact O-N 3.45Å; V288-M295 HydrophobicContact CG1-CE 3.44Å; V288-M295 VanDerWaalsContact CG1-CE 3.44Å; V288-M295 HydrophobicContact CG1-SD 3.76Å
289K98.3Very high98.6Very high8 Ų832.1 Ų32.14%0.03517%0.165CC..Hα-helixtrans-50.6-41.5167.7-112.2-170.8113.5-104.20111.2R9 I131 V285 E286 F287 F291 N292 M295 V318 A319 D321R9-K289 VanDerWaalsContact CZ-CE 3.5Å; R9-K289 VanDerWaalsContact CZ-CG 3.47Å; R9-K289 PolarHBondContact NH1-O 3.25Å; R9-K289 VanDerWaalsContact NH2-CB 3.34Å; R9-K289 VanDerWaalsContact NH2-CE 3.27Å; R9-K289 VanDerWaalsContact NH2-CG 3.33Å; R9-K289 PolarHBondContact NH2-O 3.38Å; I131-K289 HydrophobicContact CD1-CD 4.26Å; I131-K289 HydrophobicContact CD1-CG 4.05Å; V285-K289 VanDerWaalsContact O-CB 3.3Å; V285-K289 WeakPolarHBondContact O-CB 3.46Å; V285-K289 PolarHBondContact O-N 3.05Å; E286-K289 VanDerWaalsContact O-CB 3.3Å; E286-K289 WeakPolarHBondContact O-CB 3.18Å; E286-K289 PolarHBondContact O-N 3.38Å; F287-K289 VanDerWaalsContact C-N 3.31Å; F287-K289 PolarHBondContact O-N 3.15Å; K289-F291 PolarHBondContact O-N 3.14Å; K289-F291 VanDerWaalsContact O-N 3.1Å; K289-N292 PolarHBondContact O-N 2.88Å; K289-N292 VanDerWaalsContact O-N 3.13Å; K289-M295 HydrophobicContact CG-SD 4.31Å; K289-V318 HydrophobicContact CD-CG1 4.27Å; K289-V318 VanDerWaalsContact CD-O 3.25Å; K289-V318 WeakPolarHBondContact CD-O 3.37Å; K289-V318 WeakPolarHBondContact CE-O 3.23Å; K289-A319 WeakPolarHBondContact CE-O 3.38Å; K289-D321 IonicContact NZ-OD1 3.65Å; K289-D321 PolarHBondContact NZ-OD1 3.1Å; K289-D321 IonicContact NZ-OD2 3.89Å; K289-D321 PolarHBondContact NZ-OD2 2.96Å
290S98.2Very high98.6Very high63 Ų6327.2 Ų27.244%0.44115%0.145SC..THydrogen-bonded Turntrans-63.3-18.4-171.476.70000114.6E286 F287 V288 N292E286-S290 PolarHBondContact O-N 3.09Å; E286-S290 VanDerWaalsContact O-N 3.14Å; F287-S290 WeakPolarHBondContact O-CB 3.24Å; F287-S290 PolarHBondContact O-N 2.68Å; F287-S290 VanDerWaalsContact O-N 3.07Å; F287-S290 PolarHBondContact O-OG 2.72Å; V288-S290 PolarHBondContact O-N 3.39Å; S290-N292 VanDerWaalsContact C-N 3.29Å; S290-N292 PolarHBondContact O-N 2.97Å; S290-N292 PolarHBondContact O-ND2 2.86Å
291F98.1Very high98.6Very high68 Ų6827 Ų2730%0.29814%0.142SC..THydrogen-bonded Turntrans-79.9-5.8177.8-64-81.1000114.3M249 F287 V288 K289 L293M249-F291 HydrophobicContact CB-CD1 4.08Å; M249-F291 HydrophobicContact CB-CE1 3.8Å; M249-F291 HydrophobicContact CB-CZ 4.22Å; M249-F291 HydrophobicContact CE-CB 4.36Å; M249-F291 HydrophobicContact CE-CD2 3.76Å; M249-F291 HydrophobicContact CE-CE2 4.23Å; M249-F291 HydrophobicContact CE-CG 4.06Å; M249-F291 HydrophobicContact CG-CD1 3.83Å; M249-F291 HydrophobicContact CG-CD2 4.06Å; M249-F291 HydrophobicContact CG-CE1 3.69Å; M249-F291 HydrophobicContact CG-CE2 3.94Å; M249-F291 HydrophobicContact CG-CG 4.01Å; M249-F291 HydrophobicContact CG-CZ 3.75Å; M249-F291 HydrophobicContact SD-CD1 4.47Å; M249-F291 HydrophobicContact SD-CD2 4.44Å; M249-F291 HydrophobicContact SD-CG 4.25Å; F287-F291 AromaticContact CD1-CE2 3.91Å; F287-F291 HydrophobicContact CD1-CE2 3.91Å; F287-F291 AromaticContact CE1-CE2 3.48Å; F287-F291 HydrophobicContact CE1-CE2 3.48Å; F287-F291 VanDerWaalsContact CE1-CE2 3.48Å; F287-F291 AromaticContact CE1-CZ 3.69Å; F287-F291 HydrophobicContact CE1-CZ 3.69Å; F287-F291 HydrophobicContact CE2-CE2 4.41Å; F287-F291 HydrophobicContact CE2-CZ 4.39Å; F287-F291 AromaticContact CZ-CE2 3.76Å; F287-F291 HydrophobicContact CZ-CE2 3.76Å; F287-F291 AromaticContact CZ-CZ 3.6Å; F287-F291 HydrophobicContact CZ-CZ 3.6Å; F287-F291 WeakPolarHBondContact O-CD2 3.21Å; F287-F291 WeakPolarHBondContact O-CE2 3.35Å; V288-F291 PolarHBondContact O-N 3.45Å; K289-F291 PolarHBondContact O-N 3.14Å; K289-F291 VanDerWaalsContact O-N 3.1Å; F291-L293 VanDerWaalsContact C-N 3.32Å; F291-L293 PolarHBondContact O-N 3.01Å
292N97.8Very high98.5Very high118 Ų11826.9 Ų26.963%0.63114%0.142SC*.  trans5343.5174.2-54.3-52.2000114.3K289 S290K289-N292 PolarHBondContact O-N 2.88Å; K289-N292 VanDerWaalsContact O-N 3.13Å; S290-N292 VanDerWaalsContact C-N 3.29Å; S290-N292 PolarHBondContact O-N 2.97Å; S290-N292 PolarHBondContact O-ND2 2.86Å
293L98.1Very high98.5Very high42 Ų4227.3 Ų27.322%0.2214%0.143CC..  trans-101.4155.4170.5-66.9175.4000110.4M249 P254 V257 F291 M295M249-L293 HydrophobicContact SD-CD1 4.31Å; P254-L293 HydrophobicContact CB-CD1 4.41Å; P254-L293 HydrophobicContact CG-CD1 3.82Å; P254-L293 WeakPolarHBondContact O-CD1 3.5Å; V257-L293 HydrophobicContact CG2-CB 4.12Å; V257-L293 HydrophobicContact CG2-CD1 3.85Å; F291-L293 VanDerWaalsContact C-N 3.32Å; F291-L293 PolarHBondContact O-N 3.01Å; L293-M295 PolarHBondContact O-N 3.06Å
294P98.8Very high98.5Very high38 Ų3824.5 Ų24.525%0.24713%0.133CC..  trans-49.2123.2165.6-25.934.1000110.1L124 D130 S255 A256 V257L124-P294 HydrophobicContact CD2-CB 3.96Å; D130-P294 WeakPolarHBondContact O-CA 3.48Å; S255-P294 WeakPolarHBondContact O-CD 3.49Å; A256-P294 WeakPolarHBondContact CA-O 3.3Å; A256-P294 HydrophobicContact CB-CB 4.36Å; V257-P294 PolarHBondContact N-O 3.28Å
295M98.9Very high98.5Very high2 Ų225.7 Ų25.71%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-127.5123.4-169.4-175.3177.6179.800111.4D130 I131 A132 V257 L259 V285 V288 K289 L293 M297D130-M295 PolarHBondContact O-N 3.35Å; I131-M295 CarbonylContact C-O 3.53Å; I131-M295 VanDerWaalsContact CA-O 3.27Å; I131-M295 WeakPolarHBondContact CA-O 3.08Å; I131-M295 HydrophobicContact CG1-CB 4.29Å; A132-M295 PolarHBondContact N-O 2.95Å; V257-M295 CarbonylContact O-C 3.59Å; V257-M295 WeakPolarHBondContact O-CA 3.4Å; L259-M295 HydrophobicContact CB-CE 3.81Å; L259-M295 HydrophobicContact CD2-CE 3.35Å; L259-M295 HydrophobicContact CG-CE 4.23Å; V285-M295 HydrophobicContact CG1-CE 4.29Å; V288-M295 HydrophobicContact CG1-CE 3.44Å; V288-M295 VanDerWaalsContact CG1-CE 3.44Å; V288-M295 HydrophobicContact CG1-SD 3.76Å; K289-M295 HydrophobicContact CG-SD 4.31Å; L293-M295 PolarHBondContact O-N 3.06Å; M295-M297 HydrophobicContact CE-CG 3.63Å; M295-M297 HydrophobicContact CE-SD 4.04Å; M295-M297 HydrophobicContact CG-CG 4.26Å; M295-M297 HydrophobicContact SD-CG 4.33Å; M295-M297 HydrophobicContact SD-SD 4.47Å
296L98.9Very high98.5Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-101.2116.8169.3178.154000109.3S120 L124 A132 A159 V257 V258 L259 L298S120-L296 VanDerWaalsContact CB-CD1 3.42Å; L124-L296 HydrophobicContact CD1-CB 3.8Å; A132-L296 HydrophobicContact CB-CD1 4.16Å; A132-L296 CarbonylContact O-C 3.47Å; A132-L296 WeakPolarHBondContact O-CA 3.4Å; A132-L296 WeakPolarHBondContact O-CD1 3.49Å; A159-L296 HydrophobicContact CB-CD2 3.76Å; V257-L296 PolarHBondContact O-N 3.18Å; V258-L296 CarbonylContact C-O 3.58Å; V258-L296 WeakPolarHBondContact CA-O 3.46Å; V258-L296 HydrophobicContact CG1-CB 4.37Å; V258-L296 HydrophobicContact CG1-CD2 4.23Å; V258-L296 HydrophobicContact CG1-CG 4.3Å; V258-L296 HydrophobicContact CG2-CB 4.18Å; V258-L296 HydrophobicContact CG2-CD2 4.29Å; L259-L296 PolarHBondContact N-O 2.86Å; L296-L298 HydrophobicContact CD1-CD2 3.78Å; L296-L298 HydrophobicContact CD1-CG 4.45Å; L296-L298 HydrophobicContact CD2-CD1 4.39Å; L296-L298 HydrophobicContact CD2-CD2 4.14Å; L296-L298 HydrophobicContact CD2-CG 4.39Å; L296-L298 HydrophobicContact CG-CD1 4.47Å; L296-L298 HydrophobicContact CG-CD2 3.8Å; L296-L298 HydrophobicContact CG-CG 3.99Å
297M98.9Very high98.5Very high0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-98.7123.2173.8-70.1171.462.900109.7I131 A132 V133 N134 W135 L259 V285 M295 E315 A319I131-M297 HydrophobicContact CG2-CG 4.39Å; I131-M297 HydrophobicContact CG2-SD 3.87Å; A132-M297 PolarHBondContact O-N 3.04Å; V133-M297 WeakPolarHBondContact CA-O 3.21Å; V133-M297 HydrophobicContact CG1-CB 4.38Å; V133-M297 HydrophobicContact CG2-CB 4.18Å; V133-M297 HydrophobicContact CG2-SD 4.33Å; N134-M297 PolarHBondContact N-O 2.85Å; W135-M297 HydrophobicContact CH2-CB 4.35Å; W135-M297 HydrophobicContact CH2-CE 3.61Å; W135-M297 HydrophobicContact CZ2-CE 4.12Å; W135-M297 HydrophobicContact CZ3-CB 4.47Å; L259-M297 WeakPolarHBondContact O-CA 3.48Å; V285-M297 HydrophobicContact CG1-CE 3.52Å; V285-M297 HydrophobicContact CG1-SD 3.95Å; V285-M297 HydrophobicContact CG2-CE 4.2Å; M295-M297 HydrophobicContact CE-CG 3.63Å; M295-M297 HydrophobicContact CE-SD 4.04Å; M295-M297 HydrophobicContact CG-CG 4.26Å; M295-M297 HydrophobicContact SD-CG 4.33Å; M295-M297 HydrophobicContact SD-SD 4.47Å; M297-E315 HydrophobicContact CE-CB 4.16Å; M297-A319 HydrophobicContact CE-CB 4.36Å; M297-A319 HydrophobicContact SD-CB 3.89Å
298L99Very high98.5Very high0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-116.9161.1179.5-59.3-179.5000110.7S117 N134 W135 I156 V258 L259 C261 L296S117-L298 WeakPolarHBondContact OG-CD2 3.18Å; N134-L298 HydrophobicContact CB-CD2 3.93Å; N134-L298 WeakPolarHBondContact O-CA 3.37Å; W135-L298 WeakPolarHBondContact CZ3-O 3.44Å; I156-L298 HydrophobicContact CB-CD1 4.27Å; I156-L298 HydrophobicContact CD1-CD1 4.46Å; I156-L298 HydrophobicContact CG1-CD1 3.78Å; I156-L298 HydrophobicContact CG2-CD1 4.18Å; V258-L298 HydrophobicContact CG1-CD1 3.84Å; V258-L298 HydrophobicContact CG1-CG 4.37Å; L259-L298 PolarHBondContact O-N 2.79Å; C261-L298 WeakPolarHBondContact CB-O 3.29Å; C261-L298 PolarHBondContact N-O 3.17Å; L296-L298 HydrophobicContact CD1-CD2 3.78Å; L296-L298 HydrophobicContact CD1-CG 4.45Å; L296-L298 HydrophobicContact CD2-CD1 4.39Å; L296-L298 HydrophobicContact CD2-CD2 4.14Å; L296-L298 HydrophobicContact CD2-CG 4.39Å; L296-L298 HydrophobicContact CG-CD1 4.47Å; L296-L298 HydrophobicContact CG-CD2 3.8Å; L296-L298 HydrophobicContact CG-CG 3.99Å
299G98.8Very high98.5Very high0 Ų025 Ų250%013%0.131CC..  trans-71.7-131.1171.300000112.2N134 G137 Q260 C261 G262 W312N134-G299 PolarHBondContact O-N 3.42Å; G137-G299 CarbonylContact O-C 3.59Å; G137-G299 WeakPolarHBondContact O-CA 3.34Å; G137-G299 PolarHBondContact O-N 2.97Å; Q260-G299 WeakPolarHBondContact CG-O 3.49Å; C261-G299 CarbonylContact C-O 3.58Å; C261-G299 PolarHBondContact N-O 2.84Å; C261-G299 VanDerWaalsContact N-O 3.12Å; G262-G299 PolarHBondContact N-O 3.46Å; G299-W312 VanDerWaalsContact CA-CZ2 3.49Å
