A0A077ZJH1_TRITR Loading...

N-alpha-acetyltransferase 40

AlphaFold DB , UniProt , Accession A0A077ZJH1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M46.1Very low75Confident234 Ų234127.3 Ų127.3100%1.15365%0.647SS**  0128.90-61.6-165.7-175.500108.3A3M1-A3 PolarHBondContact O-N 3.35Å
2P52.4Low76.8Confident129 Ų129119.1 Ų119.184%0.83861%0.606SS**  trans-62.3133.5174.425.1-30.7000109K4P2-K4 PolarHBondContact O-N 2.94Å
3A58.2Low78.5Confident94 Ų94111.2 Ų111.278%0.77757%0.567SS**  trans-53.5126.3176.200000109M1 R5M1-A3 PolarHBondContact O-N 3.35Å; A3-R5 PolarHBondContact O-N 3.25Å
4K62.4Low79.8Confident203 Ų203114.1 Ų114.188%0.88357%0.567SS**  trans-53.9113.5172.2-83.6-176.3177.7178.10107P2 K6P2-K4 PolarHBondContact O-N 2.94Å; K4-K6 PolarHBondContact O-N 3.13Å
5R67.3Low80.9Confident230 Ų230110.8 Ų110.887%0.86856%0.556SS**  trans-51.9119.4175-172.4176-175.4168.74.6107A3 D7A3-R5 PolarHBondContact O-N 3.25Å; R5-D7 PolarHBondContact O-N 3.02Å
6K75.6Confident82Confident188 Ų188104 Ų10482%0.81752%0.522SS*.  trans-52.2127.8-179.1-73-177.2178179.20108.8K4 I8K4-K6 PolarHBondContact O-N 3.13Å; K6-I8 PolarHBondContact O-N 3.27Å
7D85Confident82.8Confident98 Ų98100.5 Ų100.552%0.52451%0.509SS..  trans-68.9103.8173.1-178.912.2000108.6R5 G9R5-D7 PolarHBondContact O-N 3.02Å; D7-G9 VanDerWaalsContact C-N 3.26Å; D7-G9 PolarHBondContact OD1-N 3.36Å
8I92Very high83.5Confident70 Ų70102.7 Ų102.736%0.35952%0.517SS..  trans-83.5-1.1179.462.1169.3000112.5K6 L11 L12K6-I8 PolarHBondContact O-N 3.27Å; I8-L11 WeakPolarHBondContact O-CB 3.21Å; I8-L11 PolarHBondContact O-N 3.34Å; I8-L11 VanDerWaalsContact O-N 3.1Å; I8-L12 HydrophobicContact CD1-CD1 4.04Å; I8-L12 HydrophobicContact CD1-CG 4.38Å; I8-L12 HydrophobicContact CG1-CD1 4.02Å; I8-L12 HydrophobicContact CG1-CG 4.36Å; I8-L12 WeakPolarHBondContact O-CG 3.07Å; I8-L12 PolarHBondContact O-N 2.95Å
9G94Very high84.2Confident1 Ų199.7 Ų99.71%0.0150%0.5CS..Hα-helixtrans-51.4-52.3-177.700000113.8D7 L11 L12 V13D7-G9 VanDerWaalsContact C-N 3.26Å; D7-G9 PolarHBondContact OD1-N 3.36Å; G9-L11 VanDerWaalsContact C-N 3.28Å; G9-L11 PolarHBondContact O-N 3.17Å; G9-L12 WeakPolarHBondContact O-CB 3.35Å; G9-L12 PolarHBondContact O-N 2.86Å; G9-L12 VanDerWaalsContact O-N 3.13Å; G9-V13 PolarHBondContact O-N 3.48Å
10P96.3Very high84.7Confident69 Ų6996.8 Ų96.845%0.44849%0.49SS..Hα-helixtrans-59.7-36.2177.9-27.336.2000113.7R14 M111P10-R14 WeakPolarHBondContact O-CB 3.49Å; P10-R14 PolarHBondContact O-N 3.08Å; P10-M111 HydrophobicContact CG-CE 4.3Å; P10-M111 HydrophobicContact CG-CG 4.4Å; P10-M111 HydrophobicContact CG-SD 4.28Å
11L96.2Very high85.3Confident84 Ų8493.3 Ų93.344%0.4448%0.476SS..Hα-helixtrans-65.6-45175.5176.861.7000111.1I8 G9 V13 R14 T15I8-L11 WeakPolarHBondContact O-CB 3.21Å; I8-L11 PolarHBondContact O-N 3.34Å; I8-L11 VanDerWaalsContact O-N 3.1Å; G9-L11 VanDerWaalsContact C-N 3.28Å; G9-L11 PolarHBondContact O-N 3.17Å; L11-V13 PolarHBondContact O-N 3.37Å; L11-R14 PolarHBondContact O-N 2.97Å; L11-T15 WeakPolarHBondContact O-CB 3.34Å; L11-T15 PolarHBondContact O-N 2.81Å; L11-T15 PolarHBondContact O-OG1 2.91Å; L11-T15 VanDerWaalsContact O-OG1 3.12Å
12L96.7Very high87.6Confident29 Ų2989.6 Ų89.615%0.15246%0.456CS..Hα-helixtrans-60.7-45.2177.9-65.9173.1000111.7I8 G9 T15 A16 P116 R150 M151I8-L12 HydrophobicContact CD1-CD1 4.04Å; I8-L12 HydrophobicContact CD1-CG 4.38Å; I8-L12 HydrophobicContact CG1-CD1 4.02Å; I8-L12 HydrophobicContact CG1-CG 4.36Å; I8-L12 WeakPolarHBondContact O-CG 3.07Å; I8-L12 PolarHBondContact O-N 2.95Å; G9-L12 WeakPolarHBondContact O-CB 3.35Å; G9-L12 PolarHBondContact O-N 2.86Å; G9-L12 VanDerWaalsContact O-N 3.13Å; L12-T15 PolarHBondContact O-N 2.8Å; L12-A16 WeakPolarHBondContact O-CB 3.42Å; L12-A16 PolarHBondContact O-N 3.13Å; L12-P116 HydrophobicContact CD1-CG 4.46Å; L12-R150 HydrophobicContact CD1-CB 4.03Å; L12-R150 HydrophobicContact CD2-CB 4.2Å; L12-M151 HydrophobicContact CB-CE 3.87Å
13V98Very high89.8Confident17 Ų1787.9 Ų87.910%0.10344%0.437CS..Hα-helixtrans-60.9-47.9176.3169.40000110.7G9 L11 T15 A16 C17 F109 M111 P116 M151G9-V13 PolarHBondContact O-N 3.48Å; L11-V13 PolarHBondContact O-N 3.37Å; V13-T15 VanDerWaalsContact C-N 3.35Å; V13-T15 PolarHBondContact O-N 2.84Å; V13-A16 PolarHBondContact O-N 3.45Å; V13-C17 WeakPolarHBondContact O-CB 3.23Å; V13-C17 PolarHBondContact O-N 3.43Å; V13-C17 PolarHBondContact O-SG 3.44Å; V13-C17 VanDerWaalsContact O-SG 3.38Å; V13-F109 HydrophobicContact CG1-CB 4.29Å; V13-F109 WeakPolarHBondContact CG1-O 3.48Å; V13-M111 HydrophobicContact CG2-CG 4.15Å; V13-M111 HydrophobicContact CG2-SD 3.79Å; V13-P116 HydrophobicContact CG2-CB 3.71Å; V13-M151 HydrophobicContact CG2-CE 4.42Å; V13-M151 HydrophobicContact CG2-SD 4.29Å
14R97Very high91.7Very high152 Ų15283.4 Ų83.457%0.57440%0.4SS*.Hα-helixtrans-58.7-46.3178.5-174.5179.968.2-173.73.9111.7P10 L11 C17 Q18P10-R14 WeakPolarHBondContact O-CB 3.49Å; P10-R14 PolarHBondContact O-N 3.08Å; L11-R14 PolarHBondContact O-N 2.97Å; R14-C17 PolarHBondContact O-N 2.93Å; R14-Q18 WeakPolarHBondContact O-CG 3.15Å; R14-Q18 PolarHBondContact O-N 2.92Å
15T97.1Very high93.3Very high64 Ų6475.2 Ų75.239%0.39337%0.368SS..Hα-helixtrans-63.8-42178.1-63.20000111.8L11 L12 V13 C17 Q18L11-T15 WeakPolarHBondContact O-CB 3.34Å; L11-T15 PolarHBondContact O-N 2.81Å; L11-T15 PolarHBondContact O-OG1 2.91Å; L11-T15 VanDerWaalsContact O-OG1 3.12Å; L12-T15 PolarHBondContact O-N 2.8Å; V13-T15 VanDerWaalsContact C-N 3.35Å; V13-T15 PolarHBondContact O-N 2.84Å; T15-C17 VanDerWaalsContact C-N 3.33Å; T15-C17 PolarHBondContact O-N 2.68Å; T15-Q18 PolarHBondContact O-N 2.89Å
16A97.3Very high94.8Very high2 Ų268.6 Ų68.62%0.01736%0.357CS..Hα-helixtrans-65.5-37.2176.400000112.1L12 V13 Q18 K19 F109 C149 M151L12-A16 WeakPolarHBondContact O-CB 3.42Å; L12-A16 PolarHBondContact O-N 3.13Å; V13-A16 PolarHBondContact O-N 3.45Å; A16-Q18 PolarHBondContact O-N 3.2Å; A16-K19 PolarHBondContact O-N 3.24Å; A16-F109 HydrophobicContact CB-CB 4.06Å; A16-F109 HydrophobicContact CB-CD1 3.83Å; A16-F109 HydrophobicContact CB-CD2 3.55Å; A16-F109 HydrophobicContact CB-CE1 4.11Å; A16-F109 HydrophobicContact CB-CE2 3.86Å; A16-F109 HydrophobicContact CB-CG 3.53Å; A16-F109 HydrophobicContact CB-CZ 4.12Å; A16-C149 HydrophobicContact CB-CB 4.14Å; A16-M151 HydrophobicContact CB-CE 4.49Å
17C96Very high95.8Very high45 Ų4562 Ų6230%0.30433%0.331SS..THydrogen-bonded Turntrans-68.7-10.5174.9-76.70000114.8V13 R14 T15 R89 F109V13-C17 WeakPolarHBondContact O-CB 3.23Å; V13-C17 PolarHBondContact O-N 3.43Å; V13-C17 PolarHBondContact O-SG 3.44Å; V13-C17 VanDerWaalsContact O-SG 3.38Å; R14-C17 PolarHBondContact O-N 2.93Å; T15-C17 VanDerWaalsContact C-N 3.33Å; T15-C17 PolarHBondContact O-N 2.68Å; C17-R89 PolarHBondContact O-NH2 3.02Å; C17-F109 PolarHBondContact SG-O 2.62Å
18Q95.7Very high96.4Very high140 Ų14057.6 Ų57.665%0.65431%0.307SS*.THydrogen-bonded Turntrans-95.6-12.4175.6-72.6172.3-3200113.1R14 T15 A16 S20R14-Q18 WeakPolarHBondContact O-CG 3.15Å; R14-Q18 PolarHBondContact O-N 2.92Å; T15-Q18 PolarHBondContact O-N 2.89Å; A16-Q18 PolarHBondContact O-N 3.2Å; Q18-S20 PolarHBondContact O-N 2.79Å
19K96Very high96.6Very high45 Ų4562.2 Ų62.220%0.19633%0.327CS..  trans-69.5130.3-179.9-66-177.7179.4-62.30111.3A16 E23 L24 L27 R89A16-K19 PolarHBondContact O-N 3.24Å; K19-E23 WeakPolarHBondContact CA-OE2 2.84Å; K19-E23 HydrophobicContact CB-CB 4.16Å; K19-E23 HydrophobicContact CG-CB 4.49Å; K19-L24 HydrophobicContact CB-CD2 3.65Å; K19-L24 HydrophobicContact CB-CG 4.15Å; K19-L24 HydrophobicContact CD-CD2 3.96Å; K19-L24 HydrophobicContact CG-CD2 4.44Å; K19-L27 HydrophobicContact CD-CD2 4.16Å; K19-R89 PolarHBondContact O-NH2 3.21Å
20S95.5Very high96.8Very high41 Ų4163.2 Ų63.229%0.28733%0.332SS..  trans-68.6162.816965.40000111.9Q18 Q22 E23 L24Q18-S20 PolarHBondContact O-N 2.79Å; S20-Q22 PolarHBondContact O-N 3.17Å; S20-E23 WeakPolarHBondContact CB-OE2 3.1Å; S20-E23 PolarHBondContact N-OE2 3.41Å; S20-E23 PolarHBondContact O-N 2.92Å; S20-E23 VanDerWaalsContact OG-CG 3.29Å; S20-E23 WeakPolarHBondContact OG-CG 3.43Å; S20-E23 PolarHBondContact OG-N 2.83Å; S20-E23 PolarHBondContact OG-OE2 3.29Å; S20-L24 WeakPolarHBondContact O-CG 3.49Å; S20-L24 PolarHBondContact O-N 2.93Å
21A95.6Very high96.8Very high25 Ų2565.1 Ų65.121%0.20734%0.335CS..Hα-helixtrans-56.3-38.1174.900000113.3L24 S25 F41A21-L24 PolarHBondContact O-N 3.19Å; A21-S25 WeakPolarHBondContact O-CB 3.39Å; A21-S25 PolarHBondContact O-N 2.89Å; A21-S25 PolarHBondContact O-OG 3.34Å; A21-F41 HydrophobicContact CB-CB 4.08Å; A21-F41 VanDerWaalsContact CB-O 3.26Å; A21-F41 WeakPolarHBondContact CB-O 3.44Å
22Q95.9Very high96.7Very high156 Ų15665.6 Ų65.673%0.72934%0.343SS*.Hα-helixtrans-66.7-44.6176.7-70.8177.2-7.500111.2S20 L24 S25 S26S20-Q22 PolarHBondContact O-N 3.17Å; Q22-L24 PolarHBondContact O-N 2.9Å; Q22-S25 WeakPolarHBondContact O-CB 3.23Å; Q22-S25 PolarHBondContact O-N 3.38Å; Q22-S26 PolarHBondContact O-N 2.85Å; Q22-S26 PolarHBondContact O-OG 2.89Å
23E97.8Very high96.8Very high93 Ų9366.2 Ų66.244%0.43535%0.35SS..Hα-helixtrans-62.4-40.7176-73.4168.6104.100112.3K19 S20 S25 S26 L27K19-E23 WeakPolarHBondContact CA-OE2 2.84Å; K19-E23 HydrophobicContact CB-CB 4.16Å; K19-E23 HydrophobicContact CG-CB 4.49Å; S20-E23 WeakPolarHBondContact CB-OE2 3.1Å; S20-E23 PolarHBondContact N-OE2 3.41Å; S20-E23 PolarHBondContact O-N 2.92Å; S20-E23 VanDerWaalsContact OG-CG 3.29Å; S20-E23 WeakPolarHBondContact OG-CG 3.43Å; S20-E23 PolarHBondContact OG-N 2.83Å; S20-E23 PolarHBondContact OG-OE2 3.29Å; E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 3.24Å; E23-S26 PolarHBondContact O-N 3.5Å; E23-L27 WeakPolarHBondContact O-CB 3.02Å; E23-L27 PolarHBondContact O-N 3.09Å
24L97.7Very high96.8Very high0 Ų067.5 Ų67.50%035%0.354CS..Hα-helixtrans-62-42175-61.7177.5000111.2K19 S20 A21 Q22 L27 F41 F107 F109 L145K19-L24 HydrophobicContact CB-CD2 3.65Å; K19-L24 HydrophobicContact CB-CG 4.15Å; K19-L24 HydrophobicContact CD-CD2 3.96Å; K19-L24 HydrophobicContact CG-CD2 4.44Å; S20-L24 WeakPolarHBondContact O-CG 3.49Å; S20-L24 PolarHBondContact O-N 2.93Å; A21-L24 PolarHBondContact O-N 3.19Å; Q22-L24 PolarHBondContact O-N 2.9Å; L24-L27 PolarHBondContact O-N 2.97Å; L24-F41 HydrophobicContact CB-CB 4.32Å; L24-F41 HydrophobicContact CB-CD1 4.47Å; L24-F41 HydrophobicContact CB-CD2 3.64Å; L24-F41 HydrophobicContact CB-CE2 4.01Å; L24-F41 HydrophobicContact CB-CG 3.9Å; L24-F41 HydrophobicContact CD1-CB 4.35Å; L24-F41 HydrophobicContact CD1-CD1 4.25Å; L24-F41 HydrophobicContact CD1-CG 4.23Å; L24-F107 HydrophobicContact CD1-CZ 4.42Å; L24-F109 HydrophobicContact CD2-CE2 4.29Å; L24-F109 HydrophobicContact CD2-CZ 4.44Å; L24-L145 HydrophobicContact CB-CD1 4.21Å; L24-L145 HydrophobicContact CD2-CD1 3.83Å; L24-L145 HydrophobicContact CD2-CD2 4.17Å; L24-L145 HydrophobicContact CD2-CG 4.46Å
25S97.8Very high96.7Very high31 Ų3167.8 Ų67.822%0.21736%0.355CS..Hα-helixtrans-63.9-48.2178.8-56.20000111.4A21 Q22 E23 L27 Q29 L30A21-S25 WeakPolarHBondContact O-CB 3.39Å; A21-S25 PolarHBondContact O-N 2.89Å; A21-S25 PolarHBondContact O-OG 3.34Å; Q22-S25 WeakPolarHBondContact O-CB 3.23Å; Q22-S25 PolarHBondContact O-N 3.38Å; E23-S25 VanDerWaalsContact C-N 3.32Å; E23-S25 PolarHBondContact O-N 3.24Å; S25-L27 VanDerWaalsContact C-N 3.35Å; S25-L27 PolarHBondContact O-N 3.27Å; S25-Q29 PolarHBondContact O-N 3.47Å; S25-Q29 VanDerWaalsContact O-N 3.13Å; S25-L30 PolarHBondContact O-N 2.86Å
26S98.1Very high96.7Very high90 Ų9070.2 Ų70.263%0.62936%0.362SS*.Hα-helixtrans-64.1-39.2178.3-630000112.2Q22 E23 I28 Q29Q22-S26 PolarHBondContact O-N 2.85Å; Q22-S26 PolarHBondContact O-OG 2.89Å; E23-S26 PolarHBondContact O-N 3.5Å; S26-I28 VanDerWaalsContact C-N 3.26Å; S26-I28 PolarHBondContact O-N 3.28Å; S26-Q29 PolarHBondContact O-N 3.44Å; S26-Q29 VanDerWaalsContact O-N 3.11Å
27L97.1Very high96.7Very high51 Ų5170.1 Ų70.127%0.26736%0.361SS..Hα-helixtrans-58.3-38.1-176.6-176.162.8000112.6K19 E23 L24 S25 L145 E148K19-L27 HydrophobicContact CD-CD2 4.16Å; E23-L27 WeakPolarHBondContact O-CB 3.02Å; E23-L27 PolarHBondContact O-N 3.09Å; L24-L27 PolarHBondContact O-N 2.97Å; S25-L27 VanDerWaalsContact C-N 3.35Å; S25-L27 PolarHBondContact O-N 3.27Å; L27-L145 HydrophobicContact CD2-CD1 4.07Å; L27-E148 HydrophobicContact CD1-CB 3.83Å; L27-E148 HydrophobicContact CD1-CG 4.41Å; L27-E148 HydrophobicContact CD2-CB 3.65Å; L27-E148 HydrophobicContact CG-CB 3.45Å; L27-E148 VanDerWaalsContact CG-CB 3.45Å; L27-E148 HydrophobicContact CG-CG 4.05Å
28I96.9Very high96.8Very high4 Ų471.1 Ų71.12%0.02136%0.363CS..THydrogen-bonded Turntrans-1057.9178.667.8170.3000113.2S26 L30 F41 M141 R144 L145 E148S26-I28 VanDerWaalsContact C-N 3.26Å; S26-I28 PolarHBondContact O-N 3.28Å; I28-L30 VanDerWaalsContact C-N 3.28Å; I28-L30 HydrophobicContact CD1-CB 4.38Å; I28-L30 HydrophobicContact CD1-CD1 4.09Å; I28-L30 HydrophobicContact CG1-CB 4.07Å; I28-L30 PolarHBondContact O-N 3.03Å; I28-F41 HydrophobicContact CD1-CE2 3.77Å; I28-F41 HydrophobicContact CD1-CZ 3.85Å; I28-F41 HydrophobicContact CG1-CE2 4.25Å; I28-M141 HydrophobicContact CD1-CB 4.12Å; I28-M141 HydrophobicContact CD1-SD 4.15Å; I28-R144 HydrophobicContact CB-CB 4.3Å; I28-R144 HydrophobicContact CG2-CB 4.03Å; I28-R144 VanDerWaalsContact O-CZ 3.26Å; I28-R144 PolarHBondContact O-NH1 3.43Å; I28-R144 PolarHBondContact O-NH2 3.44Å; I28-L145 HydrophobicContact CG2-CB 4.16Å; I28-L145 HydrophobicContact CG2-CD1 3.96Å; I28-E148 HydrophobicContact CG2-CB 4.49Å; I28-E148 HydrophobicContact CG2-CG 4.01Å
29Q97.1Very high96.9Very high167 Ų16764.7 Ų64.778%0.7833%0.334SS*.THydrogen-bonded Turntrans45.356.9-171.4-58.4175.427.500110.4S25 S26 Q31S25-Q29 PolarHBondContact O-N 3.47Å; S25-Q29 VanDerWaalsContact O-N 3.13Å; S26-Q29 PolarHBondContact O-N 3.44Å; S26-Q29 VanDerWaalsContact O-N 3.11Å; Q29-Q31 PolarHBondContact O-N 3.48Å
30L97.7Very high97Very high22 Ų2265.5 Ų65.512%0.11534%0.344CS..  trans-55.5128.7-172.4177.865.2000110.3S25 I28 P32 I39 F41 L91 M141S25-L30 PolarHBondContact O-N 2.86Å; I28-L30 VanDerWaalsContact C-N 3.28Å; I28-L30 HydrophobicContact CD1-CB 4.38Å; I28-L30 HydrophobicContact CD1-CD1 4.09Å; I28-L30 HydrophobicContact CG1-CB 4.07Å; I28-L30 PolarHBondContact O-N 3.03Å; L30-P32 WeakPolarHBondContact O-CD 3.24Å; L30-I39 HydrophobicContact CD1-CG2 3.94Å; L30-I39 HydrophobicContact CD2-CG2 4.18Å; L30-I39 HydrophobicContact CG-CG2 4.33Å; L30-F41 HydrophobicContact CD1-CE2 4.46Å; L30-F41 HydrophobicContact CD2-CD2 3.77Å; L30-F41 HydrophobicContact CD2-CE2 3.87Å; L30-L91 HydrophobicContact CD1-CD1 4.39Å; L30-L91 HydrophobicContact CD2-CD1 4.36Å; L30-M141 HydrophobicContact CD1-CB 4.47Å; L30-M141 HydrophobicContact CD1-CG 3.85Å; L30-M141 HydrophobicContact CD1-SD 3.85Å
31Q95Very high97.1Very high109 Ų10964 Ų6451%0.50933%0.332SS..  trans-65.9119.9169.1-70.9-179.1-1500107.9Q29 S33 F137Q29-Q31 PolarHBondContact O-N 3.48Å; Q31-S33 PolarHBondContact O-N 3.38Å; Q31-S33 VanDerWaalsContact O-N 3.09Å; Q31-F137 HydrophobicContact CB-CZ 4.47Å
32P95.8Very high97.1Very high94 Ų9463.6 Ų63.661%0.6133%0.329SS*.SBendtrans-73-5-171.630.9-37.1000112.8L30 I39L30-P32 WeakPolarHBondContact O-CD 3.24Å; P32-I39 PolarHBondContact O-N 3.04Å
33S97.3Very high97Very high43 Ų4358 Ų5830%0.30130%0.303SS..EExtended strand (participates in β ladder)trans-148.9156.3176.463.50000111.4Q31 T37Q31-S33 PolarHBondContact O-N 3.38Å; Q31-S33 VanDerWaalsContact O-N 3.09Å; S33-T37 CarbonylContact C-O 3.55Å; S33-T37 WeakPolarHBondContact CA-O 3.31Å; S33-T37 VanDerWaalsContact CB-O 3.23Å; S33-T37 WeakPolarHBondContact CB-O 3.28Å
34F97.7Very high96.4Very high44 Ų4454.2 Ų54.219%0.19329%0.288CS..EExtended strand (participates in β ladder)trans-137.3112.8169.9178-97.4000107.4H36 T37 I39 L134 F137F34-H36 PolarHBondContact O-N 3.27Å; F34-T37 PolarHBondContact N-O 3.05Å; F34-T37 PolarHBondContact O-N 2.96Å; F34-T37 VanDerWaalsContact O-N 3.08Å; F34-T37 PolarHBondContact O-OG1 3.35Å; F34-I39 HydrophobicContact CB-CD1 4.06Å; F34-I39 HydrophobicContact CB-CG1 3.94Å; F34-L134 HydrophobicContact CD1-CB 4.39Å; F34-L134 HydrophobicContact CD1-CD1 3.8Å; F34-L134 HydrophobicContact CE1-CB 4.12Å; F34-L134 HydrophobicContact CE1-CD1 4.35Å; F34-F137 HydrophobicContact CB-CD1 3.99Å; F34-F137 HydrophobicContact CB-CE1 3.87Å; F34-F137 HydrophobicContact CB-CE2 4.4Å; F34-F137 HydrophobicContact CB-CG 4.34Å; F34-F137 HydrophobicContact CB-CZ 4.07Å; F34-F137 HydrophobicContact CD2-CB 3.96Å; F34-F137 HydrophobicContact CD2-CD1 4.08Å; F34-F137 AromaticContact CD2-CD2 3.49Å; F34-F137 HydrophobicContact CD2-CD2 3.49Å; F34-F137 VanDerWaalsContact CD2-CD2 3.49Å; F34-F137 AromaticContact CD2-CE2 3.96Å; F34-F137 HydrophobicContact CD2-CE2 3.96Å; F34-F137 AromaticContact CD2-CG 3.55Å; F34-F137 HydrophobicContact CD2-CG 3.55Å; F34-F137 HydrophobicContact CD2-CZ 4.45Å; F34-F137 HydrophobicContact CE1-CB 4.49Å; F34-F137 HydrophobicContact CE2-CB 3.81Å; F34-F137 AromaticContact CE2-CD2 3.95Å; F34-F137 HydrophobicContact CE2-CD2 3.95Å; F34-F137 AromaticContact CE2-CG 3.92Å; F34-F137 HydrophobicContact CE2-CG 3.92Å; F34-F137 HydrophobicContact CG-CB 4.36Å; F34-F137 AromaticContact CG-CD1 3.96Å; F34-F137 HydrophobicContact CG-CD1 3.96Å; F34-F137 HydrophobicContact CG-CD2 4.2Å; F34-F137 HydrophobicContact CG-CE1 4.31Å; F34-F137 AromaticContact CG-CG 3.9Å; F34-F137 HydrophobicContact CG-CG 3.9Å; F34-F137 HydrophobicContact CZ-CB 4.08Å
