A0A087YLT4_POEFO Loading...

Axin interactor, dorsalization associated

Acts as a ventralizing factor during embryogenesis. Inhibits axin-mediated JNK activation by binding axin and disrupting axin homodimerization. This in turn antagonizes a Wnt/beta-catenin-independent dorsalization pathway activated by AXIN/JNK-signaling.

AlphaFold DB , UniProt , Accession A0A087YLT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 305 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
1M55.9Low87Confident180 Ų18075.8 Ų75.889%0.88738%0.383SS*.  0115.90-166.8-179.8-82.600106.7N5 K6M1-N5 HydrophobicContact CG-CB 3.81Å; M1-K6 HydrophobicContact CG-CG 4.49Å; M1-K6 HydrophobicContact SD-CG 4.33Å
2S77.5Confident87.8Confident62 Ų6271.5 Ų71.543%0.43436%0.36SS..  trans-64.6157.4-177.361.60000111.4V4 N5 K6S2-V4 PolarHBondContact O-N 3.11Å; S2-N5 WeakPolarHBondContact O-CB 3.45Å; S2-N5 PolarHBondContact O-N 2.82Å; S2-N5 VanDerWaalsContact O-N 3.08Å; S2-N5 PolarHBondContact OG-ND2 2.92Å; S2-K6 PolarHBondContact O-N 3.44Å
3D83.6Confident88.4Confident111 Ų11170.5 Ų70.559%0.59437%0.37SS*.Hα-helixtrans-63.4-33.6-178.4-68.9-36.5000112.2N5 K6 T7D3-N5 VanDerWaalsContact C-N 3.35Å; D3-N5 PolarHBondContact O-N 3.23Å; D3-K6 WeakPolarHBondContact O-CB 3.44Å; D3-K6 PolarHBondContact O-N 3.48Å; D3-K6 VanDerWaalsContact O-N 3.12Å; D3-K6 IonicContact OD1-NZ 2.82Å; D3-K6 PolarHBondContact OD1-NZ 2.72Å; D3-T7 PolarHBondContact O-N 2.85Å; D3-T7 PolarHBondContact O-OG1 3.06Å
4V88.1Confident88.9Confident17 Ų1766.4 Ų66.410%0.10335%0.349CS..Hα-helixtrans-57-44.6170.7-171.20000112.3S2 K6 T7 V8 D52 F53 L100S2-V4 PolarHBondContact O-N 3.11Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 2.95Å; V4-T7 WeakPolarHBondContact O-CB 3.4Å; V4-T7 PolarHBondContact O-N 3.4Å; V4-V8 WeakPolarHBondContact O-CG2 3.48Å; V4-V8 PolarHBondContact O-N 2.94Å; V4-D52 HydrophobicContact CG1-CB 4.31Å; V4-D52 HydrophobicContact CG2-CB 3.5Å; V4-D52 VanDerWaalsContact CG2-CB 3.5Å; V4-D52 WeakPolarHBondContact CG2-OD1 3.41Å; V4-F53 HydrophobicContact CG1-CE1 4Å; V4-F53 HydrophobicContact CG1-CE2 3.99Å; V4-F53 HydrophobicContact CG1-CZ 3.59Å; V4-L100 HydrophobicContact CG1-CD1 4.19Å; V4-L100 HydrophobicContact CG1-CD2 3.75Å
5N89.7Confident89.5Confident64 Ų6461.9 Ų61.934%0.34233%0.326SS..Hα-helixtrans-63.5-38.2177.6-84.4-68.9000111.7M1 S2 D3 T7 V8 Q9M1-N5 HydrophobicContact CG-CB 3.81Å; S2-N5 WeakPolarHBondContact O-CB 3.45Å; S2-N5 PolarHBondContact O-N 2.82Å; S2-N5 VanDerWaalsContact O-N 3.08Å; S2-N5 PolarHBondContact OG-ND2 2.92Å; D3-N5 VanDerWaalsContact C-N 3.35Å; D3-N5 PolarHBondContact O-N 3.23Å; N5-T7 VanDerWaalsContact C-N 3.35Å; N5-V8 PolarHBondContact O-N 3.49Å; N5-Q9 VanDerWaalsContact O-CG 3.28Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 3.08Å
6K90.6Very high89.9Confident96 Ų9664.3 Ų64.342%0.41733%0.333SS..Hα-helixtrans-65.2-40.7175.8-62.2176.2-167.2153.40111.2M1 S2 D3 V4 Q9 K10M1-K6 HydrophobicContact CG-CG 4.49Å; M1-K6 HydrophobicContact SD-CG 4.33Å; S2-K6 PolarHBondContact O-N 3.44Å; D3-K6 WeakPolarHBondContact O-CB 3.44Å; D3-K6 PolarHBondContact O-N 3.48Å; D3-K6 VanDerWaalsContact O-N 3.12Å; D3-K6 IonicContact OD1-NZ 2.82Å; D3-K6 PolarHBondContact OD1-NZ 2.72Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 2.95Å; K6-Q9 PolarHBondContact O-N 2.67Å; K6-K10 WeakPolarHBondContact O-CG 3.38Å; K6-K10 PolarHBondContact O-N 3.37Å
7T91.9Very high90.1Very high46 Ų4666.3 Ų66.328%0.28234%0.338SS..Hα-helixtrans-61.1-48176.1-61.70000111.3D3 V4 N5 Q9 K10 W11D3-T7 PolarHBondContact O-N 2.85Å; D3-T7 PolarHBondContact O-OG1 3.06Å; V4-T7 WeakPolarHBondContact O-CB 3.4Å; V4-T7 PolarHBondContact O-N 3.4Å; N5-T7 VanDerWaalsContact C-N 3.35Å; T7-Q9 VanDerWaalsContact C-N 3.33Å; T7-Q9 PolarHBondContact O-N 3.27Å; T7-K10 WeakPolarHBondContact O-CB 3.39Å; T7-K10 PolarHBondContact O-N 3.12Å; T7-K10 VanDerWaalsContact O-N 3.11Å; T7-W11 HydrophobicContact CG2-CD2 4.02Å; T7-W11 VanDerWaalsContact CG2-CE2 3.48Å; T7-W11 HydrophobicContact CG2-CE3 4.34Å; T7-W11 HydrophobicContact CG2-CH2 3.64Å; T7-W11 HydrophobicContact CG2-CZ2 3.29Å; T7-W11 HydrophobicContact CG2-CZ3 4.18Å; T7-W11 PolarHBondContact O-N 3.19Å
8V94.2Very high90.3Very high3 Ų362.6 Ų62.62%0.01832%0.32CS..Hα-helixtrans-60.3-41.4176.3173.60000111.7V4 N5 K10 W11 H12 F53 I96 I99 L100V4-V8 WeakPolarHBondContact O-CG2 3.48Å; V4-V8 PolarHBondContact O-N 2.94Å; N5-V8 PolarHBondContact O-N 3.49Å; V8-K10 VanDerWaalsContact C-N 3.34Å; V8-K10 PolarHBondContact O-N 3.08Å; V8-W11 HydrophobicContact CG2-CE3 4.27Å; V8-W11 HydrophobicContact CG2-CZ3 4.26Å; V8-W11 PolarHBondContact O-N 3.21Å; V8-H12 WeakPolarHBondContact O-CB 3.42Å; V8-H12 PolarHBondContact O-N 3.21Å; V8-F53 HydrophobicContact CG2-CE1 4.13Å; V8-F53 HydrophobicContact CG2-CZ 4.09Å; V8-I96 VanDerWaalsContact CG1-O 3.27Å; V8-I96 WeakPolarHBondContact CG1-O 3.47Å; V8-I99 HydrophobicContact CB-CG2 4.41Å; V8-I99 HydrophobicContact CG1-CG2 3.89Å; V8-I99 HydrophobicContact CG2-CG2 3.55Å; V8-L100 HydrophobicContact CG2-CG 4.38Å
9Q93.6Very high90.6Very high91 Ų9159.6 Ų59.643%0.42530%0.304SS..Hα-helixtrans-63.3-38.1175.5-71.2-60.4-35.800112.5N5 K6 T7 H12 A13N5-Q9 VanDerWaalsContact O-CG 3.28Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 3.08Å; K6-Q9 PolarHBondContact O-N 2.67Å; T7-Q9 VanDerWaalsContact C-N 3.33Å; T7-Q9 PolarHBondContact O-N 3.27Å; Q9-H12 PolarHBondContact O-N 3.25Å; Q9-A13 WeakPolarHBondContact O-CB 3.31Å; Q9-A13 PolarHBondContact O-N 3.4Å
10K94.9Very high90.6Very high152 Ų15259.3 Ų59.366%0.66130%0.304SS*.Hα-helixtrans-64-45174.4-73.1176.5-179.9-178.90111.6K6 T7 V8 A13 S14K6-K10 WeakPolarHBondContact O-CG 3.38Å; K6-K10 PolarHBondContact O-N 3.37Å; T7-K10 WeakPolarHBondContact O-CB 3.39Å; T7-K10 PolarHBondContact O-N 3.12Å; T7-K10 VanDerWaalsContact O-N 3.11Å; V8-K10 VanDerWaalsContact C-N 3.34Å; V8-K10 PolarHBondContact O-N 3.08Å; K10-A13 PolarHBondContact O-N 3.34Å; K10-S14 WeakPolarHBondContact O-CB 3.33Å; K10-S14 PolarHBondContact O-N 2.84Å
11W96.8Very high90.5Very high12 Ų1257.2 Ų57.25%0.04529%0.292CS..Hα-helixtrans-62.1-43.4175.8-66-25.1000112.2T7 V8 A13 S14 F15 L37 L41 E44 F53 L61 I96T7-W11 HydrophobicContact CG2-CD2 4.02Å; T7-W11 VanDerWaalsContact CG2-CE2 3.48Å; T7-W11 HydrophobicContact CG2-CE3 4.34Å; T7-W11 HydrophobicContact CG2-CH2 3.64Å; T7-W11 HydrophobicContact CG2-CZ2 3.29Å; T7-W11 HydrophobicContact CG2-CZ3 4.18Å; T7-W11 PolarHBondContact O-N 3.19Å; V8-W11 HydrophobicContact CG2-CE3 4.27Å; V8-W11 HydrophobicContact CG2-CZ3 4.26Å; V8-W11 PolarHBondContact O-N 3.21Å; W11-A13 PolarHBondContact O-N 3.35Å; W11-S14 PolarHBondContact O-N 2.95Å; W11-F15 WeakPolarHBondContact O-CB 3.45Å; W11-F15 PolarHBondContact O-N 3.04Å; W11-L37 HydrophobicContact CB-CD1 3.79Å; W11-L37 HydrophobicContact CG-CD1 3.88Å; W11-L41 HydrophobicContact CD2-CD2 3.47Å; W11-L41 VanDerWaalsContact CD2-CD2 3.47Å; W11-L41 HydrophobicContact CE3-CD2 3.66Å; W11-L41 HydrophobicContact CG-CD2 3.87Å; W11-L41 HydrophobicContact CH2-CD2 4.3Å; W11-L41 HydrophobicContact CZ2-CD2 4.1Å; W11-L41 HydrophobicContact CZ3-CD2 4.08Å; W11-E44 HydrophobicContact CH2-CB 4.02Å; W11-E44 HydrophobicContact CH2-CG 3.84Å; W11-E44 HydrophobicContact CZ2-CB 4.12Å; W11-E44 HydrophobicContact CZ2-CG 4.35Å; W11-F53 HydrophobicContact CH2-CE1 4.48Å; W11-F53 AromaticContact CH2-CE2 3.79Å; W11-F53 HydrophobicContact CH2-CE2 3.79Å; W11-F53 AromaticContact CH2-CZ 3.6Å; W11-F53 HydrophobicContact CH2-CZ 3.6Å; W11-F53 HydrophobicContact CZ3-CE1 4.04Å; W11-F53 HydrophobicContact CZ3-CE2 4.15Å; W11-F53 AromaticContact CZ3-CZ 3.47Å; W11-F53 HydrophobicContact CZ3-CZ 3.47Å; W11-F53 VanDerWaalsContact CZ3-CZ 3.47Å; W11-L61 HydrophobicContact CE3-CD2 4.38Å; W11-L61 HydrophobicContact CH2-CD1 4.16Å; W11-L61 HydrophobicContact CZ3-CD1 4.02Å; W11-L61 HydrophobicContact CZ3-CD2 4.05Å; W11-I96 HydrophobicContact CB-CG2 4.24Å
12H96.9Very high92.3Very high24 Ų2449.1 Ų49.111%0.11125%0.253CS..Hα-helixtrans-61.6-42.5175.4178.4-96000112.1V8 Q9 F15 K16 E93 I96V8-H12 WeakPolarHBondContact O-CB 3.42Å; V8-H12 PolarHBondContact O-N 3.21Å; Q9-H12 PolarHBondContact O-N 3.25Å; H12-F15 PolarHBondContact O-N 2.97Å; H12-K16 WeakPolarHBondContact O-CB 3.47Å; H12-K16 PolarHBondContact O-N 2.99Å; H12-E93 IonicContact CE1-OE1 2.6Å; H12-E93 WeakPolarHBondContact NE2-CG 3.47Å; H12-E93 IonicContact NE2-OE1 2.77Å; H12-I96 HydrophobicContact CB-CG2 4.05Å
13A94.9Very high92.7Very high59 Ų5948.9 Ų48.949%0.48825%0.251SS..Hα-helixtrans-64.7-42.4176.200000112.3Q9 K10 W11 K16 K17Q9-A13 WeakPolarHBondContact O-CB 3.31Å; Q9-A13 PolarHBondContact O-N 3.4Å; K10-A13 PolarHBondContact O-N 3.34Å; W11-A13 PolarHBondContact O-N 3.35Å; A13-K16 PolarHBondContact O-N 3.4Å; A13-K17 WeakPolarHBondContact O-CB 3.3Å; A13-K17 PolarHBondContact O-N 3.12Å
14S95.8Very high92.8Very high12 Ų1249.2 Ų49.28%0.08424%0.244CC..Hα-helixtrans-62.5-45.6174.7176.80000111.5K10 W11 K16 K17 G18 E33K10-S14 WeakPolarHBondContact O-CB 3.33Å; K10-S14 PolarHBondContact O-N 2.84Å; W11-S14 PolarHBondContact O-N 2.95Å; S14-K16 PolarHBondContact O-N 3.09Å; S14-K17 WeakPolarHBondContact O-CB 3.41Å; S14-K17 PolarHBondContact O-N 3.5Å; S14-G18 PolarHBondContact O-N 3.33Å; S14-E33 WeakPolarHBondContact CB-OE1 3.21Å; S14-E33 WeakPolarHBondContact O-CG 3.44Å; S14-E33 PolarHBondContact OG-OE1 2.94Å
15F97.4Very high92.4Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-56.4-50.9175.5179.6-93.2000111.5W11 H12 K17 G18 T19 L37 L68 L89 L92 E93 I96W11-F15 WeakPolarHBondContact O-CB 3.45Å; W11-F15 PolarHBondContact O-N 3.04Å; H12-F15 PolarHBondContact O-N 2.97Å; F15-K17 VanDerWaalsContact C-N 3.33Å; F15-K17 PolarHBondContact O-N 3.4Å; F15-G18 PolarHBondContact O-N 3.15Å; F15-T19 HydrophobicContact CD1-CG2 4.22Å; F15-T19 HydrophobicContact CE1-CG2 3.67Å; F15-T19 HydrophobicContact CE2-CG2 4.34Å; F15-T19 HydrophobicContact CZ-CG2 3.73Å; F15-T19 PolarHBondContact O-N 3.08Å; F15-T19 PolarHBondContact O-OG1 3.43Å; F15-L37 HydrophobicContact CB-CD2 3.67Å; F15-L37 HydrophobicContact CD2-CD2 4.15Å; F15-L37 HydrophobicContact CG-CD2 4.44Å; F15-L68 HydrophobicContact CD2-CD2 3.99Å; F15-L68 HydrophobicContact CE2-CD2 4.04Å; F15-L89 HydrophobicContact CE2-CD1 4.32Å; F15-L89 HydrophobicContact CE2-CD2 4.28Å; F15-L89 HydrophobicContact CE2-CG 3.94Å; F15-L89 HydrophobicContact CZ-CG 4.05Å; F15-L89 VanDerWaalsContact CZ-O 3.31Å; F15-L89 WeakPolarHBondContact CZ-O 3.46Å; F15-L92 HydrophobicContact CE2-CB 4.08Å; F15-L92 HydrophobicContact CZ-CB 4.03Å; F15-E93 HydrophobicContact CD1-CB 4.26Å; F15-E93 HydrophobicContact CD1-CG 4.42Å; F15-E93 HydrophobicContact CE1-CB 3.8Å; F15-E93 HydrophobicContact CE1-CG 4.38Å; F15-I96 HydrophobicContact CB-CD1 3.81Å; F15-I96 HydrophobicContact CD1-CD1 4.14Å; F15-I96 HydrophobicContact CD2-CD1 3.27Å; F15-I96 HydrophobicContact CE2-CD1 3.86Å; F15-I96 HydrophobicContact CG-CD1 3.45Å; F15-I96 VanDerWaalsContact CG-CD1 3.45Å
16K96.2Very high92.1Very high99 Ų9947.4 Ų47.443%0.4324%0.244SC..Hα-helixtrans-59.5-45.2179.2-176.5168.1-177.3161.30111.8H12 A13 S14 G18 T19 D20H12-K16 WeakPolarHBondContact O-CB 3.47Å; H12-K16 PolarHBondContact O-N 2.99Å; A13-K16 PolarHBondContact O-N 3.4Å; S14-K16 PolarHBondContact O-N 3.09Å; K16-G18 VanDerWaalsContact C-N 3.33Å; K16-G18 PolarHBondContact O-N 3.03Å; K16-T19 WeakPolarHBondContact CA-OG1 3.46Å; K16-T19 PolarHBondContact O-N 3.27Å; K16-T19 PolarHBondContact O-OG1 3.14Å; K16-D20 WeakPolarHBondContact O-CB 3.43Å; K16-D20 VanDerWaalsContact O-CG 3.29Å; K16-D20 PolarHBondContact O-N 2.93Å
17K93.2Very high91.9Very high99 Ų9945.5 Ų45.543%0.4324%0.237SC..Hα-helixtrans-57.7-44.2176-177-179.3175-136.10112A13 S14 F15 D20 F21 E33A13-K17 WeakPolarHBondContact O-CB 3.3Å; A13-K17 PolarHBondContact O-N 3.12Å; S14-K17 WeakPolarHBondContact O-CB 3.41Å; S14-K17 PolarHBondContact O-N 3.5Å; F15-K17 VanDerWaalsContact C-N 3.33Å; F15-K17 PolarHBondContact O-N 3.4Å; K17-D20 PolarHBondContact O-N 3.2Å; K17-F21 HydrophobicContact CD-CE2 4.17Å; K17-F21 HydrophobicContact CG-CD2 4.15Å; K17-F21 HydrophobicContact CG-CE2 3.59Å; K17-F21 HydrophobicContact CG-CZ 4.05Å; K17-F21 VanDerWaalsContact O-CD2 3.26Å; K17-F21 WeakPolarHBondContact O-CD2 3.28Å; K17-F21 WeakPolarHBondContact O-CG 3.27Å; K17-F21 PolarHBondContact O-N 2.89Å; K17-E33 HydrophobicContact CB-CG 4.44Å; K17-E33 WeakPolarHBondContact CE-OE2 3.45Å; K17-E33 HydrophobicContact CG-CG 4.47Å; K17-E33 IonicContact NZ-OE2 2.72Å; K17-E33 PolarHBondContact NZ-OE2 2.96Å