300G98.6Very high98.5Very high6 Ų624.9 Ų24.96%0.06213%0.131CC..  trans142.6-153.8-173.400000112.8R34 G137R34-G300 VanDerWaalsContact CZ-O 3.24Å; R34-G300 PolarHBondContact NH1-O 3.4Å; R34-G300 PolarHBondContact NH2-O 2.96Å; G137-G300 PolarHBondContact O-N 2.81Å
301G97.4Very high98.5Very high5 Ų521.9 Ų21.95%0.05211%0.11CC..  trans-60.6178172.600000114.1R34 D176 S263 D264R34-G301 PolarHBondContact NH1-O 3.33Å; R34-G301 VanDerWaalsContact NH1-O 3.14Å; D176-G301 WeakPolarHBondContact OD2-CA 3.47Å; D176-G301 PolarHBondContact OD2-N 3.11Å; S263-G301 PolarHBondContact N-O 3.13Å; D264-G301 WeakPolarHBondContact OD2-CA 3.28Å
302G98.3Very high98.6Very high0 Ų018.7 Ų18.70%010%0.096CC..  trans132.9111.9-179.800000112.4V308G302-V308 VanDerWaalsContact C-CG2 3.5Å
303Y98.5Very high98.6Very high11 Ų1113 Ų134%0.0437%0.066CC..SBendtrans-123.2-12.9-164.2-50.6-73.8000113P29 M30 F150 D264 D269 R270 L271 I305P29-Y303 HydrophobicContact CB-CD1 3.89Å; P29-Y303 HydrophobicContact CB-CG 4.41Å; M30-Y303 HydrophobicContact CE-CE1 4.18Å; F150-Y303 AromaticContact CD2-CE1 3.92Å; F150-Y303 HydrophobicContact CD2-CE1 3.92Å; F150-Y303 WeakPolarHBondContact CD2-OH 3.49Å; F150-Y303 AromaticContact CE2-CE1 3.74Å; F150-Y303 HydrophobicContact CE2-CE1 3.74Å; F150-Y303 AromaticContact CE2-CZ 3.84Å; D264-Y303 HydrophobicContact CB-CD2 3.84Å; D264-Y303 HydrophobicContact CB-CE2 3.72Å; D264-Y303 VanDerWaalsContact OD2-CE2 3.26Å; D264-Y303 WeakPolarHBondContact OD2-CE2 3.47Å; D269-Y303 WeakPolarHBondContact OD1-CD2 3.46Å; D269-Y303 WeakPolarHBondContact OD2-CA 3.44Å; D269-Y303 PolarHBondContact OD2-N 3.41Å; R270-Y303 WeakPolarHBondContact CD-O 3.4Å; L271-Y303 HydrophobicContact CB-CD2 3.67Å; L271-Y303 HydrophobicContact CB-CE2 4.03Å; L271-Y303 HydrophobicContact CB-CG 4.38Å; L271-Y303 HydrophobicContact CD1-CD1 4Å; L271-Y303 HydrophobicContact CD1-CD2 3.59Å; L271-Y303 HydrophobicContact CD1-CE1 4Å; L271-Y303 HydrophobicContact CD1-CE2 3.61Å; L271-Y303 HydrophobicContact CD1-CG 3.79Å; L271-Y303 HydrophobicContact CG-CD2 3.65Å; L271-Y303 HydrophobicContact CG-CE2 4.12Å; L271-Y303 HydrophobicContact CG-CG 3.88Å; Y303-I305 PolarHBondContact O-N 3.18Å
304T98.6Very high98.7Very high19 Ų1913.6 Ų13.612%0.1177%0.065CC..SBendtrans-87.881.3158.2-64.60000109.6G268 D269 R270 R306 N307 V308G268-T304 PolarHBondContact O-OG1 3.03Å; D269-T304 WeakPolarHBondContact CA-OG1 3.36Å; D269-T304 PolarHBondContact OD2-N 2.93Å; R270-T304 WeakPolarHBondContact CG-OG1 3.21Å; R270-T304 PolarHBondContact N-OG1 3.09Å; T304-R306 HydrophobicContact CG2-CG 3.9Å; T304-R306 PolarHBondContact O-N 3.49Å; T304-N307 HydrophobicContact CG2-CB 4.14Å; T304-N307 WeakPolarHBondContact O-CA 3.16Å; T304-N307 WeakPolarHBondContact O-CB 3.38Å; T304-N307 PolarHBondContact O-N 2.96Å; T304-V308 PolarHBondContact O-N 3.35Å
305I98.2Very high98.7Very high27 Ų2711.8 Ų11.814%0.1385%0.053CC..Hα-helixtrans-53-31.6-167.262.9175.6000115.8K31 R34 M37 Y303 N307 V308 A309 Y336K31-I305 HydrophobicContact CB-CG2 4.01Å; K31-I305 HydrophobicContact CD-CD1 4.48Å; K31-I305 HydrophobicContact CD-CG2 4.27Å; R34-I305 HydrophobicContact CB-CB 3.94Å; R34-I305 HydrophobicContact CB-CG2 3.9Å; M37-I305 HydrophobicContact SD-CB 4.34Å; M37-I305 HydrophobicContact SD-CD1 3.84Å; M37-I305 HydrophobicContact SD-CG1 4.11Å; Y303-I305 PolarHBondContact O-N 3.18Å; I305-N307 VanDerWaalsContact C-N 3.33Å; I305-N307 PolarHBondContact O-N 2.86Å; I305-V308 PolarHBondContact O-N 3.39Å; I305-A309 PolarHBondContact O-N 2.87Å; I305-Y336 HydrophobicContact CD1-CD1 4.33Å; I305-Y336 HydrophobicContact CD1-CE1 4.14Å
306R98.3Very high98.7Very high104 Ų10411.7 Ų11.739%0.3925%0.053SC..Hα-helixtrans-64.9-36.7174.862.5-178.7-179.3175.2-0112.1T304 R310 Y336 F337 G338T304-R306 HydrophobicContact CG2-CG 3.9Å; T304-R306 PolarHBondContact O-N 3.49Å; R306-R310 WeakPolarHBondContact O-CD 3.45Å; R306-R310 WeakPolarHBondContact O-CG 3.38Å; R306-R310 PolarHBondContact O-N 3.22Å; R306-Y336 WeakPolarHBondContact CD-O 3.34Å; R306-F337 HydrophobicContact CB-CD1 4.11Å; R306-F337 HydrophobicContact CB-CE1 4.17Å; R306-F337 WeakPolarHBondContact O-CE1 3.27Å; R306-G338 PolarHBondContact NH1-O 3.21Å
307N98.6Very high98.7Very high14 Ų1411.8 Ų11.88%0.0755%0.053CC..Hα-helixtrans-77.3-34.6177.9-67.6-3.5000110.9L266 S267 T304 I305 R310 C311L266-N307 HydrophobicContact CD1-CB 4.23Å; S267-N307 PolarHBondContact O-ND2 2.86Å; T304-N307 HydrophobicContact CG2-CB 4.14Å; T304-N307 WeakPolarHBondContact O-CA 3.16Å; T304-N307 WeakPolarHBondContact O-CB 3.38Å; T304-N307 PolarHBondContact O-N 2.96Å; I305-N307 VanDerWaalsContact C-N 3.33Å; I305-N307 PolarHBondContact O-N 2.86Å; N307-R310 PolarHBondContact O-N 2.91Å; N307-R310 PolarHBondContact OD1-NH1 3.18Å; N307-R310 VanDerWaalsContact OD1-NH1 3.14Å; N307-C311 VanDerWaalsContact O-CB 3.31Å; N307-C311 WeakPolarHBondContact O-CB 3.15Å; N307-C311 PolarHBondContact O-N 3.08Å
308V98.9Very high98.7Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-57.6-50.4171.4-178.60000110.8R34 G302 T304 I305 R310 C311 W312R34-V308 HydrophobicContact CB-CB 4.39Å; R34-V308 HydrophobicContact CB-CG1 4.21Å; R34-V308 HydrophobicContact CG-CG1 4.07Å; G302-V308 VanDerWaalsContact C-CG2 3.5Å; T304-V308 PolarHBondContact O-N 3.35Å; I305-V308 PolarHBondContact O-N 3.39Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 3.3Å; V308-C311 PolarHBondContact O-N 3.14Å; V308-C311 VanDerWaalsContact O-N 3.15Å; V308-W312 HydrophobicContact CG1-CD2 3.63Å; V308-W312 HydrophobicContact CG1-CE3 3.47Å; V308-W312 VanDerWaalsContact CG1-CE3 3.47Å; V308-W312 HydrophobicContact CG1-CG 4.48Å; V308-W312 HydrophobicContact CG1-CH2 3.78Å; V308-W312 HydrophobicContact CG1-CZ2 3.84Å; V308-W312 HydrophobicContact CG1-CZ3 3.55Å; V308-W312 PolarHBondContact O-N 3.36Å
309A98.8Very high98.6Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-59.4-41.917900000112M37 T38 L41 I305 T313 F337M37-A309 HydrophobicContact CB-CB 3.81Å; T38-A309 WeakPolarHBondContact OG1-CA 3.48Å; L41-A309 HydrophobicContact CD1-CB 3.97Å; I305-A309 PolarHBondContact O-N 2.87Å; A309-T313 WeakPolarHBondContact O-CB 3.45Å; A309-T313 PolarHBondContact O-N 2.55Å; A309-T313 PolarHBondContact O-OG1 2.89Å; A309-F337 HydrophobicContact CB-CE1 4.15Å; A309-F337 HydrophobicContact CB-CZ 4.1Å
310R98.9Very high98.6Very high6 Ų613 Ų132%0.0236%0.061CC..Hα-helixtrans-63.8-44.2174.7-69162.1160.2154.4-5.9112.4I278 R306 N307 V308 Y314 F337 D340 K342 L343I278-R310 HydrophobicContact CD1-CB 3.36Å; I278-R310 HydrophobicContact CD1-CG 4.39Å; R306-R310 WeakPolarHBondContact O-CD 3.45Å; R306-R310 WeakPolarHBondContact O-CG 3.38Å; R306-R310 PolarHBondContact O-N 3.22Å; N307-R310 PolarHBondContact O-N 2.91Å; N307-R310 PolarHBondContact OD1-NH1 3.18Å; N307-R310 VanDerWaalsContact OD1-NH1 3.14Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 3.3Å; R310-Y314 WeakPolarHBondContact O-CB 3.44Å; R310-Y314 PolarHBondContact O-N 2.99Å; R310-F337 HydrophobicContact CG-CD1 4.1Å; R310-F337 HydrophobicContact CG-CE1 4.04Å; R310-F337 PolarHBondContact NH2-O 3.22Å; R310-D340 IonicContact NH2-OD1 3.9Å; R310-D340 PolarHBondContact NH2-OD1 3.17Å; R310-D340 IonicContact NH2-OD2 3.26Å; R310-K342 VanDerWaalsContact CZ-O 3.24Å; R310-K342 PolarHBondContact NE-O 2.79Å; R310-K342 PolarHBondContact NH2-O 3.26Å; R310-L343 HydrophobicContact CB-CD1 3.97Å; R310-L343 WeakPolarHBondContact CB-O 3.43Å; R310-L343 VanDerWaalsContact CD-O 3.27Å; R310-L343 WeakPolarHBondContact CD-O 3.43Å; R310-L343 HydrophobicContact CG-CD1 4.23Å; R310-L343 WeakPolarHBondContact CG-O 3.34Å
311C98.9Very high98.5Very high0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-62.6-59.8-176.6-166.40000111.5L266 I278 H281 N307 V308 T313 Y314 E315L266-C311 HydrophobicContact CD1-CB 3.75Å; I278-C311 HydrophobicContact CG1-CB 4.16Å; H281-C311 PolarHBondContact ND1-SG 3.36Å; N307-C311 VanDerWaalsContact O-CB 3.31Å; N307-C311 WeakPolarHBondContact O-CB 3.15Å; N307-C311 PolarHBondContact O-N 3.08Å; V308-C311 PolarHBondContact O-N 3.14Å; V308-C311 VanDerWaalsContact O-N 3.15Å; C311-T313 VanDerWaalsContact C-N 3.26Å; C311-T313 PolarHBondContact O-N 2.78Å; C311-Y314 PolarHBondContact O-N 3.28Å; C311-E315 WeakPolarHBondContact O-CG 3.37Å; C311-E315 PolarHBondContact O-N 3.48Å
312W98.9Very high98.5Very high0 Ų017.8 Ų17.80%09%0.085CC..Hα-helixtrans-66.2-28.9-177.6-64.6-19.9000112.7R34 I35 T38 W135 C261 G299 V308 T316R34-W312 HydrophobicContact CG-CZ3 4.25Å; R34-W312 VanDerWaalsContact NH1-CZ2 3.34Å; I35-W312 HydrophobicContact CG1-CZ3 4.08Å; T38-W312 HydrophobicContact CG2-CB 3.6Å; T38-W312 HydrophobicContact CG2-CE3 4.44Å; W135-W312 HydrophobicContact CB-CD2 4.33Å; W135-W312 HydrophobicContact CB-CE3 3.8Å; W135-W312 HydrophobicContact CB-CZ3 3.95Å; W135-W312 HydrophobicContact CD2-CB 3.88Å; W135-W312 HydrophobicContact CD2-CD2 4.13Å; W135-W312 HydrophobicContact CD2-CE3 4.44Å; W135-W312 AromaticContact CD2-CG 3.9Å; W135-W312 HydrophobicContact CD2-CG 3.9Å; W135-W312 HydrophobicContact CE3-CB 4.32Å; W135-W312 AromaticContact CE3-CD1 3.93Å; W135-W312 HydrophobicContact CE3-CD2 4.07Å; W135-W312 AromaticContact CE3-CG 3.9Å; W135-W312 HydrophobicContact CE3-CG 3.9Å; W135-W312 HydrophobicContact CG-CB 4.2Å; W135-W312 HydrophobicContact CG-CD2 4.24Å; W135-W312 HydrophobicContact CG-CE3 4.08Å; W135-W312 HydrophobicContact CG-CG 4.34Å; W135-W312 HydrophobicContact CH2-CB 4.45Å; W135-W312 HydrophobicContact CH2-CG 4.45Å; W135-W312 HydrophobicContact CZ2-CB 4.04Å; W135-W312 HydrophobicContact CZ2-CG 4.48Å; W135-W312 WeakPolarHBondContact CZ2-O 3.49Å; W135-W312 AromaticContact CZ3-CD1 3.85Å; W135-W312 HydrophobicContact CZ3-CG 4.19Å; W135-W312 WeakPolarHBondContact O-CH2 3.38Å; C261-W312 PolarHBondContact O-NE1 2.78Å; G299-W312 VanDerWaalsContact CA-CZ2 3.49Å; V308-W312 HydrophobicContact CG1-CD2 3.63Å; V308-W312 HydrophobicContact CG1-CE3 3.47Å; V308-W312 VanDerWaalsContact CG1-CE3 3.47Å; V308-W312 HydrophobicContact CG1-CG 4.48Å; V308-W312 HydrophobicContact CG1-CH2 3.78Å; V308-W312 HydrophobicContact CG1-CZ2 3.84Å; V308-W312 HydrophobicContact CG1-CZ3 3.55Å; V308-W312 PolarHBondContact O-N 3.36Å; W312-T316 WeakPolarHBondContact O-CB 3.39Å; W312-T316 PolarHBondContact O-N 3.45Å; W312-T316 PolarHBondContact O-OG1 3.32Å