35R95.5Very high95.6Very high157 Ų15758.6 Ų58.659%0.59232%0.319SS*.THydrogen-bonded Turntrans53.8-124.3-172.3-54.5179.9173.9-149.8-3.4111.1T37 A132R35-T37 VanDerWaalsContact C-N 3.29Å; R35-T37 PolarHBondContact O-N 3.47Å; R35-A132 PolarHBondContact NE-O 3.04Å; R35-A132 PolarHBondContact NH2-O 2.87Å; R35-A132 VanDerWaalsContact NH2-O 3.13Å
36H96.5Very high94.6Very high115 Ų11560.1 Ų60.153%0.53234%0.34SS..THydrogen-bonded Turntrans-91.319.5-178.6-57.8-82.7000113.1F34 K96 W129F34-H36 PolarHBondContact O-N 3.27Å; H36-K96 PolarHBondContact O-N 3.25Å; H36-W129 HydrophobicContact CB-CH2 3.73Å; H36-W129 HydrophobicContact CB-CZ3 4.08Å
37T98.2Very high93.6Very high0 Ų057.4 Ų57.40%032%0.317CS..EExtended strand (participates in β ladder)trans-119.5140177.568.50000112.2S33 F34 R35 I39 R94 A102 W129S33-T37 CarbonylContact C-O 3.55Å; S33-T37 WeakPolarHBondContact CA-O 3.31Å; S33-T37 VanDerWaalsContact CB-O 3.23Å; S33-T37 WeakPolarHBondContact CB-O 3.28Å; F34-T37 PolarHBondContact N-O 3.05Å; F34-T37 PolarHBondContact O-N 2.96Å; F34-T37 VanDerWaalsContact O-N 3.08Å; F34-T37 PolarHBondContact O-OG1 3.35Å; R35-T37 VanDerWaalsContact C-N 3.29Å; R35-T37 PolarHBondContact O-N 3.47Å; T37-I39 WeakPolarHBondContact OG1-CD1 3.47Å; T37-R94 CarbonylContact C-O 3.4Å; T37-R94 WeakPolarHBondContact CA-O 3.26Å; T37-R94 WeakPolarHBondContact CB-O 3.32Å; T37-A102 HydrophobicContact CG2-CB 3.48Å; T37-A102 VanDerWaalsContact CG2-CB 3.48Å; T37-W129 HydrophobicContact CG2-CD2 4.28Å; T37-W129 HydrophobicContact CG2-CE3 3.75Å; T37-W129 HydrophobicContact CG2-CH2 3.7Å; T37-W129 HydrophobicContact CG2-CZ2 4.24Å; T37-W129 HydrophobicContact CG2-CZ3 3.44Å; T37-W129 VanDerWaalsContact CG2-CZ3 3.44Å
38D98.2Very high92.8Very high66 Ų6657 Ų5735%0.35333%0.325SS..EExtended strand (participates in β ladder)trans-79.2139.2163.7-65.7-43.4000110.2A93 R94 K96D38-A93 CarbonylContact O-C 3.5Å; D38-A93 VanDerWaalsContact O-CA 3.31Å; D38-A93 WeakPolarHBondContact O-CA 3.48Å; D38-R94 PolarHBondContact N-O 3.47Å; D38-R94 PolarHBondContact O-N 2.97Å; D38-K96 WeakPolarHBondContact OD1-CE 3.13Å; D38-K96 IonicContact OD1-NZ 3.83Å; D38-K96 WeakPolarHBondContact OD2-CG 3.4Å
39I98.4Very high92Very high6 Ų665 Ų653%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-120.5124.4-176.4-53.4-64.7000109.3L30 P32 F34 T37 L91 L92 A93 L134 F137L30-I39 HydrophobicContact CD1-CG2 3.94Å; L30-I39 HydrophobicContact CD2-CG2 4.18Å; L30-I39 HydrophobicContact CG-CG2 4.33Å; P32-I39 PolarHBondContact O-N 3.04Å; F34-I39 HydrophobicContact CB-CD1 4.06Å; F34-I39 HydrophobicContact CB-CG1 3.94Å; T37-I39 WeakPolarHBondContact OG1-CD1 3.47Å; I39-L91 HydrophobicContact CG2-CD1 3.71Å; I39-L91 HydrophobicContact CG2-CG 4.48Å; I39-L92 WeakPolarHBondContact CA-O 3.49Å; I39-A93 HydrophobicContact CD1-CB 3.52Å; I39-L134 HydrophobicContact CD1-CD1 4.31Å; I39-F137 HydrophobicContact CB-CE1 4.42Å; I39-F137 HydrophobicContact CD1-CD1 4.48Å; I39-F137 HydrophobicContact CD1-CE1 3.87Å; I39-F137 HydrophobicContact CG1-CE1 3.74Å; I39-F137 HydrophobicContact CG1-CZ 4.21Å; I39-F137 HydrophobicContact CG2-CE1 3.94Å; I39-F137 HydrophobicContact CG2-CZ 4.39Å
40C97.3Very high91.7Very high61 Ų6163.2 Ų63.241%0.41236%0.358SS..EExtended strand (participates in β ladder)trans-147.9156.6176.865.40000112.3L92C40-L92 PolarHBondContact N-O 3.36Å; C40-L92 PolarHBondContact O-N 3.35Å
41F97.6Very high91.5Very high10 Ų1063.9 Ų63.94%0.04436%0.362CS..EExtended strand (participates in β ladder)trans-85.2151165.2-73.2-71.1000110.8A21 L24 I28 L30 Y90 L91 F107 L145A21-F41 HydrophobicContact CB-CB 4.08Å; A21-F41 VanDerWaalsContact CB-O 3.26Å; A21-F41 WeakPolarHBondContact CB-O 3.44Å; L24-F41 HydrophobicContact CB-CB 4.32Å; L24-F41 HydrophobicContact CB-CD1 4.47Å; L24-F41 HydrophobicContact CB-CD2 3.64Å; L24-F41 HydrophobicContact CB-CE2 4.01Å; L24-F41 HydrophobicContact CB-CG 3.9Å; L24-F41 HydrophobicContact CD1-CB 4.35Å; L24-F41 HydrophobicContact CD1-CD1 4.25Å; L24-F41 HydrophobicContact CD1-CG 4.23Å; I28-F41 HydrophobicContact CD1-CE2 3.77Å; I28-F41 HydrophobicContact CD1-CZ 3.85Å; I28-F41 HydrophobicContact CG1-CE2 4.25Å; L30-F41 HydrophobicContact CD1-CE2 4.46Å; L30-F41 HydrophobicContact CD2-CD2 3.77Å; L30-F41 HydrophobicContact CD2-CE2 3.87Å; F41-Y90 CarbonylContact C-O 3.47Å; F41-Y90 WeakPolarHBondContact CA-O 3.48Å; F41-Y90 WeakPolarHBondContact CD1-O 3.4Å; F41-L91 HydrophobicContact CD1-CB 4.16Å; F41-L91 HydrophobicContact CD1-CD1 3.99Å; F41-L91 HydrophobicContact CE1-CB 3.97Å; F41-L91 HydrophobicContact CE1-CD1 3.77Å; F41-L91 HydrophobicContact CE1-CG 4.35Å; F41-L91 HydrophobicContact CE2-CD1 4.42Å; F41-L91 HydrophobicContact CG-CD1 4.4Å; F41-L91 HydrophobicContact CZ-CD1 4Å; F41-F107 AromaticContact CD1-CE1 3.99Å; F41-F107 HydrophobicContact CD1-CE1 3.99Å; F41-F107 AromaticContact CD1-CZ 3.88Å; F41-F107 HydrophobicContact CD1-CZ 3.88Å; F41-F107 AromaticContact CE1-CE1 3.85Å; F41-F107 HydrophobicContact CE1-CE1 3.85Å; F41-F107 AromaticContact CE1-CZ 3.71Å; F41-F107 HydrophobicContact CE1-CZ 3.71Å; F41-L145 HydrophobicContact CE1-CD2 3.88Å; F41-L145 HydrophobicContact CZ-CD2 3.88Å
42A95.7Very high91.4Very high17 Ų1760.1 Ų60.114%0.1434%0.344CS..EExtended strand (participates in β ladder)trans-141.7163.1169.900000110.9F47 R89 Y90 L92A42-F47 HydrophobicContact CB-CE1 3.97Å; A42-F47 HydrophobicContact CB-CZ 4.09Å; A42-R89 WeakPolarHBondContact O-CA 3.45Å; A42-Y90 PolarHBondContact N-O 2.78Å; A42-Y90 PolarHBondContact O-N 3.47Å; A42-L92 HydrophobicContact CB-CD1 3.74Å; A42-L92 HydrophobicContact CB-CG 4.37Å
43I93.2Very high91.4Very high37 Ų3759.5 Ų59.519%0.1933%0.333CS..EExtended strand (participates in β ladder)trans-115.9142.8172.6-57.8178.3000106.9S45 G46 R89I43-S45 PolarHBondContact O-N 3.45Å; I43-S45 VanDerWaalsContact O-N 3.09Å; I43-G46 PolarHBondContact O-N 3.29Å; I43-R89 HydrophobicContact CG1-CG 4.49Å
44A86.5Confident91.3Very high14 Ų1460.7 Ų60.712%0.11634%0.335CS..G310 helixtrans-50.6-39.2-176.600000113.9G46 F47 S85 A88 Y90A44-G46 PolarHBondContact O-N 2.64Å; A44-G46 VanDerWaalsContact O-N 3.15Å; A44-F47 WeakPolarHBondContact O-CD2 3.39Å; A44-F47 PolarHBondContact O-N 3.21Å; A44-S85 VanDerWaalsContact CB-O 3.31Å; A44-S85 WeakPolarHBondContact CB-O 3.09Å; A44-A88 HydrophobicContact CB-CB 3.97Å; A44-A88 PolarHBondContact N-O 3.03Å; A44-Y90 HydrophobicContact CB-CE2 4.02Å
45S79.8Confident91.3Very high93 Ų9358.6 Ų58.665%0.6533%0.326SS*.G310 helixtrans-67.1-10179.559.70000114.5I43I43-S45 PolarHBondContact O-N 3.45Å; I43-S45 VanDerWaalsContact O-N 3.09Å
46G77Confident91.3Very high63 Ų6351.2 Ų51.265%0.64930%0.298SS*.G310 helixtrans-109.45-178.800000114.6I43 A44I43-G46 PolarHBondContact O-N 3.29Å; A44-G46 PolarHBondContact O-N 2.64Å; A44-G46 VanDerWaalsContact O-N 3.15Å
47F77.7Confident91.4Very high32 Ų3248.5 Ų48.514%0.1430%0.295CS..  trans-73.6138.6172.9-72.1-62.3000111.4A42 A44 D51 F52 L55 Y90 L92A42-F47 HydrophobicContact CB-CE1 3.97Å; A42-F47 HydrophobicContact CB-CZ 4.09Å; A44-F47 WeakPolarHBondContact O-CD2 3.39Å; A44-F47 PolarHBondContact O-N 3.21Å; F47-D51 HydrophobicContact CD1-CB 4.03Å; F47-F52 HydrophobicContact CB-CB 4.31Å; F47-F52 HydrophobicContact CD2-CD2 4.13Å; F47-L55 HydrophobicContact CD1-CD1 4.41Å; F47-L55 HydrophobicContact CE1-CD1 3.65Å; F47-L55 HydrophobicContact CE2-CD1 4.12Å; F47-L55 HydrophobicContact CZ-CD1 3.49Å; F47-L55 VanDerWaalsContact CZ-CD1 3.49Å; F47-Y90 HydrophobicContact CD2-CE2 4.48Å; F47-Y90 HydrophobicContact CE2-CD1 4.14Å; F47-Y90 AromaticContact CE2-CD2 3.29Å; F47-Y90 HydrophobicContact CE2-CD2 3.29Å; F47-Y90 HydrophobicContact CE2-CE1 4.17Å; F47-Y90 AromaticContact CE2-CE2 3.4Å; F47-Y90 HydrophobicContact CE2-CE2 3.4Å; F47-Y90 AromaticContact CE2-CG 3.71Å; F47-Y90 HydrophobicContact CE2-CG 3.71Å; F47-Y90 AromaticContact CE2-CZ 3.82Å; F47-Y90 AromaticContact CZ-CD1 3.83Å; F47-Y90 HydrophobicContact CZ-CD1 3.83Å; F47-Y90 AromaticContact CZ-CD2 3.48Å; F47-Y90 HydrophobicContact CZ-CD2 3.48Å; F47-Y90 VanDerWaalsContact CZ-CD2 3.48Å; F47-Y90 HydrophobicContact CZ-CE1 4.27Å; F47-Y90 HydrophobicContact CZ-CE2 4.02Å; F47-Y90 AromaticContact CZ-CG 3.39Å; F47-Y90 HydrophobicContact CZ-CG 3.39Å; F47-L92 HydrophobicContact CE1-CD1 3.75Å; F47-L92 HydrophobicContact CE1-CD2 4.14Å; F47-L92 HydrophobicContact CZ-CD1 4.41Å; F47-L92 HydrophobicContact CZ-CD2 4.19Å
48G79.5Confident91.4Very high44 Ų4449.1 Ų49.145%0.45430%0.298SS..  trans-68.8155.9156.400000110.4D50 D51 F52G48-D50 VanDerWaalsContact C-N 3.28Å; G48-D50 PolarHBondContact O-N 3.33Å; G48-D51 PolarHBondContact O-N 3.14Å; G48-F52 PolarHBondContact O-N 2.91Å
49E80.9Confident91.4Very high170 Ų17046 Ų4679%0.79428%0.281SS*.Hα-helixtrans-54.9-45.2179.8-66.4-175.2169.800111.2D51 F52 E53E49-D51 VanDerWaalsContact C-N 3.34Å; E49-D51 PolarHBondContact O-N 3.45Å; E49-F52 PolarHBondContact O-N 3.33Å; E49-E53 WeakPolarHBondContact O-CG 3.4Å; E49-E53 PolarHBondContact O-N 3.47Å
50D90.2Very high91.4Very high130 Ų13047.5 Ų47.570%0.69529%0.289SS*.Hα-helixtrans-58.3-42.1179.7-62.6-23.6000113.3G48 E53 M54G48-D50 VanDerWaalsContact C-N 3.28Å; G48-D50 PolarHBondContact O-N 3.33Å; D50-E53 PolarHBondContact O-N 3.09Å; D50-M54 WeakPolarHBondContact O-CG 3.45Å; D50-M54 PolarHBondContact O-N 2.87Å
51D93Very high91.4Very high36 Ų3650.7 Ų50.719%0.19330%0.297CS..Hα-helixtrans-67.6-43179.7-83.8-14.4000111.1F47 G48 E49 E53 M54 L55 R94 F101F47-D51 HydrophobicContact CD1-CB 4.03Å; G48-D51 PolarHBondContact O-N 3.14Å; E49-D51 VanDerWaalsContact C-N 3.34Å; E49-D51 PolarHBondContact O-N 3.45Å; D51-E53 VanDerWaalsContact C-N 3.31Å; D51-E53 PolarHBondContact O-N 3.01Å; D51-M54 PolarHBondContact O-N 2.83Å; D51-M54 WeakPolarHBondContact OD1-CE 3.48Å; D51-L55 VanDerWaalsContact O-CG 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.43Å; D51-L55 PolarHBondContact O-N 2.76Å; D51-R94 IonicContact OD1-CZ 3.66Å; D51-R94 IonicContact OD1-NH1 2.62Å; D51-R94 IonicContact OD1-NH2 2.63Å; D51-R94 PolarHBondContact OD1-NH2 3.3Å; D51-R94 IonicContact OD2-CZ 3.85Å; D51-R94 IonicContact OD2-NH2 2.64Å; D51-R94 PolarHBondContact OD2-NH2 3.18Å; D51-F101 HydrophobicContact CB-CE2 4.13Å; D51-F101 HydrophobicContact CB-CZ 4.12Å
52F94.2Very high91.5Very high30 Ų3050.8 Ų50.813%0.13230%0.299CS..Hα-helixtrans-62.9-40.7178.2-169.8-93.4000111.6F47 G48 E49 L55 M56 R80 M83F47-F52 HydrophobicContact CB-CB 4.31Å; F47-F52 HydrophobicContact CD2-CD2 4.13Å; G48-F52 PolarHBondContact O-N 2.91Å; E49-F52 PolarHBondContact O-N 3.33Å; F52-L55 PolarHBondContact O-N 3.44Å; F52-M56 HydrophobicContact CD1-CG 3.96Å; F52-M56 HydrophobicContact CE1-CG 3.62Å; F52-M56 HydrophobicContact CE1-SD 4.23Å; F52-M56 HydrophobicContact CZ-CG 4.23Å; F52-M56 HydrophobicContact CZ-SD 4.39Å; F52-M56 WeakPolarHBondContact O-CB 3.31Å; F52-M56 WeakPolarHBondContact O-CG 3.47Å; F52-M56 PolarHBondContact O-N 2.92Å; F52-R80 HydrophobicContact CE1-CB 4.3Å; F52-R80 HydrophobicContact CE1-CG 4.18Å; F52-M83 HydrophobicContact CE2-CB 3.7Å; F52-M83 HydrophobicContact CZ-CB 3.66Å
53E95.1Very high91.6Very high82 Ų8250.9 Ų50.938%0.38330%0.296SS..Hα-helixtrans-63.5-42.3175.4-67.2-48.5132.700112.4E49 D50 D51 L55 M56 A57 R80E49-E53 WeakPolarHBondContact O-CG 3.4Å; E49-E53 PolarHBondContact O-N 3.47Å; D50-E53 PolarHBondContact O-N 3.09Å; D51-E53 VanDerWaalsContact C-N 3.31Å; D51-E53 PolarHBondContact O-N 3.01Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 3.4Å; E53-M56 PolarHBondContact O-N 2.85Å; E53-A57 WeakPolarHBondContact O-CB 3.45Å; E53-A57 PolarHBondContact O-N 3.12Å; E53-R80 IonicContact OE1-CZ 3.49Å; E53-R80 IonicContact OE1-NH1 3.94Å; E53-R80 PolarHBondContact OE1-NH1 3.19Å; E53-R80 IonicContact OE1-NH2 3.69Å; E53-R80 IonicContact OE2-CZ 3.64Å; E53-R80 VanDerWaalsContact OE2-CZ 3.28Å; E53-R80 IonicContact OE2-NH1 2.79Å; E53-R80 PolarHBondContact OE2-NH1 3.03Å; E53-R80 IonicContact OE2-NH2 2.85Å; E53-R80 PolarHBondContact OE2-NH2 2.89Å
54M95.9Very high91.8Very high68 Ų6854.2 Ų54.234%0.33531%0.306SS..Hα-helixtrans-63.3-38.8176.1-72.1-172.1-76.400112.4D50 D51 A57 L58 F101D50-M54 WeakPolarHBondContact O-CG 3.45Å; D50-M54 PolarHBondContact O-N 2.87Å; D51-M54 PolarHBondContact O-N 2.83Å; D51-M54 WeakPolarHBondContact OD1-CE 3.48Å; M54-A57 PolarHBondContact O-N 3.18Å; M54-L58 WeakPolarHBondContact O-CB 3.37Å; M54-L58 PolarHBondContact O-N 2.83Å; M54-F101 HydrophobicContact CB-CD2 3.68Å; M54-F101 HydrophobicContact CB-CE2 3.94Å; M54-F101 HydrophobicContact CE-CD2 4.41Å; M54-F101 HydrophobicContact CE-CE2 4Å
55L96.8Very high92.4Very high0 Ų057.6 Ų57.60%033%0.326CS..Hα-helixtrans-66.5-42175-63.7179.1000111.8F47 D51 F52 E53 L58 L59 M83 Y90 L92 F101 F104F47-L55 HydrophobicContact CD1-CD1 4.41Å; F47-L55 HydrophobicContact CE1-CD1 3.65Å; F47-L55 HydrophobicContact CE2-CD1 4.12Å; F47-L55 HydrophobicContact CZ-CD1 3.49Å; F47-L55 VanDerWaalsContact CZ-CD1 3.49Å; D51-L55 VanDerWaalsContact O-CG 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.43Å; D51-L55 PolarHBondContact O-N 2.76Å; F52-L55 PolarHBondContact O-N 3.44Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 3.4Å; L55-L58 PolarHBondContact O-N 2.83Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 PolarHBondContact O-N 3.35Å; L55-M83 HydrophobicContact CB-CE 3.99Å; L55-Y90 HydrophobicContact CD1-CD1 4.14Å; L55-Y90 HydrophobicContact CD1-CE1 4.24Å; L55-L92 HydrophobicContact CD1-CD2 3.98Å; L55-L92 HydrophobicContact CD2-CD2 4.05Å; L55-F101 HydrophobicContact CD2-CB 4.34Å; L55-F101 HydrophobicContact CD2-CD1 4.07Å; L55-F101 HydrophobicContact CD2-CD2 3.49Å; L55-F101 VanDerWaalsContact CD2-CD2 3.49Å; L55-F101 HydrophobicContact CD2-CE1 4.23Å; L55-F101 HydrophobicContact CD2-CE2 3.66Å; L55-F101 HydrophobicContact CD2-CG 3.71Å; L55-F101 HydrophobicContact CD2-CZ 4.02Å; L55-F101 HydrophobicContact CG-CD2 4.01Å; L55-F101 HydrophobicContact CG-CE2 3.79Å; L55-F101 HydrophobicContact CG-CZ 4.28Å; L55-F104 HydrophobicContact CB-CD1 4.43Å; L55-F104 HydrophobicContact CB-CE1 4.35Å; L55-F104 HydrophobicContact CD2-CB 3.64Å; L55-F104 HydrophobicContact CD2-CD1 3.52Å; L55-F104 HydrophobicContact CD2-CD2 4.46Å; L55-F104 HydrophobicContact CD2-CE1 4.26Å; L55-F104 HydrophobicContact CD2-CG 3.65Å; L55-F104 WeakPolarHBondContact O-CE1 3.42Å
56M96.6Very high93.2Very high2 Ų256 Ų561%0.0131%0.306CS..Hα-helixtrans-62.1-43.4175.1-80.8-63.4-45.800111.8F52 E53 L59 E60 Q76 K79 R80 M83F52-M56 HydrophobicContact CD1-CG 3.96Å; F52-M56 HydrophobicContact CE1-CG 3.62Å; F52-M56 HydrophobicContact CE1-SD 4.23Å; F52-M56 HydrophobicContact CZ-CG 4.23Å; F52-M56 HydrophobicContact CZ-SD 4.39Å; F52-M56 WeakPolarHBondContact O-CB 3.31Å; F52-M56 WeakPolarHBondContact O-CG 3.47Å; F52-M56 PolarHBondContact O-N 2.92Å; E53-M56 PolarHBondContact O-N 2.85Å; M56-L59 PolarHBondContact O-N 3.48Å; M56-E60 WeakPolarHBondContact O-CB 3.24Å; M56-E60 PolarHBondContact O-N 3.11Å; M56-Q76 HydrophobicContact CE-CG 3.83Å; M56-K79 HydrophobicContact CE-CB 4.2Å; M56-R80 HydrophobicContact CE-CG 3.69Å; M56-R80 HydrophobicContact CG-CG 4.15Å; M56-R80 HydrophobicContact SD-CG 3.73Å; M56-M83 HydrophobicContact CG-CE 4.42Å; M56-M83 HydrophobicContact CG-SD 4.46Å; M56-M83 HydrophobicContact SD-CE 4.03Å; M56-M83 HydrophobicContact SD-SD 3.34Å
57A97.5Very high94.2Very high58 Ų5853.8 Ų53.848%0.47928%0.278SS..Hα-helixtrans-63-4517800000111.6E53 M54 L59 E60 E61E53-A57 WeakPolarHBondContact O-CB 3.45Å; E53-A57 PolarHBondContact O-N 3.12Å; M54-A57 PolarHBondContact O-N 3.18Å; A57-L59 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 3.36Å; A57-E60 PolarHBondContact O-N 3.2Å; A57-E61 WeakPolarHBondContact O-CB 3.4Å; A57-E61 PolarHBondContact O-N 3.05Å
58L98.3Very high95.2Very high12 Ų1257.2 Ų57.26%0.06329%0.294CS..Hα-helixtrans-64.7-37.2176.1176.857.2000112.3M54 L55 N62 F101 F104 Q124 A126M54-L58 WeakPolarHBondContact O-CB 3.37Å; M54-L58 PolarHBondContact O-N 2.83Å; L55-L58 PolarHBondContact O-N 2.83Å; L58-N62 WeakPolarHBondContact O-CB 3.15Å; L58-N62 PolarHBondContact O-N 3.41Å; L58-N62 PolarHBondContact O-ND2 3Å; L58-F101 HydrophobicContact CD2-CB 4.39Å; L58-F104 HydrophobicContact CB-CE1 4.35Å; L58-F104 HydrophobicContact CD2-CD1 3.94Å; L58-F104 HydrophobicContact CD2-CE1 4.2Å; L58-F104 HydrophobicContact CG-CD1 4.47Å; L58-F104 HydrophobicContact CG-CE1 4.23Å; L58-Q124 HydrophobicContact CG-CB 4.32Å; L58-A126 HydrophobicContact CD1-CB 3.94Å; L58-A126 HydrophobicContact CD2-CB 4.48Å