18G95.1Very high91.5Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-61.1-46.4174.500000112.4S14 F15 K16 D20 F21 D22 Y34S14-G18 PolarHBondContact O-N 3.33Å; F15-G18 PolarHBondContact O-N 3.15Å; K16-G18 VanDerWaalsContact C-N 3.33Å; K16-G18 PolarHBondContact O-N 3.03Å; G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.36Å; G18-F21 PolarHBondContact O-N 3.07Å; G18-D22 WeakPolarHBondContact O-CB 3.43Å; G18-D22 PolarHBondContact O-N 3.25Å; G18-Y34 VanDerWaalsContact C-CE1 3.47Å; G18-Y34 PolarHBondContact O-OH 2.86Å
19T95.4Very high91.2Very high5 Ų544.5 Ų44.53%0.03123%0.231CC..Hα-helixtrans-67.9-30178.857.70000113.8F15 K16 S23 Y34 L86 L89 K90F15-T19 HydrophobicContact CD1-CG2 4.22Å; F15-T19 HydrophobicContact CE1-CG2 3.67Å; F15-T19 HydrophobicContact CE2-CG2 4.34Å; F15-T19 HydrophobicContact CZ-CG2 3.73Å; F15-T19 PolarHBondContact O-N 3.08Å; F15-T19 PolarHBondContact O-OG1 3.43Å; K16-T19 WeakPolarHBondContact CA-OG1 3.46Å; K16-T19 PolarHBondContact O-N 3.27Å; K16-T19 PolarHBondContact O-OG1 3.14Å; T19-S23 WeakPolarHBondContact O-CB 3.3Å; T19-S23 PolarHBondContact O-N 2.9Å; T19-S23 PolarHBondContact O-OG 3.3Å; T19-Y34 WeakPolarHBondContact CA-OH 3.29Å; T19-Y34 HydrophobicContact CG2-CE1 4.24Å; T19-L86 HydrophobicContact CG2-CD1 4.24Å; T19-L89 HydrophobicContact CG2-CD2 4.24Å; T19-K90 HydrophobicContact CG2-CG 4.34Å
20D89.8Confident91.1Very high54 Ų5440.2 Ų40.229%0.28921%0.21SC..Hα-helixtrans-67.3-48.8174.2-77.5-15.8000109.6K16 K17 G18 D22 S23 W24K16-D20 WeakPolarHBondContact O-CB 3.43Å; K16-D20 VanDerWaalsContact O-CG 3.29Å; K16-D20 PolarHBondContact O-N 2.93Å; K17-D20 PolarHBondContact O-N 3.2Å; G18-D20 VanDerWaalsContact C-N 3.31Å; G18-D20 PolarHBondContact O-N 3.36Å; D20-D22 VanDerWaalsContact C-N 3.35Å; D20-D22 PolarHBondContact O-N 3.41Å; D20-S23 PolarHBondContact O-N 2.98Å; D20-W24 HydrophobicContact CB-CD2 4.43Å; D20-W24 HydrophobicContact CB-CE3 4.45Å; D20-W24 HydrophobicContact CB-CH2 3.71Å; D20-W24 HydrophobicContact CB-CZ2 3.69Å; D20-W24 HydrophobicContact CB-CZ3 4.1Å; D20-W24 WeakPolarHBondContact O-CB 3.44Å; D20-W24 PolarHBondContact O-N 2.92Å
21F90Very high91Very high16 Ų1633.2 Ų33.27%0.0718%0.18CC..Hα-helixtrans-57.7-44.8174.1-70.2-39.8000113K17 G18 S23 W24 G25 Q26 E29 A30 P277K17-F21 HydrophobicContact CD-CE2 4.17Å; K17-F21 HydrophobicContact CG-CD2 4.15Å; K17-F21 HydrophobicContact CG-CE2 3.59Å; K17-F21 HydrophobicContact CG-CZ 4.05Å; K17-F21 VanDerWaalsContact O-CD2 3.26Å; K17-F21 WeakPolarHBondContact O-CD2 3.28Å; K17-F21 WeakPolarHBondContact O-CG 3.27Å; K17-F21 PolarHBondContact O-N 2.89Å; G18-F21 PolarHBondContact O-N 3.07Å; F21-S23 VanDerWaalsContact C-N 3.35Å; F21-S23 PolarHBondContact O-N 2.94Å; F21-W24 AromaticContact CD1-CE3 3.83Å; F21-W24 HydrophobicContact CD1-CE3 3.83Å; F21-W24 AromaticContact CD1-CZ3 3.9Å; F21-W24 HydrophobicContact CD1-CZ3 3.9Å; F21-W24 HydrophobicContact CE1-CE3 4.35Å; F21-W24 HydrophobicContact CE1-CZ3 4.03Å; F21-W24 CarbonylContact O-C 3.59Å; F21-W24 PolarHBondContact O-N 2.77Å; F21-W24 VanDerWaalsContact O-N 3.16Å; F21-G25 PolarHBondContact O-N 3.24Å; F21-G25 VanDerWaalsContact O-N 3.13Å; F21-Q26 HydrophobicContact CB-CB 3.97Å; F21-Q26 HydrophobicContact CD1-CB 4.07Å; F21-Q26 HydrophobicContact CD1-CG 4.41Å; F21-Q26 HydrophobicContact CG-CB 4.34Å; F21-Q26 WeakPolarHBondContact O-CA 3.16Å; F21-Q26 PolarHBondContact O-N 2.75Å; F21-E29 HydrophobicContact CB-CB 4.15Å; F21-E29 HydrophobicContact CD1-CB 4.06Å; F21-E29 HydrophobicContact CD2-CB 3.55Å; F21-E29 HydrophobicContact CE1-CB 4.35Å; F21-E29 HydrophobicContact CE2-CB 3.82Å; F21-E29 HydrophobicContact CG-CB 3.68Å; F21-E29 HydrophobicContact CZ-CB 4.23Å; F21-A30 HydrophobicContact CB-CB 3.89Å; F21-P277 HydrophobicContact CD1-CB 4.36Å; F21-P277 HydrophobicContact CE1-CB 3.66Å; F21-P277 HydrophobicContact CE1-CG 3.69Å; F21-P277 HydrophobicContact CZ-CB 4.32Å; F21-P277 HydrophobicContact CZ-CG 4.02Å
22D92.2Very high90.6Very high10 Ų1035.1 Ų35.15%0.05319%0.191CC..Hα-helixtrans-59.5-47.8177.2-163.5-27.8000110.4G18 D20 W24 G25 A30 Y34 R71 L86G18-D22 WeakPolarHBondContact O-CB 3.43Å; G18-D22 PolarHBondContact O-N 3.25Å; D20-D22 VanDerWaalsContact C-N 3.35Å; D20-D22 PolarHBondContact O-N 3.41Å; D22-W24 VanDerWaalsContact C-N 3.25Å; D22-W24 PolarHBondContact O-N 3.46Å; D22-G25 PolarHBondContact O-N 2.98Å; D22-A30 HydrophobicContact CB-CB 3.84Å; D22-Y34 HydrophobicContact CB-CE2 4.38Å; D22-Y34 VanDerWaalsContact CB-OH 3.23Å; D22-Y34 WeakPolarHBondContact CB-OH 3.45Å; D22-Y34 WeakPolarHBondContact OD2-CE2 3.38Å; D22-Y34 PolarHBondContact OD2-OH 3.47Å; D22-R71 IonicContact OD1-CZ 3.89Å; D22-R71 IonicContact OD1-NE 3.16Å; D22-R71 IonicContact OD1-NH2 3.67Å; D22-R71 PolarHBondContact OD1-NH2 3.45Å; D22-R71 IonicContact OD2-CZ 3Å; D22-R71 IonicContact OD2-NE 3.98Å; D22-R71 PolarHBondContact OD2-NE 2.78Å; D22-R71 IonicContact OD2-NH2 2.76Å; D22-R71 PolarHBondContact OD2-NH2 2.94Å; D22-L86 HydrophobicContact CB-CD1 4Å; D22-L86 HydrophobicContact CB-CD2 4.2Å
23S87.5Confident90.5Very high56 Ų5635.1 Ų35.139%0.39219%0.191SC..Hα-helixtrans-62.8-31177.2-54.90000112.8T19 D20 F21 G25 K90T19-S23 WeakPolarHBondContact O-CB 3.3Å; T19-S23 PolarHBondContact O-N 2.9Å; T19-S23 PolarHBondContact O-OG 3.3Å; D20-S23 PolarHBondContact O-N 2.98Å; F21-S23 VanDerWaalsContact C-N 3.35Å; F21-S23 PolarHBondContact O-N 2.94Å; S23-G25 VanDerWaalsContact C-N 3.31Å; S23-K90 PolarHBondContact OG-NZ 3.03Å
24W84.1Confident90.5Very high118 Ų11832.3 Ų32.345%0.44717%0.168SC..THydrogen-bonded Turntrans-85.6-0.7178.1-58.6-23000113.5D20 F21 D22 Q26 F280D20-W24 HydrophobicContact CB-CD2 4.43Å; D20-W24 HydrophobicContact CB-CE3 4.45Å; D20-W24 HydrophobicContact CB-CH2 3.71Å; D20-W24 HydrophobicContact CB-CZ2 3.69Å; D20-W24 HydrophobicContact CB-CZ3 4.1Å; D20-W24 WeakPolarHBondContact O-CB 3.44Å; D20-W24 PolarHBondContact O-N 2.92Å; F21-W24 AromaticContact CD1-CE3 3.83Å; F21-W24 HydrophobicContact CD1-CE3 3.83Å; F21-W24 AromaticContact CD1-CZ3 3.9Å; F21-W24 HydrophobicContact CD1-CZ3 3.9Å; F21-W24 HydrophobicContact CE1-CE3 4.35Å; F21-W24 HydrophobicContact CE1-CZ3 4.03Å; F21-W24 CarbonylContact O-C 3.59Å; F21-W24 PolarHBondContact O-N 2.77Å; F21-W24 VanDerWaalsContact O-N 3.16Å; D22-W24 VanDerWaalsContact C-N 3.25Å; D22-W24 PolarHBondContact O-N 3.46Å; W24-Q26 VanDerWaalsContact C-N 3.26Å; W24-Q26 HydrophobicContact CB-CG 4.28Å; W24-Q26 PolarHBondContact O-N 3.32Å; W24-F280 HydrophobicContact CB-CE2 4.28Å
25G81.3Confident90.4Very high42 Ų4234.1 Ų34.143%0.43318%0.175SC..THydrogen-bonded Turntrans74.612.3-175.600000114.4F21 D22 S23 L27F21-G25 PolarHBondContact O-N 3.24Å; F21-G25 VanDerWaalsContact O-N 3.13Å; D22-G25 PolarHBondContact O-N 2.98Å; S23-G25 VanDerWaalsContact C-N 3.31Å; G25-L27 PolarHBondContact O-N 3.11Å
26Q81.6Confident90.2Very high2 Ų237.6 Ų37.61%0.00919%0.193CC..  trans-8265.1173-60.7-63.1-16.800109.6F21 W24 V28 E29 A30 E240 T278F21-Q26 HydrophobicContact CB-CB 3.97Å; F21-Q26 HydrophobicContact CD1-CB 4.07Å; F21-Q26 HydrophobicContact CD1-CG 4.41Å; F21-Q26 HydrophobicContact CG-CB 4.34Å; F21-Q26 WeakPolarHBondContact O-CA 3.16Å; F21-Q26 PolarHBondContact O-N 2.75Å; W24-Q26 VanDerWaalsContact C-N 3.26Å; W24-Q26 HydrophobicContact CB-CG 4.28Å; W24-Q26 PolarHBondContact O-N 3.32Å; Q26-V28 VanDerWaalsContact C-N 3.31Å; Q26-V28 PolarHBondContact O-N 3.38Å; Q26-E29 HydrophobicContact CB-CB 4.22Å; Q26-E29 PolarHBondContact O-N 3Å; Q26-A30 WeakPolarHBondContact O-CB 3.27Å; Q26-A30 PolarHBondContact O-N 3.47Å; Q26-E240 PolarHBondContact NE2-OE1 3.46Å; Q26-T278 VanDerWaalsContact NE2-CB 3.26Å; Q26-T278 PolarHBondContact NE2-OG1 3.37Å
27L87.5Confident90.2Very high55 Ų5532.9 Ų32.929%0.28817%0.173SC..Hα-helixtrans-63.7-34.6-166.1-54.9-172.6000112.9G25 A30 I31 L75 F250G25-L27 PolarHBondContact O-N 3.11Å; L27-A30 PolarHBondContact O-N 3.01Å; L27-I31 WeakPolarHBondContact O-CB 3.37Å; L27-I31 VanDerWaalsContact O-CD1 3.28Å; L27-I31 WeakPolarHBondContact O-CD1 3.41Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 2.61Å; L27-L75 HydrophobicContact CD2-CD2 3.93Å; L27-F250 HydrophobicContact CB-CE1 3.91Å; L27-F250 HydrophobicContact CB-CZ 3.71Å; L27-F250 HydrophobicContact CD1-CZ 4.02Å; L27-F250 HydrophobicContact CG-CZ 4.49Å
28V84Confident90.3Very high13 Ų1328.3 Ų28.38%0.07915%0.153CC..Hα-helixtrans-64.3-49.6176.7176.10000110.8Q26 A30 I31 D32 F250 T251Q26-V28 VanDerWaalsContact C-N 3.31Å; Q26-V28 PolarHBondContact O-N 3.38Å; V28-A30 VanDerWaalsContact C-N 3.28Å; V28-A30 PolarHBondContact O-N 2.72Å; V28-I31 PolarHBondContact O-N 3.29Å; V28-D32 WeakPolarHBondContact O-CB 3.09Å; V28-D32 PolarHBondContact O-N 3.22Å; V28-F250 HydrophobicContact CG2-CD1 3.17Å; V28-F250 HydrophobicContact CG2-CE1 3.53Å; V28-F250 HydrophobicContact CG2-CG 4.25Å; V28-T251 WeakPolarHBondContact CG2-O 3.27Å
29E88.1Confident90.2Very high16 Ų1633.2 Ų33.28%0.07517%0.171CC..Hα-helixtrans-64.1-37179.9-69.369.8-158.100111.1F21 Q26 E33 K276 P277F21-E29 HydrophobicContact CB-CB 4.15Å; F21-E29 HydrophobicContact CD1-CB 4.06Å; F21-E29 HydrophobicContact CD2-CB 3.55Å; F21-E29 HydrophobicContact CE1-CB 4.35Å; F21-E29 HydrophobicContact CE2-CB 3.82Å; F21-E29 HydrophobicContact CG-CB 3.68Å; F21-E29 HydrophobicContact CZ-CB 4.23Å; Q26-E29 HydrophobicContact CB-CB 4.22Å; Q26-E29 PolarHBondContact O-N 3Å; E29-E33 VanDerWaalsContact O-CB 3.3Å; E29-E33 WeakPolarHBondContact O-CB 3.35Å; E29-E33 PolarHBondContact O-N 2.9Å; E29-K276 WeakPolarHBondContact OE1-CD 3.27Å; E29-K276 IonicContact OE1-NZ 3.99Å; E29-K276 PolarHBondContact OE1-NZ 2.89Å; E29-P277 HydrophobicContact CG-CB 4.34Å
30A91.5Very high90Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-61.7-51.5172.300000111.6F21 D22 Q26 L27 V28 D32 E33 Y34 L75F21-A30 HydrophobicContact CB-CB 3.89Å; D22-A30 HydrophobicContact CB-CB 3.84Å; Q26-A30 WeakPolarHBondContact O-CB 3.27Å; Q26-A30 PolarHBondContact O-N 3.47Å; L27-A30 PolarHBondContact O-N 3.01Å; V28-A30 VanDerWaalsContact C-N 3.28Å; V28-A30 PolarHBondContact O-N 2.72Å; A30-D32 PolarHBondContact O-N 3.34Å; A30-E33 PolarHBondContact O-N 2.6Å; A30-Y34 HydrophobicContact CB-CD2 4.47Å; A30-Y34 HydrophobicContact CB-CE2 4.01Å; A30-Y34 WeakPolarHBondContact O-CB 3.47Å; A30-Y34 WeakPolarHBondContact O-CD2 3.18Å; A30-Y34 PolarHBondContact O-N 3.4Å; A30-L75 HydrophobicContact CB-CD1 3.99Å
31I91.1Very high90.2Very high6 Ų634.4 Ų34.43%0.03118%0.175CC..Hα-helixtrans-58.1-49.3178.2-70.4159000110.9L27 V28 E33 Y34 Q35 L75 Q76 F250L27-I31 WeakPolarHBondContact O-CB 3.37Å; L27-I31 VanDerWaalsContact O-CD1 3.28Å; L27-I31 WeakPolarHBondContact O-CD1 3.41Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 2.61Å; V28-I31 PolarHBondContact O-N 3.29Å; I31-E33 VanDerWaalsContact C-N 3.34Å; I31-E33 PolarHBondContact O-N 3.38Å; I31-Y34 PolarHBondContact O-N 2.85Å; I31-Q35 HydrophobicContact CG2-CG 4.31Å; I31-Q35 WeakPolarHBondContact O-CB 3.23Å; I31-Q35 VanDerWaalsContact O-CG 3.28Å; I31-Q35 WeakPolarHBondContact O-CG 3.22Å; I31-Q35 PolarHBondContact O-N 3.32Å; I31-L75 HydrophobicContact CD1-CB 3.72Å; I31-L75 HydrophobicContact CG1-CB 3.65Å; I31-L75 HydrophobicContact CG1-CD1 3.88Å; I31-L75 HydrophobicContact CG1-CG 4.43Å; I31-Q76 HydrophobicContact CD1-CG 3.62Å; I31-Q76 HydrophobicContact CG1-CG 4.38Å; I31-Q76 HydrophobicContact CG2-CG 4.49Å; I31-F250 HydrophobicContact CD1-CD2 4.48Å; I31-F250 HydrophobicContact CD1-CE2 4.32Å; I31-F250 HydrophobicContact CD1-CZ 4.39Å
32D89.4Confident90.3Very high52 Ų5233.9 Ų33.928%0.27817%0.173SC..Hα-helixtrans-60.1-46.1-178.8-78.1-20.6000110.4V28 A30 Q35 I36V28-D32 WeakPolarHBondContact O-CB 3.09Å; V28-D32 PolarHBondContact O-N 3.22Å; A30-D32 PolarHBondContact O-N 3.34Å; D32-Q35 PolarHBondContact O-N 2.81Å; D32-I36 WeakPolarHBondContact O-CB 3.43Å; D32-I36 WeakPolarHBondContact O-CD1 3.45Å; D32-I36 WeakPolarHBondContact O-CG1 3.39Å; D32-I36 PolarHBondContact O-N 2.92Å
33E94.8Very high90.2Very high23 Ų2341.3 Ų41.311%0.10721%0.205CC..Hα-helixtrans-65.1-43.5178.7-165.372.2-147.900111.9S14 K17 E29 A30 I31 Q35 I36 L37S14-E33 WeakPolarHBondContact CB-OE1 3.21Å; S14-E33 WeakPolarHBondContact O-CG 3.44Å; S14-E33 PolarHBondContact OG-OE1 2.94Å; K17-E33 HydrophobicContact CB-CG 4.44Å; K17-E33 WeakPolarHBondContact CE-OE2 3.45Å; K17-E33 HydrophobicContact CG-CG 4.47Å; K17-E33 IonicContact NZ-OE2 2.72Å; K17-E33 PolarHBondContact NZ-OE2 2.96Å; E29-E33 VanDerWaalsContact O-CB 3.3Å; E29-E33 WeakPolarHBondContact O-CB 3.35Å; E29-E33 PolarHBondContact O-N 2.9Å; A30-E33 PolarHBondContact O-N 2.6Å; I31-E33 VanDerWaalsContact C-N 3.34Å; I31-E33 PolarHBondContact O-N 3.38Å; E33-Q35 PolarHBondContact O-N 2.94Å; E33-I36 PolarHBondContact O-N 3.49Å; E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 PolarHBondContact O-N 3.48Å