313T98.9Very high98.4Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-61.3-49.1169.3-64.30000111.1L41 L42 Y45 A309 C311 T316 A317 I324 L343L41-T313 HydrophobicContact CB-CG2 4.07Å; L41-T313 WeakPolarHBondContact CB-OG1 3.41Å; L42-T313 HydrophobicContact CD2-CG2 4.13Å; Y45-T313 HydrophobicContact CD2-CG2 3.6Å; Y45-T313 HydrophobicContact CE2-CG2 3.85Å; A309-T313 WeakPolarHBondContact O-CB 3.45Å; A309-T313 PolarHBondContact O-N 2.55Å; A309-T313 PolarHBondContact O-OG1 2.89Å; C311-T313 VanDerWaalsContact C-N 3.26Å; C311-T313 PolarHBondContact O-N 2.78Å; T313-T316 PolarHBondContact O-N 3.32Å; T313-A317 PolarHBondContact O-N 2.66Å; T313-A317 VanDerWaalsContact O-N 3.16Å; T313-I324 HydrophobicContact CG2-CD1 4.21Å; T313-L343 HydrophobicContact CG2-CD1 4.39Å
314Y98.9Very high98.4Very high54 Ų5427.5 Ų27.521%0.21213%0.131CC..Hα-helixtrans-67.4-40.3179.9-171.7-112.9000112.2I278 K279 A282 R310 C311 T316 A317 V318 I324 L343 H344I278-Y314 HydrophobicContact CG2-CD1 3.56Å; I278-Y314 HydrophobicContact CG2-CE1 4.49Å; I278-Y314 HydrophobicContact CG2-CG 3.84Å; K279-Y314 HydrophobicContact CG-CE1 4.49Å; A282-Y314 HydrophobicContact CB-CD1 3.58Å; A282-Y314 HydrophobicContact CB-CE1 3.72Å; R310-Y314 WeakPolarHBondContact O-CB 3.44Å; R310-Y314 PolarHBondContact O-N 2.99Å; C311-Y314 PolarHBondContact O-N 3.28Å; Y314-T316 VanDerWaalsContact C-N 3.31Å; Y314-T316 PolarHBondContact O-N 3.23Å; Y314-A317 WeakPolarHBondContact O-CA 3.42Å; Y314-A317 VanDerWaalsContact O-CB 3.28Å; Y314-A317 WeakPolarHBondContact O-CB 3.38Å; Y314-A317 PolarHBondContact O-N 3.23Å; Y314-V318 HydrophobicContact CD1-CG2 4.4Å; Y314-V318 HydrophobicContact CE1-CG2 4.19Å; Y314-V318 WeakPolarHBondContact O-CG2 3.22Å; Y314-V318 PolarHBondContact O-N 2.79Å; Y314-I324 HydrophobicContact CD2-CD1 4.2Å; Y314-I324 HydrophobicContact CD2-CG1 4.18Å; Y314-L343 HydrophobicContact CD2-CD2 3.75Å; Y314-L343 HydrophobicContact CG-CD2 4.37Å; Y314-H344 AromaticContact CD2-CE1 3.87Å; Y314-H344 AromaticContact CE2-CE1 3.57Å; Y314-H344 AromaticContact CZ-CE1 3.66Å
315E98.9Very high98.3Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-66.7-32.2177.2-69-175.9144.300112.9W135 C261 H281 A282 V285 M297 C311 A317 V318 A319W135-E315 HydrophobicContact CH2-CB 4.09Å; W135-E315 HydrophobicContact CZ2-CB 4.28Å; C261-E315 WeakPolarHBondContact CB-OE2 3.42Å; H281-E315 IonicContact CE1-OE1 2.99Å; H281-E315 PolarHBondContact CE1-OE1 3.17Å; H281-E315 VanDerWaalsContact CE1-OE1 3.27Å; H281-E315 IonicContact CG-OE1 2.79Å; H281-E315 IonicContact ND1-OE1 3.09Å; H281-E315 PolarHBondContact ND1-OE1 3.02Å; A282-E315 HydrophobicContact CB-CG 3.86Å; V285-E315 HydrophobicContact CG2-CB 4.3Å; V285-E315 HydrophobicContact CG2-CG 3.97Å; V285-E315 WeakPolarHBondContact CG2-OE1 3.46Å; M297-E315 HydrophobicContact CE-CB 4.16Å; C311-E315 WeakPolarHBondContact O-CG 3.37Å; C311-E315 PolarHBondContact O-N 3.48Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-V318 WeakPolarHBondContact O-CB 3.37Å; E315-V318 PolarHBondContact O-N 2.75Å; E315-A319 PolarHBondContact O-N 2.87Å
316T98.9Very high98.4Very high0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-64.5-40169.7-52.90000110.6L42 M51 W135 W312 T313 Y314 V318 A319 L320L42-T316 HydrophobicContact CD1-CG2 4.39Å; L42-T316 HydrophobicContact CD2-CG2 3.71Å; M51-T316 HydrophobicContact CE-CG2 4.33Å; M51-T316 HydrophobicContact SD-CG2 3.83Å; W135-T316 WeakPolarHBondContact CZ2-OG1 3.35Å; W135-T316 PolarHBondContact NE1-OG1 2.95Å; W135-T316 VanDerWaalsContact NE1-OG1 3.09Å; W312-T316 WeakPolarHBondContact O-CB 3.39Å; W312-T316 PolarHBondContact O-N 3.45Å; W312-T316 PolarHBondContact O-OG1 3.32Å; T313-T316 PolarHBondContact O-N 3.32Å; Y314-T316 VanDerWaalsContact C-N 3.31Å; Y314-T316 PolarHBondContact O-N 3.23Å; T316-V318 VanDerWaalsContact C-N 3.31Å; T316-V318 PolarHBondContact O-N 3.44Å; T316-A319 WeakPolarHBondContact O-CB 3.39Å; T316-A319 PolarHBondContact O-N 2.85Å; T316-L320 HydrophobicContact CG2-CD1 4.11Å; T316-L320 WeakPolarHBondContact O-CB 3.21Å; T316-L320 WeakPolarHBondContact O-CG 3.21Å; T316-L320 PolarHBondContact O-N 2.94Å
317A98.8Very high98.3Very high1 Ų132.3 Ų32.31%0.00817%0.165CC..Hα-helixtrans-63.3-36.7174.200000112.2L47 T313 Y314 E315 L320 D321 T322 I324L47-A317 HydrophobicContact CD1-CB 3.99Å; L47-A317 HydrophobicContact CD2-CB 4.27Å; T313-A317 PolarHBondContact O-N 2.66Å; T313-A317 VanDerWaalsContact O-N 3.16Å; Y314-A317 WeakPolarHBondContact O-CA 3.42Å; Y314-A317 VanDerWaalsContact O-CB 3.28Å; Y314-A317 WeakPolarHBondContact O-CB 3.38Å; Y314-A317 PolarHBondContact O-N 3.23Å; E315-A317 VanDerWaalsContact C-N 3.32Å; A317-L320 CarbonylContact O-C 3.5Å; A317-L320 PolarHBondContact O-N 3.39Å; A317-D321 PolarHBondContact O-N 3.16Å; A317-D321 VanDerWaalsContact O-N 3.08Å; A317-T322 WeakPolarHBondContact CB-O 3.42Å; A317-T322 PolarHBondContact O-N 3.09Å; A317-I324 HydrophobicContact CB-CD1 3.79Å; A317-I324 HydrophobicContact CB-CG1 3.97Å; A317-I324 HydrophobicContact CB-CG2 4.15Å
318V98.7Very high98.3Very high23 Ų2332.2 Ų32.214%0.13916%0.164CC..Hα-helixtrans-65.3-42.4172.4173.40000111.6A282 V285 E286 K289 Y314 E315 T316 L320 D321A282-V318 HydrophobicContact CB-CG2 4.23Å; V285-V318 HydrophobicContact CB-CG1 4.35Å; V285-V318 HydrophobicContact CG1-CG1 3.98Å; E286-V318 HydrophobicContact CB-CG1 3.93Å; K289-V318 HydrophobicContact CD-CG1 4.27Å; K289-V318 VanDerWaalsContact CD-O 3.25Å; K289-V318 WeakPolarHBondContact CD-O 3.37Å; K289-V318 WeakPolarHBondContact CE-O 3.23Å; Y314-V318 HydrophobicContact CD1-CG2 4.4Å; Y314-V318 HydrophobicContact CE1-CG2 4.19Å; Y314-V318 WeakPolarHBondContact O-CG2 3.22Å; Y314-V318 PolarHBondContact O-N 2.79Å; E315-V318 WeakPolarHBondContact O-CB 3.37Å; E315-V318 PolarHBondContact O-N 2.75Å; T316-V318 VanDerWaalsContact C-N 3.31Å; T316-V318 PolarHBondContact O-N 3.44Å; V318-L320 PolarHBondContact O-N 3.24Å; V318-D321 PolarHBondContact O-N 3.42Å
319A98.4Very high98.3Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-57.2-37.8173.300000112V11 I131 K289 M297 E315 T316V11-A319 HydrophobicContact CG2-CB 4.42Å; I131-A319 HydrophobicContact CD1-CB 4.27Å; I131-A319 HydrophobicContact CG2-CB 4.36Å; K289-A319 WeakPolarHBondContact CE-O 3.38Å; M297-A319 HydrophobicContact CE-CB 4.36Å; M297-A319 HydrophobicContact SD-CB 3.89Å; E315-A319 PolarHBondContact O-N 2.87Å; T316-A319 WeakPolarHBondContact O-CB 3.39Å; T316-A319 PolarHBondContact O-N 2.85Å
320L98.2Very high98.2Very high2 Ų241.5 Ų41.51%0.0120%0.204CC..THydrogen-bonded Turntrans-85.3-2.3-179.6-69.5169.1000114.9R8 V11 L47 K50 M51 T316 A317 V318 T322R8-L320 VanDerWaalsContact CZ-O 3.27Å; R8-L320 PolarHBondContact NE-O 3.43Å; R8-L320 PolarHBondContact NH2-O 2.92Å; V11-L320 HydrophobicContact CB-CD2 3.84Å; V11-L320 HydrophobicContact CG1-CD2 4.42Å; V11-L320 HydrophobicContact CG2-CD2 3.65Å; V11-L320 HydrophobicContact CG2-CG 4.29Å; L47-L320 HydrophobicContact CB-CD1 4.02Å; L47-L320 HydrophobicContact CD2-CD1 3.99Å; L47-L320 HydrophobicContact CG-CD1 4.49Å; K50-L320 HydrophobicContact CB-CD1 4.26Å; K50-L320 HydrophobicContact CB-CD2 4Å; K50-L320 WeakPolarHBondContact O-CD2 3.45Å; M51-L320 HydrophobicContact CB-CD2 4.16Å; M51-L320 HydrophobicContact SD-CD1 4.36Å; T316-L320 HydrophobicContact CG2-CD1 4.11Å; T316-L320 WeakPolarHBondContact O-CB 3.21Å; T316-L320 WeakPolarHBondContact O-CG 3.21Å; T316-L320 PolarHBondContact O-N 2.94Å; A317-L320 CarbonylContact O-C 3.5Å; A317-L320 PolarHBondContact O-N 3.39Å; V318-L320 PolarHBondContact O-N 3.24Å; L320-T322 PolarHBondContact O-N 3.1Å; L320-T322 PolarHBondContact O-OG1 3.17Å
321D97.1Very high98.1Very high93 Ų9341.3 Ų41.350%0.49720%0.204SC..THydrogen-bonded Turntrans47.644-170-64.6-53.1000111.9R8 K289 A317 V318R8-D321 PolarHBondContact NH2-O 2.97Å; K289-D321 IonicContact NZ-OD1 3.65Å; K289-D321 PolarHBondContact NZ-OD1 3.1Å; K289-D321 IonicContact NZ-OD2 3.89Å; K289-D321 PolarHBondContact NZ-OD2 2.96Å; A317-D321 PolarHBondContact O-N 3.16Å; A317-D321 VanDerWaalsContact O-N 3.08Å; V318-D321 PolarHBondContact O-N 3.42Å
322T96.1Very high98.1Very high20 Ų2046.5 Ų46.512%0.12323%0.231CC..  trans-115.5126.8179.2-62.90000110R8 L47 K50 A317 L320 I324R8-T322 PolarHBondContact NH2-OG1 3.34Å; L47-T322 HydrophobicContact CD2-CG2 3.94Å; K50-T322 HydrophobicContact CD-CG2 4.41Å; K50-T322 WeakPolarHBondContact CD-OG1 3.47Å; K50-T322 VanDerWaalsContact NZ-CG2 3.26Å; K50-T322 PolarHBondContact NZ-OG1 3.38Å; A317-T322 WeakPolarHBondContact CB-O 3.42Å; A317-T322 PolarHBondContact O-N 3.09Å; L320-T322 PolarHBondContact O-N 3.1Å; L320-T322 PolarHBondContact O-OG1 3.17Å; T322-I324 HydrophobicContact CG2-CG2 4.21Å
323E96.7Very high98Very high194 Ų19447.8 Ų47.891%0.90724%0.236SC*.  trans-75.5133.5166.1-68.3-172.7178.800110.5
324I98.1Very high97.9Very high21 Ų2149.8 Ų49.811%0.10825%0.245CC..  trans-121.7144.4174.355.4172.4000110Y45 L47 T313 Y314 A317 T322 L343Y45-I324 HydrophobicContact CD1-CB 3.87Å; Y45-I324 HydrophobicContact CD1-CD1 4.38Å; Y45-I324 HydrophobicContact CD1-CG2 4.07Å; Y45-I324 HydrophobicContact CD2-CD1 4.39Å; Y45-I324 HydrophobicContact CE1-CB 3.9Å; Y45-I324 HydrophobicContact CE1-CD1 4.28Å; Y45-I324 HydrophobicContact CE1-CG1 4.48Å; Y45-I324 HydrophobicContact CE2-CD1 4.29Å; Y45-I324 HydrophobicContact CG-CD1 4.43Å; Y45-I324 HydrophobicContact CG-CG2 4.49Å; L47-I324 HydrophobicContact CD1-CG2 4.37Å; L47-I324 HydrophobicContact CD2-CG2 3.84Å; L47-I324 HydrophobicContact CG-CG2 4.33Å; T313-I324 HydrophobicContact CG2-CD1 4.21Å; Y314-I324 HydrophobicContact CD2-CD1 4.2Å; Y314-I324 HydrophobicContact CD2-CG1 4.18Å; A317-I324 HydrophobicContact CB-CD1 3.79Å; A317-I324 HydrophobicContact CB-CG1 3.97Å; A317-I324 HydrophobicContact CB-CG2 4.15Å; T322-I324 HydrophobicContact CG2-CG2 4.21Å; I324-L343 HydrophobicContact CD1-CD2 3.5Å; I324-L343 VanDerWaalsContact CD1-CD2 3.5Å; I324-L343 HydrophobicContact CG1-CD2 3.89Å
325P98.2Very high97.8Very high80 Ų8053.3 Ų53.352%0.51926%0.264SS..  trans-68.1150.9-178.327.4-33.3000111.4Y45 E327Y45-P325 HydrophobicContact CE1-CG 3.97Å; Y45-P325 WeakPolarHBondContact CE1-O 3.24Å; Y45-P325 PolarHBondContact OH-O 3.38Å; P325-E327 PolarHBondContact O-N 3.02Å