59L98.4Very high96Very high0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-62.8-48.3173.1178.459.1000111L55 M56 A57 N62 M63 W74 K79 M83 F104 E122 Q124L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 PolarHBondContact O-N 3.35Å; M56-L59 PolarHBondContact O-N 3.48Å; A57-L59 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 3.36Å; L59-N62 PolarHBondContact O-N 3.42Å; L59-M63 HydrophobicContact CD1-CB 3.9Å; L59-M63 HydrophobicContact CD1-CG 3.66Å; L59-M63 VanDerWaalsContact O-CB 3.28Å; L59-M63 WeakPolarHBondContact O-CB 3.34Å; L59-M63 PolarHBondContact O-N 3.49Å; L59-W74 HydrophobicContact CD2-CH2 4.48Å; L59-W74 HydrophobicContact CG-CH2 4.24Å; L59-K79 HydrophobicContact CD2-CD 4.13Å; L59-M83 HydrophobicContact CD2-SD 3.48Å; L59-M83 WeakPolarHBondContact CD2-SD 3.28Å; L59-F104 HydrophobicContact CB-CZ 4.11Å; L59-E122 VanDerWaalsContact CD1-CD 3.47Å; L59-E122 HydrophobicContact CD1-CG 4.08Å; L59-E122 VanDerWaalsContact CD1-OE2 3.26Å; L59-E122 WeakPolarHBondContact CD1-OE2 3.22Å; L59-E122 HydrophobicContact CD2-CG 4.38Å; L59-Q124 HydrophobicContact CD1-CG 3.9Å
60E98.3Very high96.8Very high39 Ų3952 Ų5218%0.18227%0.27CS..Hα-helixtrans-60.9-48.1-179-173.8164.317100111.5M56 A57 N62 M63 R64 W74 Q76M56-E60 WeakPolarHBondContact O-CB 3.24Å; M56-E60 PolarHBondContact O-N 3.11Å; A57-E60 PolarHBondContact O-N 3.2Å; E60-N62 PolarHBondContact O-N 3.05Å; E60-M63 PolarHBondContact O-N 3.16Å; E60-R64 HydrophobicContact CG-CB 4.02Å; E60-R64 HydrophobicContact CG-CG 4.48Å; E60-R64 WeakPolarHBondContact O-CB 3.3Å; E60-R64 PolarHBondContact O-N 3.44Å; E60-R64 IonicContact OE1-CZ 3.43Å; E60-R64 IonicContact OE1-NE 2.76Å; E60-R64 IonicContact OE1-NH1 3.6Å; E60-R64 PolarHBondContact OE1-NH1 3.19Å; E60-W74 HydrophobicContact CB-CH2 3.93Å; E60-W74 HydrophobicContact CB-CZ2 3.62Å; E60-W74 HydrophobicContact CG-CH2 4.21Å; E60-W74 HydrophobicContact CG-CZ2 3.5Å; E60-Q76 PolarHBondContact OE2-NE2 3.31Å
61E98.2Very high97Very high127 Ų12751.2 Ų51.259%0.59326%0.262SS*.Hα-helixtrans-53.1-43.1176.5-174.3-169.7162.800111.6A57A57-E61 WeakPolarHBondContact O-CB 3.4Å; A57-E61 PolarHBondContact O-N 3.05Å
62N98.4Very high97.1Very high13 Ų1355.4 Ų55.47%0.0728%0.275CS..Hα-helixtrans-84-33.2-174.2-66.6-11.1000113.9L58 L59 E60 Y66 Q124 V125 R130L58-N62 WeakPolarHBondContact O-CB 3.15Å; L58-N62 PolarHBondContact O-N 3.41Å; L58-N62 PolarHBondContact O-ND2 3Å; L59-N62 PolarHBondContact O-N 3.42Å; E60-N62 PolarHBondContact O-N 3.05Å; N62-Y66 WeakPolarHBondContact O-CD2 3.47Å; N62-Y66 WeakPolarHBondContact O-CE2 3.36Å; N62-Q124 PolarHBondContact ND2-OE1 3.45Å; N62-V125 PolarHBondContact ND2-O 2.95Å; N62-R130 PolarHBondContact OD1-NH2 3.28Å
63M98.2Very high97.1Very high18 Ų1855.3 Ų55.39%0.08928%0.283CS..Hα-helixtrans-119.1-17.1-162.1-68.8-61.9-62.100114.9L59 E60 T65 Y66 Y67 F159L59-M63 HydrophobicContact CD1-CB 3.9Å; L59-M63 HydrophobicContact CD1-CG 3.66Å; L59-M63 VanDerWaalsContact O-CB 3.28Å; L59-M63 WeakPolarHBondContact O-CB 3.34Å; L59-M63 PolarHBondContact O-N 3.49Å; E60-M63 PolarHBondContact O-N 3.16Å; M63-T65 VanDerWaalsContact C-N 3.34Å; M63-T65 PolarHBondContact O-N 3.46Å; M63-Y66 PolarHBondContact O-N 3.25Å; M63-Y66 VanDerWaalsContact O-N 3.07Å; M63-Y66 HydrophobicContact SD-CD2 4.05Å; M63-Y67 HydrophobicContact CB-CD2 3.79Å; M63-Y67 HydrophobicContact CB-CE2 3.8Å; M63-Y67 HydrophobicContact CE-CD2 4.26Å; M63-Y67 HydrophobicContact CE-CE2 3.81Å; M63-Y67 HydrophobicContact CG-CE2 4.45Å; M63-Y67 WeakPolarHBondContact O-CD2 3.49Å; M63-Y67 PolarHBondContact O-N 2.91Å; M63-F159 HydrophobicContact CE-CD2 3.94Å; M63-F159 HydrophobicContact CE-CE2 3.99Å
64R97.9Very high97.3Very high107 Ų10753.5 Ų53.540%0.40427%0.272SS..Hα-helixtrans-52.8-49.8-173.9178.7170.7178.7170.8-6.3112.9E60 Y66 Y67 E68 W74E60-R64 HydrophobicContact CG-CB 4.02Å; E60-R64 HydrophobicContact CG-CG 4.48Å; E60-R64 WeakPolarHBondContact O-CB 3.3Å; E60-R64 PolarHBondContact O-N 3.44Å; E60-R64 IonicContact OE1-CZ 3.43Å; E60-R64 IonicContact OE1-NE 2.76Å; E60-R64 IonicContact OE1-NH1 3.6Å; E60-R64 PolarHBondContact OE1-NH1 3.19Å; R64-Y66 VanDerWaalsContact C-N 3.32Å; R64-Y66 PolarHBondContact O-N 3.44Å; R64-Y67 PolarHBondContact O-N 3.48Å; R64-Y67 VanDerWaalsContact O-N 3.17Å; R64-E68 HydrophobicContact CG-CG 4.29Å; R64-E68 WeakPolarHBondContact CG-OE1 3.37Å; R64-E68 IonicContact CZ-OE1 2.82Å; R64-E68 IonicContact NE-OE1 2.79Å; R64-E68 PolarHBondContact NE-OE1 3.45Å; R64-E68 IonicContact NH2-OE1 2.77Å; R64-E68 PolarHBondContact NH2-OE1 2.71Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.12Å; R64-W74 HydrophobicContact CB-CD2 4.32Å; R64-W74 HydrophobicContact CG-CB 4.43Å; R64-W74 HydrophobicContact CG-CD2 4.17Å; R64-W74 HydrophobicContact CG-CG 3.98Å
65T97.8Very high97.3Very high85 Ų8554.8 Ų54.852%0.52128%0.28SS..Hα-helixtrans-62.2-37.3-179.553.80000112.7M63 S69M63-T65 VanDerWaalsContact C-N 3.34Å; M63-T65 PolarHBondContact O-N 3.46Å; T65-S69 WeakPolarHBondContact O-CB 3.41Å; T65-S69 PolarHBondContact O-N 3.01Å; T65-S69 VanDerWaalsContact O-N 3.11Å; T65-S69 PolarHBondContact O-OG 2.85Å
66Y98.3Very high97.3Very high60 Ų6058.3 Ų58.324%0.23530%0.297CS..Hα-helixtrans-68-40175.8-64.3-72.9000112N62 M63 R64 S69 S70 H161 N162N62-Y66 WeakPolarHBondContact O-CD2 3.47Å; N62-Y66 WeakPolarHBondContact O-CE2 3.36Å; M63-Y66 PolarHBondContact O-N 3.25Å; M63-Y66 VanDerWaalsContact O-N 3.07Å; M63-Y66 HydrophobicContact SD-CD2 4.05Å; R64-Y66 VanDerWaalsContact C-N 3.32Å; R64-Y66 PolarHBondContact O-N 3.44Å; Y66-S69 PolarHBondContact O-N 3.11Å; Y66-S70 WeakPolarHBondContact O-CB 3.5Å; Y66-S70 PolarHBondContact O-N 2.79Å; Y66-H161 AromaticContact CD1-CD2 3.89Å; Y66-H161 PolarHBondContact O-NE2 3.35Å; Y66-N162 HydrophobicContact CD1-CB 3.79Å; Y66-N162 HydrophobicContact CE1-CB 3.81Å; Y66-N162 HydrophobicContact CG-CB 4.38Å
67Y98.1Very high97.2Very high16 Ų1666.6 Ų66.66%0.06333%0.333CS..Hα-helixtrans-69.1-41.3175.3-85.1-82.1000112.3M63 R64 S69 S70 W72 G73 W74 K79 E122 F159M63-Y67 HydrophobicContact CB-CD2 3.79Å; M63-Y67 HydrophobicContact CB-CE2 3.8Å; M63-Y67 HydrophobicContact CE-CD2 4.26Å; M63-Y67 HydrophobicContact CE-CE2 3.81Å; M63-Y67 HydrophobicContact CG-CE2 4.45Å; M63-Y67 WeakPolarHBondContact O-CD2 3.49Å; M63-Y67 PolarHBondContact O-N 2.91Å; R64-Y67 PolarHBondContact O-N 3.48Å; R64-Y67 VanDerWaalsContact O-N 3.17Å; Y67-S69 PolarHBondContact O-N 3.49Å; Y67-S70 PolarHBondContact O-N 2.73Å; Y67-S70 VanDerWaalsContact O-N 3.09Å; Y67-S70 PolarHBondContact O-OG 2.99Å; Y67-W72 HydrophobicContact CD1-CB 4.47Å; Y67-W72 HydrophobicContact CD1-CE3 4.34Å; Y67-W72 AromaticContact CE1-CE3 3.74Å; Y67-W72 HydrophobicContact CE1-CE3 3.74Å; Y67-W72 HydrophobicContact CE1-CZ3 4.3Å; Y67-G73 WeakPolarHBondContact CD1-O 3.42Å; Y67-G73 CarbonylContact O-C 3.56Å; Y67-G73 VanDerWaalsContact O-C 3.31Å; Y67-G73 WeakPolarHBondContact O-CA 3.5Å; Y67-G73 PolarHBondContact O-N 3.13Å; Y67-W74 AromaticContact CD2-CE3 3.77Å; Y67-W74 HydrophobicContact CD2-CE3 3.77Å; Y67-W74 AromaticContact CD2-CZ3 3.85Å; Y67-W74 HydrophobicContact CD2-CZ3 3.85Å; Y67-W74 HydrophobicContact CE2-CZ3 4.32Å; Y67-W74 AromaticContact CG-CE3 3.88Å; Y67-W74 HydrophobicContact CG-CE3 3.88Å; Y67-W74 HydrophobicContact CG-CZ3 4.4Å; Y67-K79 WeakPolarHBondContact OH-CE 3.43Å; Y67-K79 PolarHBondContact OH-NZ 2.96Å; Y67-E122 PolarHBondContact OH-OE1 2.76Å; Y67-E122 VanDerWaalsContact OH-OE1 3.12Å; Y67-F159 AromaticContact CD1-CE2 3.91Å; Y67-F159 HydrophobicContact CD1-CE2 3.91Å; Y67-F159 AromaticContact CD1-CZ 3.62Å; Y67-F159 HydrophobicContact CD1-CZ 3.62Å; Y67-F159 HydrophobicContact CD2-CE2 4.01Å; Y67-F159 AromaticContact CE1-CE2 3.92Å; Y67-F159 HydrophobicContact CE1-CE2 3.92Å; Y67-F159 AromaticContact CE1-CZ 3.63Å; Y67-F159 HydrophobicContact CE1-CZ 3.63Å; Y67-F159 AromaticContact CE2-CE2 3.98Å; Y67-F159 HydrophobicContact CE2-CE2 3.98Å; Y67-F159 AromaticContact CG-CE2 3.93Å; Y67-F159 HydrophobicContact CG-CE2 3.93Å; Y67-F159 HydrophobicContact CG-CZ 4.08Å; Y67-F159 AromaticContact CZ-CE2 3.89Å
68E97.8Very high97.2Very high104 Ų10466.3 Ų66.349%0.48633%0.33SS..Hα-helixtrans-62.7-28.7175.5-73.7172167.200112.1R64 W74R64-E68 HydrophobicContact CG-CG 4.29Å; R64-E68 WeakPolarHBondContact CG-OE1 3.37Å; R64-E68 IonicContact CZ-OE1 2.82Å; R64-E68 IonicContact NE-OE1 2.79Å; R64-E68 PolarHBondContact NE-OE1 3.45Å; R64-E68 IonicContact NH2-OE1 2.77Å; R64-E68 PolarHBondContact NH2-OE1 2.71Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.12Å; E68-W74 HydrophobicContact CG-CB 3.81Å
69S96.3Very high97Very high89 Ų8966.7 Ų66.762%0.62233%0.332SS*.THydrogen-bonded Turntrans-89.65.9176.2-51.20000113.9T65 Y66 Y67T65-S69 WeakPolarHBondContact O-CB 3.41Å; T65-S69 PolarHBondContact O-N 3.01Å; T65-S69 VanDerWaalsContact O-N 3.11Å; T65-S69 PolarHBondContact O-OG 2.85Å; Y66-S69 PolarHBondContact O-N 3.11Å; Y67-S69 PolarHBondContact O-N 3.49Å
70S96.7Very high96.9Very high16 Ų1669.9 Ų69.911%0.11234%0.344CS..SBendtrans-110.2165.8-177.281.40000112.6Y66 Y67 W72 G73 F159 D185Y66-S70 WeakPolarHBondContact O-CB 3.5Å; Y66-S70 PolarHBondContact O-N 2.79Å; Y67-S70 PolarHBondContact O-N 2.73Å; Y67-S70 VanDerWaalsContact O-N 3.09Å; Y67-S70 PolarHBondContact O-OG 2.99Å; S70-W72 PolarHBondContact O-N 2.83Å; S70-W72 VanDerWaalsContact O-N 3.15Å; S70-W72 PolarHBondContact OG-N 3.37Å; S70-G73 PolarHBondContact O-N 3.17Å; S70-F159 WeakPolarHBondContact OG-CE1 3.45Å; S70-F159 WeakPolarHBondContact OG-CZ 3.49Å; S70-D185 WeakPolarHBondContact CA-OD2 3.47Å; S70-D185 WeakPolarHBondContact CB-OD2 3.49Å
71E94.6Very high96.7Very high114 Ų11476.3 Ų76.353%0.53337%0.371SS..THydrogen-bonded Turntrans-59.7-20.2172.1-70.3-179-165.700112.6K184 D185E71-K184 WeakPolarHBondContact OE2-CD 3.48Å; E71-K184 IonicContact OE2-NZ 3.72Å; E71-K184 PolarHBondContact OE2-NZ 3.5Å; E71-D185 PolarHBondContact N-OD2 3.07Å
72W94.8Very high96.5Very high124 Ų12473 Ų7347%0.4736%0.356SS..THydrogen-bonded Turntrans-85.6-29.4-177.7-63.9-16.3000113.4Y67 S70 T157 F159 Y186Y67-W72 HydrophobicContact CD1-CB 4.47Å; Y67-W72 HydrophobicContact CD1-CE3 4.34Å; Y67-W72 AromaticContact CE1-CE3 3.74Å; Y67-W72 HydrophobicContact CE1-CE3 3.74Å; Y67-W72 HydrophobicContact CE1-CZ3 4.3Å; S70-W72 PolarHBondContact O-N 2.83Å; S70-W72 VanDerWaalsContact O-N 3.15Å; S70-W72 PolarHBondContact OG-N 3.37Å; W72-T157 HydrophobicContact CH2-CG2 3.8Å; W72-T157 HydrophobicContact CZ3-CG2 4.46Å; W72-F159 HydrophobicContact CD2-CE1 4.08Å; W72-F159 HydrophobicContact CD2-CZ 4.3Å; W72-F159 AromaticContact CE3-CE1 3.51Å; W72-F159 HydrophobicContact CE3-CE1 3.51Å; W72-F159 AromaticContact CE3-CZ 3.42Å; W72-F159 HydrophobicContact CE3-CZ 3.42Å; W72-F159 VanDerWaalsContact CE3-CZ 3.42Å; W72-F159 AromaticContact CZ3-CE1 3.79Å; W72-F159 HydrophobicContact CZ3-CE1 3.79Å; W72-F159 AromaticContact CZ3-CZ 3.79Å; W72-F159 HydrophobicContact CZ3-CZ 3.79Å; W72-Y186 AromaticContact CE2-CD1 3.96Å; W72-Y186 AromaticContact CE2-CE1 3.86Å; W72-Y186 HydrophobicContact CH2-CD1 4.1Å; W72-Y186 HydrophobicContact CH2-CE1 4.34Å; W72-Y186 HydrophobicContact CH2-CG 4.21Å; W72-Y186 AromaticContact CZ2-CD1 3.49Å; W72-Y186 HydrophobicContact CZ2-CD1 3.49Å; W72-Y186 VanDerWaalsContact CZ2-CD1 3.49Å; W72-Y186 HydrophobicContact CZ2-CD2 4.42Å; W72-Y186 AromaticContact CZ2-CE1 3.4Å; W72-Y186 HydrophobicContact CZ2-CE1 3.4Å; W72-Y186 HydrophobicContact CZ2-CE2 4.33Å; W72-Y186 HydrophobicContact CZ2-CG 4.03Å; W72-Y186 AromaticContact CZ2-CZ 3.83Å; W72-Y186 AromaticContact NE1-CE1 3.94Å
73G95.9Very high96.4Very high28 Ų2872.4 Ų72.429%0.28935%0.352SS..  trans68170.4-171.400000113.4Y67 S70Y67-G73 WeakPolarHBondContact CD1-O 3.42Å; Y67-G73 CarbonylContact O-C 3.56Å; Y67-G73 VanDerWaalsContact O-C 3.31Å; Y67-G73 WeakPolarHBondContact O-CA 3.5Å; Y67-G73 PolarHBondContact O-N 3.13Å; S70-G73 PolarHBondContact O-N 3.17Å
74W97.5Very high96.1Very high44 Ų4473.4 Ų73.417%0.16737%0.368CS..  trans-90.9114171.3-179.9-112000110.9L59 E60 R64 Y67 E68 Q76 K79L59-W74 HydrophobicContact CD2-CH2 4.48Å; L59-W74 HydrophobicContact CG-CH2 4.24Å; E60-W74 HydrophobicContact CB-CH2 3.93Å; E60-W74 HydrophobicContact CB-CZ2 3.62Å; E60-W74 HydrophobicContact CG-CH2 4.21Å; E60-W74 HydrophobicContact CG-CZ2 3.5Å; R64-W74 HydrophobicContact CB-CD2 4.32Å; R64-W74 HydrophobicContact CG-CB 4.43Å; R64-W74 HydrophobicContact CG-CD2 4.17Å; R64-W74 HydrophobicContact CG-CG 3.98Å; Y67-W74 AromaticContact CD2-CE3 3.77Å; Y67-W74 HydrophobicContact CD2-CE3 3.77Å; Y67-W74 AromaticContact CD2-CZ3 3.85Å; Y67-W74 HydrophobicContact CD2-CZ3 3.85Å; Y67-W74 HydrophobicContact CE2-CZ3 4.32Å; Y67-W74 AromaticContact CG-CE3 3.88Å; Y67-W74 HydrophobicContact CG-CE3 3.88Å; Y67-W74 HydrophobicContact CG-CZ3 4.4Å; E68-W74 HydrophobicContact CG-CB 3.81Å; W74-Q76 HydrophobicContact CZ2-CB 4.46Å; W74-Q76 HydrophobicContact CZ2-CG 4.27Å; W74-K79 HydrophobicContact CZ3-CG 4.32Å
75N96.7Very high95.9Very high94 Ų9470 Ų7050%0.50336%0.36SS..  trans-125.194.7173.4-173.9-31.2000110.2K77 A78 K79N75-K77 VanDerWaalsContact C-N 3.31Å; N75-K77 PolarHBondContact O-N 2.67Å; N75-K77 PolarHBondContact OD1-N 3.02Å; N75-A78 HydrophobicContact CB-CB 3.92Å; N75-A78 PolarHBondContact O-N 3.11Å; N75-A78 PolarHBondContact OD1-N 3.27Å; N75-K79 PolarHBondContact O-N 3.2Å
76Q96.1Very high95.6Very high75 Ų7572.9 Ų72.935%0.3537%0.372SS..Hα-helixtrans-59.2-40-176.6-160.9-167.863.700112.3M56 E60 W74 A78 K79 R80M56-Q76 HydrophobicContact CE-CG 3.83Å; E60-Q76 PolarHBondContact OE2-NE2 3.31Å; W74-Q76 HydrophobicContact CZ2-CB 4.46Å; W74-Q76 HydrophobicContact CZ2-CG 4.27Å; Q76-A78 PolarHBondContact O-N 2.85Å; Q76-K79 PolarHBondContact O-N 3.32Å; Q76-R80 VanDerWaalsContact O-CG 3.32Å; Q76-R80 WeakPolarHBondContact O-CG 3.4Å; Q76-R80 PolarHBondContact O-N 2.9Å
77K96.3Very high95.3Very high176 Ų17672 Ų7277%0.76537%0.374SS*.Hα-helixtrans-63.6-42.3178.5-175.4178-178.5176.50111.8N75 K81N75-K77 VanDerWaalsContact C-N 3.31Å; N75-K77 PolarHBondContact O-N 2.67Å; N75-K77 PolarHBondContact OD1-N 3.02Å; K77-K81 PolarHBondContact O-N 3.38Å; K77-K81 VanDerWaalsContact O-N 3.12Å
78A96.2Very high95.2Very high51 Ų5171.2 Ų71.242%0.42137%0.371SS..Hα-helixtrans-64.6-41.9175.400000111.2N75 Q76 K81 E82N75-A78 HydrophobicContact CB-CB 3.92Å; N75-A78 PolarHBondContact O-N 3.11Å; N75-A78 PolarHBondContact OD1-N 3.27Å; Q76-A78 PolarHBondContact O-N 2.85Å; A78-K81 PolarHBondContact O-N 2.63Å; A78-E82 PolarHBondContact O-N 3Å
79K95.1Very high95.2Very high20 Ų2066.6 Ų66.69%0.08735%0.349CS..Hα-helixtrans-64.3-42.1176.9-82.2-69.1176.4-178.70113.4M56 L59 Y67 W74 N75 Q76 K81 E82 M83 E122M56-K79 HydrophobicContact CE-CB 4.2Å; L59-K79 HydrophobicContact CD2-CD 4.13Å; Y67-K79 WeakPolarHBondContact OH-CE 3.43Å; Y67-K79 PolarHBondContact OH-NZ 2.96Å; W74-K79 HydrophobicContact CZ3-CG 4.32Å; N75-K79 PolarHBondContact O-N 3.2Å; Q76-K79 PolarHBondContact O-N 3.32Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 2.92Å; K79-E82 IonicContact NZ-OE1 2.67Å; K79-E82 PolarHBondContact NZ-OE1 3.24Å; K79-E82 WeakPolarHBondContact O-CB 3.34Å; K79-E82 PolarHBondContact O-N 3.34Å; K79-M83 WeakPolarHBondContact O-CB 3.49Å; K79-M83 WeakPolarHBondContact O-CG 3.41Å; K79-M83 PolarHBondContact O-N 2.91Å; K79-E122 IonicContact NZ-OE1 2.71Å; K79-E122 PolarHBondContact NZ-OE1 2.77Å
80R94.9Very high95.3Very high68 Ų6862.3 Ų62.326%0.25732%0.319SS..Hα-helixtrans-57.7-44.6171.9-71.4175.4176.7-75.7-1.3111.9F52 E53 M56 Q76 E82 M83 G84F52-R80 HydrophobicContact CE1-CB 4.3Å; F52-R80 HydrophobicContact CE1-CG 4.18Å; E53-R80 IonicContact OE1-CZ 3.49Å; E53-R80 IonicContact OE1-NH1 3.94Å; E53-R80 PolarHBondContact OE1-NH1 3.19Å; E53-R80 IonicContact OE1-NH2 3.69Å; E53-R80 IonicContact OE2-CZ 3.64Å; E53-R80 VanDerWaalsContact OE2-CZ 3.28Å; E53-R80 IonicContact OE2-NH1 2.79Å; E53-R80 PolarHBondContact OE2-NH1 3.03Å; E53-R80 IonicContact OE2-NH2 2.85Å; E53-R80 PolarHBondContact OE2-NH2 2.89Å; M56-R80 HydrophobicContact CE-CG 3.69Å; M56-R80 HydrophobicContact CG-CG 4.15Å; M56-R80 HydrophobicContact SD-CG 3.73Å; Q76-R80 VanDerWaalsContact O-CG 3.32Å; Q76-R80 WeakPolarHBondContact O-CG 3.4Å; Q76-R80 PolarHBondContact O-N 2.9Å; R80-E82 VanDerWaalsContact C-N 3.35Å; R80-E82 PolarHBondContact O-N 2.95Å; R80-M83 PolarHBondContact O-N 2.75Å; R80-G84 PolarHBondContact O-N 2.86Å
81K94.7Very high95.4Very high174 Ų17461.6 Ų61.676%0.75731%0.314SS*.Hα-helixtrans-64.5-38.5176.8-175.3177.8179-178.80112.3K77 A78 K79 S85K77-K81 PolarHBondContact O-N 3.38Å; K77-K81 VanDerWaalsContact O-N 3.12Å; A78-K81 PolarHBondContact O-N 2.63Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 2.92Å; K81-S85 PolarHBondContact O-N 3.3Å
82E95.2Very high95.6Very high57 Ų5756.5 Ų56.527%0.26629%0.291SS..Hα-helixtrans-65.5-50.5176178.7177.493.700111.4A78 K79 R80 G84 S85 R108 Y121A78-E82 PolarHBondContact O-N 3Å; K79-E82 IonicContact NZ-OE1 2.67Å; K79-E82 PolarHBondContact NZ-OE1 3.24Å; K79-E82 WeakPolarHBondContact O-CB 3.34Å; K79-E82 PolarHBondContact O-N 3.34Å; R80-E82 VanDerWaalsContact C-N 3.35Å; R80-E82 PolarHBondContact O-N 2.95Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 2.85Å; E82-S85 WeakPolarHBondContact O-CB 3.26Å; E82-S85 PolarHBondContact O-N 3.05Å; E82-R108 PolarHBondContact O-NH2 3.26Å; E82-Y121 HydrophobicContact CG-CD1 4.37Å