34Y95.8Very high90.3Very high1 Ų140.3 Ų40.30%0.00419%0.194CC..Hα-helixtrans-62-42.3176.1-65.9-29.6000112.2G18 T19 D22 A30 I31 L37 A38 L68 R71 S72 L75 L89G18-Y34 VanDerWaalsContact C-CE1 3.47Å; G18-Y34 PolarHBondContact O-OH 2.86Å; T19-Y34 WeakPolarHBondContact CA-OH 3.29Å; T19-Y34 HydrophobicContact CG2-CE1 4.24Å; D22-Y34 HydrophobicContact CB-CE2 4.38Å; D22-Y34 VanDerWaalsContact CB-OH 3.23Å; D22-Y34 WeakPolarHBondContact CB-OH 3.45Å; D22-Y34 WeakPolarHBondContact OD2-CE2 3.38Å; D22-Y34 PolarHBondContact OD2-OH 3.47Å; A30-Y34 HydrophobicContact CB-CD2 4.47Å; A30-Y34 HydrophobicContact CB-CE2 4.01Å; A30-Y34 WeakPolarHBondContact O-CB 3.47Å; A30-Y34 WeakPolarHBondContact O-CD2 3.18Å; A30-Y34 PolarHBondContact O-N 3.4Å; I31-Y34 PolarHBondContact O-N 2.85Å; Y34-L37 PolarHBondContact O-N 3.36Å; Y34-A38 VanDerWaalsContact O-CB 3.25Å; Y34-A38 WeakPolarHBondContact O-CB 3.35Å; Y34-A38 PolarHBondContact O-N 3.47Å; Y34-L68 HydrophobicContact CD1-CD2 3.56Å; Y34-L68 HydrophobicContact CE1-CD2 4.22Å; Y34-L68 HydrophobicContact CG-CD2 4.04Å; Y34-R71 HydrophobicContact CD2-CB 4.5Å; Y34-R71 HydrophobicContact CD2-CG 4.14Å; Y34-R71 HydrophobicContact CE2-CB 4.42Å; Y34-R71 HydrophobicContact CE2-CG 3.65Å; Y34-S72 VanDerWaalsContact CB-OG 3.32Å; Y34-S72 WeakPolarHBondContact CB-OG 3.41Å; Y34-L75 HydrophobicContact CD2-CD1 4.31Å; Y34-L75 HydrophobicContact CE2-CD1 3.9Å; Y34-L89 HydrophobicContact CD1-CD2 4.32Å; Y34-L89 HydrophobicContact CE1-CD2 3.6Å; Y34-L89 HydrophobicContact CE2-CD2 4.03Å; Y34-L89 VanDerWaalsContact CZ-CD2 3.42Å; Y34-L89 WeakPolarHBondContact OH-CD2 3.41Å
35Q93.2Very high90.6Very high49 Ų4936.5 Ų36.523%0.22918%0.183CC..Hα-helixtrans-67.2-41.4177.2-73.5-177.26.800112.3I31 D32 E33 A38 R39I31-Q35 HydrophobicContact CG2-CG 4.31Å; I31-Q35 WeakPolarHBondContact O-CB 3.23Å; I31-Q35 VanDerWaalsContact O-CG 3.28Å; I31-Q35 WeakPolarHBondContact O-CG 3.22Å; I31-Q35 PolarHBondContact O-N 3.32Å; D32-Q35 PolarHBondContact O-N 2.81Å; E33-Q35 PolarHBondContact O-N 2.94Å; Q35-A38 PolarHBondContact O-N 3.13Å; Q35-R39 VanDerWaalsContact O-CG 3.3Å; Q35-R39 WeakPolarHBondContact O-CG 3.12Å; Q35-R39 PolarHBondContact O-N 3.43Å; Q35-R39 VanDerWaalsContact OE1-NH2 3.16Å
36I92.6Very high90.7Very high73 Ų7339 Ų3937%0.37418%0.184SC..Hα-helixtrans-60.3-49.5175.5-71.4164000109.7D32 E33 R39 Q40D32-I36 WeakPolarHBondContact O-CB 3.43Å; D32-I36 WeakPolarHBondContact O-CD1 3.45Å; D32-I36 WeakPolarHBondContact O-CG1 3.39Å; D32-I36 PolarHBondContact O-N 2.92Å; E33-I36 PolarHBondContact O-N 3.49Å; I36-R39 PolarHBondContact O-N 3.34Å; I36-Q40 WeakPolarHBondContact O-CG 3.26Å; I36-Q40 PolarHBondContact O-N 3.04Å
37L96.4Very high90.8Very high1 Ų140.3 Ų40.31%0.00519%0.194CC..Hα-helixtrans-62.2-46.9178.8-179.558.3000111.5W11 F15 E33 Y34 R39 Q40 L41 L68W11-L37 HydrophobicContact CB-CD1 3.79Å; W11-L37 HydrophobicContact CG-CD1 3.88Å; F15-L37 HydrophobicContact CB-CD2 3.67Å; F15-L37 HydrophobicContact CD2-CD2 4.15Å; F15-L37 HydrophobicContact CG-CD2 4.44Å; E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 PolarHBondContact O-N 3.48Å; Y34-L37 PolarHBondContact O-N 3.36Å; L37-R39 VanDerWaalsContact C-N 3.3Å; L37-R39 PolarHBondContact O-N 3.26Å; L37-Q40 WeakPolarHBondContact O-CB 3.14Å; L37-Q40 PolarHBondContact O-N 3.32Å; L37-Q40 VanDerWaalsContact O-N 3.09Å; L37-L41 HydrophobicContact CD1-CD1 4.49Å; L37-L41 HydrophobicContact CD1-CD2 4.22Å; L37-L41 HydrophobicContact CD1-CG 4.12Å; L37-L41 HydrophobicContact CG-CD1 4.34Å; L37-L41 HydrophobicContact CG-CG 4.34Å; L37-L41 WeakPolarHBondContact O-CG 3.22Å; L37-L41 PolarHBondContact O-N 2.86Å; L37-L68 HydrophobicContact CB-CD1 4.1Å; L37-L68 HydrophobicContact CD2-CD1 3.72Å; L37-L68 HydrophobicContact CD2-CD2 4.48Å; L37-L68 HydrophobicContact CG-CD1 3.71Å
38A95.1Very high89.9Confident2 Ų243.9 Ų43.92%0.01722%0.217CC..Hα-helixtrans-55.7-44.2177.700000111.8Y34 Q35 L41 Q42 A65 L68 E69Y34-A38 VanDerWaalsContact O-CB 3.25Å; Y34-A38 WeakPolarHBondContact O-CB 3.35Å; Y34-A38 PolarHBondContact O-N 3.47Å; Q35-A38 PolarHBondContact O-N 3.13Å; A38-L41 PolarHBondContact O-N 3.14Å; A38-Q42 WeakPolarHBondContact O-CB 3.35Å; A38-Q42 VanDerWaalsContact O-CG 3.23Å; A38-Q42 WeakPolarHBondContact O-CG 3.31Å; A38-Q42 PolarHBondContact O-N 3.02Å; A38-A65 HydrophobicContact CB-CB 4.22Å; A38-L68 HydrophobicContact CB-CB 4.08Å; A38-L68 HydrophobicContact CB-CD1 4.31Å; A38-E69 HydrophobicContact CB-CG 4.23Å
39R91.9Very high88.9Confident103 Ų10350.7 Ų50.739%0.38925%0.253SS..Hα-helixtrans-62.9-41.9175.8-71.1178.1-1611217.7112.5Q35 I36 L37 Q42 K43 I118Q35-R39 VanDerWaalsContact O-CG 3.3Å; Q35-R39 WeakPolarHBondContact O-CG 3.12Å; Q35-R39 PolarHBondContact O-N 3.43Å; Q35-R39 VanDerWaalsContact OE1-NH2 3.16Å; I36-R39 PolarHBondContact O-N 3.34Å; L37-R39 VanDerWaalsContact C-N 3.3Å; L37-R39 PolarHBondContact O-N 3.26Å; R39-Q42 PolarHBondContact O-N 3.22Å; R39-K43 WeakPolarHBondContact O-CB 3.29Å; R39-K43 PolarHBondContact O-N 3.32Å; R39-I118 HydrophobicContact CG-CD1 4.27Å
40Q93Very high87.8Confident84 Ų8451 Ų5139%0.39326%0.258SS..Hα-helixtrans-62.3-45.1176.8-70.91754.100111.5I36 L37 K43 E44I36-Q40 WeakPolarHBondContact O-CG 3.26Å; I36-Q40 PolarHBondContact O-N 3.04Å; L37-Q40 WeakPolarHBondContact O-CB 3.14Å; L37-Q40 PolarHBondContact O-N 3.32Å; L37-Q40 VanDerWaalsContact O-N 3.09Å; Q40-K43 PolarHBondContact O-N 3.49Å; Q40-E44 PolarHBondContact O-N 3.47Å; Q40-E44 VanDerWaalsContact O-N 3.12Å
41L93.8Very high86.8Confident1 Ų156.7 Ų56.71%0.00530%0.298CS..Hα-helixtrans-63-45.2177.2-63.3-172.6000111.2W11 L37 A38 K43 E44 V45 L61 I64 A65 L68W11-L41 HydrophobicContact CD2-CD2 3.47Å; W11-L41 VanDerWaalsContact CD2-CD2 3.47Å; W11-L41 HydrophobicContact CE3-CD2 3.66Å; W11-L41 HydrophobicContact CG-CD2 3.87Å; W11-L41 HydrophobicContact CH2-CD2 4.3Å; W11-L41 HydrophobicContact CZ2-CD2 4.1Å; W11-L41 HydrophobicContact CZ3-CD2 4.08Å; L37-L41 HydrophobicContact CD1-CD1 4.49Å; L37-L41 HydrophobicContact CD1-CD2 4.22Å; L37-L41 HydrophobicContact CD1-CG 4.12Å; L37-L41 HydrophobicContact CG-CD1 4.34Å; L37-L41 HydrophobicContact CG-CG 4.34Å; L37-L41 WeakPolarHBondContact O-CG 3.22Å; L37-L41 PolarHBondContact O-N 2.86Å; A38-L41 PolarHBondContact O-N 3.14Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.15Å; L41-E44 WeakPolarHBondContact O-CB 3.48Å; L41-E44 PolarHBondContact O-N 2.96Å; L41-E44 VanDerWaalsContact O-N 3.14Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.32Å; L41-L61 HydrophobicContact CD2-CD2 3.95Å; L41-I64 HydrophobicContact CD1-CB 3.92Å; L41-I64 HydrophobicContact CD1-CG2 3.45Å; L41-I64 VanDerWaalsContact CD1-CG2 3.45Å; L41-A65 HydrophobicContact CB-CB 4.17Å; L41-L68 HydrophobicContact CD1-CD1 4.19Å
42Q91.4Very high86.4Confident5 Ų560.2 Ų60.22%0.02332%0.316CS..Hα-helixtrans-62.4-37.2177.4-72.2-69.8-7.800112.7A38 R39 E44 V45 Q46 A65 V113 L115A38-Q42 WeakPolarHBondContact O-CB 3.35Å; A38-Q42 VanDerWaalsContact O-CG 3.23Å; A38-Q42 WeakPolarHBondContact O-CG 3.31Å; A38-Q42 PolarHBondContact O-N 3.02Å; R39-Q42 PolarHBondContact O-N 3.22Å; Q42-E44 VanDerWaalsContact C-N 3.32Å; Q42-E44 PolarHBondContact O-N 3.41Å; Q42-V45 PolarHBondContact O-N 3.48Å; Q42-Q46 WeakPolarHBondContact O-CG 3.43Å; Q42-Q46 PolarHBondContact O-N 3.22Å; Q42-A65 HydrophobicContact CG-CB 3.81Å; Q42-V113 PolarHBondContact NE2-O 2.92Å; Q42-V113 PolarHBondContact OE1-O 2.91Å; Q42-L115 HydrophobicContact CB-CD2 4.07Å
43K89.8Confident86.3Confident165 Ų16558.3 Ų58.372%0.71731%0.305SS*.Hα-helixtrans-62.6-40.2174.2-172.7176.3-179.3176.40111.4R39 Q40 L41 Q46 S47R39-K43 WeakPolarHBondContact O-CB 3.29Å; R39-K43 PolarHBondContact O-N 3.32Å; Q40-K43 PolarHBondContact O-N 3.49Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.15Å; K43-Q46 PolarHBondContact O-N 3.36Å; K43-S47 PolarHBondContact O-N 3.27Å
44E90.3Very high86.2Confident35 Ų3560.7 Ų60.716%0.16432%0.322CS..Hα-helixtrans-66.2-45.2175.3-169.767-143.600111.8W11 Q40 L41 Q42 Q46 S47 S50 F53 L61W11-E44 HydrophobicContact CH2-CB 4.02Å; W11-E44 HydrophobicContact CH2-CG 3.84Å; W11-E44 HydrophobicContact CZ2-CB 4.12Å; W11-E44 HydrophobicContact CZ2-CG 4.35Å; Q40-E44 PolarHBondContact O-N 3.47Å; Q40-E44 VanDerWaalsContact O-N 3.12Å; L41-E44 WeakPolarHBondContact O-CB 3.48Å; L41-E44 PolarHBondContact O-N 2.96Å; L41-E44 VanDerWaalsContact O-N 3.14Å; Q42-E44 VanDerWaalsContact C-N 3.32Å; Q42-E44 PolarHBondContact O-N 3.41Å; E44-Q46 PolarHBondContact O-N 2.89Å; E44-Q46 VanDerWaalsContact O-N 3.15Å; E44-S47 WeakPolarHBondContact O-CB 3.36Å; E44-S47 PolarHBondContact O-N 3.27Å; E44-S47 PolarHBondContact O-OG 3.02Å; E44-S47 PolarHBondContact OE1-OG 3.29Å; E44-S50 WeakPolarHBondContact OE1-CB 3.34Å; E44-S50 PolarHBondContact OE1-OG 3.27Å; E44-F53 HydrophobicContact CG-CD2 3.6Å; E44-F53 HydrophobicContact CG-CE2 3.71Å; E44-F53 HydrophobicContact CG-CG 4.49Å; E44-F53 WeakPolarHBondContact OE1-CD2 3.28Å; E44-L61 HydrophobicContact CB-CD1 4.39Å; E44-L61 HydrophobicContact CG-CD1 4.11Å
45V89.4Confident85.8Confident38 Ų3867.4 Ų67.423%0.2335%0.353CS..Hα-helixtrans-55.2-35.2179.3171.20000111.8L41 Q42 K58 L61L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.32Å; Q42-V45 PolarHBondContact O-N 3.48Å; V45-K58 HydrophobicContact CG2-CB 4.43Å; V45-K58 VanDerWaalsContact CG2-O 3.22Å; V45-K58 WeakPolarHBondContact CG2-O 3.33Å; V45-L61 HydrophobicContact CG2-CB 3.73Å
46Q84.8Confident85.7Confident94 Ų9470.7 Ų70.744%0.43937%0.368SS..THydrogen-bonded Turntrans-93.9-4.1-178-64.7-179.421.900114.2Q42 K43 E44 T48Q42-Q46 WeakPolarHBondContact O-CG 3.43Å; Q42-Q46 PolarHBondContact O-N 3.22Å; K43-Q46 PolarHBondContact O-N 3.36Å; E44-Q46 PolarHBondContact O-N 2.89Å; E44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-T48 PolarHBondContact O-N 3.26Å; Q46-T48 VanDerWaalsContact O-N 3.08Å
47S83.3Confident85.6Confident31 Ų3168.4 Ų68.422%0.21736%0.356CS..  trans-66.8113.2176.671.80000109.2K43 E44 N49 S50 K58K43-S47 PolarHBondContact O-N 3.27Å; E44-S47 WeakPolarHBondContact O-CB 3.36Å; E44-S47 PolarHBondContact O-N 3.27Å; E44-S47 PolarHBondContact O-OG 3.02Å; E44-S47 PolarHBondContact OE1-OG 3.29Å; S47-N49 VanDerWaalsContact C-N 3.28Å; S47-S50 PolarHBondContact OG-OG 3.03Å; S47-K58 PolarHBondContact O-NZ 3.44Å
48T69.1Low85.4Confident129 Ų12969 Ų6979%0.79136%0.359SS*.SBendtrans-80.1-15.1176.352.10000112.2Q46Q46-T48 PolarHBondContact O-N 3.26Å; Q46-T48 VanDerWaalsContact O-N 3.08Å
49N62Low85.2Confident156 Ų15674.7 Ų74.783%0.83438%0.383SS*.SBendtrans-108-6.6-169.5-59.7-15.2000113.7S47S47-N49 VanDerWaalsContact C-N 3.28Å
50S65.7Low85.3Confident24 Ų2470.2 Ų70.217%0.16837%0.367CS..  trans-91.1119.5174.689.90000109.6E44 S47 D52E44-S50 WeakPolarHBondContact OE1-CB 3.34Å; E44-S50 PolarHBondContact OE1-OG 3.27Å; S47-S50 PolarHBondContact OG-OG 3.03Å; S50-D52 PolarHBondContact O-N 2.77Å
51S69Low85.3Confident119 Ų11966.3 Ų66.383%0.83235%0.349SS*.  trans-81.910.3165.358.40000111.9F53S51-F53 VanDerWaalsContact C-N 3.31Å; S51-F53 PolarHBondContact O-N 3Å
52D83.2Confident85.3Confident79 Ų7966.2 Ų66.242%0.42235%0.348SS..SBendtrans-75-24-169.5-71.2-20000112.5V4 S50V4-D52 HydrophobicContact CG1-CB 4.31Å; V4-D52 HydrophobicContact CG2-CB 3.5Å; V4-D52 VanDerWaalsContact CG2-CB 3.5Å; V4-D52 WeakPolarHBondContact CG2-OD1 3.41Å; S50-D52 PolarHBondContact O-N 2.77Å