326N98.3Very high97.8Very high62 Ų6259.2 Ų59.233%0.33229%0.287SS..SBendtrans-70.2-18.4175.9-169.540.6000112.9L328 K342 L343 H344N326-L328 PolarHBondContact O-N 3.35Å; N326-K342 CarbonylContact O-C 3.49Å; N326-K342 WeakPolarHBondContact O-CA 3.41Å; N326-L343 PolarHBondContact O-N 2.62Å; N326-L343 PolarHBondContact OD1-N 3.14Å; N326-H344 WeakPolarHBondContact OD1-CB 3.32Å; N326-H344 PolarHBondContact OD1-CD2 3.14Å; N326-H344 PolarHBondContact OD1-N 3.06Å
327E98Very high97.7Very high108 Ų10859.2 Ų59.251%0.50529%0.287SS..BIsolated β-bridgetrans-70.7123.6170.6-58.2-57.4147.800109.3Y45 P325 K342Y45-E327 PolarHBondContact OH-O 2.81Å; P325-E327 PolarHBondContact O-N 3.02Å; E327-K342 IonicContact OE1-NZ 3.93Å; E327-K342 PolarHBondContact OE1-NZ 3Å; E327-K342 IonicContact OE2-NZ 3.94Å; E327-K342 PolarHBondContact OE2-NZ 3.49Å
328L98.3Very high97.3Very high13 Ų1360 Ų607%0.06830%0.296CS..PPolyproline II helixtrans-71134.2174.6-70.5172.2000109.8L41 Y45 N326 F334 F337 F341 K342 L343L41-L328 HydrophobicContact CD1-CD2 4.42Å; L41-L328 HydrophobicContact CD2-CD2 4.03Å; Y45-L328 HydrophobicContact CE2-CD2 3.97Å; N326-L328 PolarHBondContact O-N 3.35Å; L328-F334 HydrophobicContact CB-CE2 4.12Å; L328-F337 HydrophobicContact CD1-CB 3.33Å; L328-F337 HydrophobicContact CD1-CD1 3.7Å; L328-F337 HydrophobicContact CD1-CD2 3.93Å; L328-F337 HydrophobicContact CD1-CE1 4.48Å; L328-F337 HydrophobicContact CD1-CG 3.37Å; L328-F341 WeakPolarHBondContact CB-O 3.4Å; L328-F341 WeakPolarHBondContact CG-O 3.12Å; L328-F341 PolarHBondContact N-O 2.91Å; L328-K342 WeakPolarHBondContact CD1-O 3.5Å; L328-L343 HydrophobicContact CD2-CB 4.14Å; L328-L343 HydrophobicContact CD2-CD1 3.99Å
329P97.9Very high97.2Very high30 Ų3064.7 Ų64.720%0.19533%0.327CS..PPolyproline II helixtrans-69.1153.8170.231.5-35.5000109.8N44 Y45 N331 F334N44-P329 HydrophobicContact CB-CB 3.97Å; N44-P329 HydrophobicContact CB-CG 3.7Å; N44-P329 WeakPolarHBondContact O-CB 3.47Å; Y45-P329 HydrophobicContact CD1-CG 4.15Å; Y45-P329 HydrophobicContact CD2-CG 3.9Å; Y45-P329 HydrophobicContact CE1-CG 4.31Å; Y45-P329 VanDerWaalsContact CE2-CD 3.45Å; Y45-P329 HydrophobicContact CE2-CG 4.07Å; Y45-P329 HydrophobicContact CG-CG 3.95Å; P329-N331 PolarHBondContact O-N 2.95Å; P329-N331 PolarHBondContact O-ND2 3.43Å; P329-F334 WeakPolarHBondContact O-CD2 3.16Å
330Y97.6Very high97Very high164 Ų16467.8 Ų67.864%0.64334%0.343SS*.PPolyproline II helixtrans-57.2140171.2-174.6-100.4000109.9N44 F334N44-Y330 WeakPolarHBondContact CB-O 3.4Å; N44-Y330 PolarHBondContact OD1-O 3.21Å; N44-Y330 VanDerWaalsContact OD1-O 3.13Å; Y330-F334 HydrophobicContact CD2-CB 4.16Å; Y330-F334 HydrophobicContact CD2-CD1 4.31Å; Y330-F334 HydrophobicContact CD2-CG 4.11Å; Y330-F334 HydrophobicContact CE2-CB 4.27Å
331N97Very high97Very high2 Ų271 Ų711%0.01136%0.357CS..  trans-158.9167.6-174.469.882.4000109.5N40 L41 N44 P329 Y333 F334N40-N331 VanDerWaalsContact OD1-CB 3.28Å; N40-N331 WeakPolarHBondContact OD1-CB 3.31Å; L41-N331 HydrophobicContact CD2-CB 4.45Å; L41-N331 WeakPolarHBondContact CD2-ND2 3.47Å; N44-N331 HydrophobicContact CB-CB 4.3Å; N44-N331 WeakPolarHBondContact ND2-CB 3.48Å; P329-N331 PolarHBondContact O-N 2.95Å; P329-N331 PolarHBondContact O-ND2 3.43Å; N331-Y333 PolarHBondContact O-N 2.87Å; N331-Y333 WeakPolarHBondContact OD1-CA 3.44Å; N331-Y333 PolarHBondContact OD1-N 3.12Å; N331-F334 WeakPolarHBondContact O-CB 3.49Å; N331-F334 PolarHBondContact O-N 3.23Å; N331-F334 VanDerWaalsContact O-N 3.1Å; N331-F334 PolarHBondContact OD1-N 2.88Å; N331-F334 VanDerWaalsContact OD1-N 3.1Å
332D97.4Very high97Very high109 Ų10969.4 Ų69.458%0.58335%0.345SS*.THydrogen-bonded Turntrans-63.7-17.5-173.6-63-26.7000113.3N40N40-D332 PolarHBondContact ND2-OD2 2.82Å; N40-D332 PolarHBondContact OD1-N 2.68Å
333Y97.6Very high97.1Very high27 Ų2768.4 Ų68.411%0.10634%0.34CS..THydrogen-bonded Turntrans-11820-177.9-49.9-67.8000112.2H33 R36 M37 N40 N331 E335 Y336 F337H33-Y333 AromaticContact CE1-CE1 3.47Å; H33-Y333 VanDerWaalsContact CE1-CE1 3.47Å; H33-Y333 WeakPolarHBondContact CE1-CE1 3.45Å; H33-Y333 AromaticContact CE1-CZ 3.59Å; H33-Y333 PolarHBondContact CE1-OH 2.95Å; H33-Y333 AromaticContact NE2-CD1 3.75Å; H33-Y333 AromaticContact NE2-CE1 3.32Å; H33-Y333 VanDerWaalsContact NE2-CE1 3.32Å; H33-Y333 WeakPolarHBondContact NE2-CE1 3.32Å; H33-Y333 AromaticContact NE2-CZ 3.75Å; R36-Y333 WeakPolarHBondContact CD-OH 3.46Å; R36-Y333 HydrophobicContact CG-CE2 4.23Å; R36-Y333 PolarHBondContact NE-OH 2.88Å; M37-Y333 HydrophobicContact CB-CD2 4.28Å; M37-Y333 HydrophobicContact CG-CD2 3.89Å; M37-Y333 HydrophobicContact CG-CE2 4.3Å; M37-Y333 HydrophobicContact CG-CG 4.01Å; N40-Y333 HydrophobicContact CB-CD2 4.09Å; N40-Y333 HydrophobicContact CB-CE2 3.97Å; N331-Y333 PolarHBondContact O-N 2.87Å; N331-Y333 WeakPolarHBondContact OD1-CA 3.44Å; N331-Y333 PolarHBondContact OD1-N 3.12Å; Y333-E335 PolarHBondContact O-N 3.25Å; Y333-E335 VanDerWaalsContact O-N 3.09Å; Y333-Y336 HydrophobicContact CD1-CE2 4.49Å; Y333-Y336 VanDerWaalsContact O-CB 3.3Å; Y333-Y336 WeakPolarHBondContact O-CB 3.46Å; Y333-Y336 PolarHBondContact O-N 2.9Å; Y333-F337 WeakPolarHBondContact O-CD2 3.47Å; Y333-F337 WeakPolarHBondContact O-CE2 3.48Å
334F97.1Very high97.2Very high43 Ų4361 Ų6119%0.18931%0.305CS..G310 helixtrans-53.8-37.9-169.7-172.1-104.8000113.2L328 P329 Y330 N331 Y336 F337 F341L328-F334 HydrophobicContact CB-CE2 4.12Å; P329-F334 WeakPolarHBondContact O-CD2 3.16Å; Y330-F334 HydrophobicContact CD2-CB 4.16Å; Y330-F334 HydrophobicContact CD2-CD1 4.31Å; Y330-F334 HydrophobicContact CD2-CG 4.11Å; Y330-F334 HydrophobicContact CE2-CB 4.27Å; N331-F334 WeakPolarHBondContact O-CB 3.49Å; N331-F334 PolarHBondContact O-N 3.23Å; N331-F334 VanDerWaalsContact O-N 3.1Å; N331-F334 PolarHBondContact OD1-N 2.88Å; N331-F334 VanDerWaalsContact OD1-N 3.1Å; F334-Y336 PolarHBondContact O-N 2.95Å; F334-F337 WeakPolarHBondContact O-CD2 3.2Å; F334-F337 PolarHBondContact O-N 3.07Å; F334-F337 VanDerWaalsContact O-N 3.12Å; F334-F341 AromaticContact CD1-CD1 3.71Å; F334-F341 HydrophobicContact CD1-CD1 3.71Å; F334-F341 AromaticContact CD1-CE1 3.73Å; F334-F341 HydrophobicContact CD1-CE1 3.73Å; F334-F341 HydrophobicContact CD2-CD1 4.46Å; F334-F341 HydrophobicContact CE1-CB 4.37Å; F334-F341 AromaticContact CE1-CD1 3.23Å; F334-F341 HydrophobicContact CE1-CD1 3.23Å; F334-F341 AromaticContact CE1-CE1 3.51Å; F334-F341 HydrophobicContact CE1-CE1 3.51Å; F334-F341 AromaticContact CE1-CG 3.82Å; F334-F341 HydrophobicContact CE1-CG 3.82Å; F334-F341 HydrophobicContact CE1-CZ 4.29Å; F334-F341 HydrophobicContact CE2-CB 4.25Å; F334-F341 HydrophobicContact CE2-CD1 4.07Å; F334-F341 HydrophobicContact CE2-CG 4.49Å; F334-F341 HydrophobicContact CG-CD1 4.31Å; F334-F341 HydrophobicContact CZ-CB 3.74Å; F334-F341 AromaticContact CZ-CD1 3.44Å; F334-F341 HydrophobicContact CZ-CD1 3.44Å; F334-F341 VanDerWaalsContact CZ-CD1 3.44Å; F334-F341 HydrophobicContact CZ-CE1 4.2Å; F334-F341 AromaticContact CZ-CG 3.7Å; F334-F341 HydrophobicContact CZ-CG 3.7Å
335E97.4Very high97.2Very high128 Ų12861.2 Ų61.260%0.59831%0.306SS*.G310 helixtrans-64.2-22.5-179.6-64.874.2-161.800113.4Y333 F337 G338Y333-E335 PolarHBondContact O-N 3.25Å; Y333-E335 VanDerWaalsContact O-N 3.09Å; E335-F337 PolarHBondContact O-N 2.95Å; E335-G338 PolarHBondContact O-N 3.16Å
336Y97.4Very high97.1Very high123 Ų12362.2 Ų62.248%0.48232%0.315SS..G310 helixtrans-65.6-21.8176.3-79.9-111.1000112.8M37 I305 R306 Y333 F334M37-Y336 HydrophobicContact CE-CD1 3.87Å; M37-Y336 HydrophobicContact CE-CG 3.89Å; M37-Y336 HydrophobicContact SD-CD1 4.44Å; I305-Y336 HydrophobicContact CD1-CD1 4.33Å; I305-Y336 HydrophobicContact CD1-CE1 4.14Å; R306-Y336 WeakPolarHBondContact CD-O 3.34Å; Y333-Y336 HydrophobicContact CD1-CE2 4.49Å; Y333-Y336 VanDerWaalsContact O-CB 3.3Å; Y333-Y336 WeakPolarHBondContact O-CB 3.46Å; Y333-Y336 PolarHBondContact O-N 2.9Å; F334-Y336 PolarHBondContact O-N 2.95Å
337F97.8Very high97Very high0 Ų062.7 Ų62.70%032%0.321CS..G310 helixtrans-95.510.4-176.7-53.5-79.8000113.2M37 L41 R306 A309 R310 L328 Y333 F334 E335 F341M37-F337 HydrophobicContact CE-CE1 4.45Å; M37-F337 HydrophobicContact CE-CE2 4.36Å; M37-F337 HydrophobicContact CE-CZ 3.88Å; L41-F337 HydrophobicContact CD1-CE1 4Å; L41-F337 HydrophobicContact CD1-CE2 4.37Å; L41-F337 HydrophobicContact CD1-CZ 3.61Å; L41-F337 HydrophobicContact CD2-CE2 4.23Å; L41-F337 HydrophobicContact CD2-CZ 4.29Å; L41-F337 HydrophobicContact CG-CE2 4.46Å; L41-F337 HydrophobicContact CG-CZ 4.1Å; R306-F337 HydrophobicContact CB-CD1 4.11Å; R306-F337 HydrophobicContact CB-CE1 4.17Å; R306-F337 WeakPolarHBondContact O-CE1 3.27Å; A309-F337 HydrophobicContact CB-CE1 4.15Å; A309-F337 HydrophobicContact CB-CZ 4.1Å; R310-F337 HydrophobicContact CG-CD1 4.1Å; R310-F337 HydrophobicContact CG-CE1 4.04Å; R310-F337 PolarHBondContact NH2-O 3.22Å; L328-F337 HydrophobicContact CD1-CB 3.33Å; L328-F337 HydrophobicContact CD1-CD1 3.7Å; L328-F337 HydrophobicContact CD1-CD2 3.93Å; L328-F337 HydrophobicContact CD1-CE1 4.48Å; L328-F337 HydrophobicContact CD1-CG 3.37Å; Y333-F337 WeakPolarHBondContact O-CD2 3.47Å; Y333-F337 WeakPolarHBondContact O-CE2 3.48Å; F334-F337 WeakPolarHBondContact O-CD2 3.2Å; F334-F337 PolarHBondContact O-N 3.07Å; F334-F337 VanDerWaalsContact O-N 3.12Å; E335-F337 PolarHBondContact O-N 2.95Å; F337-F341 HydrophobicContact CB-CD1 4.48Å; F337-F341 WeakPolarHBondContact O-CA 3.45Å; F337-F341 PolarHBondContact O-N 3.01Å
338G90.8Very high96.9Very high19 Ų1960.1 Ų60.120%0.19632%0.315CS..THydrogen-bonded Turntrans-66.9156.5172.800000113.2R306 E335R306-G338 PolarHBondContact NH1-O 3.21Å; E335-G338 PolarHBondContact O-N 3.16Å
339P94.9Very high96.8Very high121 Ų12167.4 Ų67.479%0.78635%0.354SS*.THydrogen-bonded Turncis-90.5-7.74.835.6-35.9000114.9F341P339-F341 WeakPolarHBondContact O-CD2 3.35Å; P339-F341 WeakPolarHBondContact O-CE2 3.5Å
340D95.8Very high96.7Very high65 Ų6569.6 Ų69.635%0.34836%0.363SS..THydrogen-bonded Turntrans-95.1-25.7-167.764.7-42.4000113.9R310 K342R310-D340 IonicContact NH2-OD1 3.9Å; R310-D340 PolarHBondContact NH2-OD1 3.17Å; R310-D340 IonicContact NH2-OD2 3.26Å; D340-K342 HydrophobicContact CB-CG 4.18Å; D340-K342 VanDerWaalsContact O-CE 3.28Å; D340-K342 WeakPolarHBondContact O-CE 3.38Å; D340-K342 WeakPolarHBondContact O-CG 3.26Å; D340-K342 PolarHBondContact O-N 3.38Å