83M94.6Very high95.7Very high0 Ų050.6 Ų50.60%027%0.268CS..Hα-helixtrans-66-36.2180-74.5178.765.700111.9F52 L55 M56 L59 K79 R80 S85 A88 Y90 F104F52-M83 HydrophobicContact CE2-CB 3.7Å; F52-M83 HydrophobicContact CZ-CB 3.66Å; L55-M83 HydrophobicContact CB-CE 3.99Å; M56-M83 HydrophobicContact CG-CE 4.42Å; M56-M83 HydrophobicContact CG-SD 4.46Å; M56-M83 HydrophobicContact SD-CE 4.03Å; M56-M83 HydrophobicContact SD-SD 3.34Å; L59-M83 HydrophobicContact CD2-SD 3.48Å; L59-M83 WeakPolarHBondContact CD2-SD 3.28Å; K79-M83 WeakPolarHBondContact O-CB 3.49Å; K79-M83 WeakPolarHBondContact O-CG 3.41Å; K79-M83 PolarHBondContact O-N 2.91Å; R80-M83 PolarHBondContact O-N 2.75Å; M83-S85 PolarHBondContact O-N 2.95Å; M83-A88 WeakPolarHBondContact O-CB 3.48Å; M83-Y90 WeakPolarHBondContact CA-OH 3.44Å; M83-Y90 WeakPolarHBondContact CB-OH 3.41Å; M83-Y90 HydrophobicContact CE-CE1 4.3Å; M83-Y90 PolarHBondContact O-OH 3.3Å; M83-F104 HydrophobicContact CE-CE2 4.24Å; M83-F104 HydrophobicContact CE-CZ 4.2Å
84G93.4Very high95.8Very high40 Ų4052.1 Ų52.141%0.41227%0.265SS..THydrogen-bonded Turntrans-78.65.9177.300000115.4R80 E82R80-G84 PolarHBondContact O-N 2.86Å; E82-G84 VanDerWaalsContact C-N 3.33Å; E82-G84 PolarHBondContact O-N 2.85Å
85S93.7Very high95.8Very high34 Ų3450.3 Ų50.324%0.23826%0.259CS..  trans-63.2140.3179.8179.10000112.2A44 K81 E82 M83 S87 A88A44-S85 VanDerWaalsContact CB-O 3.31Å; A44-S85 WeakPolarHBondContact CB-O 3.09Å; K81-S85 PolarHBondContact O-N 3.3Å; E82-S85 WeakPolarHBondContact O-CB 3.26Å; E82-S85 PolarHBondContact O-N 3.05Å; M83-S85 PolarHBondContact O-N 2.95Å; S85-S87 PolarHBondContact O-N 3.39Å; S85-S87 PolarHBondContact OG-N 2.99Å; S85-S87 PolarHBondContact OG-OG 3.19Å; S85-A88 WeakPolarHBondContact O-CB 3.33Å; S85-A88 PolarHBondContact O-N 3.25Å
86L90.5Very high95.9Very high147 Ų14750 Ų5077%0.7725%0.254SS*.THydrogen-bonded Turntrans-57.7-20173.5-61.7177.3000114.1
87S92.4Very high95.9Very high41 Ų4154 Ų5429%0.28727%0.272SS..THydrogen-bonded Turntrans-86.8-13.117664.60000113.7S85 R89 R108S85-S87 PolarHBondContact O-N 3.39Å; S85-S87 PolarHBondContact OG-N 2.99Å; S85-S87 PolarHBondContact OG-OG 3.19Å; S87-R89 PolarHBondContact O-NH1 3.49Å; S87-R108 VanDerWaalsContact OG-CD 3.3Å; S87-R108 WeakPolarHBondContact OG-CD 3.45Å; S87-R108 PolarHBondContact OG-NE 3.29Å
88A96.1Very high95.8Very high0 Ų049.3 Ų49.30%026%0.258CS..  trans-75.8130.3-175.500000111.9A44 M83 S85 Y90 H106A44-A88 HydrophobicContact CB-CB 3.97Å; A44-A88 PolarHBondContact N-O 3.03Å; M83-A88 WeakPolarHBondContact O-CB 3.48Å; S85-A88 WeakPolarHBondContact O-CB 3.33Å; S85-A88 PolarHBondContact O-N 3.25Å; A88-Y90 HydrophobicContact CB-CE2 3.81Å; A88-H106 WeakPolarHBondContact CB-NE2 3.23Å
89R97.8Very high95.7Very high6 Ų651.4 Ų51.42%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-122.6155176.2-71.4168166.862.715.4109.3C17 K19 A42 I43 S87 H106 F107C17-R89 PolarHBondContact O-NH2 3.02Å; K19-R89 PolarHBondContact O-NH2 3.21Å; A42-R89 WeakPolarHBondContact O-CA 3.45Å; I43-R89 HydrophobicContact CG1-CG 4.49Å; S87-R89 PolarHBondContact O-NH1 3.49Å; R89-H106 WeakPolarHBondContact O-CA 3.45Å; R89-F107 HydrophobicContact CB-CD1 4.34Å; R89-F107 HydrophobicContact CB-CD2 4.07Å; R89-F107 HydrophobicContact CB-CE1 3.92Å; R89-F107 HydrophobicContact CB-CE2 3.62Å; R89-F107 HydrophobicContact CB-CG 4.42Å; R89-F107 HydrophobicContact CB-CZ 3.54Å; R89-F107 HydrophobicContact CG-CE2 4.42Å; R89-F107 PolarHBondContact N-O 2.98Å; R89-F107 PolarHBondContact O-N 3.15Å
90Y98.2Very high95.7Very high0 Ų056.5 Ų56.50%028%0.284CS..EExtended strand (participates in β ladder)trans-134.4138.3-173-66.6-100000110.8F41 A42 A44 F47 L55 M83 A88 L92 F104 S105 H106F41-Y90 CarbonylContact C-O 3.47Å; F41-Y90 WeakPolarHBondContact CA-O 3.48Å; F41-Y90 WeakPolarHBondContact CD1-O 3.4Å; A42-Y90 PolarHBondContact N-O 2.78Å; A42-Y90 PolarHBondContact O-N 3.47Å; A44-Y90 HydrophobicContact CB-CE2 4.02Å; F47-Y90 HydrophobicContact CD2-CE2 4.48Å; F47-Y90 HydrophobicContact CE2-CD1 4.14Å; F47-Y90 AromaticContact CE2-CD2 3.29Å; F47-Y90 HydrophobicContact CE2-CD2 3.29Å; F47-Y90 HydrophobicContact CE2-CE1 4.17Å; F47-Y90 AromaticContact CE2-CE2 3.4Å; F47-Y90 HydrophobicContact CE2-CE2 3.4Å; F47-Y90 AromaticContact CE2-CG 3.71Å; F47-Y90 HydrophobicContact CE2-CG 3.71Å; F47-Y90 AromaticContact CE2-CZ 3.82Å; F47-Y90 AromaticContact CZ-CD1 3.83Å; F47-Y90 HydrophobicContact CZ-CD1 3.83Å; F47-Y90 AromaticContact CZ-CD2 3.48Å; F47-Y90 HydrophobicContact CZ-CD2 3.48Å; F47-Y90 VanDerWaalsContact CZ-CD2 3.48Å; F47-Y90 HydrophobicContact CZ-CE1 4.27Å; F47-Y90 HydrophobicContact CZ-CE2 4.02Å; F47-Y90 AromaticContact CZ-CG 3.39Å; F47-Y90 HydrophobicContact CZ-CG 3.39Å; L55-Y90 HydrophobicContact CD1-CD1 4.14Å; L55-Y90 HydrophobicContact CD1-CE1 4.24Å; M83-Y90 WeakPolarHBondContact CA-OH 3.44Å; M83-Y90 WeakPolarHBondContact CB-OH 3.41Å; M83-Y90 HydrophobicContact CE-CE1 4.3Å; M83-Y90 PolarHBondContact O-OH 3.3Å; A88-Y90 HydrophobicContact CB-CE2 3.81Å; Y90-L92 HydrophobicContact CD1-CD2 4.47Å; Y90-F104 HydrophobicContact CD1-CD2 4.14Å; Y90-F104 HydrophobicContact CE1-CD2 4.33Å; Y90-S105 CarbonylContact C-O 3.43Å; Y90-S105 WeakPolarHBondContact CA-O 2.73Å; Y90-H106 HydrophobicContact CD1-CB 4.03Å; Y90-H106 HydrophobicContact CE1-CB 3.58Å; Y90-H106 AromaticContact CE1-CG 3.95Å; Y90-H106 AromaticContact CZ-CD2 3.87Å; Y90-H106 AromaticContact CZ-CG 3.94Å
91L98.5Very high95.9Very high0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-104.3120.2159-18066000106.5L30 I39 F41 F104 S105 F107 M138 M141 L142L30-L91 HydrophobicContact CD1-CD1 4.39Å; L30-L91 HydrophobicContact CD2-CD1 4.36Å; I39-L91 HydrophobicContact CG2-CD1 3.71Å; I39-L91 HydrophobicContact CG2-CG 4.48Å; F41-L91 HydrophobicContact CD1-CB 4.16Å; F41-L91 HydrophobicContact CD1-CD1 3.99Å; F41-L91 HydrophobicContact CE1-CB 3.97Å; F41-L91 HydrophobicContact CE1-CD1 3.77Å; F41-L91 HydrophobicContact CE1-CG 4.35Å; F41-L91 HydrophobicContact CE2-CD1 4.42Å; F41-L91 HydrophobicContact CG-CD1 4.4Å; F41-L91 HydrophobicContact CZ-CD1 4Å; L91-F104 CarbonylContact O-C 3.49Å; L91-F104 VanDerWaalsContact O-CA 3.24Å; L91-F104 WeakPolarHBondContact O-CA 3.48Å; L91-S105 PolarHBondContact N-O 3.19Å; L91-S105 PolarHBondContact O-N 3.32Å; L91-F107 HydrophobicContact CB-CE1 4.37Å; L91-M138 HydrophobicContact CB-CE 4.34Å; L91-M138 HydrophobicContact CD2-CB 3.88Å; L91-M138 HydrophobicContact CD2-CE 4.26Å; L91-M138 HydrophobicContact CD2-CG 4.13Å; L91-M138 WeakPolarHBondContact CD2-O 3.32Å; L91-M138 HydrophobicContact CG-CE 4.06Å; L91-M138 WeakPolarHBondContact O-CE 3.12Å; L91-M141 HydrophobicContact CD2-CB 3.71Å; L91-M141 HydrophobicContact CD2-CG 4.29Å; L91-L142 HydrophobicContact CB-CD2 4.38Å; L91-L142 HydrophobicContact CD2-CD2 4.43Å
92L98.1Very high96Very high8 Ų845.7 Ų45.74%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-109144.1-173.8-55.2176.9000109.9I39 C40 A42 F47 L55 Y90 F101 F104I39-L92 WeakPolarHBondContact CA-O 3.49Å; C40-L92 PolarHBondContact N-O 3.36Å; C40-L92 PolarHBondContact O-N 3.35Å; A42-L92 HydrophobicContact CB-CD1 3.74Å; A42-L92 HydrophobicContact CB-CG 4.37Å; F47-L92 HydrophobicContact CE1-CD1 3.75Å; F47-L92 HydrophobicContact CE1-CD2 4.14Å; F47-L92 HydrophobicContact CZ-CD1 4.41Å; F47-L92 HydrophobicContact CZ-CD2 4.19Å; L55-L92 HydrophobicContact CD1-CD2 3.98Å; L55-L92 HydrophobicContact CD2-CD2 4.05Å; Y90-L92 HydrophobicContact CD1-CD2 4.47Å; L92-F101 HydrophobicContact CB-CD1 4.49Å; L92-F101 HydrophobicContact CB-CE1 4.04Å; L92-F101 HydrophobicContact CD1-CE1 4.04Å; L92-F101 HydrophobicContact CD1-CZ 4.37Å; L92-F101 HydrophobicContact CD2-CE1 4.1Å; L92-F101 HydrophobicContact CG-CE1 4.29Å; L92-F104 HydrophobicContact CD2-CB 3.97Å
93A98.6Very high96.2Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-126.4112168.500000109D38 I39 F101 A102 G103 L134 M138D38-A93 CarbonylContact O-C 3.5Å; D38-A93 VanDerWaalsContact O-CA 3.31Å; D38-A93 WeakPolarHBondContact O-CA 3.48Å; I39-A93 HydrophobicContact CD1-CB 3.52Å; A93-F101 CarbonylContact O-C 3.55Å; A93-F101 WeakPolarHBondContact O-CA 3.5Å; A93-A102 HydrophobicContact CB-CB 4.39Å; A93-A102 PolarHBondContact O-N 3.2Å; A93-G103 PolarHBondContact N-O 2.92Å; A93-G103 PolarHBondContact O-N 3.44Å; A93-L134 HydrophobicContact CB-CD1 3.86Å; A93-L134 HydrophobicContact CB-CD2 4.1Å; A93-L134 HydrophobicContact CB-CG 4.49Å; A93-M138 HydrophobicContact CB-CE 4.45Å; A93-M138 HydrophobicContact CB-SD 4.22Å
94R97.8Very high96.4Very high59 Ų5943 Ų4322%0.22323%0.226CC..EExtended strand (participates in β ladder)trans-111.4130.5-178.2-171176.4-66.5-156.82110.4T37 D38 D51 K96 Q99 Q100 F101T37-R94 CarbonylContact C-O 3.4Å; T37-R94 WeakPolarHBondContact CA-O 3.26Å; T37-R94 WeakPolarHBondContact CB-O 3.32Å; D38-R94 PolarHBondContact N-O 3.47Å; D38-R94 PolarHBondContact O-N 2.97Å; D51-R94 IonicContact OD1-CZ 3.66Å; D51-R94 IonicContact OD1-NH1 2.62Å; D51-R94 IonicContact OD1-NH2 2.63Å; D51-R94 PolarHBondContact OD1-NH2 3.3Å; D51-R94 IonicContact OD2-CZ 3.85Å; D51-R94 IonicContact OD2-NH2 2.64Å; D51-R94 PolarHBondContact OD2-NH2 3.18Å; R94-K96 PolarHBondContact O-N 2.98Å; R94-Q99 VanDerWaalsContact CD-O 3.23Å; R94-Q99 WeakPolarHBondContact CD-O 3.4Å; R94-Q99 VanDerWaalsContact CG-O 3.24Å; R94-Q99 WeakPolarHBondContact CG-O 3.21Å; R94-Q100 CarbonylContact C-O 3.51Å; R94-Q100 WeakPolarHBondContact CA-O 3.21Å; R94-F101 HydrophobicContact CB-CD1 4.37Å
95C98Very high96.6Very high6 Ų641 Ų414%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-62.7127.3174.1177.30000109.9E97 T98 Q99 Q100 W129C95-E97 VanDerWaalsContact C-N 3.27Å; C95-E97 PolarHBondContact O-N 2.86Å; C95-T98 WeakPolarHBondContact CB-OG1 3.47Å; C95-T98 PolarHBondContact SG-OG1 3.5Å; C95-Q99 WeakPolarHBondContact O-CA 3.4Å; C95-Q99 PolarHBondContact O-N 3.5Å; C95-Q100 PolarHBondContact N-O 2.9Å; C95-W129 HydrophobicContact CB-CH2 4.4Å; C95-W129 HydrophobicContact CB-CZ2 3.73Å
96K97.1Very high96.9Very high89 Ų8939.4 Ų39.439%0.38720%0.195SC..THydrogen-bonded Turntrans-60.4-37.9-179.3-73.8175.4171178.40112.6H36 D38 R94 Q99H36-K96 PolarHBondContact O-N 3.25Å; D38-K96 WeakPolarHBondContact OD1-CE 3.13Å; D38-K96 IonicContact OD1-NZ 3.83Å; D38-K96 WeakPolarHBondContact OD2-CG 3.4Å; R94-K96 PolarHBondContact O-N 2.98Å; K96-Q99 PolarHBondContact O-NE2 3.14Å
97E96.2Very high97.2Very high157 Ų15732.4 Ų32.473%0.73416%0.158SC*.THydrogen-bonded Turntrans-80.8-49.5-174.4-65.8170.2-164.800112.2C95C95-E97 VanDerWaalsContact C-N 3.27Å; C95-E97 PolarHBondContact O-N 2.86Å
98T95.7Very high97.5Very high79 Ų7932 Ų3249%0.48515%0.15SC..THydrogen-bonded Turntrans-94.3-11.9-173.466.70000113.6C95 Q100C95-T98 WeakPolarHBondContact CB-OG1 3.47Å; C95-T98 PolarHBondContact SG-OG1 3.5Å; T98-Q100 PolarHBondContact O-N 3.42Å; T98-Q100 PolarHBondContact OG1-N 2.9Å
99Q93.5Very high97.6Very high94 Ų9432.1 Ų32.144%0.43915%0.151SC..  trans57.89.9-171-62.9-64-5300114.8R94 C95 K96R94-Q99 VanDerWaalsContact CD-O 3.23Å; R94-Q99 WeakPolarHBondContact CD-O 3.4Å; R94-Q99 VanDerWaalsContact CG-O 3.24Å; R94-Q99 WeakPolarHBondContact CG-O 3.21Å; C95-Q99 WeakPolarHBondContact O-CA 3.4Å; C95-Q99 PolarHBondContact O-N 3.5Å; K96-Q99 PolarHBondContact O-NE2 3.14Å
100Q95.6Very high97.7Very high128 Ų12833.6 Ų33.660%0.59816%0.16SC*.  trans-80.2152.9173.5-65.3-175.9-23.300111.5R94 C95 T98 A102R94-Q100 CarbonylContact C-O 3.51Å; R94-Q100 WeakPolarHBondContact CA-O 3.21Å; C95-Q100 PolarHBondContact N-O 2.9Å; T98-Q100 PolarHBondContact O-N 3.42Å; T98-Q100 PolarHBondContact OG1-N 2.9Å; Q100-A102 PolarHBondContact O-N 3.48Å
101F97.6Very high97.6Very high14 Ų1436.9 Ų36.96%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-71.2114.1174.5-70.5-64.4000111.5D51 M54 L55 L58 L92 A93 R94 G103D51-F101 HydrophobicContact CB-CE2 4.13Å; D51-F101 HydrophobicContact CB-CZ 4.12Å; M54-F101 HydrophobicContact CB-CD2 3.68Å; M54-F101 HydrophobicContact CB-CE2 3.94Å; M54-F101 HydrophobicContact CE-CD2 4.41Å; M54-F101 HydrophobicContact CE-CE2 4Å; L55-F101 HydrophobicContact CD2-CB 4.34Å; L55-F101 HydrophobicContact CD2-CD1 4.07Å; L55-F101 HydrophobicContact CD2-CD2 3.49Å; L55-F101 VanDerWaalsContact CD2-CD2 3.49Å; L55-F101 HydrophobicContact CD2-CE1 4.23Å; L55-F101 HydrophobicContact CD2-CE2 3.66Å; L55-F101 HydrophobicContact CD2-CG 3.71Å; L55-F101 HydrophobicContact CD2-CZ 4.02Å; L55-F101 HydrophobicContact CG-CD2 4.01Å; L55-F101 HydrophobicContact CG-CE2 3.79Å; L55-F101 HydrophobicContact CG-CZ 4.28Å; L58-F101 HydrophobicContact CD2-CB 4.39Å; L92-F101 HydrophobicContact CB-CD1 4.49Å; L92-F101 HydrophobicContact CB-CE1 4.04Å; L92-F101 HydrophobicContact CD1-CE1 4.04Å; L92-F101 HydrophobicContact CD1-CZ 4.37Å; L92-F101 HydrophobicContact CD2-CE1 4.1Å; L92-F101 HydrophobicContact CG-CE1 4.29Å; A93-F101 CarbonylContact O-C 3.55Å; A93-F101 WeakPolarHBondContact O-CA 3.5Å; R94-F101 HydrophobicContact CB-CD1 4.37Å; F101-G103 VanDerWaalsContact C-N 3.28Å
102A98.4Very high97.4Very high0 Ų037.8 Ų37.80%018%0.181CC..EExtended strand (participates in β ladder)trans-71.2-28.3168.500000111.7T37 A93 Q100 A126 W129 L134T37-A102 HydrophobicContact CG2-CB 3.48Å; T37-A102 VanDerWaalsContact CG2-CB 3.48Å; A93-A102 HydrophobicContact CB-CB 4.39Å; A93-A102 PolarHBondContact O-N 3.2Å; Q100-A102 PolarHBondContact O-N 3.48Å; A102-A126 PolarHBondContact O-N 2.85Å; A102-W129 HydrophobicContact CB-CB 4.23Å; A102-W129 HydrophobicContact CB-CD2 3.53Å; A102-W129 HydrophobicContact CB-CE3 4.17Å; A102-W129 HydrophobicContact CB-CG 3.53Å; A102-W129 HydrophobicContact CB-CZ2 4.36Å; A102-L134 HydrophobicContact CB-CD2 3.81Å
103G98.5Very high96.9Very high0 Ų045.7 Ų45.70%021%0.212CC..EExtended strand (participates in β ladder)trans-177.8166.5172.800000112.8A93 F101 Q124A93-G103 PolarHBondContact N-O 2.92Å; A93-G103 PolarHBondContact O-N 3.44Å; F101-G103 VanDerWaalsContact C-N 3.28Å; G103-Q124 CarbonylContact C-O 3.59Å; G103-Q124 WeakPolarHBondContact CA-O 3.26Å
104F98.5Very high96.4Very high0 Ų049.9 Ų49.90%024%0.241CC..EExtended strand (participates in β ladder)trans-146158.8171.374.5-89.4000110.7L55 L58 L59 M83 Y90 L91 L92 H106 E122 I123 Q124 M138L55-F104 HydrophobicContact CB-CD1 4.43Å; L55-F104 HydrophobicContact CB-CE1 4.35Å; L55-F104 HydrophobicContact CD2-CB 3.64Å; L55-F104 HydrophobicContact CD2-CD1 3.52Å; L55-F104 HydrophobicContact CD2-CD2 4.46Å; L55-F104 HydrophobicContact CD2-CE1 4.26Å; L55-F104 HydrophobicContact CD2-CG 3.65Å; L55-F104 WeakPolarHBondContact O-CE1 3.42Å; L58-F104 HydrophobicContact CB-CE1 4.35Å; L58-F104 HydrophobicContact CD2-CD1 3.94Å; L58-F104 HydrophobicContact CD2-CE1 4.2Å; L58-F104 HydrophobicContact CG-CD1 4.47Å; L58-F104 HydrophobicContact CG-CE1 4.23Å; L59-F104 HydrophobicContact CB-CZ 4.11Å; M83-F104 HydrophobicContact CE-CE2 4.24Å; M83-F104 HydrophobicContact CE-CZ 4.2Å; Y90-F104 HydrophobicContact CD1-CD2 4.14Å; Y90-F104 HydrophobicContact CE1-CD2 4.33Å; L91-F104 CarbonylContact O-C 3.49Å; L91-F104 VanDerWaalsContact O-CA 3.24Å; L91-F104 WeakPolarHBondContact O-CA 3.48Å; L92-F104 HydrophobicContact CD2-CB 3.97Å; F104-H106 HydrophobicContact CD2-CB 4.45Å; F104-H106 HydrophobicContact CE2-CB 4.21Å; F104-E122 HydrophobicContact CE2-CB 3.92Å; F104-E122 HydrophobicContact CZ-CB 4.42Å; F104-I123 WeakPolarHBondContact O-CA 3.36Å; F104-Q124 HydrophobicContact CD1-CB 3.91Å; F104-Q124 HydrophobicContact CE1-CB 3.52Å; F104-Q124 HydrophobicContact CE1-CG 3.75Å; F104-Q124 HydrophobicContact CE2-CG 4.29Å; F104-Q124 HydrophobicContact CZ-CB 3.91Å; F104-Q124 HydrophobicContact CZ-CG 3.6Å; F104-Q124 PolarHBondContact N-O 3.46Å; F104-Q124 PolarHBondContact O-N 2.83Å; F104-M138 VanDerWaalsContact C-CE 3.41Å; F104-M138 VanDerWaalsContact CA-CE 3.46Å
105S98.7Very high96.2Very high0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-125.5128.7157.8-178.90000110.2Y90 L91 C120 E122 L142Y90-S105 CarbonylContact C-O 3.43Å; Y90-S105 WeakPolarHBondContact CA-O 2.73Å; L91-S105 PolarHBondContact N-O 3.19Å; L91-S105 PolarHBondContact O-N 3.32Å; S105-C120 PolarHBondContact OG-SG 3.48Å; S105-E122 CarbonylContact C-O 3.58Å; S105-E122 WeakPolarHBondContact CA-O 3.45Å; S105-E122 WeakPolarHBondContact CB-O 3.12Å; S105-E122 PolarHBondContact OG-O 2.82Å; S105-L142 WeakPolarHBondContact OG-CD1 2.75Å
106H98.3Very high96.2Very high0 Ų049.2 Ų49.20%024%0.241CC..EExtended strand (participates in β ladder)trans-92.2122.9167.6169.4-149.8000108.4A88 R89 Y90 F104 Y121 E122A88-H106 WeakPolarHBondContact CB-NE2 3.23Å; R89-H106 WeakPolarHBondContact O-CA 3.45Å; Y90-H106 HydrophobicContact CD1-CB 4.03Å; Y90-H106 HydrophobicContact CE1-CB 3.58Å; Y90-H106 AromaticContact CE1-CG 3.95Å; Y90-H106 AromaticContact CZ-CD2 3.87Å; Y90-H106 AromaticContact CZ-CG 3.94Å; F104-H106 HydrophobicContact CD2-CB 4.45Å; F104-H106 HydrophobicContact CE2-CB 4.21Å; H106-Y121 AromaticContact CE1-CG 3.98Å; H106-Y121 PolarHBondContact O-N 2.88Å; H106-E122 HydrophobicContact CB-CB 4.01Å; H106-E122 HydrophobicContact CB-CG 4.45Å; H106-E122 PolarHBondContact N-O 3.12Å; H106-E122 PolarHBondContact O-N 2.75Å; H106-E122 VanDerWaalsContact O-N 3.09Å