53F88.8Confident85.5Confident12 Ų1267.3 Ų67.35%0.05335%0.353CS..SBendtrans-134.7140.4180-62.3-85.5000112.3V4 V8 W11 E44 S51 Q57 K58 L61 I99 L100V4-F53 HydrophobicContact CG1-CE1 4Å; V4-F53 HydrophobicContact CG1-CE2 3.99Å; V4-F53 HydrophobicContact CG1-CZ 3.59Å; V8-F53 HydrophobicContact CG2-CE1 4.13Å; V8-F53 HydrophobicContact CG2-CZ 4.09Å; W11-F53 HydrophobicContact CH2-CE1 4.48Å; W11-F53 AromaticContact CH2-CE2 3.79Å; W11-F53 HydrophobicContact CH2-CE2 3.79Å; W11-F53 AromaticContact CH2-CZ 3.6Å; W11-F53 HydrophobicContact CH2-CZ 3.6Å; W11-F53 HydrophobicContact CZ3-CE1 4.04Å; W11-F53 HydrophobicContact CZ3-CE2 4.15Å; W11-F53 AromaticContact CZ3-CZ 3.47Å; W11-F53 HydrophobicContact CZ3-CZ 3.47Å; W11-F53 VanDerWaalsContact CZ3-CZ 3.47Å; E44-F53 HydrophobicContact CG-CD2 3.6Å; E44-F53 HydrophobicContact CG-CE2 3.71Å; E44-F53 HydrophobicContact CG-CG 4.49Å; E44-F53 WeakPolarHBondContact OE1-CD2 3.28Å; S51-F53 VanDerWaalsContact C-N 3.31Å; S51-F53 PolarHBondContact O-N 3Å; F53-Q57 VanDerWaalsContact CA-OE1 3.26Å; F53-Q57 HydrophobicContact CB-CB 4.18Å; F53-Q57 HydrophobicContact CD1-CB 4.2Å; F53-K58 HydrophobicContact CB-CG 4Å; F53-L61 HydrophobicContact CD1-CD1 4.2Å; F53-L61 HydrophobicContact CE1-CD1 4.33Å; F53-L61 HydrophobicContact CG-CD1 4.35Å; F53-I99 HydrophobicContact CE1-CG2 4.13Å; F53-L100 HydrophobicContact CD1-CD2 3.92Å; F53-L100 HydrophobicContact CE1-CD2 3.6Å; F53-L100 HydrophobicContact CZ-CD2 4.48Å
54T90.6Very high85.8Confident74 Ų7459.4 Ų59.445%0.45432%0.319SS..  trans-73.2162172.372.10000111.5E56 Q57 K58T54-E56 PolarHBondContact O-N 2.79Å; T54-Q57 WeakPolarHBondContact O-CB 3.19Å; T54-Q57 PolarHBondContact O-N 2.98Å; T54-Q57 VanDerWaalsContact O-N 3.08Å; T54-Q57 VanDerWaalsContact OG1-CG 3.27Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.34Å; T54-Q57 PolarHBondContact OG1-N 2.98Å; T54-K58 WeakPolarHBondContact O-CG 3.45Å; T54-K58 PolarHBondContact O-N 2.76Å
55E88.8Confident86Confident142 Ų14257.8 Ų57.866%0.66431%0.311SS*.Hα-helixtrans-58.2-35.8176.2-68.7-56.3123.400112.9K58 K59E55-K58 PolarHBondContact O-N 3.48Å; E55-K59 WeakPolarHBondContact O-CB 3.32Å; E55-K59 PolarHBondContact O-N 3.18Å
56E89.9Confident86.2Confident117 Ų11756.5 Ų56.555%0.54730%0.303SS..Hα-helixtrans-67.4-41.2175.1-175.1172.8-164.200111.9T54 K59 N60T54-E56 PolarHBondContact O-N 2.79Å; E56-K59 WeakPolarHBondContact O-CB 3.26Å; E56-K59 PolarHBondContact O-N 3.25Å; E56-N60 PolarHBondContact O-N 3.26Å; E56-N60 PolarHBondContact O-ND2 3.42Å
57Q92.1Very high86.7Confident25 Ų2552 Ų5212%0.11728%0.282CS..Hα-helixtrans-64.8-44175-69.2166.1-10.700111F53 T54 K59 N60 L61 L100F53-Q57 VanDerWaalsContact CA-OE1 3.26Å; F53-Q57 HydrophobicContact CB-CB 4.18Å; F53-Q57 HydrophobicContact CD1-CB 4.2Å; T54-Q57 WeakPolarHBondContact O-CB 3.19Å; T54-Q57 PolarHBondContact O-N 2.98Å; T54-Q57 VanDerWaalsContact O-N 3.08Å; T54-Q57 VanDerWaalsContact OG1-CG 3.27Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.34Å; T54-Q57 PolarHBondContact OG1-N 2.98Å; Q57-K59 VanDerWaalsContact C-N 3.32Å; Q57-K59 PolarHBondContact O-N 3.33Å; Q57-N60 PolarHBondContact O-N 3.46Å; Q57-N60 VanDerWaalsContact O-N 3.13Å; Q57-L61 WeakPolarHBondContact O-CG 3.33Å; Q57-L61 PolarHBondContact O-N 2.99Å; Q57-L100 PolarHBondContact NE2-O 3.46Å
58K91.3Very high87.2Confident15 Ų1550.5 Ų50.57%0.06527%0.272CS..Hα-helixtrans-59.7-41.5174.1-70.9-178.4-179.3179.70111.5V45 S47 F53 T54 E55 N60 L61 G62V45-K58 HydrophobicContact CG2-CB 4.43Å; V45-K58 VanDerWaalsContact CG2-O 3.22Å; V45-K58 WeakPolarHBondContact CG2-O 3.33Å; S47-K58 PolarHBondContact O-NZ 3.44Å; F53-K58 HydrophobicContact CB-CG 4Å; T54-K58 WeakPolarHBondContact O-CG 3.45Å; T54-K58 PolarHBondContact O-N 2.76Å; E55-K58 PolarHBondContact O-N 3.48Å; K58-N60 VanDerWaalsContact C-N 3.34Å; K58-N60 PolarHBondContact O-N 2.97Å; K58-L61 PolarHBondContact O-N 3.29Å; K58-G62 PolarHBondContact O-N 3.05Å
59K91.1Very high88.3Confident120 Ų12047.6 Ų47.652%0.52225%0.249SC..Hα-helixtrans-58.1-45.4173.4-174.7-179.5-179.9-178.80111.7E55 E56 Q57 G62 K63E55-K59 WeakPolarHBondContact O-CB 3.32Å; E55-K59 PolarHBondContact O-N 3.18Å; E56-K59 WeakPolarHBondContact O-CB 3.26Å; E56-K59 PolarHBondContact O-N 3.25Å; Q57-K59 VanDerWaalsContact C-N 3.32Å; Q57-K59 PolarHBondContact O-N 3.33Å; K59-G62 PolarHBondContact O-N 3.37Å; K59-K63 WeakPolarHBondContact O-CG 2.97Å; K59-K63 PolarHBondContact O-N 2.95Å
60N93.5Very high89.7Confident9 Ų943.9 Ų43.95%0.04823%0.228CC..Hα-helixtrans-66.1-40.1177.2-72.8-35.5000112.5E56 Q57 K58 G62 K63 I64 I99 F106E56-N60 PolarHBondContact O-N 3.26Å; E56-N60 PolarHBondContact O-ND2 3.42Å; Q57-N60 PolarHBondContact O-N 3.46Å; Q57-N60 VanDerWaalsContact O-N 3.13Å; K58-N60 VanDerWaalsContact C-N 3.34Å; K58-N60 PolarHBondContact O-N 2.97Å; N60-G62 VanDerWaalsContact C-N 3.33Å; N60-G62 PolarHBondContact O-N 3.25Å; N60-K63 PolarHBondContact O-N 3.26Å; N60-I64 VanDerWaalsContact O-CG1 3.3Å; N60-I64 WeakPolarHBondContact O-CG1 3.3Å; N60-I64 PolarHBondContact O-N 3.48Å; N60-I99 HydrophobicContact CB-CD1 3.78Å; N60-F106 HydrophobicContact CB-CD2 4.48Å
61L94.3Very high91Very high2 Ų243.6 Ų43.61%0.0122%0.223CC..Hα-helixtrans-59.6-43173.2-69.8-179000111.8W11 L41 E44 V45 F53 Q57 K58 K63 I64 A65 I99W11-L61 HydrophobicContact CE3-CD2 4.38Å; W11-L61 HydrophobicContact CH2-CD1 4.16Å; W11-L61 HydrophobicContact CZ3-CD1 4.02Å; W11-L61 HydrophobicContact CZ3-CD2 4.05Å; L41-L61 HydrophobicContact CD2-CD2 3.95Å; E44-L61 HydrophobicContact CB-CD1 4.39Å; E44-L61 HydrophobicContact CG-CD1 4.11Å; V45-L61 HydrophobicContact CG2-CB 3.73Å; F53-L61 HydrophobicContact CD1-CD1 4.2Å; F53-L61 HydrophobicContact CE1-CD1 4.33Å; F53-L61 HydrophobicContact CG-CD1 4.35Å; Q57-L61 WeakPolarHBondContact O-CG 3.33Å; Q57-L61 PolarHBondContact O-N 2.99Å; K58-L61 PolarHBondContact O-N 3.29Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 2.9Å; L61-I64 HydrophobicContact CD2-CD1 4.32Å; L61-I64 PolarHBondContact O-N 3.33Å; L61-A65 PolarHBondContact O-N 2.88Å; L61-I99 HydrophobicContact CD2-CD1 3.98Å; L61-I99 HydrophobicContact CD2-CG1 3.75Å; L61-I99 HydrophobicContact CG-CD1 4.29Å; L61-I99 HydrophobicContact CG-CG1 4.15Å
62G93.4Very high92Very high0 Ų038.1 Ų38.10%019%0.185CC..Hα-helixtrans-62.8-39.5175.900000112.7K58 K59 N60 A65 T66K58-G62 PolarHBondContact O-N 3.05Å; K59-G62 PolarHBondContact O-N 3.37Å; N60-G62 VanDerWaalsContact C-N 3.33Å; N60-G62 PolarHBondContact O-N 3.25Å; G62-A65 PolarHBondContact O-N 2.83Å; G62-T66 PolarHBondContact O-N 2.88Å; G62-T66 PolarHBondContact O-OG1 2.81Å
63K94.8Very high92.3Very high27 Ų2736.9 Ų36.912%0.11719%0.185CC..Hα-helixtrans-65.7-41.2173.8-70.3-171.9173.8-165.90112.7K59 N60 L61 A65 T66 C67 F106 V110 P112K59-K63 WeakPolarHBondContact O-CG 2.97Å; K59-K63 PolarHBondContact O-N 2.95Å; N60-K63 PolarHBondContact O-N 3.26Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 2.9Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 3.37Å; K63-T66 PolarHBondContact O-N 2.88Å; K63-C67 PolarHBondContact O-N 3.42Å; K63-C67 PolarHBondContact O-SG 3.18Å; K63-F106 HydrophobicContact CB-CD1 3.93Å; K63-F106 HydrophobicContact CB-CD2 4.1Å; K63-F106 HydrophobicContact CB-CE1 3.6Å; K63-F106 HydrophobicContact CB-CE2 3.8Å; K63-F106 HydrophobicContact CB-CG 4.16Å; K63-F106 HydrophobicContact CB-CZ 3.53Å; K63-F106 HydrophobicContact CD-CB 3.73Å; K63-F106 HydrophobicContact CD-CD1 3.58Å; K63-F106 HydrophobicContact CD-CD2 4.01Å; K63-F106 HydrophobicContact CD-CE1 4.15Å; K63-F106 HydrophobicContact CD-CG 3.49Å; K63-F106 VanDerWaalsContact CD-CG 3.49Å; K63-F106 HydrophobicContact CG-CD1 4.39Å; K63-F106 HydrophobicContact CG-CE1 4.49Å; K63-F106 HydrophobicContact CG-CG 4.5Å; K63-V110 HydrophobicContact CB-CG2 3.78Å; K63-V110 HydrophobicContact CD-CG2 4.28Å; K63-V110 WeakPolarHBondContact CE-O 3.46Å; K63-V110 HydrophobicContact CG-CG2 3.99Å; K63-P112 HydrophobicContact CG-CG 4.19Å
64I95.9Very high92.3Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-59.4-46174.4-67.3158.4000110L41 N60 L61 T66 C67 L68 L92 I95 I96 I99 F106L41-I64 HydrophobicContact CD1-CB 3.92Å; L41-I64 HydrophobicContact CD1-CG2 3.45Å; L41-I64 VanDerWaalsContact CD1-CG2 3.45Å; N60-I64 VanDerWaalsContact O-CG1 3.3Å; N60-I64 WeakPolarHBondContact O-CG1 3.3Å; N60-I64 PolarHBondContact O-N 3.48Å; L61-I64 HydrophobicContact CD2-CD1 4.32Å; L61-I64 PolarHBondContact O-N 3.33Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.4Å; I64-C67 PolarHBondContact O-N 3.43Å; I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 HydrophobicContact CG2-CG 4.47Å; I64-L68 WeakPolarHBondContact O-CG 3.3Å; I64-L68 PolarHBondContact O-N 2.86Å; I64-L92 HydrophobicContact CG1-CD2 4.47Å; I64-L92 HydrophobicContact CG2-CD1 4.3Å; I64-I95 HydrophobicContact CD1-CG2 4.08Å; I64-I96 HydrophobicContact CD1-CG1 3.78Å; I64-I96 HydrophobicContact CG1-CG1 4.39Å; I64-I96 HydrophobicContact CG2-CD1 3.85Å; I64-I96 HydrophobicContact CG2-CG1 3.98Å; I64-I99 HydrophobicContact CD1-CD1 4.36Å; I64-F106 HydrophobicContact CG1-CE2 3.8Å; I64-F106 HydrophobicContact CG1-CZ 3.95Å
65A95.1Very high92.1Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-58.5-43.7176.600000112.1A38 L41 Q42 L61 G62 K63 C67 L68 E69A38-A65 HydrophobicContact CB-CB 4.22Å; L41-A65 HydrophobicContact CB-CB 4.17Å; Q42-A65 HydrophobicContact CG-CB 3.81Å; L61-A65 PolarHBondContact O-N 2.88Å; G62-A65 PolarHBondContact O-N 2.83Å; K63-A65 VanDerWaalsContact C-N 3.32Å; K63-A65 PolarHBondContact O-N 3.37Å; A65-C67 PolarHBondContact O-N 2.92Å; A65-L68 WeakPolarHBondContact O-CB 3.25Å; A65-L68 PolarHBondContact O-N 3.48Å; A65-E69 WeakPolarHBondContact O-CG 3.4Å; A65-E69 PolarHBondContact O-N 3.43Å
66T93.5Very high91.7Very high11 Ų1131.9 Ų31.97%0.06716%0.159CC..Hα-helixtrans-59-45.1174.6-58.30000111.9G62 K63 I64 L68 E69 M70 V110 Q111 P112 V113G62-T66 PolarHBondContact O-N 2.88Å; G62-T66 PolarHBondContact O-OG1 2.81Å; K63-T66 PolarHBondContact O-N 2.88Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.4Å; T66-L68 VanDerWaalsContact C-N 3.33Å; T66-L68 PolarHBondContact O-N 3.26Å; T66-E69 PolarHBondContact O-N 3.45Å; T66-M70 HydrophobicContact CG2-CG 4.39Å; T66-M70 HydrophobicContact CG2-SD 4.16Å; T66-M70 VanDerWaalsContact O-CG 3.31Å; T66-M70 WeakPolarHBondContact O-CG 3.32Å; T66-M70 PolarHBondContact O-N 2.86Å; T66-V110 HydrophobicContact CG2-CB 4.03Å; T66-V110 HydrophobicContact CG2-CG1 4.42Å; T66-Q111 WeakPolarHBondContact CG2-O 3.14Å; T66-Q111 PolarHBondContact OG1-O 2.97Å; T66-P112 WeakPolarHBondContact OG1-CA 3.39Å; T66-V113 HydrophobicContact CG2-CG2 3.95Å; T66-V113 PolarHBondContact OG1-N 2.82Å
67C94.9Very high90.8Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-62.4-38.5177.4-67.60000112.8K63 I64 A65 M70 R71 F84 L89 L92K63-C67 PolarHBondContact O-N 3.42Å; K63-C67 PolarHBondContact O-SG 3.18Å; I64-C67 PolarHBondContact O-N 3.43Å; A65-C67 PolarHBondContact O-N 2.92Å; C67-M70 PolarHBondContact O-N 2.69Å; C67-R71 PolarHBondContact O-N 3.04Å; C67-F84 HydrophobicContact CB-CE1 4.07Å; C67-F84 HydrophobicContact CB-CE2 4.42Å; C67-F84 HydrophobicContact CB-CZ 3.79Å; C67-L89 HydrophobicContact CB-CD1 4.18Å; C67-L92 HydrophobicContact CB-CD1 3.5Å
68L95.2Very high89.2Confident0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-64.1-40.1175.4-69.5168.6000111.8F15 Y34 L37 A38 L41 I64 A65 T66 S72 L89F15-L68 HydrophobicContact CD2-CD2 3.99Å; F15-L68 HydrophobicContact CE2-CD2 4.04Å; Y34-L68 HydrophobicContact CD1-CD2 3.56Å; Y34-L68 HydrophobicContact CE1-CD2 4.22Å; Y34-L68 HydrophobicContact CG-CD2 4.04Å; L37-L68 HydrophobicContact CB-CD1 4.1Å; L37-L68 HydrophobicContact CD2-CD1 3.72Å; L37-L68 HydrophobicContact CD2-CD2 4.48Å; L37-L68 HydrophobicContact CG-CD1 3.71Å; A38-L68 HydrophobicContact CB-CB 4.08Å; A38-L68 HydrophobicContact CB-CD1 4.31Å; L41-L68 HydrophobicContact CD1-CD1 4.19Å; I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 HydrophobicContact CG2-CG 4.47Å; I64-L68 WeakPolarHBondContact O-CG 3.3Å; I64-L68 PolarHBondContact O-N 2.86Å; A65-L68 WeakPolarHBondContact O-CB 3.25Å; A65-L68 PolarHBondContact O-N 3.48Å; T66-L68 VanDerWaalsContact C-N 3.33Å; T66-L68 PolarHBondContact O-N 3.26Å; L68-S72 WeakPolarHBondContact O-CB 3.46Å; L68-S72 PolarHBondContact O-N 2.91Å; L68-S72 PolarHBondContact O-OG 2.79Å; L68-L89 HydrophobicContact CD2-CD1 4.1Å; L68-L89 HydrophobicContact CD2-CD2 4.31Å
69E91.3Very high87.2Confident67 Ų6742.9 Ų42.931%0.31323%0.227SC..Hα-helixtrans-66.3-43.2174.4-72.1-179179.100111.9A38 A65 T66 S72 A73A38-E69 HydrophobicContact CB-CG 4.23Å; A65-E69 WeakPolarHBondContact O-CG 3.4Å; A65-E69 PolarHBondContact O-N 3.43Å; T66-E69 PolarHBondContact O-N 3.45Å; E69-S72 WeakPolarHBondContact O-CB 3.48Å; E69-S72 PolarHBondContact O-N 3.24Å; E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.23Å