341F97.3Very high96.8Very high68 Ų6867 Ų6730%0.29836%0.364SS..  trans55.333179.7-50.9-81.6000113.3L328 F334 F337 P339L328-F341 WeakPolarHBondContact CB-O 3.4Å; L328-F341 WeakPolarHBondContact CG-O 3.12Å; L328-F341 PolarHBondContact N-O 2.91Å; F334-F341 AromaticContact CD1-CD1 3.71Å; F334-F341 HydrophobicContact CD1-CD1 3.71Å; F334-F341 AromaticContact CD1-CE1 3.73Å; F334-F341 HydrophobicContact CD1-CE1 3.73Å; F334-F341 HydrophobicContact CD2-CD1 4.46Å; F334-F341 HydrophobicContact CE1-CB 4.37Å; F334-F341 AromaticContact CE1-CD1 3.23Å; F334-F341 HydrophobicContact CE1-CD1 3.23Å; F334-F341 AromaticContact CE1-CE1 3.51Å; F334-F341 HydrophobicContact CE1-CE1 3.51Å; F334-F341 AromaticContact CE1-CG 3.82Å; F334-F341 HydrophobicContact CE1-CG 3.82Å; F334-F341 HydrophobicContact CE1-CZ 4.29Å; F334-F341 HydrophobicContact CE2-CB 4.25Å; F334-F341 HydrophobicContact CE2-CD1 4.07Å; F334-F341 HydrophobicContact CE2-CG 4.49Å; F334-F341 HydrophobicContact CG-CD1 4.31Å; F334-F341 HydrophobicContact CZ-CB 3.74Å; F334-F341 AromaticContact CZ-CD1 3.44Å; F334-F341 HydrophobicContact CZ-CD1 3.44Å; F334-F341 VanDerWaalsContact CZ-CD1 3.44Å; F334-F341 HydrophobicContact CZ-CE1 4.2Å; F334-F341 AromaticContact CZ-CG 3.7Å; F334-F341 HydrophobicContact CZ-CG 3.7Å; F337-F341 HydrophobicContact CB-CD1 4.48Å; F337-F341 WeakPolarHBondContact O-CA 3.45Å; F337-F341 PolarHBondContact O-N 3.01Å; P339-F341 WeakPolarHBondContact O-CD2 3.35Å; P339-F341 WeakPolarHBondContact O-CE2 3.5Å
342K98.3Very high96.8Very high60 Ų6068.9 Ų68.926%0.26137%0.374SS..BIsolated β-bridgetrans-103.3156.6177.1-52.3-53.9174.9-173.70112.2R310 N326 E327 L328 D340R310-K342 VanDerWaalsContact CZ-O 3.24Å; R310-K342 PolarHBondContact NE-O 2.79Å; R310-K342 PolarHBondContact NH2-O 3.26Å; N326-K342 CarbonylContact O-C 3.49Å; N326-K342 WeakPolarHBondContact O-CA 3.41Å; E327-K342 IonicContact OE1-NZ 3.93Å; E327-K342 PolarHBondContact OE1-NZ 3Å; E327-K342 IonicContact OE2-NZ 3.94Å; E327-K342 PolarHBondContact OE2-NZ 3.49Å; L328-K342 WeakPolarHBondContact CD1-O 3.5Å; D340-K342 HydrophobicContact CB-CG 4.18Å; D340-K342 VanDerWaalsContact O-CE 3.28Å; D340-K342 WeakPolarHBondContact O-CE 3.38Å; D340-K342 WeakPolarHBondContact O-CG 3.26Å; D340-K342 PolarHBondContact O-N 3.38Å
343L98.4Very high96.9Very high0 Ų068 Ų680%037%0.367CS..SBendtrans-75-49.5175-177.165.7000111.5Y45 I278 R310 T313 Y314 I324 N326 L328Y45-L343 HydrophobicContact CE2-CD1 4.31Å; I278-L343 WeakPolarHBondContact CD1-O 3.08Å; R310-L343 HydrophobicContact CB-CD1 3.97Å; R310-L343 WeakPolarHBondContact CB-O 3.43Å; R310-L343 VanDerWaalsContact CD-O 3.27Å; R310-L343 WeakPolarHBondContact CD-O 3.43Å; R310-L343 HydrophobicContact CG-CD1 4.23Å; R310-L343 WeakPolarHBondContact CG-O 3.34Å; T313-L343 HydrophobicContact CG2-CD1 4.39Å; Y314-L343 HydrophobicContact CD2-CD2 3.75Å; Y314-L343 HydrophobicContact CG-CD2 4.37Å; I324-L343 HydrophobicContact CD1-CD2 3.5Å; I324-L343 VanDerWaalsContact CD1-CD2 3.5Å; I324-L343 HydrophobicContact CG1-CD2 3.89Å; N326-L343 PolarHBondContact O-N 2.62Å; N326-L343 PolarHBondContact OD1-N 3.14Å; L328-L343 HydrophobicContact CD2-CB 4.14Å; L328-L343 HydrophobicContact CD2-CD1 3.99Å
344H98.3Very high96.9Very high37 Ų3767 Ų6717%0.17136%0.363CS..  trans-80.8146.5-175.7-65.2-57.4000112.9K279 Y314 N326K279-H344 WeakPolarHBondContact CE-CE1 3.44Å; K279-H344 WeakPolarHBondContact CE-NE2 3.36Å; Y314-H344 AromaticContact CD2-CE1 3.87Å; Y314-H344 AromaticContact CE2-CE1 3.57Å; Y314-H344 AromaticContact CZ-CE1 3.66Å; N326-H344 WeakPolarHBondContact OD1-CB 3.32Å; N326-H344 PolarHBondContact OD1-CD2 3.14Å; N326-H344 PolarHBondContact OD1-N 3.06Å
345I97.1Very high97Very high27 Ų2768.4 Ų68.414%0.13838%0.375CS..  trans-107.5151.3173.365.2177.6000110.2L266 I278L266-I345 HydrophobicContact CB-CD1 4.43Å; I278-I345 HydrophobicContact CD1-CG1 4.23Å; I278-I345 HydrophobicContact CD1-CG2 4.12Å; I278-I345 HydrophobicContact CG1-CD1 4.25Å; I278-I345 HydrophobicContact CG1-CG1 4.11Å
346S96.1Very high97Very high100 Ų10067.7 Ų67.770%0.69938%0.376SS*.PPolyproline II helixtrans-92.6150170.8-60.90000110.6
347P97Very high97.1Very high73 Ų7368.5 Ų68.547%0.47438%0.384SS..PPolyproline II helixtrans-66155.3171.930.4-33.9000110.3T277T277-P347 HydrophobicContact CG2-CB 4.24Å; T277-P347 HydrophobicContact CG2-CG 4.29Å
348S96.4Very high97.1Very high54 Ų5470.9 Ų70.938%0.37839%0.393SS..PPolyproline II helixtrans-81.7172.5173.173.80000111.5S267 N275 M350S267-S348 PolarHBondContact OG-N 3.46Å; N275-S348 PolarHBondContact ND2-O 3.04Å; N275-S348 WeakPolarHBondContact OD1-CB 3.28Å; N275-S348 PolarHBondContact OD1-N 2.93Å; N275-S348 PolarHBondContact OD1-OG 3.37Å; S348-M350 PolarHBondContact O-N 2.89Å; S348-M350 VanDerWaalsContact OG-CB 3.26Å; S348-M350 WeakPolarHBondContact OG-CB 3.42Å; S348-M350 PolarHBondContact OG-N 3.41Å
349N95.9Very high97.5Very high166 Ų16670.3 Ų70.389%0.88839%0.385SS*.SBendtrans-81.115.6172.669-32.1000113.7
350M95.9Very high97.6Very high75 Ų7568.4 Ų68.437%0.36937%0.366SS..  trans-58138.8175.6-173.6177.5-140.300110.7D230 C273 S348D230-M350 HydrophobicContact CB-CE 4.27Å; C273-M350 HydrophobicContact CB-CE 4.13Å; S348-M350 PolarHBondContact O-N 2.89Å; S348-M350 VanDerWaalsContact OG-CB 3.26Å; S348-M350 WeakPolarHBondContact OG-CB 3.42Å; S348-M350 PolarHBondContact OG-N 3.41Å
351T97.9Very high97.7Very high110 Ų11072.5 Ų72.568%0.67538%0.381SS*.  trans-75.4126.5177.2-55.80000110.5Q353T351-Q353 PolarHBondContact O-N 3.01Å
352N98.6Very high97.8Very high41 Ų4169.6 Ų69.622%0.21937%0.369CS..  trans-72.2113.4171-174.6-5.8000110.1G231 D233 S236 N354G231-N352 VanDerWaalsContact O-CA 3.24Å; G231-N352 WeakPolarHBondContact O-CA 3.44Å; G231-N352 WeakPolarHBondContact O-CB 3.39Å; D233-N352 VanDerWaalsContact CG-ND2 3.3Å; D233-N352 PolarHBondContact OD1-ND2 3.19Å; D233-N352 PolarHBondContact OD2-ND2 2.89Å; S236-N352 PolarHBondContact OG-ND2 2.95Å; S236-N352 VanDerWaalsContact OG-ND2 3.11Å; N352-N354 VanDerWaalsContact C-N 3.29Å; N352-N354 VanDerWaalsContact OD1-CB 3.24Å; N352-N354 WeakPolarHBondContact OD1-CB 2.92Å; N352-N354 PolarHBondContact OD1-N 3.05Å; N352-N354 PolarHBondContact OD1-ND2 3.21Å
353Q98.6Very high97.8Very high92 Ų9268 Ų6843%0.4336%0.361SS..  trans-87.21.3-179.3-60.7-174.931.800113.4R229 D230 T351 T355R229-Q353 HydrophobicContact CB-CB 3.89Å; R229-Q353 WeakPolarHBondContact CD-O 3.37Å; D230-Q353 PolarHBondContact O-N 2.94Å; T351-Q353 PolarHBondContact O-N 3.01Å; Q353-T355 PolarHBondContact O-N 3.15Å
354N98.6Very high97.8Very high4 Ų472.3 Ų72.32%0.02138%0.382CS..  trans-94.887.5-179.1-56.4-86.3000109.5R229 D230 N352 Y358 L359R229-N354 PolarHBondContact N-OD1 3.3Å; R229-N354 PolarHBondContact O-ND2 3.35Å; D230-N354 PolarHBondContact O-ND2 2.83Å; N352-N354 VanDerWaalsContact C-N 3.29Å; N352-N354 VanDerWaalsContact OD1-CB 3.24Å; N352-N354 WeakPolarHBondContact OD1-CB 2.92Å; N352-N354 PolarHBondContact OD1-N 3.05Å; N352-N354 PolarHBondContact OD1-ND2 3.21Å; N354-Y358 HydrophobicContact CB-CD1 4.41Å; N354-L359 HydrophobicContact CB-CD1 4.14Å; N354-L359 HydrophobicContact CB-CD2 3.92Å; N354-L359 HydrophobicContact CB-CG 4.04Å
355T98.4Very high97.8Very high73 Ų7376.5 Ų76.545%0.44840%0.396SS..  trans-66.3154.2177.379.80000111.2Q353 E357 Y358 L359Q353-T355 PolarHBondContact O-N 3.15Å; T355-E357 VanDerWaalsContact CB-OE2 3.26Å; T355-E357 WeakPolarHBondContact CB-OE2 3.36Å; T355-E357 PolarHBondContact O-N 3.33Å; T355-E357 PolarHBondContact OG1-OE2 2.77Å; T355-Y358 WeakPolarHBondContact O-CA 3.49Å; T355-Y358 WeakPolarHBondContact O-CB 3.39Å; T355-Y358 PolarHBondContact O-N 3.31Å; T355-Y358 PolarHBondContact OG1-N 3.09Å; T355-L359 PolarHBondContact O-N 3.2Å
356N98.1Very high97.8Very high114 Ų11475.3 Ų75.361%0.6139%0.39SS*.Hα-helixtrans-56.5-37.9178.7-70-23.4000112.1Y358 L359 E360N356-Y358 VanDerWaalsContact C-N 3.34Å; N356-Y358 PolarHBondContact O-N 3.34Å; N356-L359 PolarHBondContact O-N 3.06Å; N356-E360 WeakPolarHBondContact O-CB 3.46Å; N356-E360 WeakPolarHBondContact O-CG 3.4Å; N356-E360 PolarHBondContact O-N 2.82Å
357E98.3Very high97.9Very high139 Ų13972.5 Ų72.565%0.6537%0.365SS*.Hα-helixtrans-65.9-37.8177.3-5573.9-158.500111.8T355 K361T355-E357 VanDerWaalsContact CB-OE2 3.26Å; T355-E357 WeakPolarHBondContact CB-OE2 3.36Å; T355-E357 PolarHBondContact O-N 3.33Å; T355-E357 PolarHBondContact OG1-OE2 2.77Å; E357-K361 WeakPolarHBondContact O-CB 3.39Å; E357-K361 PolarHBondContact O-N 3.44Å; E357-K361 VanDerWaalsContact O-N 3.09Å
358Y98.4Very high98Very high51 Ų5174.1 Ų74.120%0.237%0.366CS..Hα-helixtrans-64.2-49.8175.7172.4-99.4000110.7P227 R229 N354 T355 N356 K361 I362P227-Y358 PolarHBondContact O-OH 3.04Å; R229-Y358 HydrophobicContact CG-CE1 4.38Å; N354-Y358 HydrophobicContact CB-CD1 4.41Å; T355-Y358 WeakPolarHBondContact O-CA 3.49Å; T355-Y358 WeakPolarHBondContact O-CB 3.39Å; T355-Y358 PolarHBondContact O-N 3.31Å; T355-Y358 PolarHBondContact OG1-N 3.09Å; N356-Y358 VanDerWaalsContact C-N 3.34Å; N356-Y358 PolarHBondContact O-N 3.34Å; Y358-K361 PolarHBondContact O-N 2.74Å; Y358-I362 HydrophobicContact CD1-CD1 4.16Å; Y358-I362 HydrophobicContact CD2-CD1 4.36Å; Y358-I362 HydrophobicContact CE1-CD1 3.51Å; Y358-I362 HydrophobicContact CE2-CD1 3.75Å; Y358-I362 PolarHBondContact O-N 3.46Å; Y358-I362 WeakPolarHBondContact OH-CD1 3.41Å
359L98.6Very high98.1Very high6 Ų673.4 Ų73.43%0.03136%0.358CS..Hα-helixtrans-62.4-51179.8-66.7178.9000111.4Y226 L228 I240 N354 T355 N356 K361 I362 K363Y226-L359 HydrophobicContact CE1-CD2 3.97Å; Y226-L359 PolarHBondContact OH-O 2.89Å; L228-L359 HydrophobicContact CD2-CD2 3.74Å; I240-L359 HydrophobicContact CD1-CD2 4.44Å; I240-L359 HydrophobicContact CG2-CB 4.03Å; I240-L359 HydrophobicContact CG2-CD1 4.25Å; I240-L359 HydrophobicContact CG2-CD2 4.33Å; I240-L359 HydrophobicContact CG2-CG 4.44Å; N354-L359 HydrophobicContact CB-CD1 4.14Å; N354-L359 HydrophobicContact CB-CD2 3.92Å; N354-L359 HydrophobicContact CB-CG 4.04Å; T355-L359 PolarHBondContact O-N 3.2Å; N356-L359 PolarHBondContact O-N 3.06Å; L359-K361 VanDerWaalsContact C-N 3.28Å; L359-K361 PolarHBondContact O-N 3.15Å; L359-I362 PolarHBondContact O-N 2.84Å; L359-K363 WeakPolarHBondContact O-CB 3.45Å; L359-K363 PolarHBondContact O-N 3.49Å