107F98.7Very high96.3Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-139.3164.3178.968.4-86.8000112.6L24 F41 R89 L91 F109 L118 Y119 L142 L145L24-F107 HydrophobicContact CD1-CZ 4.42Å; F41-F107 AromaticContact CD1-CE1 3.99Å; F41-F107 HydrophobicContact CD1-CE1 3.99Å; F41-F107 AromaticContact CD1-CZ 3.88Å; F41-F107 HydrophobicContact CD1-CZ 3.88Å; F41-F107 AromaticContact CE1-CE1 3.85Å; F41-F107 HydrophobicContact CE1-CE1 3.85Å; F41-F107 AromaticContact CE1-CZ 3.71Å; F41-F107 HydrophobicContact CE1-CZ 3.71Å; R89-F107 HydrophobicContact CB-CD1 4.34Å; R89-F107 HydrophobicContact CB-CD2 4.07Å; R89-F107 HydrophobicContact CB-CE1 3.92Å; R89-F107 HydrophobicContact CB-CE2 3.62Å; R89-F107 HydrophobicContact CB-CG 4.42Å; R89-F107 HydrophobicContact CB-CZ 3.54Å; R89-F107 HydrophobicContact CG-CE2 4.42Å; R89-F107 PolarHBondContact N-O 2.98Å; R89-F107 PolarHBondContact O-N 3.15Å; L91-F107 HydrophobicContact CB-CE1 4.37Å; F107-F109 HydrophobicContact CE2-CE2 4.11Å; F107-F109 HydrophobicContact CE2-CZ 4.15Å; F107-L118 HydrophobicContact CB-CD2 3.8Å; F107-L118 HydrophobicContact CB-CG 4.39Å; F107-L118 HydrophobicContact CD2-CD1 3.83Å; F107-L118 HydrophobicContact CD2-CD2 4.11Å; F107-L118 HydrophobicContact CD2-CG 3.85Å; F107-L118 HydrophobicContact CE2-CD1 4.1Å; F107-L118 HydrophobicContact CG-CD2 4.15Å; F107-L118 HydrophobicContact CG-CG 4.4Å; F107-Y119 CarbonylContact C-O 3.38Å; F107-Y119 WeakPolarHBondContact CA-O 3.47Å; F107-Y119 WeakPolarHBondContact CB-O 3.44Å; F107-L142 HydrophobicContact CD1-CD2 3.55Å; F107-L142 HydrophobicContact CE1-CD2 3.68Å; F107-L142 HydrophobicContact CG-CD2 4.01Å; F107-L142 HydrophobicContact CZ-CD2 4.24Å; F107-L145 HydrophobicContact CE2-CD2 3.66Å; F107-L145 HydrophobicContact CZ-CD2 3.67Å
108R98.4Very high96.4Very high31 Ų3137.5 Ų37.512%0.11719%0.188CC..EExtended strand (participates in β ladder)trans-141.1151.8174.9-60.5-175.8179.2161.25.8110.9E82 S87 V110 Y119 Y121E82-R108 PolarHBondContact O-NH2 3.26Å; S87-R108 VanDerWaalsContact OG-CD 3.3Å; S87-R108 WeakPolarHBondContact OG-CD 3.45Å; S87-R108 PolarHBondContact OG-NE 3.29Å; R108-V110 HydrophobicContact CB-CG1 3.94Å; R108-Y119 PolarHBondContact N-O 2.98Å; R108-Y119 PolarHBondContact O-N 3.25Å; R108-Y121 HydrophobicContact CB-CD2 4.39Å; R108-Y121 HydrophobicContact CB-CE2 3.94Å; R108-Y121 HydrophobicContact CG-CD2 4.15Å; R108-Y121 HydrophobicContact CG-CE2 3.91Å
109F98.4Very high96.5Very high4 Ų435.1 Ų35.12%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-90123.5163.4-58.4-76.3000108.5V13 A16 C17 L24 F107 V117 L118 L145 C149 M151V13-F109 HydrophobicContact CG1-CB 4.29Å; V13-F109 WeakPolarHBondContact CG1-O 3.48Å; A16-F109 HydrophobicContact CB-CB 4.06Å; A16-F109 HydrophobicContact CB-CD1 3.83Å; A16-F109 HydrophobicContact CB-CD2 3.55Å; A16-F109 HydrophobicContact CB-CE1 4.11Å; A16-F109 HydrophobicContact CB-CE2 3.86Å; A16-F109 HydrophobicContact CB-CG 3.53Å; A16-F109 HydrophobicContact CB-CZ 4.12Å; C17-F109 PolarHBondContact SG-O 2.62Å; L24-F109 HydrophobicContact CD2-CE2 4.29Å; L24-F109 HydrophobicContact CD2-CZ 4.44Å; F107-F109 HydrophobicContact CE2-CE2 4.11Å; F107-F109 HydrophobicContact CE2-CZ 4.15Å; F109-V117 WeakPolarHBondContact CA-O 3.16Å; F109-L118 HydrophobicContact CD1-CB 4.31Å; F109-L118 HydrophobicContact CE1-CB 4.28Å; F109-L118 HydrophobicContact CE1-CD1 3.86Å; F109-L118 HydrophobicContact CE1-CG 4.26Å; F109-L118 HydrophobicContact CZ-CD1 4.27Å; F109-L145 HydrophobicContact CZ-CD2 3.81Å; F109-L145 HydrophobicContact CZ-CG 3.96Å; F109-C149 HydrophobicContact CE1-CB 3.88Å; F109-C149 HydrophobicContact CZ-CB 4.34Å; F109-M151 HydrophobicContact CD1-CE 4.49Å; F109-M151 HydrophobicContact CD1-CG 3.85Å; F109-M151 HydrophobicContact CD1-SD 3.83Å; F109-M151 HydrophobicContact CE1-CG 4.13Å
110V98.3Very high96.8Very high36 Ų3630.7 Ų30.722%0.21815%0.15CC..EExtended strand (participates in β ladder)trans-143.8162.2-176.5-61.10000111.2R108 V117 Y119R108-V110 HydrophobicContact CB-CG1 3.94Å; V110-V117 HydrophobicContact CG2-CG2 3.6Å; V110-V117 PolarHBondContact N-O 3.23Å; V110-V117 PolarHBondContact O-N 3.25Å; V110-Y119 HydrophobicContact CG2-CD2 4.22Å
111M97.2Very high96.9Very high70 Ų7027.7 Ų27.735%0.34513%0.134SC..EExtended strand (participates in β ladder)trans-87.3119.5163.9-69.5-59.9-62.100108.8P10 V13 N115 P116P10-M111 HydrophobicContact CG-CE 4.3Å; P10-M111 HydrophobicContact CG-CG 4.4Å; P10-M111 HydrophobicContact CG-SD 4.28Å; V13-M111 HydrophobicContact CG2-CG 4.15Å; V13-M111 HydrophobicContact CG2-SD 3.79Å; M111-N115 CarbonylContact C-O 3.59Å; M111-N115 WeakPolarHBondContact CA-O 3.27Å; M111-P116 HydrophobicContact SD-CB 3.93Å
112D94.9Very high96.9Very high18 Ų1827.4 Ų27.410%0.09613%0.133CC..EExtended strand (participates in β ladder)trans-117.4109176.3178.352.4000109.1S114 N115 V117 K153D112-S114 PolarHBondContact O-N 3.09Å; D112-N115 PolarHBondContact N-O 3.32Å; D112-N115 WeakPolarHBondContact O-CA 2.88Å; D112-N115 WeakPolarHBondContact O-CB 3.4Å; D112-N115 PolarHBondContact O-N 3.33Å; D112-V117 HydrophobicContact CB-CG1 3.99Å; D112-V117 HydrophobicContact CB-CG2 3.64Å; D112-K153 WeakPolarHBondContact OD2-CE 3.21Å; D112-K153 IonicContact OD2-NZ 3.02Å; D112-K153 PolarHBondContact OD2-NZ 2.66Å
113Y87Confident96.9Very high175 Ų17528.7 Ų28.769%0.68614%0.139SC*.THydrogen-bonded Turntrans4158.5-176.5-64-93.3000113.4N115 S179Y113-N115 PolarHBondContact O-N 3.3Å; Y113-N115 PolarHBondContact O-ND2 3.44Å; Y113-S179 VanDerWaalsContact CE2-CB 3.43Å
114S87.6Confident97Very high88 Ų8829.4 Ų29.462%0.61514%0.143SC*.THydrogen-bonded Turntrans67.511.9-178.5-49.70000116.1D112D112-S114 PolarHBondContact O-N 3.09Å
115N94.6Very high97Very high46 Ų4630.3 Ų30.325%0.24615%0.148CC..EExtended strand (participates in β ladder)trans-111.4127.5173.5-60.9-63000110.4M111 D112 Y113 V117 K152M111-N115 CarbonylContact C-O 3.59Å; M111-N115 WeakPolarHBondContact CA-O 3.27Å; D112-N115 PolarHBondContact N-O 3.32Å; D112-N115 WeakPolarHBondContact O-CA 2.88Å; D112-N115 WeakPolarHBondContact O-CB 3.4Å; D112-N115 PolarHBondContact O-N 3.33Å; Y113-N115 PolarHBondContact O-N 3.3Å; Y113-N115 PolarHBondContact O-ND2 3.44Å; N115-V117 HydrophobicContact CB-CG1 4.01Å; N115-V117 PolarHBondContact O-N 3.23Å; N115-K152 HydrophobicContact CB-CB 4.49Å; N115-K152 HydrophobicContact CB-CD 3.89Å; N115-K152 WeakPolarHBondContact OD1-CD 3.48Å; N115-K152 PolarHBondContact OD1-NZ 2.92Å
116P97.2Very high97Very high4 Ų431.1 Ų31.13%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-68.2125.1164.130.2-35.7000108.6L12 V13 M111 M151 K152L12-P116 HydrophobicContact CD1-CG 4.46Å; V13-P116 HydrophobicContact CG2-CB 3.71Å; M111-P116 HydrophobicContact SD-CB 3.93Å; P116-M151 VanDerWaalsContact C-SD 3.6Å; P116-M151 HydrophobicContact CB-CE 3.95Å; P116-M151 HydrophobicContact CB-SD 3.81Å; P116-M151 CarbonylContact O-C 3.6Å; P116-M151 WeakPolarHBondContact O-CA 3.32Å; P116-K152 HydrophobicContact CG-CG 4.22Å; P116-K152 PolarHBondContact O-N 2.67Å
117V98.4Very high96.9Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-134.3154.6-176.3-53.70000111.9F109 V110 D112 N115 Y119 M151 K153 V155F109-V117 WeakPolarHBondContact CA-O 3.16Å; V110-V117 HydrophobicContact CG2-CG2 3.6Å; V110-V117 PolarHBondContact N-O 3.23Å; V110-V117 PolarHBondContact O-N 3.25Å; D112-V117 HydrophobicContact CB-CG1 3.99Å; D112-V117 HydrophobicContact CB-CG2 3.64Å; N115-V117 HydrophobicContact CB-CG1 4.01Å; N115-V117 PolarHBondContact O-N 3.23Å; V117-Y119 HydrophobicContact CG2-CD2 4.35Å; V117-M151 VanDerWaalsContact C-SD 3.6Å; V117-M151 PolarHBondContact N-SD 3.29Å; V117-K153 WeakPolarHBondContact CA-O 3.37Å; V117-K153 HydrophobicContact CB-CG 4.25Å; V117-K153 WeakPolarHBondContact CB-O 3.39Å; V117-K153 HydrophobicContact CG1-CD 4.1Å; V117-K153 VanDerWaalsContact CG1-CE 3.45Å; V117-K153 HydrophobicContact CG1-CG 3.43Å; V117-K153 VanDerWaalsContact CG1-CG 3.43Å; V117-V155 HydrophobicContact CB-CG2 3.96Å; V117-V155 HydrophobicContact CG1-CG2 4.02Å; V117-V155 HydrophobicContact CG2-CG2 4.13Å
118L98.7Very high96.8Very high0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-91.9113.5157.2-173.4157.3000107.4F107 F109 L142 L145 A146 M151 K153 V154 V155F107-L118 HydrophobicContact CB-CD2 3.8Å; F107-L118 HydrophobicContact CB-CG 4.39Å; F107-L118 HydrophobicContact CD2-CD1 3.83Å; F107-L118 HydrophobicContact CD2-CD2 4.11Å; F107-L118 HydrophobicContact CD2-CG 3.85Å; F107-L118 HydrophobicContact CE2-CD1 4.1Å; F107-L118 HydrophobicContact CG-CD2 4.15Å; F107-L118 HydrophobicContact CG-CG 4.4Å; F109-L118 HydrophobicContact CD1-CB 4.31Å; F109-L118 HydrophobicContact CE1-CB 4.28Å; F109-L118 HydrophobicContact CE1-CD1 3.86Å; F109-L118 HydrophobicContact CE1-CG 4.26Å; F109-L118 HydrophobicContact CZ-CD1 4.27Å; L118-L142 HydrophobicContact CD1-CB 4.26Å; L118-L142 HydrophobicContact CD1-CD2 4.49Å; L118-L142 HydrophobicContact CD2-CB 4.04Å; L118-L142 HydrophobicContact CD2-CD1 4.12Å; L118-L142 HydrophobicContact CD2-CG 4.46Å; L118-L145 HydrophobicContact CD1-CB 4.32Å; L118-L145 HydrophobicContact CD1-CD2 4.14Å; L118-L145 HydrophobicContact CD1-CG 4.42Å; L118-A146 HydrophobicContact CB-CB 3.88Å; L118-A146 HydrophobicContact CD1-CB 4.25Å; L118-M151 HydrophobicContact CB-CG 4.43Å; L118-K153 PolarHBondContact N-O 2.87Å; L118-V154 HydrophobicContact CB-CG2 4.4Å; L118-V154 HydrophobicContact CD2-CG1 4.12Å; L118-V154 CarbonylContact O-C 3.55Å; L118-V154 VanDerWaalsContact O-CA 3.25Å; L118-V154 WeakPolarHBondContact O-CA 3.15Å; L118-V155 PolarHBondContact O-N 2.91Å
119Y98.8Very high96.8Very high29 Ų2940 Ų4011%0.11422%0.218CC..EExtended strand (participates in β ladder)trans-97.4113.4177.9-152.6-61000108.7F107 R108 V110 V117 Y121 V155 T157F107-Y119 CarbonylContact C-O 3.38Å; F107-Y119 WeakPolarHBondContact CA-O 3.47Å; F107-Y119 WeakPolarHBondContact CB-O 3.44Å; R108-Y119 PolarHBondContact N-O 2.98Å; R108-Y119 PolarHBondContact O-N 3.25Å; V110-Y119 HydrophobicContact CG2-CD2 4.22Å; V117-Y119 HydrophobicContact CG2-CD2 4.35Å; Y119-Y121 AromaticContact CD1-CD2 3.75Å; Y119-Y121 HydrophobicContact CD1-CD2 3.75Å; Y119-Y121 AromaticContact CD1-CE2 3.77Å; Y119-Y121 HydrophobicContact CD1-CE2 3.77Å; Y119-Y121 HydrophobicContact CD1-CG 4.39Å; Y119-Y121 HydrophobicContact CG-CD2 4.24Å; Y119-Y121 AromaticContact CG-CE2 3.89Å; Y119-Y121 HydrophobicContact CG-CE2 3.89Å; Y119-Y121 WeakPolarHBondContact O-CD2 3.11Å; Y119-Y121 PolarHBondContact O-N 3.19Å; Y119-V155 CarbonylContact C-O 3.49Å; Y119-V155 WeakPolarHBondContact CA-O 3.4Å; Y119-V155 HydrophobicContact CD2-CB 3.89Å; Y119-V155 HydrophobicContact CD2-CG1 3.86Å; Y119-V155 HydrophobicContact CE1-CG1 4.35Å; Y119-V155 HydrophobicContact CE2-CB 4.05Å; Y119-V155 HydrophobicContact CE2-CG1 3.48Å; Y119-V155 VanDerWaalsContact CE2-CG1 3.48Å; Y119-V155 HydrophobicContact CG-CB 4.21Å; Y119-V155 HydrophobicContact CG-CG1 4.44Å; Y119-T157 PolarHBondContact OH-OG1 3Å
120C98.8Very high96.7Very high2 Ų245.6 Ų45.61%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-80.5100.6170.8-176.90000107.8S105 L142 V155 A156S105-C120 PolarHBondContact OG-SG 3.48Å; C120-L142 HydrophobicContact CB-CD1 4.22Å; C120-V155 PolarHBondContact N-O 3.33Å; C120-A156 HydrophobicContact CB-CB 4.32Å
121Y98.4Very high96.6Very high65 Ų6554.7 Ų54.726%0.25527%0.27SS..EExtended strand (participates in β ladder)trans-75.1-44179.5-83.7-110.4000110.4E82 H106 R108 Y119E82-Y121 HydrophobicContact CG-CD1 4.37Å; H106-Y121 AromaticContact CE1-CG 3.98Å; H106-Y121 PolarHBondContact O-N 2.88Å; R108-Y121 HydrophobicContact CB-CD2 4.39Å; R108-Y121 HydrophobicContact CB-CE2 3.94Å; R108-Y121 HydrophobicContact CG-CD2 4.15Å; R108-Y121 HydrophobicContact CG-CE2 3.91Å; Y119-Y121 AromaticContact CD1-CD2 3.75Å; Y119-Y121 HydrophobicContact CD1-CD2 3.75Å; Y119-Y121 AromaticContact CD1-CE2 3.77Å; Y119-Y121 HydrophobicContact CD1-CE2 3.77Å; Y119-Y121 HydrophobicContact CD1-CG 4.39Å; Y119-Y121 HydrophobicContact CG-CD2 4.24Å; Y119-Y121 AromaticContact CG-CE2 3.89Å; Y119-Y121 HydrophobicContact CG-CE2 3.89Å; Y119-Y121 WeakPolarHBondContact O-CD2 3.11Å; Y119-Y121 PolarHBondContact O-N 3.19Å
122E98Very high96.5Very high8 Ų852.5 Ų52.54%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-136.4144.4176.1-59.8-69170.300110L59 Y67 K79 F104 S105 H106 Q124L59-E122 VanDerWaalsContact CD1-CD 3.47Å; L59-E122 HydrophobicContact CD1-CG 4.08Å; L59-E122 VanDerWaalsContact CD1-OE2 3.26Å; L59-E122 WeakPolarHBondContact CD1-OE2 3.22Å; L59-E122 HydrophobicContact CD2-CG 4.38Å; Y67-E122 PolarHBondContact OH-OE1 2.76Å; Y67-E122 VanDerWaalsContact OH-OE1 3.12Å; K79-E122 IonicContact NZ-OE1 2.71Å; K79-E122 PolarHBondContact NZ-OE1 2.77Å; F104-E122 HydrophobicContact CE2-CB 3.92Å; F104-E122 HydrophobicContact CZ-CB 4.42Å; S105-E122 CarbonylContact C-O 3.58Å; S105-E122 WeakPolarHBondContact CA-O 3.45Å; S105-E122 WeakPolarHBondContact CB-O 3.12Å; S105-E122 PolarHBondContact OG-O 2.82Å; H106-E122 HydrophobicContact CB-CB 4.01Å; H106-E122 HydrophobicContact CB-CG 4.45Å; H106-E122 PolarHBondContact N-O 3.12Å; H106-E122 PolarHBondContact O-N 2.75Å; H106-E122 VanDerWaalsContact O-N 3.09Å; E122-Q124 HydrophobicContact CB-CG 4.38Å; E122-Q124 PolarHBondContact OE2-NE2 3.47Å
123I98.6Very high96.6Very high27 Ų2753.2 Ų53.214%0.13827%0.274CS..EExtended strand (participates in β ladder)trans-138.5112.8163.3-176.3167.8000107.8F104 M138 L139 F168 F169F104-I123 WeakPolarHBondContact O-CA 3.36Å; I123-M138 HydrophobicContact CD1-CB 4.42Å; I123-L139 HydrophobicContact CD1-CB 4.17Å; I123-L139 HydrophobicContact CD1-CD1 4.43Å; I123-F168 HydrophobicContact CD1-CE1 4.24Å; I123-F168 HydrophobicContact CD1-CZ 4.25Å; I123-F169 HydrophobicContact CG2-CE2 4.3Å; I123-F169 HydrophobicContact CG2-CZ 3.86Å
124Q98.7Very high97.1Very high15 Ų1545 Ų457%0.0724%0.242CC..EExtended strand (participates in β ladder)trans-127.5134.8-170.6-58.3-55.9-26.300109.5L58 L59 N62 G103 F104 E122L58-Q124 HydrophobicContact CG-CB 4.32Å; L59-Q124 HydrophobicContact CD1-CG 3.9Å; N62-Q124 PolarHBondContact ND2-OE1 3.45Å; G103-Q124 CarbonylContact C-O 3.59Å; G103-Q124 WeakPolarHBondContact CA-O 3.26Å; F104-Q124 HydrophobicContact CD1-CB 3.91Å; F104-Q124 HydrophobicContact CE1-CB 3.52Å; F104-Q124 HydrophobicContact CE1-CG 3.75Å; F104-Q124 HydrophobicContact CE2-CG 4.29Å; F104-Q124 HydrophobicContact CZ-CB 3.91Å; F104-Q124 HydrophobicContact CZ-CG 3.6Å; F104-Q124 PolarHBondContact N-O 3.46Å; F104-Q124 PolarHBondContact O-N 2.83Å; E122-Q124 HydrophobicContact CB-CG 4.38Å; E122-Q124 PolarHBondContact OE2-NE2 3.47Å
125V98.7Very high97.6Very high19 Ų1941.4 Ų41.412%0.11522%0.219CC..EExtended strand (participates in β ladder)trans-129.9124.5178.5177.30000107.6N62 W129 R130 L134N62-V125 PolarHBondContact ND2-O 2.95Å; V125-W129 HydrophobicContact CG1-CB 3.84Å; V125-R130 HydrophobicContact CB-CG 4.17Å; V125-R130 HydrophobicContact CG1-CG 3.85Å; V125-R130 PolarHBondContact O-NE 2.61Å; V125-R130 PolarHBondContact O-NH2 3.09Å; V125-L134 HydrophobicContact CG1-CD2 4.2Å
126A98.5Very high97.8Very high16 Ų1641.2 Ų41.213%0.13222%0.221CC..  trans-57.4142.9176.400000110.1L58 A102 A128 W129 R130L58-A126 HydrophobicContact CD1-CB 3.94Å; L58-A126 HydrophobicContact CD2-CB 4.48Å; A102-A126 PolarHBondContact O-N 2.85Å; A126-A128 PolarHBondContact O-N 3.48Å; A126-A128 VanDerWaalsContact O-N 3.13Å; A126-W129 PolarHBondContact O-N 3.17Å; A126-R130 PolarHBondContact O-N 2.94Å
127S97.3Very high97.9Very high74 Ų7442 Ų4252%0.51722%0.224SC..G310 helixtrans-49.1-44.4-171.8560000113.1W129 R130S127-W129 PolarHBondContact O-N 2.82Å; S127-R130 PolarHBondContact O-N 3.09Å
128A96.6Very high97.9Very high87 Ų8742 Ų4272%0.71922%0.224SC*.G310 helixtrans-61.9-19.5178.100000115.1A126A126-A128 PolarHBondContact O-N 3.48Å; A126-A128 VanDerWaalsContact O-N 3.13Å
129W97.4Very high97.9Very high57 Ų5742 Ų4222%0.21622%0.224CC..G310 helixtrans-110.12-176.6-6186.8000113.2H36 T37 C95 A102 V125 A126 S127 L134H36-W129 HydrophobicContact CB-CH2 3.73Å; H36-W129 HydrophobicContact CB-CZ3 4.08Å; T37-W129 HydrophobicContact CG2-CD2 4.28Å; T37-W129 HydrophobicContact CG2-CE3 3.75Å; T37-W129 HydrophobicContact CG2-CH2 3.7Å; T37-W129 HydrophobicContact CG2-CZ2 4.24Å; T37-W129 HydrophobicContact CG2-CZ3 3.44Å; T37-W129 VanDerWaalsContact CG2-CZ3 3.44Å; C95-W129 HydrophobicContact CB-CH2 4.4Å; C95-W129 HydrophobicContact CB-CZ2 3.73Å; A102-W129 HydrophobicContact CB-CB 4.23Å; A102-W129 HydrophobicContact CB-CD2 3.53Å; A102-W129 HydrophobicContact CB-CE3 4.17Å; A102-W129 HydrophobicContact CB-CG 3.53Å; A102-W129 HydrophobicContact CB-CZ2 4.36Å; V125-W129 HydrophobicContact CG1-CB 3.84Å; A126-W129 PolarHBondContact O-N 3.17Å; S127-W129 PolarHBondContact O-N 2.82Å; W129-L134 HydrophobicContact CB-CD2 4.03Å