70M91.5Very high85.3Confident79 Ų7939.6 Ų39.639%0.38922%0.219SC..Hα-helixtrans-59.2-47.3175.3-70.8176.272.700111.2T66 C67 S72 A73 S74 F84 V110T66-M70 HydrophobicContact CG2-CG 4.39Å; T66-M70 HydrophobicContact CG2-SD 4.16Å; T66-M70 VanDerWaalsContact O-CG 3.31Å; T66-M70 WeakPolarHBondContact O-CG 3.32Å; T66-M70 PolarHBondContact O-N 2.86Å; C67-M70 PolarHBondContact O-N 2.69Å; M70-S72 PolarHBondContact O-N 3.46Å; M70-A73 PolarHBondContact O-N 3.38Å; M70-S74 PolarHBondContact O-N 3.1Å; M70-S74 PolarHBondContact O-OG 2.93Å; M70-S74 VanDerWaalsContact O-OG 3.11Å; M70-F84 HydrophobicContact CB-CB 3.92Å; M70-F84 HydrophobicContact CB-CD2 4.3Å; M70-F84 HydrophobicContact CB-CG 4.08Å; M70-F84 HydrophobicContact CE-CD2 3.89Å; M70-F84 HydrophobicContact SD-CD2 4.29Å; M70-V110 HydrophobicContact SD-CG1 3.78Å
71R92.8Very high83.1Confident18 Ų1849.5 Ų49.57%0.06826%0.262CS..Hα-helixtrans-61.8-44.9175.2-176.264.5178.8161.44.6111.2D22 Y34 C67 A73 S74 L75 E83 F84 L89D22-R71 IonicContact OD1-CZ 3.89Å; D22-R71 IonicContact OD1-NE 3.16Å; D22-R71 IonicContact OD1-NH2 3.67Å; D22-R71 PolarHBondContact OD1-NH2 3.45Å; D22-R71 IonicContact OD2-CZ 3Å; D22-R71 IonicContact OD2-NE 3.98Å; D22-R71 PolarHBondContact OD2-NE 2.78Å; D22-R71 IonicContact OD2-NH2 2.76Å; D22-R71 PolarHBondContact OD2-NH2 2.94Å; Y34-R71 HydrophobicContact CD2-CB 4.5Å; Y34-R71 HydrophobicContact CD2-CG 4.14Å; Y34-R71 HydrophobicContact CE2-CB 4.42Å; Y34-R71 HydrophobicContact CE2-CG 3.65Å; C67-R71 PolarHBondContact O-N 3.04Å; R71-A73 VanDerWaalsContact C-N 3.29Å; R71-A73 PolarHBondContact O-N 3.24Å; R71-S74 WeakPolarHBondContact O-CB 3.42Å; R71-S74 PolarHBondContact O-N 2.88Å; R71-S74 VanDerWaalsContact O-N 3.16Å; R71-L75 HydrophobicContact CG-CD1 4.26Å; R71-L75 HydrophobicContact CG-CG 4.26Å; R71-L75 WeakPolarHBondContact O-CG 3.49Å; R71-L75 PolarHBondContact O-N 2.75Å; R71-E83 IonicContact NH1-OE1 3.63Å; R71-E83 PolarHBondContact NH1-OE1 3.35Å; R71-F84 HydrophobicContact CB-CD1 4.1Å; R71-F84 WeakPolarHBondContact CD-O 3.28Å; R71-F84 PolarHBondContact NH1-O 3.35Å; R71-L89 HydrophobicContact CB-CD1 4.35Å; R71-L89 HydrophobicContact CB-CD2 4.09Å; R71-L89 HydrophobicContact CG-CD2 3.94Å
72S90.9Very high81.4Confident4 Ų457.9 Ų57.93%0.02830%0.301CS..Hα-helixtrans-57.5-43.1178.3-61.10000111.7Y34 L68 E69 M70 L75 Q76Y34-S72 VanDerWaalsContact CB-OG 3.32Å; Y34-S72 WeakPolarHBondContact CB-OG 3.41Å; L68-S72 WeakPolarHBondContact O-CB 3.46Å; L68-S72 PolarHBondContact O-N 2.91Å; L68-S72 PolarHBondContact O-OG 2.79Å; E69-S72 WeakPolarHBondContact O-CB 3.48Å; E69-S72 PolarHBondContact O-N 3.24Å; M70-S72 PolarHBondContact O-N 3.46Å; S72-L75 PolarHBondContact O-N 2.89Å; S72-Q76 VanDerWaalsContact O-CG 3.28Å; S72-Q76 WeakPolarHBondContact O-CG 3.31Å; S72-Q76 PolarHBondContact O-N 3Å; S72-Q76 VanDerWaalsContact O-N 3.13Å
73A88.5Confident80.7Confident52 Ų5263.3 Ų63.343%0.4333%0.326SS..Hα-helixtrans-66.9-41.2176.200000112.2E69 M70 R71 L75 Q76 C77E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.23Å; M70-A73 PolarHBondContact O-N 3.38Å; R71-A73 VanDerWaalsContact C-N 3.29Å; R71-A73 PolarHBondContact O-N 3.24Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.24Å; A73-Q76 PolarHBondContact O-N 2.92Å; A73-C77 WeakPolarHBondContact O-CB 3.28Å; A73-C77 PolarHBondContact O-N 3.23Å; A73-C77 VanDerWaalsContact O-N 3.11Å
74S89.1Confident80.4Confident13 Ų1363 Ų639%0.09133%0.325CS..Hα-helixtrans-60.8-40.9174-64.40000111.9M70 R71 Q76 C77 F84M70-S74 PolarHBondContact O-N 3.1Å; M70-S74 PolarHBondContact O-OG 2.93Å; M70-S74 VanDerWaalsContact O-OG 3.11Å; R71-S74 WeakPolarHBondContact O-CB 3.42Å; R71-S74 PolarHBondContact O-N 2.88Å; R71-S74 VanDerWaalsContact O-N 3.16Å; S74-Q76 VanDerWaalsContact C-N 3.28Å; S74-Q76 PolarHBondContact O-N 3.42Å; S74-C77 PolarHBondContact O-N 3.01Å; S74-F84 PolarHBondContact OG-N 3.49Å
75L86.4Confident80.2Confident18 Ų1868.2 Ų68.29%0.09435%0.348CS..Hα-helixtrans-67.7-28.1176.5-70-176.5000112.9L27 A30 I31 Y34 R71 S72 A73 F250L27-L75 HydrophobicContact CD2-CD2 3.93Å; A30-L75 HydrophobicContact CB-CD1 3.99Å; I31-L75 HydrophobicContact CD1-CB 3.72Å; I31-L75 HydrophobicContact CG1-CB 3.65Å; I31-L75 HydrophobicContact CG1-CD1 3.88Å; I31-L75 HydrophobicContact CG1-CG 4.43Å; Y34-L75 HydrophobicContact CD2-CD1 4.31Å; Y34-L75 HydrophobicContact CE2-CD1 3.9Å; R71-L75 HydrophobicContact CG-CD1 4.26Å; R71-L75 HydrophobicContact CG-CG 4.26Å; R71-L75 WeakPolarHBondContact O-CG 3.49Å; R71-L75 PolarHBondContact O-N 2.75Å; S72-L75 PolarHBondContact O-N 2.89Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.24Å; L75-F250 WeakPolarHBondContact O-CE2 3.44Å
76Q80.6Confident80Confident92 Ų9269 Ų6943%0.4335%0.352SS..Hα-helixtrans-82.7-22.6178.8-73.5175.3-6.800114I31 S72 A73 S74I31-Q76 HydrophobicContact CD1-CG 3.62Å; I31-Q76 HydrophobicContact CG1-CG 4.38Å; I31-Q76 HydrophobicContact CG2-CG 4.49Å; S72-Q76 VanDerWaalsContact O-CG 3.28Å; S72-Q76 WeakPolarHBondContact O-CG 3.31Å; S72-Q76 PolarHBondContact O-N 3Å; S72-Q76 VanDerWaalsContact O-N 3.13Å; A73-Q76 PolarHBondContact O-N 2.92Å; S74-Q76 VanDerWaalsContact C-N 3.28Å; S74-Q76 PolarHBondContact O-N 3.42Å
77C71.3Confident80Confident60 Ų6074.5 Ų74.541%0.40538%0.377SS..  trans-111.8115.7-170.9-169.30000111.9A73 S74 Q79A73-C77 WeakPolarHBondContact O-CB 3.28Å; A73-C77 PolarHBondContact O-N 3.23Å; A73-C77 VanDerWaalsContact O-N 3.11Å; S74-C77 PolarHBondContact O-N 3.01Å; C77-Q79 VanDerWaalsContact C-N 3.25Å; C77-Q79 PolarHBondContact O-N 2.89Å
78T57.9Low79.9Confident147 Ų14776.7 Ų76.790%0.90239%0.388SS*.THydrogen-bonded Turntrans-77.8-1.2175.239.30000114.5
79Q49.2Very low79.9Confident181 Ų18176.7 Ų76.785%0.84639%0.388SS*.THydrogen-bonded Turntrans-130.15.9-169.9-70.6-175.2-6.400115.7C77C77-Q79 VanDerWaalsContact C-N 3.25Å; C77-Q79 PolarHBondContact O-N 2.89Å
80S51.1Low80.1Confident52 Ų5277.7 Ų77.736%0.36439%0.392SS..  trans-81.4132.2-178.555.30000113E82S80-E82 VanDerWaalsContact C-N 3.32Å
81K48Very low80.3Confident217 Ų21779.4 Ų79.494%0.94340%0.397SS*.SBendtrans-76.4-16.4179.2-141.7176.5-174.1-179.10113.8
82E58.2Low80.4Confident178 Ų17878.5 Ų78.583%0.83239%0.394SS*.SBendtrans-112.998.7174.4-73.2179.917500108.6S80S80-E82 VanDerWaalsContact C-N 3.32Å
83E78.3Confident80.6Confident113 Ų11381.7 Ų81.753%0.52841%0.408SS..  trans-101.7122.5179.4-161.7-169.616200109.5R71 K85R71-E83 IonicContact NH1-OE1 3.63Å; R71-E83 PolarHBondContact NH1-OE1 3.35Å; E83-K85 PolarHBondContact O-N 3.42Å
84F88Confident80.8Confident20 Ų2084.8 Ų84.89%0.08842%0.417CS..  trans-79.6112169.3-165-90.8000108.3C67 M70 R71 S74 D88 L89 F108C67-F84 HydrophobicContact CB-CE1 4.07Å; C67-F84 HydrophobicContact CB-CE2 4.42Å; C67-F84 HydrophobicContact CB-CZ 3.79Å; M70-F84 HydrophobicContact CB-CB 3.92Å; M70-F84 HydrophobicContact CB-CD2 4.3Å; M70-F84 HydrophobicContact CB-CG 4.08Å; M70-F84 HydrophobicContact CE-CD2 3.89Å; M70-F84 HydrophobicContact SD-CD2 4.29Å; R71-F84 HydrophobicContact CB-CD1 4.1Å; R71-F84 WeakPolarHBondContact CD-O 3.28Å; R71-F84 PolarHBondContact NH1-O 3.35Å; S74-F84 PolarHBondContact OG-N 3.49Å; F84-D88 HydrophobicContact CE1-CB 4.34Å; F84-D88 HydrophobicContact CZ-CB 4.22Å; F84-L89 HydrophobicContact CD1-CB 4.32Å; F84-L89 HydrophobicContact CD1-CD1 4.31Å; F84-L89 HydrophobicContact CE1-CB 3.8Å; F84-L89 HydrophobicContact CE1-CD1 3.66Å; F84-L89 HydrophobicContact CE1-CG 4.35Å; F84-F108 HydrophobicContact CE2-CD1 4.25Å; F84-F108 HydrophobicContact CE2-CE1 4.41Å; F84-F108 HydrophobicContact CE2-CG 4.33Å; F84-F108 HydrophobicContact CZ-CD1 4.44Å; F84-F108 HydrophobicContact CZ-CD2 4.19Å; F84-F108 HydrophobicContact CZ-CE1 4.3Å; F84-F108 HydrophobicContact CZ-CE2 4.04Å; F84-F108 HydrophobicContact CZ-CG 4.41Å; F84-F108 HydrophobicContact CZ-CZ 4.11Å
85K91.5Very high81.1Confident111 Ų11184.6 Ų84.648%0.48341%0.414SS..  trans-78.2154.1-169.3-61-174179.4-1780112.6E83 E87 D88 L89E83-K85 PolarHBondContact O-N 3.42Å; K85-E87 VanDerWaalsContact C-N 3.29Å; K85-E87 WeakPolarHBondContact CB-OE2 3.49Å; K85-E87 PolarHBondContact O-N 3.25Å; K85-D88 HydrophobicContact CB-CB 4.49Å; K85-D88 PolarHBondContact O-N 3.04Å; K85-L89 PolarHBondContact O-N 3.45Å
86L92.8Very high81.5Confident17 Ų1783.9 Ų83.99%0.08941%0.411CS..Hα-helixtrans-63.7-36.3176178.455.8000111.8T19 D22 D88 L89 K90T19-L86 HydrophobicContact CG2-CD1 4.24Å; D22-L86 HydrophobicContact CB-CD1 4Å; D22-L86 HydrophobicContact CB-CD2 4.2Å; L86-D88 VanDerWaalsContact C-N 3.29Å; L86-D88 PolarHBondContact O-N 3.48Å; L86-L89 PolarHBondContact O-N 3.39Å; L86-K90 HydrophobicContact CD1-CG 4.31Å; L86-K90 HydrophobicContact CG-CD 4.36Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 3.18Å
87E92.8Very high82.2Confident126 Ų12684.8 Ų84.859%0.58941%0.413SS*.Hα-helixtrans-64.5-37178.1-6071.5-150.400111.5K85K85-E87 VanDerWaalsContact C-N 3.29Å; K85-E87 WeakPolarHBondContact CB-OE2 3.49Å; K85-E87 PolarHBondContact O-N 3.25Å
88D93.4Very high83.3Confident45 Ų4584.7 Ų84.724%0.24141%0.409CS..Hα-helixtrans-69.8-45.8174.2-70.8-40.8000110.4F84 K85 L86 K90 K91 F108F84-D88 HydrophobicContact CE1-CB 4.34Å; F84-D88 HydrophobicContact CZ-CB 4.22Å; K85-D88 HydrophobicContact CB-CB 4.49Å; K85-D88 PolarHBondContact O-N 3.04Å; L86-D88 VanDerWaalsContact C-N 3.29Å; L86-D88 PolarHBondContact O-N 3.48Å; D88-K90 VanDerWaalsContact C-N 3.28Å; D88-K90 PolarHBondContact O-N 3.44Å; D88-K91 VanDerWaalsContact O-CB 3.27Å; D88-K91 WeakPolarHBondContact O-CB 3.37Å; D88-K91 PolarHBondContact O-N 3.05Å; D88-K91 IonicContact OD1-NZ 3.47Å; D88-K91 PolarHBondContact OD1-NZ 2.79Å; D88-F108 HydrophobicContact CB-CE1 3.85Å; D88-F108 HydrophobicContact CB-CZ 3.87Å; D88-F108 WeakPolarHBondContact O-CZ 3.42Å
89L95.2Very high85Confident0 Ų077.7 Ų77.70%037%0.366CS..Hα-helixtrans-56.3-43.9176.5-166.872.9000111.7F15 T19 Y34 C67 L68 R71 F84 K85 L86 K91 L92F15-L89 HydrophobicContact CE2-CD1 4.32Å; F15-L89 HydrophobicContact CE2-CD2 4.28Å; F15-L89 HydrophobicContact CE2-CG 3.94Å; F15-L89 HydrophobicContact CZ-CG 4.05Å; F15-L89 VanDerWaalsContact CZ-O 3.31Å; F15-L89 WeakPolarHBondContact CZ-O 3.46Å; T19-L89 HydrophobicContact CG2-CD2 4.24Å; Y34-L89 HydrophobicContact CD1-CD2 4.32Å; Y34-L89 HydrophobicContact CE1-CD2 3.6Å; Y34-L89 HydrophobicContact CE2-CD2 4.03Å; Y34-L89 VanDerWaalsContact CZ-CD2 3.42Å; Y34-L89 WeakPolarHBondContact OH-CD2 3.41Å; C67-L89 HydrophobicContact CB-CD1 4.18Å; L68-L89 HydrophobicContact CD2-CD1 4.1Å; L68-L89 HydrophobicContact CD2-CD2 4.31Å; R71-L89 HydrophobicContact CB-CD1 4.35Å; R71-L89 HydrophobicContact CB-CD2 4.09Å; R71-L89 HydrophobicContact CG-CD2 3.94Å; F84-L89 HydrophobicContact CD1-CB 4.32Å; F84-L89 HydrophobicContact CD1-CD1 4.31Å; F84-L89 HydrophobicContact CE1-CB 3.8Å; F84-L89 HydrophobicContact CE1-CD1 3.66Å; F84-L89 HydrophobicContact CE1-CG 4.35Å; K85-L89 PolarHBondContact O-N 3.45Å; L86-L89 PolarHBondContact O-N 3.39Å; L89-K91 PolarHBondContact O-N 3.18Å; L89-K91 VanDerWaalsContact O-N 3.07Å; L89-L92 HydrophobicContact CD1-CD1 3.71Å; L89-L92 VanDerWaalsContact O-CB 3.23Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 WeakPolarHBondContact O-CG 3.43Å; L89-L92 PolarHBondContact O-N 2.99Å
90K95.3Very high87.1Confident89 Ų8971.6 Ų71.639%0.38734%0.339SS..Hα-helixtrans-57.8-23.2178.9-77.6176.5178.2172.90113.8T19 S23 L86 D88 L92 E93T19-K90 HydrophobicContact CG2-CG 4.34Å; S23-K90 PolarHBondContact OG-NZ 3.03Å; L86-K90 HydrophobicContact CD1-CG 4.31Å; L86-K90 HydrophobicContact CG-CD 4.36Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 3.18Å; D88-K90 VanDerWaalsContact C-N 3.28Å; D88-K90 PolarHBondContact O-N 3.44Å; K90-L92 PolarHBondContact O-N 3.37Å; K90-E93 WeakPolarHBondContact O-CB 3.46Å; K90-E93 PolarHBondContact O-N 2.86Å; K90-E93 VanDerWaalsContact O-N 3.14Å
91K94.8Very high89.1Confident114 Ų11474.2 Ų74.250%0.49635%0.352SS..THydrogen-bonded Turntrans-62.4-22173.2-61.5172.9-177.1162.50112.6D88 L89 E93 F108D88-K91 VanDerWaalsContact O-CB 3.27Å; D88-K91 WeakPolarHBondContact O-CB 3.37Å; D88-K91 PolarHBondContact O-N 3.05Å; D88-K91 IonicContact OD1-NZ 3.47Å; D88-K91 PolarHBondContact OD1-NZ 2.79Å; L89-K91 PolarHBondContact O-N 3.18Å; L89-K91 VanDerWaalsContact O-N 3.07Å; K91-E93 VanDerWaalsContact C-N 3.33Å; K91-F108 HydrophobicContact CB-CZ 4.21Å; K91-F108 HydrophobicContact CD-CE1 4.47Å; K91-F108 HydrophobicContact CD-CZ 3.98Å