360E97.9Very high98.1Very high82 Ų8265.5 Ų65.538%0.38332%0.316SS..Hα-helixtrans-58.8-39.9178.8-75.9-59.2145.600112.3N356 I362 K363 Q364N356-E360 WeakPolarHBondContact O-CB 3.46Å; N356-E360 WeakPolarHBondContact O-CG 3.4Å; N356-E360 PolarHBondContact O-N 2.82Å; E360-I362 VanDerWaalsContact C-N 3.35Å; E360-I362 PolarHBondContact O-N 3.33Å; E360-K363 PolarHBondContact O-N 3.11Å; E360-K363 WeakPolarHBondContact OE1-CE 3.26Å; E360-K363 IonicContact OE1-NZ 2.82Å; E360-K363 PolarHBondContact OE1-NZ 2.79Å; E360-K363 WeakPolarHBondContact OE2-CE 3.09Å; E360-K363 IonicContact OE2-NZ 2.67Å; E360-K363 PolarHBondContact OE2-NZ 2.82Å; E360-Q364 VanDerWaalsContact O-CG 3.25Å; E360-Q364 WeakPolarHBondContact O-CG 3.5Å; E360-Q364 PolarHBondContact O-N 3.42Å
361K98.4Very high98.1Very high150 Ų15068.8 Ų68.865%0.65232%0.324SS*.Hα-helixtrans-62.4-41178.9-174.8178.7-178.8-179.10112.6E357 Y358 L359 R365E357-K361 WeakPolarHBondContact O-CB 3.39Å; E357-K361 PolarHBondContact O-N 3.44Å; E357-K361 VanDerWaalsContact O-N 3.09Å; Y358-K361 PolarHBondContact O-N 2.74Å; L359-K361 VanDerWaalsContact C-N 3.28Å; L359-K361 PolarHBondContact O-N 3.15Å; K361-R365 PolarHBondContact O-N 3.06Å
362I98.6Very high98Very high8 Ų869 Ų694%0.04132%0.319CS..Hα-helixtrans-66.8-50.7175.6-67.5175.5000109.7L211 Y226 P227 Y358 L359 E360 Q364 R365 L366L211-I362 HydrophobicContact CD1-CG2 3.96Å; L211-I362 HydrophobicContact CD2-CG1 4.22Å; Y226-I362 HydrophobicContact CD1-CG2 3.71Å; Y226-I362 HydrophobicContact CD2-CG2 4.13Å; Y226-I362 HydrophobicContact CE1-CB 3.91Å; Y226-I362 HydrophobicContact CE1-CD1 4.21Å; Y226-I362 HydrophobicContact CE1-CG2 3.53Å; Y226-I362 HydrophobicContact CE2-CG2 3.98Å; Y226-I362 HydrophobicContact CG-CG2 4Å; P227-I362 HydrophobicContact CG-CD1 4.13Å; P227-I362 VanDerWaalsContact O-CD1 3.26Å; P227-I362 WeakPolarHBondContact O-CD1 3.37Å; Y358-I362 HydrophobicContact CD1-CD1 4.16Å; Y358-I362 HydrophobicContact CD2-CD1 4.36Å; Y358-I362 HydrophobicContact CE1-CD1 3.51Å; Y358-I362 HydrophobicContact CE2-CD1 3.75Å; Y358-I362 PolarHBondContact O-N 3.46Å; Y358-I362 WeakPolarHBondContact OH-CD1 3.41Å; L359-I362 PolarHBondContact O-N 2.84Å; E360-I362 VanDerWaalsContact C-N 3.35Å; E360-I362 PolarHBondContact O-N 3.33Å; I362-Q364 VanDerWaalsContact C-N 3.3Å; I362-Q364 PolarHBondContact O-N 3.29Å; I362-R365 WeakPolarHBondContact O-CB 3.38Å; I362-R365 PolarHBondContact O-N 3.35Å; I362-R365 VanDerWaalsContact O-N 3.07Å; I362-L366 HydrophobicContact CG2-CD1 4.04Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; I362-L366 WeakPolarHBondContact O-CG 3.37Å; I362-L366 PolarHBondContact O-N 3.01Å
363K98.3Very high97.7Very high26 Ų2667.5 Ų67.511%0.11331%0.311CS..Hα-helixtrans-53.9-45.5179.7-169.2177.272.4-1720112.2Y226 P243 V244 L359 E360 R365 L366 F367Y226-K363 HydrophobicContact CE2-CB 4.34Å; P243-K363 HydrophobicContact CB-CD 4.25Å; V244-K363 HydrophobicContact CG2-CG 4.1Å; L359-K363 WeakPolarHBondContact O-CB 3.45Å; L359-K363 PolarHBondContact O-N 3.49Å; E360-K363 PolarHBondContact O-N 3.11Å; E360-K363 WeakPolarHBondContact OE1-CE 3.26Å; E360-K363 IonicContact OE1-NZ 2.82Å; E360-K363 PolarHBondContact OE1-NZ 2.79Å; E360-K363 WeakPolarHBondContact OE2-CE 3.09Å; E360-K363 IonicContact OE2-NZ 2.67Å; E360-K363 PolarHBondContact OE2-NZ 2.82Å; K363-R365 PolarHBondContact O-N 3.49Å; K363-L366 PolarHBondContact O-N 2.94Å; K363-F367 HydrophobicContact CD-CE2 4.38Å; K363-F367 HydrophobicContact CG-CD2 4Å; K363-F367 HydrophobicContact CG-CE2 3.73Å; K363-F367 WeakPolarHBondContact O-CD2 3.45Å; K363-F367 PolarHBondContact O-N 2.9Å
364Q98.2Very high97.1Very high90 Ų9066.5 Ų66.542%0.42131%0.312SS..Hα-helixtrans-61.5-43.2178-69-63-18.500112.4E360 I362 L366 F367 E368E360-Q364 VanDerWaalsContact O-CG 3.25Å; E360-Q364 WeakPolarHBondContact O-CG 3.5Å; E360-Q364 PolarHBondContact O-N 3.42Å; I362-Q364 VanDerWaalsContact C-N 3.3Å; I362-Q364 PolarHBondContact O-N 3.29Å; Q364-L366 PolarHBondContact O-N 3.28Å; Q364-F367 WeakPolarHBondContact O-CB 3.41Å; Q364-F367 PolarHBondContact O-N 3.01Å; Q364-E368 WeakPolarHBondContact O-CG 3.42Å; Q364-E368 PolarHBondContact O-N 3.4Å
365R98.4Very high95.6Very high125 Ų12573.5 Ų73.547%0.47235%0.345SS..Hα-helixtrans-62.6-41.2174.9-95.6-176171.6-168.91.1112.6L211 K361 I362 K363 F367 E368 N369L211-R365 HydrophobicContact CD1-CB 4.36Å; L211-R365 HydrophobicContact CD2-CB 4.24Å; L211-R365 VanDerWaalsContact CD2-CD 3.48Å; K361-R365 PolarHBondContact O-N 3.06Å; I362-R365 WeakPolarHBondContact O-CB 3.38Å; I362-R365 PolarHBondContact O-N 3.35Å; I362-R365 VanDerWaalsContact O-N 3.07Å; K363-R365 PolarHBondContact O-N 3.49Å; R365-F367 VanDerWaalsContact C-N 3.3Å; R365-F367 PolarHBondContact O-N 2.93Å; R365-E368 WeakPolarHBondContact O-CB 3.21Å; R365-E368 PolarHBondContact O-N 2.77Å; R365-N369 PolarHBondContact O-N 2.93Å
366L98.3Very high93.6Very high3 Ų373.4 Ų73.42%0.01635%0.352CS..Hα-helixtrans-64.5-38175.6-64.9-177000111.4L211 V224 Y226 I362 K363 Q364 E368 N369 L370L211-L366 HydrophobicContact CD1-CD2 3.51Å; L211-L366 HydrophobicContact CD1-CG 3.99Å; V224-L366 HydrophobicContact CG1-CD1 4.17Å; V224-L366 HydrophobicContact CG1-CD2 4.09Å; Y226-L366 HydrophobicContact CD2-CD1 3.37Å; Y226-L366 HydrophobicContact CE2-CD1 3.93Å; Y226-L366 HydrophobicContact CG-CD1 4.01Å; I362-L366 HydrophobicContact CG2-CD1 4.04Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; I362-L366 WeakPolarHBondContact O-CG 3.37Å; I362-L366 PolarHBondContact O-N 3.01Å; K363-L366 PolarHBondContact O-N 2.94Å; Q364-L366 PolarHBondContact O-N 3.28Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-E368 PolarHBondContact O-N 3.32Å; L366-N369 PolarHBondContact O-N 2.93Å; L366-L370 WeakPolarHBondContact O-CB 3.46Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.19Å; L366-L370 PolarHBondContact O-N 3.13Å
367F98.3Very high91.6Very high41 Ų4170.4 Ų70.418%0.1834%0.338CS..Hα-helixtrans-65.5-36.3174.5-85.9-129.9000112.1P243 V244 K247 K363 Q364 R365 R371P243-F367 HydrophobicContact CB-CZ 4.07Å; P243-F367 WeakPolarHBondContact O-CZ 3.37Å; V244-F367 HydrophobicContact CG2-CE2 4.14Å; K247-F367 HydrophobicContact CB-CE1 4.23Å; K247-F367 HydrophobicContact CB-CE2 4.24Å; K247-F367 HydrophobicContact CB-CZ 3.97Å; K247-F367 HydrophobicContact CD-CE1 4.44Å; K247-F367 HydrophobicContact CG-CD1 4.31Å; K247-F367 HydrophobicContact CG-CE1 4.25Å; K247-F367 HydrophobicContact CG-CZ 4.42Å; K363-F367 HydrophobicContact CD-CE2 4.38Å; K363-F367 HydrophobicContact CG-CD2 4Å; K363-F367 HydrophobicContact CG-CE2 3.73Å; K363-F367 WeakPolarHBondContact O-CD2 3.45Å; K363-F367 PolarHBondContact O-N 2.9Å; Q364-F367 WeakPolarHBondContact O-CB 3.41Å; Q364-F367 PolarHBondContact O-N 3.01Å; R365-F367 VanDerWaalsContact C-N 3.3Å; R365-F367 PolarHBondContact O-N 2.93Å; F367-R371 VanDerWaalsContact O-CG 3.24Å; F367-R371 WeakPolarHBondContact O-CG 3.49Å; F367-R371 PolarHBondContact O-N 3.21Å; F367-R371 VanDerWaalsContact O-N 3.09Å
368E97.9Very high89.4Confident107 Ų10767.2 Ų67.250%0.534%0.343SS..Hα-helixtrans-62.3-45.2171.7-71.2170.1178.300111.5Q364 R365 L366 R371Q364-E368 WeakPolarHBondContact O-CG 3.42Å; Q364-E368 PolarHBondContact O-N 3.4Å; R365-E368 WeakPolarHBondContact O-CB 3.21Å; R365-E368 PolarHBondContact O-N 2.77Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-E368 PolarHBondContact O-N 3.32Å; E368-R371 PolarHBondContact O-N 3.47Å
369N97.8Very high87.4Confident39 Ų3970.1 Ų70.121%0.20937%0.366CS..Hα-helixtrans-61.6-47175.6-70.6-16.8000111.7I214 Y221 R365 L366 R371 M372I214-N369 WeakPolarHBondContact CG2-ND2 3.48Å; Y221-N369 HydrophobicContact CD1-CB 4.04Å; R365-N369 PolarHBondContact O-N 2.93Å; L366-N369 PolarHBondContact O-N 2.93Å; N369-R371 VanDerWaalsContact C-N 3.26Å; N369-R371 PolarHBondContact O-N 3.18Å; N369-M372 VanDerWaalsContact O-CB 3.25Å; N369-M372 WeakPolarHBondContact O-CB 3.28Å; N369-M372 PolarHBondContact O-N 3.4Å
370L97Very high85.3Confident0 Ų077.5 Ų77.50%040%0.4CS..Hα-helixtrans-64.5-28.4-179.4-72.6169000113M194 V224 K247 V248 M251 L366 M372 L373M194-L370 HydrophobicContact CE-CD2 4.19Å; M194-L370 HydrophobicContact SD-CD2 4.4Å; V224-L370 HydrophobicContact CG2-CD2 4.11Å; K247-L370 HydrophobicContact CB-CD1 4Å; K247-L370 HydrophobicContact CG-CB 4.15Å; K247-L370 HydrophobicContact CG-CD1 3.81Å; V248-L370 HydrophobicContact CG2-CD1 3.99Å; V248-L370 HydrophobicContact CG2-CD2 4Å; M251-L370 WeakPolarHBondContact CE-O 3.31Å; M251-L370 HydrophobicContact CG-CB 4.46Å; L366-L370 WeakPolarHBondContact O-CB 3.46Å; L366-L370 VanDerWaalsContact O-CG 3.31Å; L366-L370 WeakPolarHBondContact O-CG 3.19Å; L366-L370 PolarHBondContact O-N 3.13Å; L370-M372 PolarHBondContact O-N 3.32Å; L370-L373 PolarHBondContact O-N 2.99Å
371R95.6Very high83.3Confident144 Ų14482 Ų8254%0.54342%0.423SS..THydrogen-bonded Turntrans-66.5-16.9173.4-75.9170-169.9148.24.6113.4F367 E368 N369 L373F367-R371 VanDerWaalsContact O-CG 3.24Å; F367-R371 WeakPolarHBondContact O-CG 3.49Å; F367-R371 PolarHBondContact O-N 3.21Å; F367-R371 VanDerWaalsContact O-N 3.09Å; E368-R371 PolarHBondContact O-N 3.47Å; N369-R371 VanDerWaalsContact C-N 3.26Å; N369-R371 PolarHBondContact O-N 3.18Å; R371-L373 VanDerWaalsContact C-N 3.27Å
372M95Very high81.6Confident113 Ų11381.3 Ų81.356%0.55742%0.422SS*.THydrogen-bonded Turntrans-78-12.6178.5-58.8-58.9-61.400113Y221 N369 L370Y221-M372 HydrophobicContact CD1-CB 4.13Å; Y221-M372 HydrophobicContact CD1-CG 4.26Å; Y221-M372 HydrophobicContact CD2-CB 3.69Å; Y221-M372 HydrophobicContact CD2-CG 4.4Å; Y221-M372 HydrophobicContact CE1-CB 4.18Å; Y221-M372 HydrophobicContact CE1-CG 3.9Å; Y221-M372 HydrophobicContact CE2-CB 3.75Å; Y221-M372 HydrophobicContact CE2-CE 4.44Å; Y221-M372 HydrophobicContact CE2-CG 4.07Å; Y221-M372 HydrophobicContact CG-CB 3.88Å; Y221-M372 HydrophobicContact CG-CG 4.49Å; N369-M372 VanDerWaalsContact O-CB 3.25Å; N369-M372 WeakPolarHBondContact O-CB 3.28Å; N369-M372 PolarHBondContact O-N 3.4Å; L370-M372 PolarHBondContact O-N 3.32Å