130R97Very high97.8Very high122 Ų12244.1 Ų44.146%0.4624%0.235SC..THydrogen-bonded Turntrans-70.3154.7177.8-67.6-179.3-174.3168.91.4110.8N62 V125 A126 S127 A132N62-R130 PolarHBondContact OD1-NH2 3.28Å; V125-R130 HydrophobicContact CB-CG 4.17Å; V125-R130 HydrophobicContact CG1-CG 3.85Å; V125-R130 PolarHBondContact O-NE 2.61Å; V125-R130 PolarHBondContact O-NH2 3.09Å; A126-R130 PolarHBondContact O-N 2.94Å; S127-R130 PolarHBondContact O-N 3.09Å; R130-A132 PolarHBondContact O-N 3.15Å
131R95.5Very high97.8Very high227 Ų22744.5 Ų44.586%0.85724%0.237SC*.THydrogen-bonded Turntrans58.99.7-180-52.2-57.9-61.1-139.2-14.9115
132A95Very high97.8Very high23 Ų2341.4 Ų41.419%0.1923%0.225CC..THydrogen-bonded Turntrans-95.39.8174.800000113.7R35 R130 L134R35-A132 PolarHBondContact NE-O 3.04Å; R35-A132 PolarHBondContact NH2-O 2.87Å; R35-A132 VanDerWaalsContact NH2-O 3.13Å; R130-A132 PolarHBondContact O-N 3.15Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 2.82Å
133G97.3Very high97.8Very high33 Ų3341.6 Ų41.634%0.3423%0.225SC..THydrogen-bonded Turntrans83.9-7.2-178.800000115.4G135 S136 F137G133-G135 PolarHBondContact O-N 2.75Å; G133-S136 PolarHBondContact O-N 2.84Å; G133-F137 PolarHBondContact O-N 2.87Å
134L98.5Very high97.7Very high2 Ų244.1 Ų44.11%0.0123%0.233CC..Hα-helixtrans-56.7-49.6-177.7179.459.6000112.6F34 I39 A93 A102 V125 W129 A132 S136 F137 M138F34-L134 HydrophobicContact CD1-CB 4.39Å; F34-L134 HydrophobicContact CD1-CD1 3.8Å; F34-L134 HydrophobicContact CE1-CB 4.12Å; F34-L134 HydrophobicContact CE1-CD1 4.35Å; I39-L134 HydrophobicContact CD1-CD1 4.31Å; A93-L134 HydrophobicContact CB-CD1 3.86Å; A93-L134 HydrophobicContact CB-CD2 4.1Å; A93-L134 HydrophobicContact CB-CG 4.49Å; A102-L134 HydrophobicContact CB-CD2 3.81Å; V125-L134 HydrophobicContact CG1-CD2 4.2Å; W129-L134 HydrophobicContact CB-CD2 4.03Å; A132-L134 VanDerWaalsContact C-N 3.31Å; A132-L134 PolarHBondContact O-N 2.82Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 2.92Å; L134-F137 HydrophobicContact CD1-CD1 4.45Å; L134-F137 WeakPolarHBondContact O-CB 3.07Å; L134-F137 PolarHBondContact O-N 3.27Å; L134-M138 HydrophobicContact CD1-CG 4.01Å; L134-M138 HydrophobicContact CD1-SD 4Å; L134-M138 HydrophobicContact CG-CG 4.4Å; L134-M138 HydrophobicContact CG-SD 3.97Å; L134-M138 VanDerWaalsContact O-CG 3.28Å; L134-M138 WeakPolarHBondContact O-CG 3.43Å; L134-M138 PolarHBondContact O-N 2.88Å
135G98.4Very high97.7Very high13 Ų1343.4 Ų43.413%0.13423%0.23CC..Hα-helixtrans-59.4-40.317800000113.2G133 M138 L139G133-G135 PolarHBondContact O-N 2.75Å; G135-M138 PolarHBondContact O-N 3.38Å; G135-L139 WeakPolarHBondContact O-CB 3.47Å; G135-L139 PolarHBondContact O-N 3.04Å
136S98.5Very high97.7Very high43 Ų4342.5 Ų42.530%0.30122%0.224SC..Hα-helixtrans-66.5-42.9175.9-64.20000111.9G133 L134 L139 E140 Q172G133-S136 PolarHBondContact O-N 2.84Å; L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 2.92Å; S136-L139 PolarHBondContact O-N 3.47Å; S136-E140 WeakPolarHBondContact O-CB 3.46Å; S136-E140 PolarHBondContact O-N 2.85Å; S136-Q172 PolarHBondContact OG-NE2 2.95Å
137F98.6Very high97.6Very high20 Ų2044.7 Ų44.79%0.08823%0.232CC..Hα-helixtrans-59-48.6175167.2-93.6000111.4Q31 F34 I39 G133 L134 L139 E140 M141Q31-F137 HydrophobicContact CB-CZ 4.47Å; F34-F137 HydrophobicContact CB-CD1 3.99Å; F34-F137 HydrophobicContact CB-CE1 3.87Å; F34-F137 HydrophobicContact CB-CE2 4.4Å; F34-F137 HydrophobicContact CB-CG 4.34Å; F34-F137 HydrophobicContact CB-CZ 4.07Å; F34-F137 HydrophobicContact CD2-CB 3.96Å; F34-F137 HydrophobicContact CD2-CD1 4.08Å; F34-F137 AromaticContact CD2-CD2 3.49Å; F34-F137 HydrophobicContact CD2-CD2 3.49Å; F34-F137 VanDerWaalsContact CD2-CD2 3.49Å; F34-F137 AromaticContact CD2-CE2 3.96Å; F34-F137 HydrophobicContact CD2-CE2 3.96Å; F34-F137 AromaticContact CD2-CG 3.55Å; F34-F137 HydrophobicContact CD2-CG 3.55Å; F34-F137 HydrophobicContact CD2-CZ 4.45Å; F34-F137 HydrophobicContact CE1-CB 4.49Å; F34-F137 HydrophobicContact CE2-CB 3.81Å; F34-F137 AromaticContact CE2-CD2 3.95Å; F34-F137 HydrophobicContact CE2-CD2 3.95Å; F34-F137 AromaticContact CE2-CG 3.92Å; F34-F137 HydrophobicContact CE2-CG 3.92Å; F34-F137 HydrophobicContact CG-CB 4.36Å; F34-F137 AromaticContact CG-CD1 3.96Å; F34-F137 HydrophobicContact CG-CD1 3.96Å; F34-F137 HydrophobicContact CG-CD2 4.2Å; F34-F137 HydrophobicContact CG-CE1 4.31Å; F34-F137 AromaticContact CG-CG 3.9Å; F34-F137 HydrophobicContact CG-CG 3.9Å; F34-F137 HydrophobicContact CZ-CB 4.08Å; I39-F137 HydrophobicContact CB-CE1 4.42Å; I39-F137 HydrophobicContact CD1-CD1 4.48Å; I39-F137 HydrophobicContact CD1-CE1 3.87Å; I39-F137 HydrophobicContact CG1-CE1 3.74Å; I39-F137 HydrophobicContact CG1-CZ 4.21Å; I39-F137 HydrophobicContact CG2-CE1 3.94Å; I39-F137 HydrophobicContact CG2-CZ 4.39Å; G133-F137 PolarHBondContact O-N 2.87Å; L134-F137 HydrophobicContact CD1-CD1 4.45Å; L134-F137 WeakPolarHBondContact O-CB 3.07Å; L134-F137 PolarHBondContact O-N 3.27Å; F137-L139 VanDerWaalsContact C-N 3.35Å; F137-L139 PolarHBondContact O-N 2.76Å; F137-E140 PolarHBondContact O-N 2.84Å; F137-M141 HydrophobicContact CD2-CE 4.29Å; F137-M141 HydrophobicContact CE1-CG 4.07Å; F137-M141 HydrophobicContact CE2-CE 4.04Å; F137-M141 HydrophobicContact CE2-CG 4.29Å; F137-M141 HydrophobicContact CE2-SD 4.22Å; F137-M141 HydrophobicContact CZ-CG 3.94Å; F137-M141 HydrophobicContact CZ-SD 4.21Å; F137-M141 WeakPolarHBondContact O-CG 3.47Å; F137-M141 PolarHBondContact O-N 3.08Å
138M98.7Very high97.6Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-62.1-44.1-180-67.8-179.378.400111.5L91 A93 F104 I123 L134 G135 E140 M141 L142L91-M138 HydrophobicContact CB-CE 4.34Å; L91-M138 HydrophobicContact CD2-CB 3.88Å; L91-M138 HydrophobicContact CD2-CE 4.26Å; L91-M138 HydrophobicContact CD2-CG 4.13Å; L91-M138 WeakPolarHBondContact CD2-O 3.32Å; L91-M138 HydrophobicContact CG-CE 4.06Å; L91-M138 WeakPolarHBondContact O-CE 3.12Å; A93-M138 HydrophobicContact CB-CE 4.45Å; A93-M138 HydrophobicContact CB-SD 4.22Å; F104-M138 VanDerWaalsContact C-CE 3.41Å; F104-M138 VanDerWaalsContact CA-CE 3.46Å; I123-M138 HydrophobicContact CD1-CB 4.42Å; L134-M138 HydrophobicContact CD1-CG 4.01Å; L134-M138 HydrophobicContact CD1-SD 4Å; L134-M138 HydrophobicContact CG-CG 4.4Å; L134-M138 HydrophobicContact CG-SD 3.97Å; L134-M138 VanDerWaalsContact O-CG 3.28Å; L134-M138 WeakPolarHBondContact O-CG 3.43Å; L134-M138 PolarHBondContact O-N 2.88Å; G135-M138 PolarHBondContact O-N 3.38Å; M138-E140 VanDerWaalsContact C-N 3.33Å; M138-E140 PolarHBondContact O-N 2.9Å; M138-M141 WeakPolarHBondContact O-CB 3.39Å; M138-M141 PolarHBondContact O-N 2.98Å; M138-L142 WeakPolarHBondContact O-CG 3.33Å; M138-L142 PolarHBondContact O-N 3.18Å; M138-L142 VanDerWaalsContact O-N 3.12Å
139L98.5Very high97.6Very high0 Ų040.9 Ų40.90%019%0.192CC..Hα-helixtrans-65-37.6178.2-166.462.6000112.2I123 G135 S136 F137 M141 L142 Y143 F168 F169 Q172 F174I123-L139 HydrophobicContact CD1-CB 4.17Å; I123-L139 HydrophobicContact CD1-CD1 4.43Å; G135-L139 WeakPolarHBondContact O-CB 3.47Å; G135-L139 PolarHBondContact O-N 3.04Å; S136-L139 PolarHBondContact O-N 3.47Å; F137-L139 VanDerWaalsContact C-N 3.35Å; F137-L139 PolarHBondContact O-N 2.76Å; L139-M141 VanDerWaalsContact C-N 3.33Å; L139-M141 PolarHBondContact O-N 3.49Å; L139-L142 HydrophobicContact CD1-CD1 4.33Å; L139-L142 WeakPolarHBondContact O-CB 3.42Å; L139-L142 PolarHBondContact O-N 3.04Å; L139-Y143 HydrophobicContact CD1-CE2 4.5Å; L139-Y143 HydrophobicContact CD2-CE2 4.39Å; L139-Y143 HydrophobicContact CG-CD2 4.32Å; L139-Y143 HydrophobicContact CG-CE2 3.96Å; L139-Y143 VanDerWaalsContact O-CD2 3.23Å; L139-Y143 WeakPolarHBondContact O-CD2 3.19Å; L139-Y143 PolarHBondContact O-N 3.49Å; L139-F168 HydrophobicContact CB-CZ 4.32Å; L139-F168 HydrophobicContact CD2-CE1 3.83Å; L139-F168 HydrophobicContact CD2-CZ 3.88Å; L139-F169 HydrophobicContact CD1-CE1 4.2Å; L139-F169 HydrophobicContact CD2-CD1 4.18Å; L139-F169 HydrophobicContact CD2-CE1 4Å; L139-Q172 HydrophobicContact CD2-CB 3.75Å; L139-Q172 HydrophobicContact CD2-CG 3.66Å; L139-F174 HydrophobicContact CD1-CE2 4.41Å; L139-F174 HydrophobicContact CD1-CZ 4.01Å; L139-F174 HydrophobicContact CD2-CE2 3.51Å; L139-F174 HydrophobicContact CD2-CZ 3.94Å; L139-F174 HydrophobicContact CG-CE2 4.2Å; L139-F174 HydrophobicContact CG-CZ 4.29Å
140E97.7Very high97.5Very high74 Ų7445.4 Ų45.435%0.34621%0.209SC..Hα-helixtrans-63.2-37.9173.5-175.458-151.800111.9S136 F137 M138 L142 Y143 R144S136-E140 WeakPolarHBondContact O-CB 3.46Å; S136-E140 PolarHBondContact O-N 2.85Å; F137-E140 PolarHBondContact O-N 2.84Å; M138-E140 VanDerWaalsContact C-N 3.33Å; M138-E140 PolarHBondContact O-N 2.9Å; E140-L142 VanDerWaalsContact C-N 3.3Å; E140-L142 PolarHBondContact O-N 3.47Å; E140-Y143 WeakPolarHBondContact O-CB 3.33Å; E140-Y143 PolarHBondContact O-N 3.48Å; E140-Y143 VanDerWaalsContact O-N 3.14Å; E140-R144 WeakPolarHBondContact O-CG 3.12Å; E140-R144 PolarHBondContact O-N 2.94Å
141M98.4Very high97.6Very high9 Ų939.9 Ų39.94%0.04419%0.188CC..Hα-helixtrans-63.4-37.3173.7-64.9-50.897.800111.7I28 L30 L91 F137 M138 L139 Y143 R144 L145I28-M141 HydrophobicContact CD1-CB 4.12Å; I28-M141 HydrophobicContact CD1-SD 4.15Å; L30-M141 HydrophobicContact CD1-CB 4.47Å; L30-M141 HydrophobicContact CD1-CG 3.85Å; L30-M141 HydrophobicContact CD1-SD 3.85Å; L91-M141 HydrophobicContact CD2-CB 3.71Å; L91-M141 HydrophobicContact CD2-CG 4.29Å; F137-M141 HydrophobicContact CD2-CE 4.29Å; F137-M141 HydrophobicContact CE1-CG 4.07Å; F137-M141 HydrophobicContact CE2-CE 4.04Å; F137-M141 HydrophobicContact CE2-CG 4.29Å; F137-M141 HydrophobicContact CE2-SD 4.22Å; F137-M141 HydrophobicContact CZ-CG 3.94Å; F137-M141 HydrophobicContact CZ-SD 4.21Å; F137-M141 WeakPolarHBondContact O-CG 3.47Å; F137-M141 PolarHBondContact O-N 3.08Å; M138-M141 WeakPolarHBondContact O-CB 3.39Å; M138-M141 PolarHBondContact O-N 2.98Å; L139-M141 VanDerWaalsContact C-N 3.33Å; L139-M141 PolarHBondContact O-N 3.49Å; M141-Y143 VanDerWaalsContact C-N 3.35Å; M141-R144 PolarHBondContact O-N 3.35Å; M141-L145 WeakPolarHBondContact O-CB 3.49Å; M141-L145 PolarHBondContact O-N 3.19Å
142L98.6Very high97.6Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-65.7-36.7172.8-58.3-173.5000112.1L91 S105 F107 L118 C120 M138 L139 E140 L145 A146L91-L142 HydrophobicContact CB-CD2 4.38Å; L91-L142 HydrophobicContact CD2-CD2 4.43Å; S105-L142 WeakPolarHBondContact OG-CD1 2.75Å; F107-L142 HydrophobicContact CD1-CD2 3.55Å; F107-L142 HydrophobicContact CE1-CD2 3.68Å; F107-L142 HydrophobicContact CG-CD2 4.01Å; F107-L142 HydrophobicContact CZ-CD2 4.24Å; L118-L142 HydrophobicContact CD1-CB 4.26Å; L118-L142 HydrophobicContact CD1-CD2 4.49Å; L118-L142 HydrophobicContact CD2-CB 4.04Å; L118-L142 HydrophobicContact CD2-CD1 4.12Å; L118-L142 HydrophobicContact CD2-CG 4.46Å; C120-L142 HydrophobicContact CB-CD1 4.22Å; M138-L142 WeakPolarHBondContact O-CG 3.33Å; M138-L142 PolarHBondContact O-N 3.18Å; M138-L142 VanDerWaalsContact O-N 3.12Å; L139-L142 HydrophobicContact CD1-CD1 4.33Å; L139-L142 WeakPolarHBondContact O-CB 3.42Å; L139-L142 PolarHBondContact O-N 3.04Å; E140-L142 VanDerWaalsContact C-N 3.3Å; E140-L142 PolarHBondContact O-N 3.47Å; L142-L145 PolarHBondContact O-N 2.96Å; L142-A146 VanDerWaalsContact O-CB 3.32Å; L142-A146 WeakPolarHBondContact O-CB 3.32Å; L142-A146 PolarHBondContact O-N 2.93Å
143Y97.5Very high97.7Very high13 Ų1333.7 Ų33.75%0.05116%0.163CC..Hα-helixtrans-61.1-50.2173.7-89.6-69.4000112.6L139 E140 M141 L145 A146 E147 V154 F174 R191 V193L139-Y143 HydrophobicContact CD1-CE2 4.5Å; L139-Y143 HydrophobicContact CD2-CE2 4.39Å; L139-Y143 HydrophobicContact CG-CD2 4.32Å; L139-Y143 HydrophobicContact CG-CE2 3.96Å; L139-Y143 VanDerWaalsContact O-CD2 3.23Å; L139-Y143 WeakPolarHBondContact O-CD2 3.19Å; L139-Y143 PolarHBondContact O-N 3.49Å; E140-Y143 WeakPolarHBondContact O-CB 3.33Å; E140-Y143 PolarHBondContact O-N 3.48Å; E140-Y143 VanDerWaalsContact O-N 3.14Å; M141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-L145 PolarHBondContact O-N 2.77Å; Y143-A146 WeakPolarHBondContact O-CB 3.22Å; Y143-A146 PolarHBondContact O-N 2.78Å; Y143-E147 PolarHBondContact O-N 2.91Å; Y143-V154 HydrophobicContact CD1-CB 4.3Å; Y143-V154 HydrophobicContact CD1-CG2 3.63Å; Y143-V154 HydrophobicContact CE1-CB 3.63Å; Y143-V154 HydrophobicContact CE1-CG2 3.48Å; Y143-V154 VanDerWaalsContact CE1-CG2 3.48Å; Y143-V154 HydrophobicContact CE2-CB 4.42Å; Y143-V154 HydrophobicContact CE2-CG2 4.47Å; Y143-V154 HydrophobicContact CG-CG2 4.14Å; Y143-F174 AromaticContact CE2-CE2 3.59Å; Y143-F174 HydrophobicContact CE2-CE2 3.59Å; Y143-F174 AromaticContact CE2-CZ 3.86Å; Y143-F174 HydrophobicContact CE2-CZ 3.86Å; Y143-F174 AromaticContact CZ-CE2 3.6Å; Y143-F174 AromaticContact CZ-CZ 3.69Å; Y143-F174 WeakPolarHBondContact OH-CD2 3.49Å; Y143-F174 WeakPolarHBondContact OH-CE1 3.46Å; Y143-F174 WeakPolarHBondContact OH-CE2 3.4Å; Y143-F174 WeakPolarHBondContact OH-CZ 3.41Å; Y143-R191 HydrophobicContact CE1-CB 3.69Å; Y143-R191 HydrophobicContact CE1-CG 3.98Å; Y143-R191 WeakPolarHBondContact OH-CB 3.41Å; Y143-V193 HydrophobicContact CD1-CG2 4.49Å
144R97.3Very high97.8Very high80 Ų8032.1 Ų32.130%0.30215%0.147SC..Hα-helixtrans-59-40.5177.4-66.1174.470.5-155.1-0.2110.5I28 E140 M141 E147 E148I28-R144 HydrophobicContact CB-CB 4.3Å; I28-R144 HydrophobicContact CG2-CB 4.03Å; I28-R144 VanDerWaalsContact O-CZ 3.26Å; I28-R144 PolarHBondContact O-NH1 3.43Å; I28-R144 PolarHBondContact O-NH2 3.44Å; E140-R144 WeakPolarHBondContact O-CG 3.12Å; E140-R144 PolarHBondContact O-N 2.94Å; M141-R144 PolarHBondContact O-N 3.35Å; R144-E147 WeakPolarHBondContact O-CB 3.21Å; R144-E147 PolarHBondContact O-N 2.83Å; R144-E148 WeakPolarHBondContact O-CG 3.31Å; R144-E148 PolarHBondContact O-N 3.12Å
145L97.9Very high97.8Very high0 Ų032 Ų320%015%0.146CC..Hα-helixtrans-67.1-41177.8-169.965.9000112.4L24 L27 I28 F41 F107 F109 L118 M141 L142 Y143 E147 E148 C149L24-L145 HydrophobicContact CB-CD1 4.21Å; L24-L145 HydrophobicContact CD2-CD1 3.83Å; L24-L145 HydrophobicContact CD2-CD2 4.17Å; L24-L145 HydrophobicContact CD2-CG 4.46Å; L27-L145 HydrophobicContact CD2-CD1 4.07Å; I28-L145 HydrophobicContact CG2-CB 4.16Å; I28-L145 HydrophobicContact CG2-CD1 3.96Å; F41-L145 HydrophobicContact CE1-CD2 3.88Å; F41-L145 HydrophobicContact CZ-CD2 3.88Å; F107-L145 HydrophobicContact CE2-CD2 3.66Å; F107-L145 HydrophobicContact CZ-CD2 3.67Å; F109-L145 HydrophobicContact CZ-CD2 3.81Å; F109-L145 HydrophobicContact CZ-CG 3.96Å; L118-L145 HydrophobicContact CD1-CB 4.32Å; L118-L145 HydrophobicContact CD1-CD2 4.14Å; L118-L145 HydrophobicContact CD1-CG 4.42Å; M141-L145 WeakPolarHBondContact O-CB 3.49Å; M141-L145 PolarHBondContact O-N 3.19Å; L142-L145 PolarHBondContact O-N 2.96Å; Y143-L145 PolarHBondContact O-N 2.77Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 PolarHBondContact O-N 3.33Å; L145-E148 PolarHBondContact O-N 3.15Å; L145-C149 VanDerWaalsContact O-CB 3.24Å; L145-C149 WeakPolarHBondContact O-CB 3.44Å; L145-C149 PolarHBondContact O-N 2.92Å; L145-C149 PolarHBondContact O-SG 3.24Å
146A98.3Very high97.8Very high0 Ų031.5 Ų31.50%014%0.141CC..Hα-helixtrans-62.3-38.5174.700000111.5L118 L142 Y143 R150 M151 V154 V193L118-A146 HydrophobicContact CB-CB 3.88Å; L118-A146 HydrophobicContact CD1-CB 4.25Å; L142-A146 VanDerWaalsContact O-CB 3.32Å; L142-A146 WeakPolarHBondContact O-CB 3.32Å; L142-A146 PolarHBondContact O-N 2.93Å; Y143-A146 WeakPolarHBondContact O-CB 3.22Å; Y143-A146 PolarHBondContact O-N 2.78Å; A146-R150 PolarHBondContact O-N 3.12Å; A146-R150 VanDerWaalsContact O-N 3.12Å; A146-M151 HydrophobicContact CB-CB 4.01Å; A146-M151 HydrophobicContact CB-CG 4.41Å; A146-M151 WeakPolarHBondContact O-CB 3.13Å; A146-M151 PolarHBondContact O-N 3.41Å; A146-V154 HydrophobicContact CB-CG2 3.6Å; A146-V193 HydrophobicContact CB-CG2 3.66Å
147E96.8Very high97.8Very high62 Ų6231.2 Ų31.229%0.2914%0.137SC..Hα-helixtrans-62.3-54.4173.9-169.9174.3-150.500112.5Y143 R144 L145 C149 R150 V193 K196Y143-E147 PolarHBondContact O-N 2.91Å; R144-E147 WeakPolarHBondContact O-CB 3.21Å; R144-E147 PolarHBondContact O-N 2.83Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 PolarHBondContact O-N 3.33Å; E147-C149 VanDerWaalsContact C-N 3.28Å; E147-C149 PolarHBondContact O-N 3.26Å; E147-R150 WeakPolarHBondContact O-CA 3.47Å; E147-R150 PolarHBondContact O-N 3.41Å; E147-V193 VanDerWaalsContact CA-CG1 3.42Å; E147-V193 HydrophobicContact CB-CG1 3.66Å; E147-V193 HydrophobicContact CG-CG1 4Å; E147-K196 WeakPolarHBondContact OE1-CG 3.33Å
148E96.9Very high97.8Very high72 Ų7230.5 Ų30.534%0.33613%0.134SC..Hα-helixtrans-66-31.5-178.9-64.4-59.7154.700112.5L27 I28 R144 L145 R150 K196L27-E148 HydrophobicContact CD1-CB 3.83Å; L27-E148 HydrophobicContact CD1-CG 4.41Å; L27-E148 HydrophobicContact CD2-CB 3.65Å; L27-E148 HydrophobicContact CG-CB 3.45Å; L27-E148 VanDerWaalsContact CG-CB 3.45Å; L27-E148 HydrophobicContact CG-CG 4.05Å; I28-E148 HydrophobicContact CG2-CB 4.49Å; I28-E148 HydrophobicContact CG2-CG 4.01Å; R144-E148 WeakPolarHBondContact O-CG 3.31Å; R144-E148 PolarHBondContact O-N 3.12Å; L145-E148 PolarHBondContact O-N 3.15Å; E148-R150 PolarHBondContact O-N 2.73Å; E148-K196 IonicContact OE1-NZ 3.58Å; E148-K196 PolarHBondContact OE1-NZ 3.4Å; E148-K196 IonicContact OE2-NZ 3.28Å