92L95.4Very high91.2Very high0 Ų065.5 Ų65.50%031%0.314CS..THydrogen-bonded Turntrans-74.8-18.2177.6-57.1-179.1000113.5F15 I64 C67 L89 K90 L94 I95 I96 F106 F108F15-L92 HydrophobicContact CE2-CB 4.08Å; F15-L92 HydrophobicContact CZ-CB 4.03Å; I64-L92 HydrophobicContact CG1-CD2 4.47Å; I64-L92 HydrophobicContact CG2-CD1 4.3Å; C67-L92 HydrophobicContact CB-CD1 3.5Å; L89-L92 HydrophobicContact CD1-CD1 3.71Å; L89-L92 VanDerWaalsContact O-CB 3.23Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 WeakPolarHBondContact O-CG 3.43Å; L89-L92 PolarHBondContact O-N 2.99Å; K90-L92 PolarHBondContact O-N 3.37Å; L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 PolarHBondContact O-N 2.89Å; L92-I95 HydrophobicContact CD2-CD1 3.98Å; L92-I95 WeakPolarHBondContact O-CB 3.3Å; L92-I95 PolarHBondContact O-N 3.5Å; L92-I96 HydrophobicContact CB-CD1 4.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 2.83Å; L92-F106 HydrophobicContact CD2-CE1 4.16Å; L92-F106 HydrophobicContact CD2-CE2 4.16Å; L92-F106 HydrophobicContact CD2-CZ 3.52Å; L92-F108 HydrophobicContact CD2-CD2 3.92Å; L92-F108 HydrophobicContact CD2-CE2 3.61Å; L92-F108 HydrophobicContact CG-CE2 4.09Å
93E95.1Very high92.6Very high70 Ų7063.2 Ų63.233%0.32731%0.308SS..Hα-helixtrans-55.1-46.7-177.4-171.9178.1-179.200111.1H12 F15 K90 K91 I95 I96 K97H12-E93 IonicContact CE1-OE1 2.6Å; H12-E93 WeakPolarHBondContact NE2-CG 3.47Å; H12-E93 IonicContact NE2-OE1 2.77Å; F15-E93 HydrophobicContact CD1-CB 4.26Å; F15-E93 HydrophobicContact CD1-CG 4.42Å; F15-E93 HydrophobicContact CE1-CB 3.8Å; F15-E93 HydrophobicContact CE1-CG 4.38Å; K90-E93 WeakPolarHBondContact O-CB 3.46Å; K90-E93 PolarHBondContact O-N 2.86Å; K90-E93 VanDerWaalsContact O-N 3.14Å; K91-E93 VanDerWaalsContact C-N 3.33Å; E93-I95 VanDerWaalsContact C-N 3.31Å; E93-I95 PolarHBondContact O-N 3.12Å; E93-I96 PolarHBondContact O-N 3.13Å; E93-K97 VanDerWaalsContact O-CB 3.31Å; E93-K97 WeakPolarHBondContact O-CB 3.49Å; E93-K97 PolarHBondContact O-N 3Å
94L93.2Very high93.2Very high118 Ų11865 Ų6562%0.61831%0.313SS*.Hα-helixtrans-68.1-31.4179.3-169.369.7000112.4L92 N98L92-L94 VanDerWaalsContact C-N 3.29Å; L92-L94 PolarHBondContact O-N 2.89Å; L94-N98 WeakPolarHBondContact CD1-ND2 3.48Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 2.93Å; L94-N98 PolarHBondContact O-ND2 2.92Å
95I95.2Very high93.2Very high8 Ų872.7 Ų72.74%0.04135%0.35CS..Hα-helixtrans-72-47.9179.1-53.6-176.3000109.7I64 L92 E93 K97 N98 I99 Y102 F106 P107I64-I95 HydrophobicContact CD1-CG2 4.08Å; L92-I95 HydrophobicContact CD2-CD1 3.98Å; L92-I95 WeakPolarHBondContact O-CB 3.3Å; L92-I95 PolarHBondContact O-N 3.5Å; E93-I95 VanDerWaalsContact C-N 3.31Å; E93-I95 PolarHBondContact O-N 3.12Å; I95-K97 PolarHBondContact O-N 2.59Å; I95-N98 CarbonylContact O-C 3.52Å; I95-N98 PolarHBondContact O-N 3.28Å; I95-I99 VanDerWaalsContact O-CA 3.32Å; I95-I99 WeakPolarHBondContact O-CA 3.48Å; I95-I99 PolarHBondContact O-N 2.89Å; I95-Y102 HydrophobicContact CB-CD2 4.43Å; I95-Y102 HydrophobicContact CB-CE2 4.31Å; I95-Y102 HydrophobicContact CD1-CE2 4.13Å; I95-Y102 HydrophobicContact CG1-CD2 4.29Å; I95-Y102 HydrophobicContact CG1-CE2 3.72Å; I95-Y102 HydrophobicContact CG2-CD1 4.08Å; I95-Y102 HydrophobicContact CG2-CD2 4.02Å; I95-Y102 HydrophobicContact CG2-CE1 4.06Å; I95-Y102 HydrophobicContact CG2-CE2 4.03Å; I95-Y102 HydrophobicContact CG2-CG 4.03Å; I95-F106 HydrophobicContact CD1-CD2 4.26Å; I95-F106 HydrophobicContact CD1-CE2 4.09Å; I95-F106 HydrophobicContact CG2-CE2 4.29Å; I95-P107 HydrophobicContact CD1-CG 3.66Å
96I94.9Very high93.2Very high3 Ų368 Ų682%0.01533%0.329CS..Hα-helixtrans-60-48.3177.2-66167000109.8V8 W11 H12 F15 I64 L92 E93 N98 I99V8-I96 VanDerWaalsContact CG1-O 3.27Å; V8-I96 WeakPolarHBondContact CG1-O 3.47Å; W11-I96 HydrophobicContact CB-CG2 4.24Å; H12-I96 HydrophobicContact CB-CG2 4.05Å; F15-I96 HydrophobicContact CB-CD1 3.81Å; F15-I96 HydrophobicContact CD1-CD1 4.14Å; F15-I96 HydrophobicContact CD2-CD1 3.27Å; F15-I96 HydrophobicContact CE2-CD1 3.86Å; F15-I96 HydrophobicContact CG-CD1 3.45Å; F15-I96 VanDerWaalsContact CG-CD1 3.45Å; I64-I96 HydrophobicContact CD1-CG1 3.78Å; I64-I96 HydrophobicContact CG1-CG1 4.39Å; I64-I96 HydrophobicContact CG2-CD1 3.85Å; I64-I96 HydrophobicContact CG2-CG1 3.98Å; L92-I96 HydrophobicContact CB-CD1 4.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 2.83Å; E93-I96 PolarHBondContact O-N 3.13Å; I96-N98 PolarHBondContact O-N 3.09Å; I96-I99 PolarHBondContact O-N 2.88Å
97K94.1Very high93.2Very high111 Ų11170.3 Ų70.348%0.48335%0.346SS..Hα-helixtrans-58.6-35.9-179.8-173.7176.2177.4-179.20112.9E93 I95E93-K97 VanDerWaalsContact O-CB 3.31Å; E93-K97 WeakPolarHBondContact O-CB 3.49Å; E93-K97 PolarHBondContact O-N 3Å; I95-K97 PolarHBondContact O-N 2.59Å
98N94.3Very high93.1Very high58 Ų5865.8 Ų65.831%0.3132%0.324SS..THydrogen-bonded Turntrans-110.821.2-174.1-59.2-45.3000113L94 I95 I96 L100 T101 Y102L94-N98 WeakPolarHBondContact CD1-ND2 3.48Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 2.93Å; L94-N98 PolarHBondContact O-ND2 2.92Å; I95-N98 CarbonylContact O-C 3.52Å; I95-N98 PolarHBondContact O-N 3.28Å; I96-N98 PolarHBondContact O-N 3.09Å; N98-L100 PolarHBondContact O-N 2.79Å; N98-T101 CarbonylContact O-C 3.45Å; N98-T101 PolarHBondContact O-N 3.43Å; N98-T101 PolarHBondContact O-OG1 3.44Å; N98-Y102 WeakPolarHBondContact O-CB 3.29Å; N98-Y102 PolarHBondContact O-N 2.97Å
99I94.8Very high92.9Very high1 Ų171 Ų711%0.00535%0.352CS..G310 helixtrans-55-34.7-170.7-170.565.8000112.8V8 F53 N60 L61 I64 I95 I96 T101V8-I99 HydrophobicContact CB-CG2 4.41Å; V8-I99 HydrophobicContact CG1-CG2 3.89Å; V8-I99 HydrophobicContact CG2-CG2 3.55Å; F53-I99 HydrophobicContact CE1-CG2 4.13Å; N60-I99 HydrophobicContact CB-CD1 3.78Å; L61-I99 HydrophobicContact CD2-CD1 3.98Å; L61-I99 HydrophobicContact CD2-CG1 3.75Å; L61-I99 HydrophobicContact CG-CD1 4.29Å; L61-I99 HydrophobicContact CG-CG1 4.15Å; I64-I99 HydrophobicContact CD1-CD1 4.36Å; I95-I99 VanDerWaalsContact O-CA 3.32Å; I95-I99 WeakPolarHBondContact O-CA 3.48Å; I95-I99 PolarHBondContact O-N 2.89Å; I96-I99 PolarHBondContact O-N 2.88Å; I99-T101 VanDerWaalsContact C-N 3.26Å; I99-T101 PolarHBondContact O-N 3.49Å
100L92.7Very high92.6Very high53 Ų5371.6 Ų71.628%0.27736%0.355SS..G310 helixtrans-68.8-23.1-179.8-58.6-179.5000113.6V4 V8 F53 Q57 N98V4-L100 HydrophobicContact CG1-CD1 4.19Å; V4-L100 HydrophobicContact CG1-CD2 3.75Å; V8-L100 HydrophobicContact CG2-CG 4.38Å; F53-L100 HydrophobicContact CD1-CD2 3.92Å; F53-L100 HydrophobicContact CE1-CD2 3.6Å; F53-L100 HydrophobicContact CZ-CD2 4.48Å; Q57-L100 PolarHBondContact NE2-O 3.46Å; N98-L100 PolarHBondContact O-N 2.79Å
101T93Very high92Very high106 Ų10673.5 Ų73.565%0.6537%0.365SS*.G310 helixtrans-120.97.9-17860.10000112.4N98 I99 N103N98-T101 CarbonylContact O-C 3.45Å; N98-T101 PolarHBondContact O-N 3.43Å; N98-T101 PolarHBondContact O-OG1 3.44Å; I99-T101 VanDerWaalsContact C-N 3.26Å; I99-T101 PolarHBondContact O-N 3.49Å; T101-N103 PolarHBondContact O-N 2.97Å
102Y91.9Very high91.3Very high35 Ų3570.3 Ų70.314%0.13736%0.356CS..  trans-79.3115.6-176-176-96.3000109.9I95 N98 K104 E105I95-Y102 HydrophobicContact CB-CD2 4.43Å; I95-Y102 HydrophobicContact CB-CE2 4.31Å; I95-Y102 HydrophobicContact CD1-CE2 4.13Å; I95-Y102 HydrophobicContact CG1-CD2 4.29Å; I95-Y102 HydrophobicContact CG1-CE2 3.72Å; I95-Y102 HydrophobicContact CG2-CD1 4.08Å; I95-Y102 HydrophobicContact CG2-CD2 4.02Å; I95-Y102 HydrophobicContact CG2-CE1 4.06Å; I95-Y102 HydrophobicContact CG2-CE2 4.03Å; I95-Y102 HydrophobicContact CG2-CG 4.03Å; N98-Y102 WeakPolarHBondContact O-CB 3.29Å; N98-Y102 PolarHBondContact O-N 2.97Å; Y102-K104 HydrophobicContact CE1-CB 4.48Å; Y102-K104 WeakPolarHBondContact CE1-O 3.48Å; Y102-K104 HydrophobicContact CE2-CB 3.98Å; Y102-E105 PolarHBondContact OH-O 2.85Å
103N88.6Confident89.9Confident130 Ų13072 Ų7270%0.69537%0.367SS*.  trans-128.318.8-175.466.4-13.1000112.6T101T101-N103 PolarHBondContact O-N 2.97Å
104K89.8Confident88.3Confident149 Ų14973.3 Ų73.365%0.64838%0.381SS*.SBendtrans-99.9162.3179.8-64.3-173.1179.7-176.70110.4Y102 F106Y102-K104 HydrophobicContact CE1-CB 4.48Å; Y102-K104 WeakPolarHBondContact CE1-O 3.48Å; Y102-K104 HydrophobicContact CE2-CB 3.98Å; K104-F106 PolarHBondContact O-N 2.94Å
105E89.1Confident86.5Confident183 Ų18370.9 Ų70.986%0.85537%0.369SS*.PPolyproline II helixtrans-64.6134.8171.1-169.4168.3-159.200110.7Y102Y102-E105 PolarHBondContact OH-O 2.85Å
106F91.8Very high84.1Confident12 Ų1282.4 Ų82.45%0.05341%0.412CS..PPolyproline II helixtrans-64.6132.9-179.7-162.1-94.2000110.1N60 K63 I64 L92 I95 K104 F108 V110N60-F106 HydrophobicContact CB-CD2 4.48Å; K63-F106 HydrophobicContact CB-CD1 3.93Å; K63-F106 HydrophobicContact CB-CD2 4.1Å; K63-F106 HydrophobicContact CB-CE1 3.6Å; K63-F106 HydrophobicContact CB-CE2 3.8Å; K63-F106 HydrophobicContact CB-CG 4.16Å; K63-F106 HydrophobicContact CB-CZ 3.53Å; K63-F106 HydrophobicContact CD-CB 3.73Å; K63-F106 HydrophobicContact CD-CD1 3.58Å; K63-F106 HydrophobicContact CD-CD2 4.01Å; K63-F106 HydrophobicContact CD-CE1 4.15Å; K63-F106 HydrophobicContact CD-CG 3.49Å; K63-F106 VanDerWaalsContact CD-CG 3.49Å; K63-F106 HydrophobicContact CG-CD1 4.39Å; K63-F106 HydrophobicContact CG-CE1 4.49Å; K63-F106 HydrophobicContact CG-CG 4.5Å; I64-F106 HydrophobicContact CG1-CE2 3.8Å; I64-F106 HydrophobicContact CG1-CZ 3.95Å; L92-F106 HydrophobicContact CD2-CE1 4.16Å; L92-F106 HydrophobicContact CD2-CE2 4.16Å; L92-F106 HydrophobicContact CD2-CZ 3.52Å; I95-F106 HydrophobicContact CD1-CD2 4.26Å; I95-F106 HydrophobicContact CD1-CE2 4.09Å; I95-F106 HydrophobicContact CG2-CE2 4.29Å; K104-F106 PolarHBondContact O-N 2.94Å; F106-F108 HydrophobicContact CD1-CB 4.16Å; F106-F108 HydrophobicContact CD1-CD2 4.38Å; F106-F108 WeakPolarHBondContact CD1-O 3.45Å; F106-F108 HydrophobicContact CE1-CB 4.07Å; F106-F108 AromaticContact CE1-CD2 3.78Å; F106-F108 HydrophobicContact CE1-CD2 3.78Å; F106-F108 HydrophobicContact CE1-CG 4.42Å; F106-F108 PolarHBondContact O-N 2.62Å; F106-V110 HydrophobicContact CD1-CG2 4.18Å; F106-V110 HydrophobicContact CE1-CG2 3.8Å
107P91.8Very high81.5Confident66 Ų6690.7 Ų90.743%0.42945%0.448SS..SBendtrans-72.6-3.6-167.428.9-37.2000115.2I95I95-P107 HydrophobicContact CD1-CG 3.66Å
108F91.4Very high79.1Confident31 Ų3189 Ų8914%0.13644%0.443CS..SBendtrans-129.4138.8-177.1-53.2-65000110.9F84 D88 K91 L92 F106 V110F84-F108 HydrophobicContact CE2-CD1 4.25Å; F84-F108 HydrophobicContact CE2-CE1 4.41Å; F84-F108 HydrophobicContact CE2-CG 4.33Å; F84-F108 HydrophobicContact CZ-CD1 4.44Å; F84-F108 HydrophobicContact CZ-CD2 4.19Å; F84-F108 HydrophobicContact CZ-CE1 4.3Å; F84-F108 HydrophobicContact CZ-CE2 4.04Å; F84-F108 HydrophobicContact CZ-CG 4.41Å; F84-F108 HydrophobicContact CZ-CZ 4.11Å; D88-F108 HydrophobicContact CB-CE1 3.85Å; D88-F108 HydrophobicContact CB-CZ 3.87Å; D88-F108 WeakPolarHBondContact O-CZ 3.42Å; K91-F108 HydrophobicContact CB-CZ 4.21Å; K91-F108 HydrophobicContact CD-CE1 4.47Å; K91-F108 HydrophobicContact CD-CZ 3.98Å; L92-F108 HydrophobicContact CD2-CD2 3.92Å; L92-F108 HydrophobicContact CD2-CE2 3.61Å; L92-F108 HydrophobicContact CG-CE2 4.09Å; F106-F108 HydrophobicContact CD1-CB 4.16Å; F106-F108 HydrophobicContact CD1-CD2 4.38Å; F106-F108 WeakPolarHBondContact CD1-O 3.45Å; F106-F108 HydrophobicContact CE1-CB 4.07Å; F106-F108 AromaticContact CE1-CD2 3.78Å; F106-F108 HydrophobicContact CE1-CD2 3.78Å; F106-F108 HydrophobicContact CE1-CG 4.42Å; F106-F108 PolarHBondContact O-N 2.62Å; F108-V110 VanDerWaalsContact C-N 3.25Å; F108-V110 HydrophobicContact CB-CG1 4.05Å; F108-V110 HydrophobicContact CB-CG2 4.23Å; F108-V110 PolarHBondContact O-N 3.27Å
109D88.8Confident76.3Confident155 Ų15594 Ų9483%0.82947%0.469SS*.  trans-79.379170.8-171.115.2000109.8
110V88.6Confident73.3Confident11 Ų1198 Ų987%0.06750%0.502CS..  trans-126.1141.8178.4-64.20000110.2K63 T66 M70 F106 F108K63-V110 HydrophobicContact CB-CG2 3.78Å; K63-V110 HydrophobicContact CD-CG2 4.28Å; K63-V110 WeakPolarHBondContact CE-O 3.46Å; K63-V110 HydrophobicContact CG-CG2 3.99Å; T66-V110 HydrophobicContact CG2-CB 4.03Å; T66-V110 HydrophobicContact CG2-CG1 4.42Å; M70-V110 HydrophobicContact SD-CG1 3.78Å; F106-V110 HydrophobicContact CD1-CG2 4.18Å; F106-V110 HydrophobicContact CE1-CG2 3.8Å; F108-V110 VanDerWaalsContact C-N 3.25Å; F108-V110 HydrophobicContact CB-CG1 4.05Å; F108-V110 HydrophobicContact CB-CG2 4.23Å; F108-V110 PolarHBondContact O-N 3.27Å
111Q83.5Confident70.6Confident129 Ų129100.3 Ų100.360%0.60352%0.52SS*.PPolyproline II helixtrans-100.1137.8173.3-61.6-58.6-36.700109.7T66 V113T66-Q111 WeakPolarHBondContact CG2-O 3.14Å; T66-Q111 PolarHBondContact OG1-O 2.97Å; Q111-V113 PolarHBondContact O-N 3.41Å