373L92.4Very high79.9Confident11 Ų1185.2 Ų85.26%0.05846%0.455CS..SBendtrans-70.2142.9176.1-90.672.1000111.6M194 Y221 Y222 M251 F252 L370 R371 H375M194-L373 HydrophobicContact CE-CD1 4.31Å; M194-L373 HydrophobicContact CE-CD2 3.46Å; M194-L373 VanDerWaalsContact CE-CD2 3.46Å; Y221-L373 WeakPolarHBondContact O-CD1 3.44Å; Y222-L373 HydrophobicContact CD1-CD2 4.44Å; Y222-L373 HydrophobicContact CE1-CD2 3.91Å; Y222-L373 HydrophobicContact CE1-CG 4.31Å; Y222-L373 HydrophobicContact CE2-CG 4.44Å; M251-L373 HydrophobicContact CB-CB 4.35Å; M251-L373 HydrophobicContact CB-CD2 4.34Å; M251-L373 HydrophobicContact CE-CB 4.26Å; F252-L373 HydrophobicContact CB-CD2 4.26Å; F252-L373 HydrophobicContact CD2-CD2 4.25Å; L370-L373 PolarHBondContact O-N 2.99Å; R371-L373 VanDerWaalsContact C-N 3.27Å; L373-H375 PolarHBondContact O-N 3Å
374P85.9Confident78.6Confident70 Ų7088.5 Ų88.546%0.45547%0.473SS..  trans-68.7128.4171.929.1-32.9000110.3A376P374-A376 PolarHBondContact O-N 3.1Å; P374-A376 VanDerWaalsContact O-N 3.16Å
375H67.4Low77.6Confident151 Ų15187.4 Ų87.470%0.69947%0.474SS*.SBendtrans-74.6-1.8-175.583.979.1000114.8L373L373-H375 PolarHBondContact O-N 3Å
376A56.2Low76.6Confident72 Ų7290 Ų9060%0.59549%0.492SS*.SBendtrans-157.877.5-177.900000111.9P374P374-A376 PolarHBondContact O-N 3.1Å; P374-A376 VanDerWaalsContact O-N 3.16Å
377P56.6Low75.5Confident51 Ų5191.6 Ų91.633%0.33150%0.5SS..PPolyproline II helixtrans-76.1144.1177.830.2-33000111.8
378G53.2Low74.2Confident72 Ų7290.3 Ų90.374%0.74250%0.497SS*.PPolyproline II helixtrans-68.1142.7174.600000112.2
379V55.9Low73.1Confident112 Ų11287.4 Ų87.468%0.67948%0.484SS*.PPolyproline II helixtrans-84.7119.2175-177.80000108.5
380Q55.1Low71.3Confident160 Ų16090.8 Ų90.875%0.74851%0.509SS*.PPolyproline II helixtrans-93.5122.9175.4-171.8173.9-7.500109.1Q168 Q382Q168-Q380 PolarHBondContact OE1-O 3.01Å; Q380-Q382 PolarHBondContact O-N 2.94Å
381M55Low69.2Low177 Ų17797.9 Ų97.987%0.87254%0.542SS*.PPolyproline II helixtrans-69.3127.3175.8-65.8-69-77.600109.9
382Q63Low66.8Low136 Ų136100.3 Ų100.364%0.63656%0.559SS**  trans-127.7142.6174.9-171.5173.7-5.700109.4Q380Q380-Q382 PolarHBondContact O-N 2.94Å
383A62.4Low64.1Low89 Ų89100.6 Ų100.674%0.73657%0.572SS**PPolyproline II helixtrans-69.2131.9171.700000109.8P385A383-P385 VanDerWaalsContact O-CD 3.29Å; A383-P385 WeakPolarHBondContact O-CD 3.43Å
384I71.8Confident61.7Low95 Ų95102.7 Ų102.749%0.48760%0.596SS.*PPolyproline II helixtrans-76.1116.7-177.4-55.9175.2000108.2K165 Y166K165-I384 HydrophobicContact CB-CG2 4.36Å; Y166-I384 HydrophobicContact CD1-CD1 4.03Å; Y166-I384 HydrophobicContact CD1-CG2 4.47Å; Y166-I384 HydrophobicContact CD2-CG2 4.45Å; Y166-I384 HydrophobicContact CE1-CD1 3.89Å; Y166-I384 HydrophobicContact CE1-CG2 3.91Å; Y166-I384 HydrophobicContact CE2-CG2 3.89Å
385P75.8Confident59.5Low68 Ų68105.7 Ų105.744%0.44261%0.609SS.*PPolyproline II helixtrans-67.8159.2171.7-15.431000111.4K165 A383K165-P385 HydrophobicContact CG-CG 4.46Å; A383-P385 VanDerWaalsContact O-CD 3.29Å; A383-P385 WeakPolarHBondContact O-CD 3.43Å
386E77.8Confident58.6Low180 Ų180104 Ų10484%0.84160%0.601SS**PPolyproline II helixtrans-57.1139.7176.7-66.4-180178.100112.3K165K165-E386 WeakPolarHBondContact CE-O 3.33Å; K165-E386 PolarHBondContact NZ-O 3.04Å
387D75.8Confident58.1Low35 Ų35108.6 Ų108.619%0.18762%0.615CS.*PPolyproline II helixtrans-59.7153.2179-72.7-7.1000111.8K126 E162 Y166 I389K126-D387 WeakPolarHBondContact CE-OD2 3.4Å; E162-D387 WeakPolarHBondContact OE1-CA 3.32Å; Y166-D387 VanDerWaalsContact CE2-OD1 3.28Å; Y166-D387 WeakPolarHBondContact CE2-OD1 3.47Å; Y166-D387 PolarHBondContact OH-OD1 3.39Å; D387-I389 PolarHBondContact O-N 3.18Å
388A71.1Confident57.8Low15 Ų15114.5 Ų114.512%0.12464%0.639CS.*SBendtrans-63.8-29.6179.100000113.6V118 V122 E162V118-A388 HydrophobicContact CG1-CB 3.5Å; V118-A388 VanDerWaalsContact CG1-CB 3.5Å; V122-A388 HydrophobicContact CG2-CB 4.35Å; E162-A388 PolarHBondContact OE1-N 3.13Å; E162-A388 WeakPolarHBondContact OE2-CB 3.47Å
389I74.6Confident57.9Low45 Ų45117.3 Ų117.323%0.23163%0.633CS.*SBendtrans-114.5116-178.9-53.5173.4000107.7H57 A119 V122 D387H57-I389 WeakPolarHBondContact CE1-CD1 3.48Å; A119-I389 VanDerWaalsContact CA-CD1 3.48Å; A119-I389 HydrophobicContact CB-CD1 3.56Å; V122-I389 HydrophobicContact CG2-CD1 4.28Å; V122-I389 HydrophobicContact CG2-CG1 4.25Å; D387-I389 PolarHBondContact O-N 3.18Å
390P59.2Low57.9Low111 Ų111115.4 Ų115.472%0.72162%0.619SS**  trans-65150.3175.525.4-31.1000110.7E392P390-E392 PolarHBondContact O-N 3.5Å; P390-E392 VanDerWaalsContact O-N 3.12Å
391E52.7Low58.1Low148 Ų148113.8 Ų113.869%0.69262%0.622SS**  trans-62.9114.8177.5-60.6-154.2142.100110.5K126 S393K126-E391 VanDerWaalsContact NZ-CG 3.33Å; K126-E391 IonicContact NZ-OE1 3.96Å; K126-E391 PolarHBondContact NZ-OE1 3.3Å; E391-S393 VanDerWaalsContact C-N 3.28Å; E391-S393 PolarHBondContact O-N 3.24Å
392E45.2Very low58.5Low196 Ų196112.6 Ų112.692%0.91662%0.619SS**  trans-70.795.7153.6-77-170.2165.400106.8P390 G394P390-E392 PolarHBondContact O-N 3.5Å; P390-E392 VanDerWaalsContact O-N 3.12Å; E392-G394 PolarHBondContact O-N 3.4Å
393S39.5Very low58.8Low119 Ų119112.9 Ų112.983%0.83262%0.618SS**  trans-65.588.716457.70000108.4E391E391-S393 VanDerWaalsContact C-N 3.28Å; E391-S393 PolarHBondContact O-N 3.24Å
394G41.4Very low58.7Low54 Ų54120.4 Ų120.456%0.55763%0.627SS**  trans-129.794.4164.400000107.3E392 E396E392-G394 PolarHBondContact O-N 3.4Å; G394-E396 PolarHBondContact O-N 2.86Å
395D39.4Very low58.4Low134 Ų134119.4 Ų119.472%0.71762%0.622SS**  trans-59.2103.5166.9-72.7-41.9000107.4D397 E398D395-D397 PolarHBondContact O-N 3.31Å; D395-E398 PolarHBondContact O-N 2.79Å
396E48.7Very low58.1Low115 Ų115118.8 Ų118.854%0.53762%0.62SS.*G310 helixtrans-64-8.3178.7-68.8-177.6169.200112.1G394 E398 K412G394-E396 PolarHBondContact O-N 2.86Å; E396-E398 VanDerWaalsContact C-N 3.32Å; E396-K412 IonicContact OE1-NZ 2.84Å; E396-K412 PolarHBondContact OE1-NZ 2.89Å
397D46.8Very low57.5Low168 Ų168116.7 Ų116.790%0.89861%0.613SS**G310 helixtrans-81.2-2.7175.6-70.3-23.8000113.9D395D395-D397 PolarHBondContact O-N 3.31Å
398E49Very low56.9Low175 Ų175117.9 Ų117.982%0.81862%0.623SS**G310 helixtrans-99.14.6172.7-69.5-159165.200114.2D395 E396D395-E398 PolarHBondContact O-N 2.79Å; E396-E398 VanDerWaalsContact C-N 3.32Å
399E56.1Low56.7Low132 Ų132118.3 Ų118.362%0.61763%0.626SS**SBendtrans-80.2129.1178.7-66.8-162.9163.900112.6
400D55.8Low56.1Low72 Ų72118.9 Ų118.939%0.38563%0.634SS.*  trans-58.4119.9177.5178.4-1.1000111D402 K403D400-D402 PolarHBondContact O-N 2.61Å; D400-D402 PolarHBondContact OD1-N 2.61Å; D400-D402 VanDerWaalsContact OD1-N 3.12Å; D400-K403 HydrophobicContact CB-CD 3.9Å; D400-K403 HydrophobicContact CB-CG 3.97Å; D400-K403 WeakPolarHBondContact O-CB 3.46Å; D400-K403 PolarHBondContact O-N 3.22Å
401P59.4Low56.6Low125 Ų125117.3 Ų117.381%0.81262%0.619SS**THydrogen-bonded Turntrans-62.3-15.9-176.225.1-34.3000113.8
402D63.2Low57.4Low152 Ų152112.9 Ų112.981%0.81360%0.597SS**THydrogen-bonded Turntrans-89.50.4177.6-69.7-21.7000113.4D400D400-D402 PolarHBondContact O-N 2.61Å; D400-D402 PolarHBondContact OD1-N 2.61Å; D400-D402 VanDerWaalsContact OD1-N 3.12Å
403K69.7Low58.8Low143 Ų143110.1 Ų110.162%0.62258%0.579SS**SBendtrans-89.6138.1175.3-71.2-179.8-170.4165.50111.4D400 I405D400-K403 HydrophobicContact CB-CD 3.9Å; D400-K403 HydrophobicContact CB-CG 3.97Å; D400-K403 WeakPolarHBondContact O-CB 3.46Å; D400-K403 PolarHBondContact O-N 3.22Å; K403-I405 PolarHBondContact O-N 3.07Å; K403-I405 VanDerWaalsContact O-N 3.09Å
404R60.3Low60.5Low246 Ų246108.4 Ų108.493%0.92856%0.559SS**PPolyproline II helixtrans-57.8117.2173.4177.2178.5-89.8-138-6.6109.5S406R404-S406 PolarHBondContact O-N 3.49Å
405I65.1Low62Low74 Ų74108.2 Ų108.238%0.37955%0.553SS.*PPolyproline II helixtrans-56.5133.7176.2-59.2154.2000109.1K403 S409K403-I405 PolarHBondContact O-N 3.07Å; K403-I405 VanDerWaalsContact O-N 3.09Å; I405-S409 VanDerWaalsContact CG2-CB 3.49Å
406S70.3Confident63.4Low56 Ų56105.2 Ų105.239%0.39254%0.541SS..PPolyproline II helixtrans-66.4152.7176.887.90000110.6R404 C408 S409 S410R404-S406 PolarHBondContact O-N 3.49Å; S406-C408 PolarHBondContact O-N 2.99Å; S406-C408 PolarHBondContact OG-N 3.04Å; S406-S409 PolarHBondContact O-N 3.38Å; S406-S409 PolarHBondContact OG-N 3.14Å; S406-S409 PolarHBondContact OG-OG 3.02Å; S406-S410 PolarHBondContact O-N 3.14Å
407I65.1Low63.7Low135 Ų135107 Ų10769%0.69255%0.55SS*.Hα-helixtrans-56.5-36.9175.8-64.2169.2000110.7S409 S410 D411I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 2.82Å; I407-S410 WeakPolarHBondContact CA-OG 3.3Å; I407-S410 PolarHBondContact O-N 3.26Å; I407-S410 PolarHBondContact O-OG 3.41Å; I407-D411 WeakPolarHBondContact O-CB 3.28Å; I407-D411 PolarHBondContact O-N 3.37Å
408C63.3Low64.3Low60 Ų60107.1 Ų107.141%0.40555%0.545SS..Hα-helixtrans-63.3-41.9176.2-176.80000111.7S406 D411 K412S406-C408 PolarHBondContact O-N 2.99Å; S406-C408 PolarHBondContact OG-N 3.04Å; C408-D411 PolarHBondContact O-N 2.71Å; C408-K412 WeakPolarHBondContact O-CG 3.37Å; C408-K412 PolarHBondContact O-N 3.1Å
409S66.3Low64.4Low25 Ų25105.5 Ų105.518%0.17554%0.537CS..Hα-helixtrans-72-31.3179.3-50.50000112.2I405 S406 I407I405-S409 VanDerWaalsContact CG2-CB 3.49Å; S406-S409 PolarHBondContact O-N 3.38Å; S406-S409 PolarHBondContact OG-N 3.14Å; S406-S409 PolarHBondContact OG-OG 3.02Å; I407-S409 VanDerWaalsContact C-N 3.34Å; I407-S409 PolarHBondContact O-N 2.82Å
410S61.9Low63.9Low57 Ų57109.1 Ų109.140%0.39955%0.551SS.*Hα-helixtrans-69.5-40.2173.459.30000112.2S406 I407 K412 R413S406-S410 PolarHBondContact O-N 3.14Å; I407-S410 WeakPolarHBondContact CA-OG 3.3Å; I407-S410 PolarHBondContact O-N 3.26Å; I407-S410 PolarHBondContact O-OG 3.41Å; S410-K412 PolarHBondContact O-N 3.03Å; S410-R413 PolarHBondContact O-N 3.47Å
411D68.8Low63.5Low77 Ų77109.2 Ų109.241%0.41256%0.558SS.*Hα-helixtrans-68.9-20.7-178.9-69.9-8.6000113I53 I407 C408I53-D411 HydrophobicContact CB-CB 4.26Å; I53-D411 PolarHBondContact N-O 3.5Å; I407-D411 WeakPolarHBondContact O-CB 3.28Å; I407-D411 PolarHBondContact O-N 3.37Å; C408-D411 PolarHBondContact O-N 2.71Å
412K70.8Confident63Low55 Ų55109.4 Ų109.424%0.23955%0.552CS.*THydrogen-bonded Turntrans-76.5-21.5174.3-71.9179.7-168.1-178.40113.8Y54 E396 C408 S410 I414Y54-K412 HydrophobicContact CE1-CD 4.14Å; Y54-K412 HydrophobicContact CE1-CG 4.13Å; E396-K412 IonicContact OE1-NZ 2.84Å; E396-K412 PolarHBondContact OE1-NZ 2.89Å; C408-K412 WeakPolarHBondContact O-CG 3.37Å; C408-K412 PolarHBondContact O-N 3.1Å; S410-K412 PolarHBondContact O-N 3.03Å; K412-I414 PolarHBondContact O-N 3.09Å