149C97Very high97.8Very high9 Ų930.8 Ų30.86%0.06114%0.136CC..THydrogen-bonded Turntrans-81.61.2172.8-71.50000113.7A16 F109 L145 E147 M151A16-C149 HydrophobicContact CB-CB 4.14Å; F109-C149 HydrophobicContact CE1-CB 3.88Å; F109-C149 HydrophobicContact CZ-CB 4.34Å; L145-C149 VanDerWaalsContact O-CB 3.24Å; L145-C149 WeakPolarHBondContact O-CB 3.44Å; L145-C149 PolarHBondContact O-N 2.92Å; L145-C149 PolarHBondContact O-SG 3.24Å; E147-C149 VanDerWaalsContact C-N 3.28Å; E147-C149 PolarHBondContact O-N 3.26Å; C149-M151 HydrophobicContact CB-CE 4.22Å; C149-M151 HydrophobicContact CB-CG 4.24Å; C149-M151 WeakPolarHBondContact O-CE 3.44Å; C149-M151 PolarHBondContact O-N 3.27Å
150R96Very high97.8Very high152 Ų15236.3 Ų36.357%0.57416%0.157SC*.THydrogen-bonded Turntrans58.732.6179.1-53.317462.3-167.21.7113.7L12 A146 E147 E148L12-R150 HydrophobicContact CD1-CB 4.03Å; L12-R150 HydrophobicContact CD2-CB 4.2Å; A146-R150 PolarHBondContact O-N 3.12Å; A146-R150 VanDerWaalsContact O-N 3.12Å; E147-R150 WeakPolarHBondContact O-CA 3.47Å; E147-R150 PolarHBondContact O-N 3.41Å; E148-R150 PolarHBondContact O-N 2.73Å
151M97.5Very high97.8Very high5 Ų536.3 Ų36.33%0.02516%0.157CC..  trans-69.7150.2167.6-59.1-61.2105.300109.2L12 V13 A16 F109 P116 V117 L118 A146 C149 V193L12-M151 HydrophobicContact CB-CE 3.87Å; V13-M151 HydrophobicContact CG2-CE 4.42Å; V13-M151 HydrophobicContact CG2-SD 4.29Å; A16-M151 HydrophobicContact CB-CE 4.49Å; F109-M151 HydrophobicContact CD1-CE 4.49Å; F109-M151 HydrophobicContact CD1-CG 3.85Å; F109-M151 HydrophobicContact CD1-SD 3.83Å; F109-M151 HydrophobicContact CE1-CG 4.13Å; P116-M151 VanDerWaalsContact C-SD 3.6Å; P116-M151 HydrophobicContact CB-CE 3.95Å; P116-M151 HydrophobicContact CB-SD 3.81Å; P116-M151 CarbonylContact O-C 3.6Å; P116-M151 WeakPolarHBondContact O-CA 3.32Å; V117-M151 VanDerWaalsContact C-SD 3.6Å; V117-M151 PolarHBondContact N-SD 3.29Å; L118-M151 HydrophobicContact CB-CG 4.43Å; A146-M151 HydrophobicContact CB-CB 4.01Å; A146-M151 HydrophobicContact CB-CG 4.41Å; A146-M151 WeakPolarHBondContact O-CB 3.13Å; A146-M151 PolarHBondContact O-N 3.41Å; C149-M151 HydrophobicContact CB-CE 4.22Å; C149-M151 HydrophobicContact CB-CG 4.24Å; C149-M151 WeakPolarHBondContact O-CE 3.44Å; C149-M151 PolarHBondContact O-N 3.27Å; M151-V193 WeakPolarHBondContact O-CB 3.41Å
152K96.5Very high97.8Very high103 Ų10336.4 Ų36.445%0.44816%0.157SC..SBendtrans-80.6-31.1-179-73.2180178.4169.20113N115 P116 V193N115-K152 HydrophobicContact CB-CB 4.49Å; N115-K152 HydrophobicContact CB-CD 3.89Å; N115-K152 WeakPolarHBondContact OD1-CD 3.48Å; N115-K152 PolarHBondContact OD1-NZ 2.92Å; P116-K152 HydrophobicContact CG-CG 4.22Å; P116-K152 PolarHBondContact O-N 2.67Å; K152-V193 PolarHBondContact O-N 2.93Å
153K97.7Very high97.7Very high17 Ų1742.7 Ų42.77%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-155157.6-17654.6179.9-171.6174.70110.6D112 V117 L118 V155 D177 R191D112-K153 WeakPolarHBondContact OD2-CE 3.21Å; D112-K153 IonicContact OD2-NZ 3.02Å; D112-K153 PolarHBondContact OD2-NZ 2.66Å; V117-K153 WeakPolarHBondContact CA-O 3.37Å; V117-K153 HydrophobicContact CB-CG 4.25Å; V117-K153 WeakPolarHBondContact CB-O 3.39Å; V117-K153 HydrophobicContact CG1-CD 4.1Å; V117-K153 VanDerWaalsContact CG1-CE 3.45Å; V117-K153 HydrophobicContact CG1-CG 3.43Å; V117-K153 VanDerWaalsContact CG1-CG 3.43Å; L118-K153 PolarHBondContact N-O 2.87Å; K153-V155 HydrophobicContact CD-CG2 3.82Å; K153-V155 HydrophobicContact CG-CG2 3.8Å; K153-D177 VanDerWaalsContact CD-OD1 3.31Å; K153-D177 WeakPolarHBondContact CD-OD1 3.35Å; K153-D177 WeakPolarHBondContact CE-OD1 3.49Å; K153-D177 IonicContact NZ-OD1 2.98Å; K153-D177 PolarHBondContact NZ-OD1 3.42Å; K153-D177 IonicContact NZ-OD2 2.78Å; K153-D177 PolarHBondContact NZ-OD2 2.79Å; K153-R191 VanDerWaalsContact CA-O 3.27Å; K153-R191 WeakPolarHBondContact CA-O 3.49Å; K153-R191 WeakPolarHBondContact CB-O 3.4Å
154V98.7Very high97.7Very high0 Ų045.9 Ų45.90%021%0.209CC..EExtended strand (participates in β ladder)trans-96.6133.8160.9177.40000107.4L118 Y143 A146 F174 S190 R191 V193L118-V154 HydrophobicContact CB-CG2 4.4Å; L118-V154 HydrophobicContact CD2-CG1 4.12Å; L118-V154 CarbonylContact O-C 3.55Å; L118-V154 VanDerWaalsContact O-CA 3.25Å; L118-V154 WeakPolarHBondContact O-CA 3.15Å; Y143-V154 HydrophobicContact CD1-CB 4.3Å; Y143-V154 HydrophobicContact CD1-CG2 3.63Å; Y143-V154 HydrophobicContact CE1-CB 3.63Å; Y143-V154 HydrophobicContact CE1-CG2 3.48Å; Y143-V154 VanDerWaalsContact CE1-CG2 3.48Å; Y143-V154 HydrophobicContact CE2-CB 4.42Å; Y143-V154 HydrophobicContact CE2-CG2 4.47Å; Y143-V154 HydrophobicContact CG-CG2 4.14Å; A146-V154 HydrophobicContact CB-CG2 3.6Å; V154-F174 HydrophobicContact CB-CZ 4.47Å; V154-F174 HydrophobicContact CG1-CE1 4.29Å; V154-F174 HydrophobicContact CG1-CZ 4.03Å; V154-S190 WeakPolarHBondContact O-CA 3.03Å; V154-S190 VanDerWaalsContact O-CB 3.26Å; V154-S190 WeakPolarHBondContact O-CB 3.34Å; V154-R191 PolarHBondContact N-O 2.95Å; V154-R191 PolarHBondContact O-N 3.19Å; V154-R191 VanDerWaalsContact O-N 3.08Å; V154-V193 HydrophobicContact CG2-CG2 4.43Å
155V98.7Very high97.8Very high0 Ų043.3 Ų43.30%020%0.203CC..EExtended strand (participates in β ladder)trans-122.6142.6-175.5-174.40000109.6V117 L118 Y119 C120 K153 I188 L189V117-V155 HydrophobicContact CB-CG2 3.96Å; V117-V155 HydrophobicContact CG1-CG2 4.02Å; V117-V155 HydrophobicContact CG2-CG2 4.13Å; L118-V155 PolarHBondContact O-N 2.91Å; Y119-V155 CarbonylContact C-O 3.49Å; Y119-V155 WeakPolarHBondContact CA-O 3.4Å; Y119-V155 HydrophobicContact CD2-CB 3.89Å; Y119-V155 HydrophobicContact CD2-CG1 3.86Å; Y119-V155 HydrophobicContact CE1-CG1 4.35Å; Y119-V155 HydrophobicContact CE2-CB 4.05Å; Y119-V155 HydrophobicContact CE2-CG1 3.48Å; Y119-V155 VanDerWaalsContact CE2-CG1 3.48Å; Y119-V155 HydrophobicContact CG-CB 4.21Å; Y119-V155 HydrophobicContact CG-CG1 4.44Å; C120-V155 PolarHBondContact N-O 3.33Å; K153-V155 HydrophobicContact CD-CG2 3.82Å; K153-V155 HydrophobicContact CG-CG2 3.8Å; V155-I188 HydrophobicContact CG1-CG2 3.37Å; V155-L189 CarbonylContact C-O 3.55Å; V155-L189 WeakPolarHBondContact CA-O 3.41Å
156A98.7Very high97.8Very high2 Ų245.6 Ų45.62%0.01722%0.215CC..EExtended strand (participates in β ladder)trans-140.5148171.200000110C120 F169 F174 L189C120-A156 HydrophobicContact CB-CB 4.32Å; A156-F169 HydrophobicContact CB-CD1 4.44Å; A156-F169 HydrophobicContact CB-CE1 3.67Å; A156-F169 HydrophobicContact CB-CE2 4.19Å; A156-F169 HydrophobicContact CB-CZ 3.51Å; A156-F174 HydrophobicContact CB-CE1 4.37Å; A156-L189 PolarHBondContact N-O 3.27Å; A156-L189 PolarHBondContact O-N 3.22Å
157T98.5Very high97.8Very high38 Ų3848.9 Ų48.923%0.23323%0.233CC..EExtended strand (participates in β ladder)trans-101.1133.4168.1-70.70000109.7W72 Y119 Y186W72-T157 HydrophobicContact CH2-CG2 3.8Å; W72-T157 HydrophobicContact CZ3-CG2 4.46Å; Y119-T157 PolarHBondContact OH-OG1 3Å; T157-Y186 HydrophobicContact CG2-CD2 3.45Å; T157-Y186 VanDerWaalsContact CG2-CD2 3.45Å; T157-Y186 HydrophobicContact CG2-CE2 4.26Å; T157-Y186 HydrophobicContact CG2-CG 3.84Å
158V98.6Very high97.9Very high4 Ų448.2 Ų48.22%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-130.7131.8-179.8-173.60000109.2N162 S165 L166 F169 Y186 V187 L189V158-N162 HydrophobicContact CG1-CB 4.38Å; V158-S165 WeakPolarHBondContact CG1-OG 3.25Å; V158-L166 HydrophobicContact CB-CD2 4.07Å; V158-L166 HydrophobicContact CG1-CD2 3.72Å; V158-L166 HydrophobicContact CG1-CG 3.93Å; V158-F169 HydrophobicContact CG2-CD2 3.53Å; V158-F169 HydrophobicContact CG2-CE2 3.65Å; V158-F169 HydrophobicContact CG2-CG 4.44Å; V158-Y186 CarbonylContact O-C 3.57Å; V158-Y186 WeakPolarHBondContact O-CA 3.26Å; V158-V187 HydrophobicContact CB-CG1 4.43Å; V158-V187 PolarHBondContact N-O 2.86Å; V158-V187 PolarHBondContact O-N 2.84Å; V158-L189 HydrophobicContact CB-CD1 4.43Å; V158-L189 HydrophobicContact CG2-CD1 3.9Å; V158-L189 HydrophobicContact CG2-CG 4.49Å
159F98.6Very high98Very high7 Ų745 Ų453%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-62.9137.7169.9-69.3-55.3000111M63 Y67 S70 W72 H161 N162M63-F159 HydrophobicContact CE-CD2 3.94Å; M63-F159 HydrophobicContact CE-CE2 3.99Å; Y67-F159 AromaticContact CD1-CE2 3.91Å; Y67-F159 HydrophobicContact CD1-CE2 3.91Å; Y67-F159 AromaticContact CD1-CZ 3.62Å; Y67-F159 HydrophobicContact CD1-CZ 3.62Å; Y67-F159 HydrophobicContact CD2-CE2 4.01Å; Y67-F159 AromaticContact CE1-CE2 3.92Å; Y67-F159 HydrophobicContact CE1-CE2 3.92Å; Y67-F159 AromaticContact CE1-CZ 3.63Å; Y67-F159 HydrophobicContact CE1-CZ 3.63Å; Y67-F159 AromaticContact CE2-CE2 3.98Å; Y67-F159 HydrophobicContact CE2-CE2 3.98Å; Y67-F159 AromaticContact CG-CE2 3.93Å; Y67-F159 HydrophobicContact CG-CE2 3.93Å; Y67-F159 HydrophobicContact CG-CZ 4.08Å; Y67-F159 AromaticContact CZ-CE2 3.89Å; S70-F159 WeakPolarHBondContact OG-CE1 3.45Å; S70-F159 WeakPolarHBondContact OG-CZ 3.49Å; W72-F159 HydrophobicContact CD2-CE1 4.08Å; W72-F159 HydrophobicContact CD2-CZ 4.3Å; W72-F159 AromaticContact CE3-CE1 3.51Å; W72-F159 HydrophobicContact CE3-CE1 3.51Å; W72-F159 AromaticContact CE3-CZ 3.42Å; W72-F159 HydrophobicContact CE3-CZ 3.42Å; W72-F159 VanDerWaalsContact CE3-CZ 3.42Å; W72-F159 AromaticContact CZ3-CE1 3.79Å; W72-F159 HydrophobicContact CZ3-CE1 3.79Å; W72-F159 AromaticContact CZ3-CZ 3.79Å; W72-F159 HydrophobicContact CZ3-CZ 3.79Å; F159-H161 VanDerWaalsContact C-N 3.25Å; F159-H161 AromaticContact CD1-CE1 3.9Å; F159-H161 AromaticContact CG-CE1 3.75Å; F159-H161 PolarHBondContact O-N 3.17Å; F159-N162 HydrophobicContact CB-CB 4.05Å; F159-N162 WeakPolarHBondContact O-CB 3.35Å; F159-N162 PolarHBondContact O-N 2.79Å
160R97.9Very high98Very high115 Ų11551.9 Ų51.943%0.43424%0.243SC..THydrogen-bonded Turntrans-64.6-30.9-178.9-69-178.1-173.8-81.8-6.2112.4N162 L166 K184 D185 Y186R160-N162 VanDerWaalsContact C-N 3.28Å; R160-L166 WeakPolarHBondContact O-CD1 3.37Å; R160-K184 VanDerWaalsContact CD-O 3.32Å; R160-K184 WeakPolarHBondContact CD-O 3.35Å; R160-K184 PolarHBondContact NE-O 3Å; R160-D185 WeakPolarHBondContact CB-O 3.44Å; R160-D185 WeakPolarHBondContact CG-O 3.33Å; R160-D185 PolarHBondContact N-O 3.4Å; R160-Y186 PolarHBondContact NE-O 3.05Å; R160-Y186 PolarHBondContact NH2-O 3.35Å
161H97.5Very high98.1Very high75 Ų7551.1 Ų51.135%0.34724%0.244SC..THydrogen-bonded Turntrans-79.8-3.9173.254.8-72.7000113.7Y66 F159 E163Y66-H161 AromaticContact CD1-CD2 3.89Å; Y66-H161 PolarHBondContact O-NE2 3.35Å; F159-H161 VanDerWaalsContact C-N 3.25Å; F159-H161 AromaticContact CD1-CE1 3.9Å; F159-H161 AromaticContact CG-CE1 3.75Å; F159-H161 PolarHBondContact O-N 3.17Å; H161-E163 PolarHBondContact O-N 2.55Å
162N98Very high98.1Very high11 Ų1152.4 Ų52.46%0.05925%0.25CC..  trans-91.769.2173.5-168.9-22.1000110.8Y66 V158 F159 R160 P164 S165 L166Y66-N162 HydrophobicContact CD1-CB 3.79Å; Y66-N162 HydrophobicContact CE1-CB 3.81Å; Y66-N162 HydrophobicContact CG-CB 4.38Å; V158-N162 HydrophobicContact CG1-CB 4.38Å; F159-N162 HydrophobicContact CB-CB 4.05Å; F159-N162 WeakPolarHBondContact O-CB 3.35Å; F159-N162 PolarHBondContact O-N 2.79Å; R160-N162 VanDerWaalsContact C-N 3.28Å; N162-P164 VanDerWaalsContact C-CD 3.45Å; N162-S165 VanDerWaalsContact CG-CB 3.46Å; N162-S165 PolarHBondContact O-N 3.38Å; N162-S165 VanDerWaalsContact O-N 3.14Å; N162-S165 VanDerWaalsContact OD1-CB 3.22Å; N162-S165 WeakPolarHBondContact OD1-CB 3.34Å; N162-S165 PolarHBondContact OD1-N 2.66Å; N162-S165 VanDerWaalsContact OD1-N 3.09Å; N162-L166 WeakPolarHBondContact O-CG 3.46Å; N162-L166 PolarHBondContact O-N 2.85Å
163E98Very high98.1Very high131 Ų13153.2 Ų53.261%0.61226%0.258SS*.Hα-helixtrans-53.9-41.7179.2-172.1-173.8175.700113.6H161 S165 L166 N167H161-E163 PolarHBondContact O-N 2.55Å; E163-S165 VanDerWaalsContact C-N 3.31Å; E163-S165 PolarHBondContact O-N 3.26Å; E163-L166 PolarHBondContact O-N 2.71Å; E163-N167 WeakPolarHBondContact CG-ND2 3.24Å; E163-N167 WeakPolarHBondContact O-CB 3.27Å; E163-N167 PolarHBondContact O-N 2.82Å; E163-N167 PolarHBondContact O-ND2 3.17Å; E163-N167 PolarHBondContact OE1-ND2 3.05Å
164P97.2Very high98.1Very high81 Ų8152.8 Ų52.853%0.52626%0.256SS..Hα-helixtrans-56.9-42.4176.3-26.936.4000113.3N162 F168N162-P164 VanDerWaalsContact C-CD 3.45Å; P164-F168 WeakPolarHBondContact O-CB 3.44Å; P164-F168 PolarHBondContact O-N 3.5Å
165S98.2Very high98.1Very high26 Ų2659 Ų5918%0.18229%0.289CS..Hα-helixtrans-70.9-43178.3-1730000111.9V158 N162 E163 N167 F168 F169V158-S165 WeakPolarHBondContact CG1-OG 3.25Å; N162-S165 VanDerWaalsContact CG-CB 3.46Å; N162-S165 PolarHBondContact O-N 3.38Å; N162-S165 VanDerWaalsContact O-N 3.14Å; N162-S165 VanDerWaalsContact OD1-CB 3.22Å; N162-S165 WeakPolarHBondContact OD1-CB 3.34Å; N162-S165 PolarHBondContact OD1-N 2.66Å; N162-S165 VanDerWaalsContact OD1-N 3.09Å; E163-S165 VanDerWaalsContact C-N 3.31Å; E163-S165 PolarHBondContact O-N 3.26Å; S165-N167 VanDerWaalsContact C-N 3.31Å; S165-N167 PolarHBondContact O-N 3.22Å; S165-F168 WeakPolarHBondContact O-CB 3.3Å; S165-F168 PolarHBondContact O-N 3.49Å; S165-F168 VanDerWaalsContact O-N 3.12Å; S165-F169 VanDerWaalsContact O-CD2 3.32Å; S165-F169 WeakPolarHBondContact O-CD2 3.29Å; S165-F169 PolarHBondContact O-N 2.81Å; S165-F169 WeakPolarHBondContact OG-CE2 3.44Å
166L98.5Very high98.1Very high48 Ų4864.6 Ų64.625%0.25132%0.317SS..Hα-helixtrans-56.8-45.8174.4-68.7174.4000111.7V158 R160 N162 E163 F168 F169 K170 V187 L189V158-L166 HydrophobicContact CB-CD2 4.07Å; V158-L166 HydrophobicContact CG1-CD2 3.72Å; V158-L166 HydrophobicContact CG1-CG 3.93Å; R160-L166 WeakPolarHBondContact O-CD1 3.37Å; N162-L166 WeakPolarHBondContact O-CG 3.46Å; N162-L166 PolarHBondContact O-N 2.85Å; E163-L166 PolarHBondContact O-N 2.71Å; L166-F168 VanDerWaalsContact C-N 3.33Å; L166-F168 PolarHBondContact O-N 2.87Å; L166-F169 PolarHBondContact O-N 3.49Å; L166-K170 VanDerWaalsContact O-CB 3.26Å; L166-K170 WeakPolarHBondContact O-CB 3.48Å; L166-K170 PolarHBondContact O-N 3.26Å; L166-V187 HydrophobicContact CD2-CG1 3.7Å; L166-L189 HydrophobicContact CD2-CD1 4.34Å
167N98.4Very high98Very high69 Ų6965 Ų6537%0.36932%0.32SS..Hα-helixtrans-65.1-36.9177.2-79.4-32.4000112.3E163 S165 K171E163-N167 WeakPolarHBondContact CG-ND2 3.24Å; E163-N167 WeakPolarHBondContact O-CB 3.27Å; E163-N167 PolarHBondContact O-N 2.82Å; E163-N167 PolarHBondContact O-ND2 3.17Å; E163-N167 PolarHBondContact OE1-ND2 3.05Å; S165-N167 VanDerWaalsContact C-N 3.31Å; S165-N167 PolarHBondContact O-N 3.22Å; N167-K171 VanDerWaalsContact O-CG 3.3Å; N167-K171 WeakPolarHBondContact O-CG 3.22Å; N167-K171 PolarHBondContact O-N 3.31Å
168F98.5Very high97.9Very high48 Ų4868.5 Ų68.521%0.21135%0.352CS..Hα-helixtrans-62-55.1173.7169.4-105.9000111.2I123 L139 P164 S165 L166 K170 K171 Q172I123-F168 HydrophobicContact CD1-CE1 4.24Å; I123-F168 HydrophobicContact CD1-CZ 4.25Å; L139-F168 HydrophobicContact CB-CZ 4.32Å; L139-F168 HydrophobicContact CD2-CE1 3.83Å; L139-F168 HydrophobicContact CD2-CZ 3.88Å; P164-F168 WeakPolarHBondContact O-CB 3.44Å; P164-F168 PolarHBondContact O-N 3.5Å; S165-F168 WeakPolarHBondContact O-CB 3.3Å; S165-F168 PolarHBondContact O-N 3.49Å; S165-F168 VanDerWaalsContact O-N 3.12Å; L166-F168 VanDerWaalsContact C-N 3.33Å; L166-F168 PolarHBondContact O-N 2.87Å; F168-K170 PolarHBondContact O-N 3.27Å; F168-K171 WeakPolarHBondContact O-CB 3.41Å; F168-K171 PolarHBondContact O-N 3.29Å; F168-K171 VanDerWaalsContact O-N 3.16Å; F168-Q172 HydrophobicContact CD2-CG 4.38Å; F168-Q172 HydrophobicContact CE1-CG 4.47Å; F168-Q172 HydrophobicContact CE2-CG 4.02Å; F168-Q172 HydrophobicContact CZ-CG 4.06Å; F168-Q172 WeakPolarHBondContact O-CG 3.07Å; F168-Q172 PolarHBondContact O-N 2.94Å; F168-Q172 VanDerWaalsContact O-N 3.11Å
169F98.7Very high97.6Very high5 Ų569 Ų692%0.02236%0.356CS..Hα-helixtrans-64.7-37-178.2-80.2-72000113I123 L139 A156 V158 S165 L166 K171 Q172 L173 F174 L189I123-F169 HydrophobicContact CG2-CE2 4.3Å; I123-F169 HydrophobicContact CG2-CZ 3.86Å; L139-F169 HydrophobicContact CD1-CE1 4.2Å; L139-F169 HydrophobicContact CD2-CD1 4.18Å; L139-F169 HydrophobicContact CD2-CE1 4Å; A156-F169 HydrophobicContact CB-CD1 4.44Å; A156-F169 HydrophobicContact CB-CE1 3.67Å; A156-F169 HydrophobicContact CB-CE2 4.19Å; A156-F169 HydrophobicContact CB-CZ 3.51Å; V158-F169 HydrophobicContact CG2-CD2 3.53Å; V158-F169 HydrophobicContact CG2-CE2 3.65Å; V158-F169 HydrophobicContact CG2-CG 4.44Å; S165-F169 VanDerWaalsContact O-CD2 3.32Å; S165-F169 WeakPolarHBondContact O-CD2 3.29Å; S165-F169 PolarHBondContact O-N 2.81Å; S165-F169 WeakPolarHBondContact OG-CE2 3.44Å; L166-F169 PolarHBondContact O-N 3.49Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.25Å; F169-Q172 CarbonylContact O-C 3.46Å; F169-Q172 WeakPolarHBondContact O-CA 3.43Å; F169-Q172 PolarHBondContact O-N 2.89Å; F169-L173 PolarHBondContact O-N 3.41Å; F169-F174 HydrophobicContact CB-CB 4.1Å; F169-F174 HydrophobicContact CB-CD2 4.47Å; F169-F174 HydrophobicContact CB-CG 4.24Å; F169-F174 HydrophobicContact CD1-CB 4.49Å; F169-F174 AromaticContact CD1-CD1 3.73Å; F169-F174 HydrophobicContact CD1-CD1 3.73Å; F169-F174 AromaticContact CD1-CD2 3.71Å; F169-F174 HydrophobicContact CD1-CD2 3.71Å; F169-F174 AromaticContact CD1-CE1 3.69Å; F169-F174 HydrophobicContact CD1-CE1 3.69Å; F169-F174 AromaticContact CD1-CE2 3.63Å; F169-F174 HydrophobicContact CD1-CE2 3.63Å; F169-F174 AromaticContact CD1-CG 3.74Å; F169-F174 HydrophobicContact CD1-CG 3.74Å; F169-F174 AromaticContact CD1-CZ 3.61Å; F169-F174 HydrophobicContact CD1-CZ 3.61Å; F169-F174 HydrophobicContact CE1-CD1 4.28Å; F169-F174 AromaticContact CE1-CE1 3.8Å; F169-F174 HydrophobicContact CE1-CE1 3.8Å; F169-F174 HydrophobicContact CE1-CE2 4.05Å; F169-F174 AromaticContact CE1-CZ 3.64Å; F169-F174 HydrophobicContact CE1-CZ 3.64Å; F169-F174 HydrophobicContact CG-CG 4.44Å; F169-F174 WeakPolarHBondContact O-CB 3.47Å; F169-F174 PolarHBondContact O-N 3.26Å; F169-L189 HydrophobicContact CB-CD1 3.6Å; F169-L189 HydrophobicContact CD2-CD1 4.43Å; F169-L189 HydrophobicContact CG-CD1 4.12Å