112P78.6Confident67.8Low47 Ų4798.2 Ų98.231%0.30552%0.519SS..PPolyproline II helixtrans-56.3125.2172.7-2534.8000111.1K63 T66K63-P112 HydrophobicContact CG-CG 4.19Å; T66-P112 WeakPolarHBondContact OG1-CA 3.39Å
113V67.9Low65.2Low36 Ų36106 Ų10622%0.21856%0.557CS.*PPolyproline II helixtrans-80.3130.5178.3-179.30000109.9Q42 T66 Q111Q42-V113 PolarHBondContact NE2-O 2.92Å; Q42-V113 PolarHBondContact OE1-O 2.91Å; T66-V113 HydrophobicContact CG2-CG2 3.95Å; T66-V113 PolarHBondContact OG1-N 2.82Å; Q111-V113 PolarHBondContact O-N 3.41Å
114P60Low62.8Low97 Ų97108.5 Ų108.563%0.6357%0.565SS**PPolyproline II helixtrans-69.1143170.2-15.929.4000111.3R116P114-R116 PolarHBondContact O-N 3.16Å
115L56.2Low60.1Low68 Ų68110 Ų11036%0.35657%0.574SS.*G310 helixtrans-49.6-15.8-175.3-82169.8000116.8Q42 K117 I118Q42-L115 HydrophobicContact CB-CD2 4.07Å; L115-K117 PolarHBondContact O-N 2.96Å; L115-I118 HydrophobicContact CD2-CD1 3.33Å; L115-I118 HydrophobicContact CD2-CG1 4.31Å; L115-I118 WeakPolarHBondContact O-CG1 3.42Å; L115-I118 PolarHBondContact O-N 3.13Å
116R44Very low57.1Low250 Ų250107.7 Ų107.794%0.94357%0.568SS**G310 helixtrans-68.56.3-173.2-76.9-172.6179.7142.40.8116P114P114-R116 PolarHBondContact O-N 3.16Å
117K41.3Very low54.3Low177 Ų177116 Ų11677%0.7761%0.611SS**G310 helixtrans-105.18.1168.4-77.5-175.2179.7178.70114.4L115 L119L115-K117 PolarHBondContact O-N 2.96Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 2.83Å
118I43.6Very low51.4Low75 Ų75120.2 Ų120.239%0.38563%0.625SS.*  trans-72.989.1167.6-56.4-179.8000107.7R39 L115 A120R39-I118 HydrophobicContact CG-CD1 4.27Å; L115-I118 HydrophobicContact CD2-CD1 3.33Å; L115-I118 HydrophobicContact CD2-CG1 4.31Å; L115-I118 WeakPolarHBondContact O-CG1 3.42Å; L115-I118 PolarHBondContact O-N 3.13Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 3.49Å
119L34.3Very low49.1Very low162 Ų162127.5 Ų127.585%0.84867%0.665SS**  trans-55.7105.3153.4-86.8151.8000106.2K117 P121K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 2.83Å; L119-P121 VanDerWaalsContact O-CD 3.29Å; L119-P121 WeakPolarHBondContact O-CD 3.47Å
120A32.4Very low46.2Very low85 Ų85128.3 Ų128.370%0.70266%0.664SS**  trans-66.5134.1170.300000109.2I118I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 3.49Å
121P35.3Very low43.6Very low103 Ų103132.4 Ų132.467%0.66970%0.699SS**  trans-114103.4135.1514.6000107.8L119L119-P121 VanDerWaalsContact O-CD 3.29Å; L119-P121 WeakPolarHBondContact O-CD 3.47Å
122G35.2Very low41.3Very low61 Ų61135.7 Ų135.763%0.62971%0.714SS**  trans65.9119.9158.400000116.6E124G122-E124 PolarHBondContact O-N 3.31Å
123E36.6Very low39Very low200 Ų200140.2 Ų140.294%0.93574%0.735SS**  trans-47.5108.1165.5-67.5156.2151.800111.1E125E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 3.06Å
124E39.5Very low37.5Very low182 Ų182145.3 Ų145.385%0.8576%0.762SS**  trans-94.370.5164.5-71.7-169.6-174.200108.6G122G122-E124 PolarHBondContact O-N 3.31Å
125E31.5Very low36.2Very low179 Ų179145.2 Ų145.284%0.83677%0.769SS**  trans-99.884.8160-156.2173.6-146.600107E123E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 3.06Å
126N27.2Very low35Very low136 Ų136147 Ų14773%0.72779%0.793SS**  trans166.988.5151.1-88.9-44.7000109.4E128N126-E128 PolarHBondContact O-N 3.41Å; N126-E128 VanDerWaalsContact O-N 3.11Å
127L33.8Very low34.8Very low186 Ų186140.4 Ų140.497%0.97479%0.792SS**  trans-79.368.8157.8-97.8146.3000107.8
128E29.3Very low34.1Very low154 Ų154135 Ų13572%0.7279%0.787SS**  trans-110.7133.3159.4-75.2-168.3164.700108.7N126 E130N126-E128 PolarHBondContact O-N 3.41Å; N126-E128 VanDerWaalsContact O-N 3.11Å; E128-E130 PolarHBondContact O-N 3.4Å
129L42.6Very low33.6Very low184 Ų184136.8 Ų136.896%0.96381%0.813SS**  trans-59.294.9177.9-70.7156.6000109.4
130E28.3Very low33.3Very low172 Ų172135 Ų13580%0.80481%0.808SS**  trans-100118.8162.5-64.3-141.9153.300109.8E128 E132E128-E130 PolarHBondContact O-N 3.4Å; E130-E132 PolarHBondContact O-N 2.85Å
131A34.3Very low33.4Very low97 Ų97135.9 Ų135.980%0.80281%0.81SS**  trans-54.5118.4165.300000108.3D133A131-D133 VanDerWaalsContact C-N 3.34Å; A131-D133 PolarHBondContact O-N 3.2Å
132E34.7Very low33.4Very low199 Ų199136.6 Ų136.693%0.9381%0.812SS**  trans-7193.8172.1-67-178.9158.400108.9E130E130-E132 PolarHBondContact O-N 2.85Å
133D30.5Very low33.2Very low141 Ų141141 Ų14175%0.75482%0.816SS**  trans-116.4127.5158.6-128.77.9000109.8A131A131-D133 VanDerWaalsContact C-N 3.34Å; A131-D133 PolarHBondContact O-N 3.2Å
134D37.8Very low33Very low144 Ų144137.5 Ų137.577%0.7781%0.809SS**  trans60.4121.9154.4-78-20.6000125.2
135A32.8Very low33Very low95 Ų95136.3 Ų136.379%0.78580%0.801SS**  59.3112.1124.500000120.5
136A30.1Very low33.2Very low104 Ų104132.8 Ų132.886%0.8679%0.794SS**  -162138.9126.300000111.5
137A39.8Very low33.8Very low112 Ų112131.8 Ų131.893%0.92679%0.794SS**  trans-66140.617700000112.6
138G27.2Very low34.7Very low63 Ų63132.2 Ų132.265%0.64978%0.783SS**  trans-159.2115.2168.100000109.5V140G138-V140 PolarHBondContact O-N 2.97Å
139A32.6Very low35.6Very low113 Ų113128.6 Ų128.693%0.93478%0.78SS**PPolyproline II helixtrans-53.2120-175.700000112.1
140V28.7Very low36.4Very low125 Ų125122.9 Ų122.976%0.75876%0.759SS**PPolyproline II helixtrans-89.2119.8177.8175.60000108.9G138 T142G138-V140 PolarHBondContact O-N 2.97Å; V140-T142 PolarHBondContact O-N 3.38Å
141S33.3Very low38.5Very low104 Ų104120.3 Ų120.373%0.72776%0.757SS**PPolyproline II helixtrans-58116162-176.10000109E143S141-E143 PolarHBondContact O-N 3.4Å
142T35Very low41Very low118 Ų118117 Ų11772%0.72473%0.733SS**  trans-7485177.942.80000110.3V140 T144V140-T142 PolarHBondContact O-N 3.38Å; T142-T144 VanDerWaalsContact C-N 3.27Å; T142-T144 PolarHBondContact O-N 2.81Å
143E32.6Very low43.9Very low153 Ų153111 Ų11172%0.71571%0.71SS**  trans-68.592.4155.4-75.6-99.7143.900107.2S141 F145S141-E143 PolarHBondContact O-N 3.4Å; E143-F145 HydrophobicContact CB-CE2 4.18Å; E143-F145 WeakPolarHBondContact O-CD2 3.23Å; E143-F145 PolarHBondContact O-N 3.14Å
144T31.2Very low47Very low127 Ų127106.7 Ų106.778%0.77969%0.686SS**  trans-68.993.4174.841.50000109.4T142T142-T144 VanDerWaalsContact C-N 3.27Å; T142-T144 PolarHBondContact O-N 2.81Å
145F40.4Very low49.8Very low157 Ų157102.9 Ų102.969%0.68967%0.666SS**  trans-67.5134.8163-71.3-83.9000108.9E143E143-F145 HydrophobicContact CB-CE2 4.18Å; E143-F145 WeakPolarHBondContact O-CD2 3.23Å; E143-F145 PolarHBondContact O-N 3.14Å
146P34.1Very low52.9Low104 Ų104103.3 Ų103.368%0.67566%0.66SS**  trans-60.7139.1176.923.9-31.5000109.7R148P146-R148 PolarHBondContact O-N 2.99Å
147P40.2Very low56.1Low115 Ų115103.2 Ų103.275%0.74764%0.638SS**  trans-61.3113.3-178.822.1-30.5000109.8A149P147-A149 PolarHBondContact O-N 3.28Å
148R52.2Low58.8Low195 Ų195100.3 Ų100.374%0.73661%0.607SS**  trans-80.772.4166.8-75.3-178.5176.3178.2-1.7107.7P146 A150P146-R148 PolarHBondContact O-N 2.99Å; R148-A150 PolarHBondContact O-N 3.18Å
149A50.2Low62Low79 Ų79102.3 Ų102.365%0.65361%0.608SS**  trans-6985170.300000108.5P147P147-A149 PolarHBondContact O-N 3.28Å
150A57.6Low65Low63 Ų63100 Ų10052%0.52159%0.585SS.*PPolyproline II helixtrans-65.7129.4169.400000108.1R148 G152R148-A150 PolarHBondContact O-N 3.18Å; A150-G152 PolarHBondContact O-N 2.9Å
151P72.9Confident68.1Low119 Ų11997.5 Ų97.577%0.77357%0.565SS**PPolyproline II helixtrans-61.7130.1171.224.7-30.1000108.4
152G86.8Confident71Confident28 Ų2898.1 Ų98.129%0.28957%0.567SS.*PPolyproline II helixtrans-60.5164.8174.500000111.7A150 D204A150-G152 PolarHBondContact O-N 2.9Å; G152-D204 CarbonylContact C-O 3.49Å; G152-D204 VanDerWaalsContact CA-O 3.27Å; G152-D204 WeakPolarHBondContact CA-O 3.44Å
153T95.8Very high73.8Confident73 Ų7395.9 Ų95.945%0.44857%0.567SS.*  trans-10822.4-178.661.10000112.7L155 D204T153-L155 PolarHBondContact O-N 2.76Å; T153-D204 PolarHBondContact N-O 2.84Å; T153-D204 WeakPolarHBondContact OG1-CB 3.45Å; T153-D204 PolarHBondContact OG1-N 3.33Å
154L96.3Very high76.9Confident49 Ų4991.1 Ų91.126%0.25755%0.545SS..PPolyproline II helixtrans-58.6134.3178-58.5-175.9000111.1Q203 D204 T205 V220 V222L154-Q203 HydrophobicContact CD2-CB 4Å; L154-D204 WeakPolarHBondContact CD2-O 3.28Å; L154-D204 WeakPolarHBondContact CG-O 3.18Å; L154-D204 PolarHBondContact N-O 3.45Å; L154-T205 HydrophobicContact CD2-CG2 4.45Å; L154-V220 HydrophobicContact CD1-CG1 4.48Å; L154-V220 HydrophobicContact CD1-CG2 3.42Å; L154-V220 VanDerWaalsContact CD1-CG2 3.42Å; L154-V222 HydrophobicContact CD1-CG2 4.46Å; L154-V222 HydrophobicContact CD2-CG1 4.3Å; L154-V222 HydrophobicContact CD2-CG2 3.89Å
155L96.4Very high80Confident65 Ų6585.2 Ų85.234%0.3451%0.509SS..PPolyproline II helixtrans-99.2152-177.3-66.6171.7000110.7T153 P201 Q203 Q225T153-L155 PolarHBondContact O-N 2.76Å; L155-P201 HydrophobicContact CD1-CB 4.23Å; L155-Q203 HydrophobicContact CD1-CG 4.16Å; L155-Q203 HydrophobicContact CG-CG 4.24Å; L155-Q225 HydrophobicContact CB-CG 4.22Å; L155-Q225 HydrophobicContact CD1-CG 3.82Å
156P97.1Very high82.8Confident103 Ų10377.9 Ų77.967%0.66948%0.477SS*.PPolyproline II helixtrans-66.7162.217530.1-35.9000111.3Q225P156-Q225 PolarHBondContact O-NE2 2.97Å
157R97.4Very high85.8Confident103 Ų10373 Ų7339%0.38945%0.445SS..PPolyproline II helixtrans-60.4138173.3-169.1178.2-63.2168.60.3110.7L166 T168 E223 H302R157-L166 HydrophobicContact CG-CD1 3.95Å; R157-T168 PolarHBondContact NH2-OG1 2.84Å; R157-E223 HydrophobicContact CB-CB 4.41Å; R157-E223 HydrophobicContact CB-CG 3.93Å; R157-E223 IonicContact CZ-OE1 3.82Å; R157-E223 IonicContact CZ-OE2 3.76Å; R157-E223 IonicContact NE-OE1 3.65Å; R157-E223 PolarHBondContact NE-OE1 2.92Å; R157-E223 IonicContact NE-OE2 3.64Å; R157-E223 PolarHBondContact NE-OE2 2.94Å; R157-E223 VanDerWaalsContact NE-OE2 3.16Å; R157-E223 IonicContact NH2-OE1 3.08Å; R157-E223 PolarHBondContact NH2-OE1 3.27Å; R157-E223 IonicContact NH2-OE2 2.73Å; R157-H302 VanDerWaalsContact CZ-CD2 3.47Å; R157-H302 PolarHBondContact NH1-CE1 2.79Å; R157-H302 VanDerWaalsContact NH1-CE1 3.27Å; R157-H302 PolarHBondContact NH1-ND1 2.67Å; R157-H302 PolarHBondContact NH1-NE2 3.27Å; R157-H302 PolarHBondContact NH2-NE2 3.08Å
158L96.1Very high88.6Confident51 Ų5167.7 Ų67.727%0.26741%0.411SS..PPolyproline II helixtrans-64156.7172.1-66.8-178.1000111.5L166 Q225L158-L166 HydrophobicContact CB-CD1 4.49Å; L158-L166 HydrophobicContact CB-CD2 3.86Å; L158-L166 HydrophobicContact CD1-CD2 4.35Å; L158-L166 WeakPolarHBondContact O-CD1 3.41Å; L158-Q225 WeakPolarHBondContact CD1-O 3.15Å
159P96.1Very high90.8Very high104 Ų10458.4 Ų58.468%0.67538%0.375SS*.PPolyproline II helixtrans-57.6140.7167.7-22.533.7000111.8H227P159-H227 PolarHBondContact O-NE2 3Å
160S94.7Very high93.1Very high66 Ų6660 Ų6046%0.46237%0.365SS..PPolyproline II helixtrans-62.3144.1170.8-600000110.6
161E94Very high95.1Very high72 Ų7257 Ų5734%0.33634%0.34SS..  trans-121.8138.4171.2-73.5-179.1-151.500108.9G163 M164 H227 K230E161-G163 PolarHBondContact O-N 3.5Å; E161-M164 HydrophobicContact CB-CB 3.93Å; E161-M164 HydrophobicContact CB-CG 3.81Å; E161-M164 WeakPolarHBondContact O-CB 3.44Å; E161-M164 PolarHBondContact O-N 2.88Å; E161-H227 VanDerWaalsContact CD-CE1 3.42Å; E161-H227 IonicContact OE1-CE1 2.82Å; E161-H227 PolarHBondContact OE1-CE1 3.34Å; E161-H227 IonicContact OE1-ND1 3.67Å; E161-H227 IonicContact OE1-NE2 3.55Å; E161-K230 IonicContact OE1-NZ 2.77Å; E161-K230 PolarHBondContact OE1-NZ 3.03Å; E161-K230 WeakPolarHBondContact OE2-CE 3.46Å; E161-K230 IonicContact OE2-NZ 3.42Å; E161-K230 PolarHBondContact OE2-NZ 3.04Å
162P94.3Very high96.3Very high117 Ų11754.4 Ų54.476%0.7632%0.318SS*.THydrogen-bonded Turntrans-55.2129.8178.8-27.635.3000112.5M164P162-M164 PolarHBondContact O-N 3.04Å
163G93.7Very high96.9Very high70 Ų7055.5 Ų55.572%0.72231%0.314SS*.THydrogen-bonded Turntrans73.27.218000000115.3E161E161-G163 PolarHBondContact O-N 3.5Å
164M96.8Very high97Very high53 Ų5352.1 Ų52.126%0.26129%0.293SS..  trans-112.2156.8178.5-61.8-78.1175.100111.3E161 P162 H227 E229 K230E161-M164 HydrophobicContact CB-CB 3.93Å; E161-M164 HydrophobicContact CB-CG 3.81Å; E161-M164 WeakPolarHBondContact O-CB 3.44Å; E161-M164 PolarHBondContact O-N 2.88Å; P162-M164 PolarHBondContact O-N 3.04Å; M164-H227 HydrophobicContact CB-CB 4.05Å; M164-H227 VanDerWaalsContact CB-CD2 3.49Å; M164-H227 WeakPolarHBondContact CB-CD2 3.49Å; M164-H227 HydrophobicContact SD-CB 4.3Å; M164-E229 HydrophobicContact SD-CB 3.75Å; M164-E229 HydrophobicContact SD-CG 4.2Å; M164-K230 HydrophobicContact SD-CG 4.43Å