413R74.1Confident62.3Low138 Ų138105.4 Ų105.452%0.52154%0.536SS..PPolyproline II helixtrans-75125-173.6-70.3-177.7178.6-173.2-3111.2S410 E424S410-R413 PolarHBondContact O-N 3.47Å; R413-E424 IonicContact NH1-OE2 3.72Å
414I75.8Confident61.3Low83 Ų83107 Ų10743%0.42655%0.545SS..PPolyproline II helixtrans-91130.1170-66.8171.1000108.5R49 E52 K412R49-I414 WeakPolarHBondContact O-CG2 3.43Å; E52-I414 HydrophobicContact CG-CD1 3.76Å; E52-I414 HydrophobicContact CG-CG1 4.19Å; K412-I414 PolarHBondContact O-N 3.09Å
415A72.6Confident60.6Low51 Ų51104.1 Ų104.142%0.42154%0.543SS..PPolyproline II helixtrans-71.9138.3178.200000111.2R49R49-A415 HydrophobicContact CB-CB 4.17Å; R49-A415 PolarHBondContact O-N 2.94Å
416C68.4Low59.6Low71 Ų71109.1 Ų109.148%0.4857%0.565SS.*PPolyproline II helixtrans-73.5134.5175.8-1690000110.4E418 E419C416-E418 PolarHBondContact O-N 3.43Å; C416-E418 VanDerWaalsContact O-N 3.12Å; C416-E419 HydrophobicContact CB-CB 4.48Å; C416-E419 HydrophobicContact CB-CG 3.98Å; C416-E419 PolarHBondContact O-N 3.25Å
417E55.3Low57.9Low152 Ų152109.5 Ų109.571%0.7158%0.577SS**THydrogen-bonded Turntrans-64.7-16.5-179.6-66.2-165.6149.800113.5R8R8-E417 IonicContact CZ-OE1 3.08Å; R8-E417 IonicContact NH1-OE1 2.75Å; R8-E417 PolarHBondContact NH1-OE1 3.27Å
418E59.1Low56.5Low171 Ų171112.6 Ų112.680%0.79959%0.588SS**THydrogen-bonded Turntrans-94.1-2.1179.5-60.6-170.6172.500113.8C416 F420C416-E418 PolarHBondContact O-N 3.43Å; C416-E418 VanDerWaalsContact O-N 3.12Å; E418-F420 PolarHBondContact O-N 3.12Å
419E52Low55.1Low141 Ų141113.6 Ų113.666%0.65961%0.609SS**  trans-85.7105177.9-76.8178.2170.500111.2C416 S421C416-E419 HydrophobicContact CB-CB 4.48Å; C416-E419 HydrophobicContact CB-CG 3.98Å; C416-E419 PolarHBondContact O-N 3.25Å; E419-S421 PolarHBondContact O-N 3.2Å
420F44Very low53.5Low207 Ų207115.6 Ų115.691%0.90863%0.633SS**  trans-83.216.5176.3-83.5-90000113.9E418E418-F420 PolarHBondContact O-N 3.12Å
421S47.2Very low52.5Low75 Ų75125.3 Ų125.352%0.52466%0.661SS.*  trans-128.6110.4-169.6-149.20000111.9E419 S423E419-S421 PolarHBondContact O-N 3.2Å; S421-S423 PolarHBondContact O-N 3.17Å; S421-S423 VanDerWaalsContact O-N 3.11Å; S421-S423 WeakPolarHBondContact OG-CB 3.35Å; S421-S423 PolarHBondContact OG-OG 3.43Å
422D49.2Very low51Low129 Ų129131 Ų13169%0.6968%0.683SS**  trans-74.520.7166-75.7-43.5000111.5R49 E424R49-D422 IonicContact CZ-OD1 3.18Å; R49-D422 IonicContact NH1-OD1 3.49Å; R49-D422 PolarHBondContact NH1-OD1 3.32Å; R49-D422 VanDerWaalsContact NH1-OD1 3.09Å; R49-D422 IonicContact NH2-OD1 2.82Å; D422-E424 PolarHBondContact O-N 3Å
423S48.2Very low49.3Very low68 Ų68135 Ų13548%0.47671%0.706SS.*G310 helixtrans-84.22.1-160.161.30000116.7S421 E425 E426S421-S423 PolarHBondContact O-N 3.17Å; S421-S423 VanDerWaalsContact O-N 3.11Å; S421-S423 WeakPolarHBondContact OG-CB 3.35Å; S421-S423 PolarHBondContact OG-OG 3.43Å; S423-E425 PolarHBondContact O-N 2.93Å; S423-E426 PolarHBondContact O-N 3.47Å
424E49.5Very low47.7Very low175 Ų175134.4 Ų134.482%0.81872%0.724SS**G310 helixtrans-69.8-11.6170.2-64.3-160.216400112.3R413 D422R413-E424 IonicContact NH1-OE2 3.72Å; D422-E424 PolarHBondContact O-N 3Å
425E45.1Very low45.8Very low186 Ų186133.9 Ų133.987%0.86973%0.727SS**G310 helixtrans-96.2-2.1174.6-139.5178.9-177.800114.1S423S423-E425 PolarHBondContact O-N 2.93Å
426E43.7Very low44.3Very low180 Ų180139.4 Ų139.484%0.84175%0.75SS**  trans-113.656.9176.4-66.7-133.816200112S423S423-E426 PolarHBondContact O-N 3.47Å
427G35.7Very low42.6Very low63 Ų63145 Ų14565%0.64977%0.766SS**SBendtrans-13298.7172.100000111.8
428E35.8Very low41.6Very low200 Ų200147.3 Ų147.394%0.93577%0.774SS**SBendtrans78.282.4169.6-56.8-164.1159.300119
429G33.9Very low40.4Very low82 Ų82148.7 Ų148.785%0.84578%0.777SS**  85.280.6119.100000119.4
430G32.7Very low39.4Very low66 Ų66146.7 Ų146.768%0.6879%0.785SS**  trans99.3106.2135.300000117.1K432G430-K432 PolarHBondContact O-N 3.33Å
431R40.1Very low38.8Very low261 Ų261146.5 Ų146.599%0.98578%0.784SS**  trans-51.2102.2158.1-73.4176.4175.4153.50109.9
432K37.7Very low38Very low198 Ų198155.1 Ų155.186%0.86180%0.804SS**  trans-96.7106.2169.3-78.9179.7-178.6166.40109.8G430G430-K432 PolarHBondContact O-N 3.33Å
433N35.8Very low37Very low138 Ų138155.5 Ų155.574%0.73881%0.811SS**  trans-59.6131.6171-158.50.4000110.1S435N433-S435 PolarHBondContact O-N 3.38Å
434S39.5Very low36.1Very low126 Ų126161.6 Ų161.688%0.88183%0.829SS**SBendtrans-78.325.8-171.956.50000114.9
435S37.4Very low35.2Very low72 Ų72160.1 Ų160.150%0.50383%0.832SS.*SBendtrans-124.357.4-17356.40000112.4N433N433-S435 PolarHBondContact O-N 3.38Å
436N39.3Very low34.4Very low167 Ų167159.9 Ų159.989%0.89383%0.831SS**  trans168.195.9147-90.2-31.4000110.4
437F32.7Very low33.8Very low188 Ų188159.5 Ų159.583%0.82584%0.835SS**  trans-108.6102.7166.1-160.3-98000110.2K439F437-K439 HydrophobicContact CE1-CG 4.24Å
438K34.2Very low33.5Very low201 Ų201165.7 Ų165.787%0.87485%0.847SS**  trans-88.1121.6160.4-84.8-177.4175.5176.40108.2A440K438-A440 PolarHBondContact O-N 3Å
439K35Very low33.2Very low200 Ų200165.2 Ų165.287%0.8784%0.842SS**  trans-61122.1175.6-115.2176.4178.2174.40110.5F437F437-K439 HydrophobicContact CE1-CG 4.24Å
440A31.7Very low33Very low98 Ų98168.3 Ų168.381%0.8183%0.834SS**  trans-104.8139169.100000111.2K438K438-A440 PolarHBondContact O-N 3Å
441K30.5Very low32.8Very low204 Ų204174 Ų17489%0.88784%0.84SS**PPolyproline II helixtrans-63.8143.8-174.5-84.9173.9168.3177.90113.3
442R29.6Very low32.2Very low255 Ų255168.9 Ų168.996%0.96283%0.832SS**PPolyproline II helixtrans-69.8128.4166.2-118.1176.3175175.4-2.3110.1
443V29.7Very low32.7Very low137 Ų137164.3 Ų164.383%0.8382%0.823SS**PPolyproline II helixtrans-100.7131.6166.6176.10000107.8
444K29.1Very low32.3Very low196 Ų196166.5 Ų166.585%0.85283%0.829SS**PPolyproline II helixtrans-78.1142.6173.7-79.2179.4169.2-174.60109.6
445T29.5Very low31.9Very low144 Ų144169.4 Ų169.488%0.88383%0.828SS**PPolyproline II helixtrans-102.6129.415832.40000109.2
446E29Very low31.4Very low181 Ų181175 Ų17585%0.84684%0.843SS**PPolyproline II helixtrans-85.3135.6173.5-65.7173.1159.500108.9
447D30.2Very low31Very low173 Ų173176.5 Ų176.593%0.92584%0.842SS**  trans-150.6101.3148-96.1-32.2000107
448E29.5Very low30.8Very low192 Ų192175.4 Ų175.490%0.89784%0.84SS**  trans-112.4138.5166.8-85.2-168.5167.300109.3
449K29.3Very low30.5Very low190 Ų190171.6 Ų171.683%0.82683%0.833SS**  trans173.9136.5137.7-98.2176.1-173.9-1730108.4
450E30.9Very low30.2Very low147 Ų147167.7 Ų167.769%0.68783%0.826SS**  cis-176.8154.5-2-149.7178.9-130.500107.3
451K27.6Very low30.1Very low185 Ų185171.2 Ų171.280%0.80483%0.826SS**  trans112.284.6154.8-62-176.3179.6-179.10120.9
452D28.9Very low30.1Very low154 Ų154169.6 Ų169.682%0.82482%0.821SS**  trans-23179137.1-92.8-18.4000120.9
453P47.5Very low30.2Very low102 Ų102163.8 Ų163.866%0.66281%0.805SS**  cis-145.8179.4-34.939.3-20.7000114.5
454E28.2Very low30.2Very low184 Ų184164.9 Ų164.986%0.8680%0.799SS**  trans145.2127.8149.1-84.2179.4173.100107.9
455E29.5Very low30.2Very low187 Ų187161.5 Ų161.587%0.87480%0.795SS**  cis-160.114944.5-129.8177.7177.600110.4
456K27.9Very low30.2Very low189 Ų189164.7 Ų164.782%0.82280%0.796SS**  trans-84.1152.3177.1-71.3173.4172.9178.40112.2
457K29.7Very low30.3Very low200 Ų200165 Ų16587%0.8780%0.798SS**  trans-166.198.3137.4-101.9168.3-172.6179.20107.8
458E29.3Very low30.3Very low164 Ų164166.3 Ų166.377%0.76680%0.798SS**  58.6105.692.5-79.8-166.7167.500113.6
459V28.8Very low30.5Very low122 Ų122166.9 Ų166.974%0.73980%0.798SS**  82.813185.5170.40000109.2
460T28.8Very low31.2Very low117 Ų117163.3 Ų163.372%0.71879%0.794SS**  cis-169.5140.937.57.80000105.4
461E28.6Very low31.2Very low173 Ų173165.6 Ų165.681%0.80881%0.805SS**  70.5142.778.4-113.1-177.5-168.200117.5
462E30.6Very low31.6Very low170 Ų170161.5 Ų161.579%0.79481%0.806SS**  trans83.6140.1166.1-71.2-171.9175.200119.4
463E30.9Very low31.9Very low133 Ų133164.2 Ų164.262%0.62181%0.81SS**  cis-178.2164.8-16.1-142.3-167.1172.900107.4
464K29.8Very low31.2Very low159 Ų159162.8 Ų162.869%0.69181%0.814SS**  trans88.499150.7-74.5175.2174.81210122.8
465T29.1Very low31.4Very low125 Ų125160.4 Ų160.477%0.76781%0.811SS**  42.5128113.844.90000121.4
466K30.5Very low31.7Very low212 Ų212159.6 Ų159.692%0.92281%0.805SS**  -160.2120.6124.7-107.6175.7-175.2-173.40111.7
467E31.3Very low32Very low188 Ų188157.7 Ų157.788%0.87980%0.799SS**  trans-73150.4161.5-67.5176.8129.300110.2
468E30.6Very low32.3Very low200 Ų200156.9 Ų156.994%0.93580%0.798SS**  trans-154.6135.2141.3-114.6171.3-160.200110.1
469K33.3Very low32.8Very low203 Ų203154.9 Ų154.988%0.88380%0.797SS**  trans-118176.9-177-117.9-163.7-178.9175.20108.7
470P44.3Very low33.4Very low116 Ų116159 Ų15975%0.75381%0.805SS**  trans-102.8168.2-133.340.8-31.7000114.3
471E30.8Very low34Very low195 Ų195161.4 Ų161.491%0.91181%0.813SS**  trans-116.5135.7164.8-82.1-164.8151.900112.4
472A34.8Very low35.1Very low99 Ų99161.4 Ų161.482%0.81884%0.843SS**  trans-108.7142.717000000109.3
473K35.7Very low35.3Very low210 Ų210161 Ų16191%0.91385%0.845SS**  trans-150.3127.2153.5-91.8-179.2-175.1167.50109.1
474G32.3Very low35.6Very low72 Ų72162.5 Ų162.574%0.74286%0.857SS**  trans-96.7-177.1171.200000113
475V33.1Very low35.9Very low134 Ų134162.7 Ų162.781%0.81287%0.866SS**  trans169.9131.5135.1159.30000109.2
476K35.5Very low36.3Very low170 Ų170164.9 Ų164.974%0.73987%0.872SS**  trans19161.3144.4-56.1178.7165.9-158.60120.6
477E34.6Very low36.6Very low149 Ų149161.9 Ų161.970%0.69687%0.869SS**  cis-163.1156.88.5-122.5151.2-161.800102.5
478E35.8Very low37Very low183 Ų183160.2 Ų160.286%0.85587%0.868SS**  165.1157.775.1-138-179.5-169.700109.5
479V39.5Very low37.5Very low122 Ų122157.4 Ų157.474%0.73986%0.863SS**  trans-82.7145.2-177.6170.70000111.8
480K41.5Very low37.8Very low208 Ų208153.8 Ų153.890%0.90486%0.862SS**  trans-167.7124.2137-109.2168.6-169.4176.80114.3
481L41.9Very low37.2Very low168 Ų168157 Ų15788%0.8887%0.871SS**  trans-69.3147.6157.6-82.6125.3000110.9
482A51.4Low37.8Very low174 Ų174153.5 Ų153.5100%1.43887%0.867SS**  trans-145.10145.600000108.1

Retrieved 482 of 482 residues in 190.9 ms (Link to these results)

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