170K98.1Very high97.6Very high153 Ų15369.3 Ų69.367%0.66536%0.359SS*.Hα-helixtrans-58.3-44.6172.7-177.9178.3178.2179.70111.8L166 F168 Q172 L173L166-K170 VanDerWaalsContact O-CB 3.26Å; L166-K170 WeakPolarHBondContact O-CB 3.48Å; L166-K170 PolarHBondContact O-N 3.26Å; F168-K170 PolarHBondContact O-N 3.27Å; K170-Q172 PolarHBondContact O-N 2.98Å; K170-L173 PolarHBondContact O-N 2.91Å
171K97.7Very high97.5Very high136 Ų13665.6 Ų65.659%0.59135%0.35SS*.Hα-helixtrans-65.2-26.9175.3-73.2177.1-177-173.70112.9N167 F168 F169 L173N167-K171 VanDerWaalsContact O-CG 3.3Å; N167-K171 WeakPolarHBondContact O-CG 3.22Å; N167-K171 PolarHBondContact O-N 3.31Å; F168-K171 WeakPolarHBondContact O-CB 3.41Å; F168-K171 PolarHBondContact O-N 3.29Å; F168-K171 VanDerWaalsContact O-N 3.16Å; F169-K171 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.25Å; K171-L173 PolarHBondContact O-N 2.78Å
172Q97.4Very high97.3Very high32 Ų3270.7 Ų70.715%0.1537%0.373CS..THydrogen-bonded Turntrans-85.812.1174.5-59.7-60.4-50.400113S136 L139 F168 F169 K170 F174 R191S136-Q172 PolarHBondContact OG-NE2 2.95Å; L139-Q172 HydrophobicContact CD2-CB 3.75Å; L139-Q172 HydrophobicContact CD2-CG 3.66Å; F168-Q172 HydrophobicContact CD2-CG 4.38Å; F168-Q172 HydrophobicContact CE1-CG 4.47Å; F168-Q172 HydrophobicContact CE2-CG 4.02Å; F168-Q172 HydrophobicContact CZ-CG 4.06Å; F168-Q172 WeakPolarHBondContact O-CG 3.07Å; F168-Q172 PolarHBondContact O-N 2.94Å; F168-Q172 VanDerWaalsContact O-N 3.11Å; F169-Q172 CarbonylContact O-C 3.46Å; F169-Q172 WeakPolarHBondContact O-CA 3.43Å; F169-Q172 PolarHBondContact O-N 2.89Å; K170-Q172 PolarHBondContact O-N 2.98Å; Q172-F174 VanDerWaalsContact C-N 3.29Å; Q172-F174 HydrophobicContact CB-CD2 3.95Å; Q172-F174 HydrophobicContact CB-CE2 4.05Å; Q172-F174 PolarHBondContact O-N 2.87Å; Q172-R191 VanDerWaalsContact O-CD 3.27Å; Q172-R191 WeakPolarHBondContact O-CD 3.41Å; Q172-R191 PolarHBondContact O-NH1 3.22Å
173L96.8Very high97.1Very high119 Ų11973.9 Ų73.962%0.62341%0.408SS*.THydrogen-bonded Turntrans63.827.5176.6-50.9176.3000114.5F169 K170 K171F169-L173 PolarHBondContact O-N 3.41Å; K170-L173 PolarHBondContact O-N 2.91Å; K171-L173 PolarHBondContact O-N 2.78Å
174F98.4Very high97.1Very high9 Ų971.6 Ų71.64%0.03940%0.396CS..  trans-75.4145167.9-76.1-122.6000110.2L139 Y143 V154 A156 F169 Q172 L189 S190 R191L139-F174 HydrophobicContact CD1-CE2 4.41Å; L139-F174 HydrophobicContact CD1-CZ 4.01Å; L139-F174 HydrophobicContact CD2-CE2 3.51Å; L139-F174 HydrophobicContact CD2-CZ 3.94Å; L139-F174 HydrophobicContact CG-CE2 4.2Å; L139-F174 HydrophobicContact CG-CZ 4.29Å; Y143-F174 AromaticContact CE2-CE2 3.59Å; Y143-F174 HydrophobicContact CE2-CE2 3.59Å; Y143-F174 AromaticContact CE2-CZ 3.86Å; Y143-F174 HydrophobicContact CE2-CZ 3.86Å; Y143-F174 AromaticContact CZ-CE2 3.6Å; Y143-F174 AromaticContact CZ-CZ 3.69Å; Y143-F174 WeakPolarHBondContact OH-CD2 3.49Å; Y143-F174 WeakPolarHBondContact OH-CE1 3.46Å; Y143-F174 WeakPolarHBondContact OH-CE2 3.4Å; Y143-F174 WeakPolarHBondContact OH-CZ 3.41Å; V154-F174 HydrophobicContact CB-CZ 4.47Å; V154-F174 HydrophobicContact CG1-CE1 4.29Å; V154-F174 HydrophobicContact CG1-CZ 4.03Å; A156-F174 HydrophobicContact CB-CE1 4.37Å; F169-F174 HydrophobicContact CB-CB 4.1Å; F169-F174 HydrophobicContact CB-CD2 4.47Å; F169-F174 HydrophobicContact CB-CG 4.24Å; F169-F174 HydrophobicContact CD1-CB 4.49Å; F169-F174 AromaticContact CD1-CD1 3.73Å; F169-F174 HydrophobicContact CD1-CD1 3.73Å; F169-F174 AromaticContact CD1-CD2 3.71Å; F169-F174 HydrophobicContact CD1-CD2 3.71Å; F169-F174 AromaticContact CD1-CE1 3.69Å; F169-F174 HydrophobicContact CD1-CE1 3.69Å; F169-F174 AromaticContact CD1-CE2 3.63Å; F169-F174 HydrophobicContact CD1-CE2 3.63Å; F169-F174 AromaticContact CD1-CG 3.74Å; F169-F174 HydrophobicContact CD1-CG 3.74Å; F169-F174 AromaticContact CD1-CZ 3.61Å; F169-F174 HydrophobicContact CD1-CZ 3.61Å; F169-F174 HydrophobicContact CE1-CD1 4.28Å; F169-F174 AromaticContact CE1-CE1 3.8Å; F169-F174 HydrophobicContact CE1-CE1 3.8Å; F169-F174 HydrophobicContact CE1-CE2 4.05Å; F169-F174 AromaticContact CE1-CZ 3.64Å; F169-F174 HydrophobicContact CE1-CZ 3.64Å; F169-F174 HydrophobicContact CG-CG 4.44Å; F169-F174 WeakPolarHBondContact O-CB 3.47Å; F169-F174 PolarHBondContact O-N 3.26Å; Q172-F174 VanDerWaalsContact C-N 3.29Å; Q172-F174 HydrophobicContact CB-CD2 3.95Å; Q172-F174 HydrophobicContact CB-CE2 4.05Å; Q172-F174 PolarHBondContact O-N 2.87Å; F174-L189 HydrophobicContact CB-CB 4.08Å; F174-L189 HydrophobicContact CD1-CB 3.91Å; F174-L189 HydrophobicContact CG-CB 4.47Å; F174-S190 WeakPolarHBondContact CA-O 3.31Å; F174-R191 HydrophobicContact CD2-CB 4.26Å; F174-R191 HydrophobicContact CG-CB 4.38Å
175L97.9Very high97.1Very high129 Ų12969.1 Ų69.168%0.67538%0.379SS*.EExtended strand (participates in β ladder)trans-118.2165.6174.2-57.8178.2000109.4D177 L189 S190L175-D177 PolarHBondContact O-N 2.82Å; L175-L189 CarbonylContact O-C 3.31Å; L175-L189 WeakPolarHBondContact O-CA 3.44Å; L175-S190 PolarHBondContact N-O 3.25Å; L175-S190 PolarHBondContact O-N 2.9Å
176I98.1Very high97.1Very high118 Ų11869.8 Ų69.861%0.60538%0.378SS*.EExtended strand (participates in β ladder)trans-61.1125.5171-58.3-179.1000108.2V187 L189I176-V187 HydrophobicContact CB-CG2 4.44Å; I176-V187 HydrophobicContact CD1-CG2 4.28Å; I176-V187 HydrophobicContact CG1-CG2 3.97Å; I176-V187 HydrophobicContact CG2-CG2 3.92Å; I176-L189 HydrophobicContact CG1-CD2 4.14Å
177D97.4Very high97.1Very high12 Ų1267.8 Ų67.86%0.06437%0.367CS..  trans-75.6148.3178.5-163.886.1000110.9K153 L175 S179 S180 I188 S190K153-D177 VanDerWaalsContact CD-OD1 3.31Å; K153-D177 WeakPolarHBondContact CD-OD1 3.35Å; K153-D177 WeakPolarHBondContact CE-OD1 3.49Å; K153-D177 IonicContact NZ-OD1 2.98Å; K153-D177 PolarHBondContact NZ-OD1 3.42Å; K153-D177 IonicContact NZ-OD2 2.78Å; K153-D177 PolarHBondContact NZ-OD2 2.79Å; L175-D177 PolarHBondContact O-N 2.82Å; D177-S179 PolarHBondContact O-N 3.25Å; D177-S179 WeakPolarHBondContact OD2-CB 3.04Å; D177-S179 PolarHBondContact OD2-N 3.3Å; D177-S179 PolarHBondContact OD2-OG 3Å; D177-S180 WeakPolarHBondContact O-CB 3.41Å; D177-S180 PolarHBondContact O-N 3.13Å; D177-I188 HydrophobicContact CB-CB 4.27Å; D177-I188 HydrophobicContact CB-CG2 3.82Å; D177-I188 PolarHBondContact N-O 2.93Å; D177-S190 WeakPolarHBondContact OD1-CB 3.49Å; D177-S190 PolarHBondContact OD1-OG 3.1Å
178A95.1Very high97.1Very high110 Ų11065.2 Ų65.291%0.90935%0.353SS*.THydrogen-bonded Turntrans-61.1-22.4175.200000113.3S180A178-S180 VanDerWaalsContact C-N 3.31Å
179S93.9Very high97.1Very high15 Ų1563.6 Ų63.611%0.10535%0.347CS..THydrogen-bonded Turntrans-81.8-5.9173.8690000114.1Y113 D177 P181Y113-S179 VanDerWaalsContact CE2-CB 3.43Å; D177-S179 PolarHBondContact O-N 3.25Å; D177-S179 WeakPolarHBondContact OD2-CB 3.04Å; D177-S179 PolarHBondContact OD2-N 3.3Å; D177-S179 PolarHBondContact OD2-OG 3Å; S179-P181 WeakPolarHBondContact O-CD 3.38Å
180S96.8Very high97.1Very high13 Ų1364 Ų649%0.09135%0.35CS..PPolyproline II helixtrans-64.1123.7-179.3-173.20000110.6D177 A178 V187 I188D177-S180 WeakPolarHBondContact O-CB 3.41Å; D177-S180 PolarHBondContact O-N 3.13Å; A178-S180 VanDerWaalsContact C-N 3.31Å; S180-V187 WeakPolarHBondContact OG-CG2 3.5Å; S180-I188 PolarHBondContact OG-N 3.12Å
181P95.9Very high97Very high38 Ų3860 Ų6025%0.24733%0.331CS..PPolyproline II helixtrans-69.9149.5177.528.3-33.3000111.6S179 K184 Y186S179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-K184 HydrophobicContact CB-CG 3.91Å; P181-K184 HydrophobicContact CG-CB 4.06Å; P181-K184 HydrophobicContact CG-CG 3.78Å; P181-Y186 HydrophobicContact CG-CD2 4.44Å; P181-Y186 HydrophobicContact CG-CE2 3.57Å
182H95Very high97Very high182 Ų18257.7 Ų57.784%0.84333%0.332SS*.SBendtrans-83.9149.6170.1-64.3-78.7000110.6K184H182-K184 PolarHBondContact O-N 3.32Å
183G94Very high96.8Very high77 Ų7757.2 Ų57.279%0.79433%0.331SS*.SBendtrans72.18.3174.500000115.7
184K96.7Very high95.9Very high83 Ų8361.7 Ų61.736%0.36134%0.34SS..  trans-95.5151.8174.7-68.2-66.9173.9-174.20112.1E71 R160 P181 H182 Y186E71-K184 WeakPolarHBondContact OE2-CD 3.48Å; E71-K184 IonicContact OE2-NZ 3.72Å; E71-K184 PolarHBondContact OE2-NZ 3.5Å; R160-K184 VanDerWaalsContact CD-O 3.32Å; R160-K184 WeakPolarHBondContact CD-O 3.35Å; R160-K184 PolarHBondContact NE-O 3Å; P181-K184 HydrophobicContact CB-CG 3.91Å; P181-K184 HydrophobicContact CG-CB 4.06Å; P181-K184 HydrophobicContact CG-CG 3.78Å; H182-K184 PolarHBondContact O-N 3.32Å; K184-Y186 HydrophobicContact CB-CD1 3.94Å; K184-Y186 HydrophobicContact CB-CE1 3.79Å; K184-Y186 HydrophobicContact CB-CG 4.48Å; K184-Y186 HydrophobicContact CD-CE1 4.13Å; K184-Y186 HydrophobicContact CG-CE1 3.98Å; K184-Y186 PolarHBondContact O-N 2.98Å
185D97.5Very high94Very high29 Ų2970.6 Ų70.616%0.15538%0.378CS..SBendtrans-72.5-2.5175.670.3-21.8000113.8S70 E71 R160S70-D185 WeakPolarHBondContact CA-OD2 3.47Å; S70-D185 WeakPolarHBondContact CB-OD2 3.49Å; E71-D185 PolarHBondContact N-OD2 3.07Å; R160-D185 WeakPolarHBondContact CB-O 3.44Å; R160-D185 WeakPolarHBondContact CG-O 3.33Å; R160-D185 PolarHBondContact N-O 3.4Å
186Y98Very high91.9Very high41 Ų4170.8 Ų70.816%0.16137%0.374CS..EExtended strand (participates in β ladder)trans-118165.6169.767.3-90.3000112.3W72 T157 V158 R160 P181 K184 I188W72-Y186 AromaticContact CE2-CD1 3.96Å; W72-Y186 AromaticContact CE2-CE1 3.86Å; W72-Y186 HydrophobicContact CH2-CD1 4.1Å; W72-Y186 HydrophobicContact CH2-CE1 4.34Å; W72-Y186 HydrophobicContact CH2-CG 4.21Å; W72-Y186 AromaticContact CZ2-CD1 3.49Å; W72-Y186 HydrophobicContact CZ2-CD1 3.49Å; W72-Y186 VanDerWaalsContact CZ2-CD1 3.49Å; W72-Y186 HydrophobicContact CZ2-CD2 4.42Å; W72-Y186 AromaticContact CZ2-CE1 3.4Å; W72-Y186 HydrophobicContact CZ2-CE1 3.4Å; W72-Y186 HydrophobicContact CZ2-CE2 4.33Å; W72-Y186 HydrophobicContact CZ2-CG 4.03Å; W72-Y186 AromaticContact CZ2-CZ 3.83Å; W72-Y186 AromaticContact NE1-CE1 3.94Å; T157-Y186 HydrophobicContact CG2-CD2 3.45Å; T157-Y186 VanDerWaalsContact CG2-CD2 3.45Å; T157-Y186 HydrophobicContact CG2-CE2 4.26Å; T157-Y186 HydrophobicContact CG2-CG 3.84Å; V158-Y186 CarbonylContact O-C 3.57Å; V158-Y186 WeakPolarHBondContact O-CA 3.26Å; R160-Y186 PolarHBondContact NE-O 3.05Å; R160-Y186 PolarHBondContact NH2-O 3.35Å; P181-Y186 HydrophobicContact CG-CD2 4.44Å; P181-Y186 HydrophobicContact CG-CE2 3.57Å; K184-Y186 HydrophobicContact CB-CD1 3.94Å; K184-Y186 HydrophobicContact CB-CE1 3.79Å; K184-Y186 HydrophobicContact CB-CG 4.48Å; K184-Y186 HydrophobicContact CD-CE1 4.13Å; K184-Y186 HydrophobicContact CG-CE1 3.98Å; K184-Y186 PolarHBondContact O-N 2.98Å; Y186-I188 HydrophobicContact CD2-CG1 4.38Å; Y186-I188 HydrophobicContact CE2-CG1 4.18Å
187V98.4Very high89.3Confident5 Ų578.4 Ų78.43%0.0340%0.403CS..EExtended strand (participates in β ladder)trans-131137.7173.4650000109.1V158 L166 I176 S180 L189V158-V187 HydrophobicContact CB-CG1 4.43Å; V158-V187 PolarHBondContact N-O 2.86Å; V158-V187 PolarHBondContact O-N 2.84Å; L166-V187 HydrophobicContact CD2-CG1 3.7Å; I176-V187 HydrophobicContact CB-CG2 4.44Å; I176-V187 HydrophobicContact CD1-CG2 4.28Å; I176-V187 HydrophobicContact CG1-CG2 3.97Å; I176-V187 HydrophobicContact CG2-CG2 3.92Å; S180-V187 WeakPolarHBondContact OG-CG2 3.5Å; V187-L189 HydrophobicContact CG1-CD2 3.98Å; V187-L189 HydrophobicContact CG1-CG 4.12Å; V187-L189 HydrophobicContact CG2-CD2 3.97Å
188I98.5Very high88.9Confident16 Ų1681.8 Ų81.88%0.08242%0.419CS..EExtended strand (participates in β ladder)trans-89.4125.2170.5-55.5-178.3000107.3V155 D177 S180 Y186V155-I188 HydrophobicContact CG1-CG2 3.37Å; D177-I188 HydrophobicContact CB-CB 4.27Å; D177-I188 HydrophobicContact CB-CG2 3.82Å; D177-I188 PolarHBondContact N-O 2.93Å; S180-I188 PolarHBondContact OG-N 3.12Å; Y186-I188 HydrophobicContact CD2-CG1 4.38Å; Y186-I188 HydrophobicContact CE2-CG1 4.18Å
189L98.7Very high88.6Confident13 Ų1380.3 Ų80.37%0.06839%0.394CS..EExtended strand (participates in β ladder)trans-112.3147.4178.2-59.4-178.3000109.8V155 A156 V158 L166 F169 F174 L175 I176 V187V155-L189 CarbonylContact C-O 3.55Å; V155-L189 WeakPolarHBondContact CA-O 3.41Å; A156-L189 PolarHBondContact N-O 3.27Å; A156-L189 PolarHBondContact O-N 3.22Å; V158-L189 HydrophobicContact CB-CD1 4.43Å; V158-L189 HydrophobicContact CG2-CD1 3.9Å; V158-L189 HydrophobicContact CG2-CG 4.49Å; L166-L189 HydrophobicContact CD2-CD1 4.34Å; F169-L189 HydrophobicContact CB-CD1 3.6Å; F169-L189 HydrophobicContact CD2-CD1 4.43Å; F169-L189 HydrophobicContact CG-CD1 4.12Å; F174-L189 HydrophobicContact CB-CB 4.08Å; F174-L189 HydrophobicContact CD1-CB 3.91Å; F174-L189 HydrophobicContact CG-CB 4.47Å; L175-L189 CarbonylContact O-C 3.31Å; L175-L189 WeakPolarHBondContact O-CA 3.44Å; I176-L189 HydrophobicContact CG1-CD2 4.14Å; V187-L189 HydrophobicContact CG1-CD2 3.98Å; V187-L189 HydrophobicContact CG1-CG 4.12Å; V187-L189 HydrophobicContact CG2-CD2 3.97Å
190S98.2Very high88.3Confident13 Ų1383.9 Ų83.99%0.09141%0.41CS..EExtended strand (participates in β ladder)trans-147.4161.3170.975.30000113.8V154 F174 L175 D177V154-S190 WeakPolarHBondContact O-CA 3.03Å; V154-S190 VanDerWaalsContact O-CB 3.26Å; V154-S190 WeakPolarHBondContact O-CB 3.34Å; F174-S190 WeakPolarHBondContact CA-O 3.31Å; L175-S190 PolarHBondContact N-O 3.25Å; L175-S190 PolarHBondContact O-N 2.9Å; D177-S190 WeakPolarHBondContact OD1-CB 3.49Å; D177-S190 PolarHBondContact OD1-OG 3.1Å
191R97.5Very high87.8Confident70 Ų7088.1 Ų88.126%0.26443%0.428SS..EExtended strand (participates in β ladder)trans-130133.4163.2-171178.9155.5-162-5.1108Y143 K153 V154 Q172 F174 V193Y143-R191 HydrophobicContact CE1-CB 3.69Å; Y143-R191 HydrophobicContact CE1-CG 3.98Å; Y143-R191 WeakPolarHBondContact OH-CB 3.41Å; K153-R191 VanDerWaalsContact CA-O 3.27Å; K153-R191 WeakPolarHBondContact CA-O 3.49Å; K153-R191 WeakPolarHBondContact CB-O 3.4Å; V154-R191 PolarHBondContact N-O 2.95Å; V154-R191 PolarHBondContact O-N 3.19Å; V154-R191 VanDerWaalsContact O-N 3.08Å; Q172-R191 VanDerWaalsContact O-CD 3.27Å; Q172-R191 WeakPolarHBondContact O-CD 3.41Å; Q172-R191 PolarHBondContact O-NH1 3.22Å; F174-R191 HydrophobicContact CD2-CB 4.26Å; F174-R191 HydrophobicContact CG-CB 4.38Å; R191-V193 PolarHBondContact O-N 3.05Å
192S96.6Very high87.3Confident87 Ų8791.2 Ų91.261%0.60844%0.44SS*.EExtended strand (participates in β ladder)trans-65.2135175.1-59.40000110.8
193V94Very high86.8Confident22 Ų2285.1 Ų85.113%0.13341%0.413CS..PPolyproline II helixtrans-76.9124.6168.8173.60000106.9Y143 A146 E147 M151 K152 V154 R191Y143-V193 HydrophobicContact CD1-CG2 4.49Å; A146-V193 HydrophobicContact CB-CG2 3.66Å; E147-V193 VanDerWaalsContact CA-CG1 3.42Å; E147-V193 HydrophobicContact CB-CG1 3.66Å; E147-V193 HydrophobicContact CG-CG1 4Å; M151-V193 WeakPolarHBondContact O-CB 3.41Å; K152-V193 PolarHBondContact O-N 2.93Å; V154-V193 HydrophobicContact CG2-CG2 4.43Å; R191-V193 PolarHBondContact O-N 3.05Å
194R76.6Confident86.3Confident213 Ų21385.7 Ų85.780%0.80439%0.386SS*.PPolyproline II helixtrans-67.1142.6177.7-64.9-175-177.6-151.70.9108.3K196R194-K196 PolarHBondContact O-N 3.21Å
195K59.7Low85.5Confident196 Ų19685.9 Ų85.985%0.85239%0.388SS*.PPolyproline II helixtrans-69.2129164.3-69.9-179.4-179.4172.40107K197K195-K197 PolarHBondContact O-N 3.06Å
196K54Low84.5Confident133 Ų13390.7 Ų90.758%0.57841%0.407SS*.PPolyproline II helixtrans-49.8125.9156.1-78.9-176.8-179.5167.40107.1E147 E148 R194E147-K196 WeakPolarHBondContact OE1-CG 3.33Å; E148-K196 IonicContact OE1-NZ 3.58Å; E148-K196 PolarHBondContact OE1-NZ 3.4Å; E148-K196 IonicContact OE2-NZ 3.28Å; R194-K196 PolarHBondContact O-N 3.21Å
197K43.4Very low83.2Confident279 Ų27995.2 Ų95.2100%1.21343%0.429SS*.  trans-64.30169.6-80-171.6175.5-1770109.3K195K195-K197 PolarHBondContact O-N 3.06Å

Retrieved 197 of 197 residues in 111.5 ms (Link to these results)

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