165T97.7Very high97.1Very high4 Ų449.8 Ų49.83%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-116132.9-178.6-48.50000110.9H227 V228 E229 L301 H302 K303T165-H227 CarbonylContact O-C 3.56Å; T165-H227 VanDerWaalsContact O-CA 3.27Å; T165-H227 WeakPolarHBondContact O-CA 3.47Å; T165-V228 HydrophobicContact CG2-CG2 4.28Å; T165-V228 PolarHBondContact O-N 2.81Å; T165-E229 VanDerWaalsContact CB-OE1 3.24Å; T165-E229 WeakPolarHBondContact CB-OE1 3.25Å; T165-E229 PolarHBondContact N-OE1 2.86Å; T165-E229 PolarHBondContact N-OE2 3.04Å; T165-E229 PolarHBondContact OG1-OE1 3.37Å; T165-L301 HydrophobicContact CG2-CB 3.84Å; T165-L301 HydrophobicContact CG2-CD2 4.07Å; T165-L301 HydrophobicContact CG2-CG 4.14Å; T165-H302 WeakPolarHBondContact CA-O 3.36Å; T165-K303 HydrophobicContact CG2-CG 3.84Å; T165-K303 WeakPolarHBondContact OG1-CE 3.17Å; T165-K303 WeakPolarHBondContact OG1-CG 3.31Å
166L98.2Very high97.2Very high3 Ų346.8 Ų46.82%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-99.8146168-67.5166.8000110.3R157 L158 L301 H302R157-L166 HydrophobicContact CG-CD1 3.95Å; L158-L166 HydrophobicContact CB-CD1 4.49Å; L158-L166 HydrophobicContact CB-CD2 3.86Å; L158-L166 HydrophobicContact CD1-CD2 4.35Å; L158-L166 WeakPolarHBondContact O-CD1 3.41Å; L166-L301 WeakPolarHBondContact O-CA 3.46Å; L166-H302 HydrophobicContact CB-CB 4.19Å; L166-H302 PolarHBondContact N-O 3.3Å; L166-H302 PolarHBondContact O-N 3.33Å
167L98.4Very high97.1Very high0 Ų047.9 Ų47.90%026%0.26CS..EExtended strand (participates in β ladder)trans-115.2122180174.862.7000110.1L169 I224 V228 I237 M259 I264 Q299 L301L167-L169 HydrophobicContact CD1-CD2 4.08Å; L167-L169 HydrophobicContact CD1-CG 4.36Å; L167-L169 HydrophobicContact CD2-CD1 4.3Å; L167-L169 HydrophobicContact CD2-CD2 4.31Å; L167-L169 HydrophobicContact CD2-CG 4.21Å; L167-L169 HydrophobicContact CG-CD2 4.29Å; L167-L169 HydrophobicContact CG-CG 4.08Å; L167-I224 HydrophobicContact CB-CB 4.28Å; L167-I224 HydrophobicContact CB-CG1 4.32Å; L167-I224 HydrophobicContact CD2-CG1 4.07Å; L167-I224 HydrophobicContact CG-CG1 4.13Å; L167-I224 WeakPolarHBondContact O-CB 3.47Å; L167-I224 PolarHBondContact O-N 3Å; L167-V228 HydrophobicContact CB-CG2 4.04Å; L167-I237 HydrophobicContact CD2-CD1 3.72Å; L167-M259 HydrophobicContact CD2-CE 4.4Å; L167-I264 HydrophobicContact CD1-CG2 4.15Å; L167-I264 HydrophobicContact CD2-CD1 4.01Å; L167-I264 HydrophobicContact CD2-CG1 4.14Å; L167-I264 HydrophobicContact CD2-CG2 3.94Å; L167-Q299 HydrophobicContact CD1-CB 4.26Å; L167-L301 HydrophobicContact CD1-CD1 4.32Å
168T98.7Very high97Very high4 Ų445.2 Ų45.23%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-105.9129.6167.1-52.10000108.8R157 D221 E223 T300 H302R157-T168 PolarHBondContact NH2-OG1 2.84Å; T168-D221 HydrophobicContact CG2-CB 3.91Å; T168-E223 WeakPolarHBondContact CB-OE2 3.31Å; T168-E223 VanDerWaalsContact OG1-CD 3.25Å; T168-E223 PolarHBondContact OG1-OE1 3.44Å; T168-E223 PolarHBondContact OG1-OE2 3.49Å; T168-T300 PolarHBondContact N-O 2.81Å; T168-T300 PolarHBondContact O-N 2.63Å; T168-H302 PolarHBondContact OG1-CD2 3.06Å; T168-H302 VanDerWaalsContact OG1-CD2 3.23Å; T168-H302 PolarHBondContact OG1-NE2 3.32Å
169L98.7Very high96.9Very high0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-112.9113.4175.9-69170.7000109.8L167 I171 V222 I224 I237 F239 M259 Q299L167-L169 HydrophobicContact CD1-CD2 4.08Å; L167-L169 HydrophobicContact CD1-CG 4.36Å; L167-L169 HydrophobicContact CD2-CD1 4.3Å; L167-L169 HydrophobicContact CD2-CD2 4.31Å; L167-L169 HydrophobicContact CD2-CG 4.21Å; L167-L169 HydrophobicContact CG-CD2 4.29Å; L167-L169 HydrophobicContact CG-CG 4.08Å; L169-I171 PolarHBondContact O-N 3.37Å; L169-V222 PolarHBondContact N-O 2.94Å; L169-V222 PolarHBondContact O-N 2.9Å; L169-I224 HydrophobicContact CD1-CD1 4.01Å; L169-I224 HydrophobicContact CD1-CG1 4.08Å; L169-I237 HydrophobicContact CD1-CD1 4.07Å; L169-I237 HydrophobicContact CD1-CG2 4.14Å; L169-F239 HydrophobicContact CD1-CE1 4.09Å; L169-F239 HydrophobicContact CD1-CZ 3.68Å; L169-M259 HydrophobicContact CD1-CE 3.97Å; L169-M259 HydrophobicContact CD2-CE 3.98Å; L169-Q299 HydrophobicContact CD2-CB 4.14Å; L169-Q299 HydrophobicContact CD2-CG 3.69Å
170R98.6Very high96.7Very high112 Ų11239.3 Ų39.342%0.42322%0.224SC..EExtended strand (participates in β ladder)trans-84.1115.1169.9-172.9167.9-173.4-1711.7109.4E172 V220 D221 L297 H298R170-E172 PolarHBondContact O-N 2.88Å; R170-V220 CarbonylContact C-O 3.54Å; R170-V220 WeakPolarHBondContact CA-O 3.14Å; R170-D221 WeakPolarHBondContact CB-OD1 3.38Å; R170-D221 WeakPolarHBondContact CD-OD1 3.35Å; R170-D221 WeakPolarHBondContact CG-OD1 3.43Å; R170-L297 CarbonylContact O-C 3.58Å; R170-L297 VanDerWaalsContact O-CA 3.25Å; R170-L297 WeakPolarHBondContact O-CA 3.24Å; R170-H298 HydrophobicContact CB-CB 4.11Å; R170-H298 PolarHBondContact N-O 2.6Å; R170-H298 PolarHBondContact O-N 3.03Å
171I98.6Very high96.7Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-80.6107.6170.9-58.7156.8000107L169 M187 I189 T205 F218 S219 V220 V222 L295 L297L169-I171 PolarHBondContact O-N 3.37Å; I171-M187 HydrophobicContact CB-CE 4.02Å; I171-M187 HydrophobicContact CD1-CE 3.21Å; I171-M187 HydrophobicContact CG1-CE 3.45Å; I171-M187 VanDerWaalsContact CG1-CE 3.45Å; I171-M187 HydrophobicContact CG2-CE 3.36Å; I171-I189 HydrophobicContact CD1-CD1 3.93Å; I171-I189 HydrophobicContact CD1-CG1 4.25Å; I171-T205 HydrophobicContact CD1-CG2 3.64Å; I171-F218 HydrophobicContact CB-CB 4.16Å; I171-F218 HydrophobicContact CG2-CB 3.67Å; I171-F218 HydrophobicContact CG2-CD2 3.91Å; I171-F218 HydrophobicContact CG2-CG 3.8Å; I171-S219 VanDerWaalsContact O-CA 3.23Å; I171-S219 WeakPolarHBondContact O-CA 3.5Å; I171-S219 PolarHBondContact O-N 3Å; I171-V220 HydrophobicContact CB-CG1 4.28Å; I171-V220 HydrophobicContact CD1-CG1 4.14Å; I171-V220 PolarHBondContact N-O 2.82Å; I171-V220 PolarHBondContact O-N 2.99Å; I171-V222 HydrophobicContact CD1-CG2 3.45Å; I171-V222 VanDerWaalsContact CD1-CG2 3.45Å; I171-V222 HydrophobicContact CG1-CG2 4.28Å; I171-L295 HydrophobicContact CG2-CD1 4.21Å; I171-L297 HydrophobicContact CB-CD2 4.24Å; I171-L297 HydrophobicContact CG1-CD2 3.85Å; I171-L297 HydrophobicContact CG2-CD2 4.4Å
172E98.4Very high96.7Very high66 Ų6640 Ų4031%0.30822%0.22SC..EExtended strand (participates in β ladder)trans-78.8-63.9-178.9-60.3-173154.300109.9R170 F218 S219 H296R170-E172 PolarHBondContact O-N 2.88Å; E172-F218 PolarHBondContact O-N 2.89Å; E172-S219 PolarHBondContact O-N 2.83Å; E172-S219 VanDerWaalsContact O-N 3.12Å; E172-H296 HydrophobicContact CB-CB 4.11Å; E172-H296 PolarHBondContact N-O 3.37Å
173K98.5Very high96.7Very high51 Ų5137.6 Ų37.622%0.22220%0.2CC..EExtended strand (participates in β ladder)trans-160.1162.8-177.163.3-178.4-176.7172.80111.7Y215 I216 H296K173-Y215 HydrophobicContact CD-CD1 3.69Å; K173-Y215 HydrophobicContact CD-CE1 4.15Å; K173-Y215 HydrophobicContact CD-CG 4.21Å; K173-Y215 HydrophobicContact CG-CD1 4.11Å; K173-I216 CarbonylContact C-O 3.49Å; K173-I216 WeakPolarHBondContact CA-O 3.41Å; K173-I216 VanDerWaalsContact CB-O 3.31Å; K173-I216 WeakPolarHBondContact CB-O 2.93Å; K173-H296 HydrophobicContact CG-CB 3.97Å; K173-H296 PolarHBondContact O-N 2.99Å
174I98.8Very high96.7Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-122.4134.5171.2-169.9174.9000110L176 Y215 I216 F218 F241 L273 L295I174-L176 HydrophobicContact CD1-CD2 4.46Å; I174-L176 HydrophobicContact CD1-CG 4.47Å; I174-L176 HydrophobicContact CG1-CG 4.36Å; I174-L176 HydrophobicContact CG2-CD1 4.46Å; I174-Y215 WeakPolarHBondContact O-CA 3.36Å; I174-I216 HydrophobicContact CG2-CB 3.95Å; I174-I216 PolarHBondContact N-O 2.92Å; I174-I216 PolarHBondContact O-N 2.83Å; I174-F218 HydrophobicContact CG2-CE2 3.78Å; I174-F241 HydrophobicContact CD1-CB 3.81Å; I174-F241 HydrophobicContact CD1-CD2 3.87Å; I174-F241 HydrophobicContact CD1-CG 3.96Å; I174-F241 HydrophobicContact CG2-CD2 3.92Å; I174-F241 HydrophobicContact CG2-CE2 3.94Å; I174-L273 HydrophobicContact CD1-CD1 3.99Å; I174-L273 HydrophobicContact CD1-CD2 3.76Å; I174-L273 HydrophobicContact CG1-CD1 3.88Å; I174-L273 HydrophobicContact CG1-CD2 4.14Å; I174-L295 HydrophobicContact CB-CD1 4.1Å; I174-L295 HydrophobicContact CG1-CD1 4.35Å
175G98.5Very high96.7Very high0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-90.5126.117400000111.6T214 L273 Y294G175-T214 CarbonylContact C-O 3.59Å; G175-T214 VanDerWaalsContact CA-O 3.28Å; G175-T214 WeakPolarHBondContact CA-O 3.28Å; G175-L273 WeakPolarHBondContact O-CD1 3.31Å; G175-Y294 PolarHBondContact N-O 2.85Å
176L97.9Very high96.7Very high2 Ų236.2 Ų36.21%0.0117%0.174CC..  trans-140.6146.8176.7-65170.7000109.3I174 D178 A179 T214 I216 F241 K254 L273 L288I174-L176 HydrophobicContact CD1-CD2 4.46Å; I174-L176 HydrophobicContact CD1-CG 4.47Å; I174-L176 HydrophobicContact CG1-CG 4.36Å; I174-L176 HydrophobicContact CG2-CD1 4.46Å; L176-D178 PolarHBondContact O-N 3.47Å; L176-A179 HydrophobicContact CB-CB 4.12Å; L176-T214 PolarHBondContact N-O 3.07Å; L176-T214 CarbonylContact O-C 3.43Å; L176-T214 WeakPolarHBondContact O-CA 3.4Å; L176-T214 VanDerWaalsContact O-O 3.05Å; L176-I216 HydrophobicContact CD1-CD1 4.38Å; L176-F241 HydrophobicContact CD1-CD1 4.01Å; L176-F241 HydrophobicContact CD1-CD2 4.5Å; L176-F241 HydrophobicContact CD1-CE1 3.64Å; L176-F241 HydrophobicContact CD1-CE2 4.17Å; L176-F241 HydrophobicContact CD1-CG 4.41Å; L176-F241 HydrophobicContact CD1-CZ 3.72Å; L176-K254 HydrophobicContact CD1-CD 4.21Å; L176-L273 HydrophobicContact CD2-CD1 3.66Å; L176-L288 HydrophobicContact CD2-CD2 3.66Å
177K96.1Very high96.7Very high126 Ų12636.1 Ų36.155%0.54817%0.174SC..THydrogen-bonded Turntrans-61-30.3178-68.8-175.3-178.6-178.60112.4T289 K291 L293K177-T289 VanDerWaalsContact CE-OG1 3.3Å; K177-T289 WeakPolarHBondContact CE-OG1 3.48Å; K177-K291 HydrophobicContact CG-CD 4.41Å; K177-L293 HydrophobicContact CG-CD1 3.91Å
178D93.9Very high96.7Very high47 Ų4736.1 Ų36.125%0.25117%0.174SC..THydrogen-bonded Turntrans-124.335.3-17362-39.9000111.8L176 G180 Q181 K254L176-D178 PolarHBondContact O-N 3.47Å; D178-G180 VanDerWaalsContact C-N 3.33Å; D178-G180 PolarHBondContact O-N 3.41Å; D178-Q181 HydrophobicContact CB-CG 4.47Å; D178-Q181 PolarHBondContact O-N 3.16Å; D178-Q181 VanDerWaalsContact O-N 3.14Å; D178-K254 WeakPolarHBondContact OD1-CE 3.14Å; D178-K254 IonicContact OD1-NZ 3.71Å; D178-K254 PolarHBondContact OD1-NZ 3.49Å; D178-K254 IonicContact OD2-NZ 2.81Å; D178-K254 PolarHBondContact OD2-NZ 3.09Å
179A94.8Very high96.6Very high0 Ų036 Ų360%017%0.173CC..G310 helixtrans-52.2-47.7-178.100000112.7L176 Q181 C182 D213 I216L176-A179 HydrophobicContact CB-CB 4.12Å; A179-Q181 PolarHBondContact O-N 3.36Å; A179-Q181 VanDerWaalsContact O-N 3.15Å; A179-C182 WeakPolarHBondContact O-CB 3.42Å; A179-C182 PolarHBondContact O-N 3.39Å; A179-C182 VanDerWaalsContact O-N 3.1Å; A179-D213 PolarHBondContact N-O 3.24Å; A179-I216 HydrophobicContact CB-CD1 4.25Å; A179-I216 HydrophobicContact CB-CG1 3.78Å
180G92.3Very high96.6Very high32 Ų3236 Ų3633%0.3317%0.173SC..G310 helixtrans-58.7-29.8-178.400000114.1D178 C182 K211 E212 D213D178-G180 VanDerWaalsContact C-N 3.33Å; D178-G180 PolarHBondContact O-N 3.41Å; G180-C182 VanDerWaalsContact C-N 3.33Å; G180-C182 PolarHBondContact O-N 2.97Å; G180-K211 PolarHBondContact O-NZ 3.23Å; G180-E212 PolarHBondContact N-O 2.68Å; G180-D213 PolarHBondContact N-O 2.97Å
181Q93.1Very high96.6Very high151 Ų15131 Ų3171%0.70615%0.154SC*.G310 helixtrans-80.5-11.9-177.7-55.5-175.92100113.4D178 A179 I183D178-Q181 HydrophobicContact CB-CG 4.47Å; D178-Q181 PolarHBondContact O-N 3.16Å; D178-Q181 VanDerWaalsContact O-N 3.14Å; A179-Q181 PolarHBondContact O-N 3.36Å; A179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-I183 PolarHBondContact O-N 2.95Å
182C94.2Very high96.5Very high0 Ų031.5 Ų31.50%016%0.157CC..  trans-72.7123.1179.2-63.40000110.5A179 G180 P185 K211 I216 F241 H243A179-C182 WeakPolarHBondContact O-CB 3.42Å; A179-C182 PolarHBondContact O-N 3.39Å; A179-C182 VanDerWaalsContact O-N 3.1Å; G180-C182 VanDerWaalsContact C-N 3.33Å; G180-C182 PolarHBondContact O-N 2.97Å; C182-P185 HydrophobicContact CB-CB 4.22Å; C182-K211 PolarHBondContact O-NZ 3.03Å; C182-I216 HydrophobicContact CB-CD1 3.91Å; C182-F241 HydrophobicContact CB-CE1 4.32Å; C182-F241 HydrophobicContact CB-CZ 3.96Å; C182-H243 HydrophobicContact CB-CB 4.06Å; C182-H243 PolarHBondContact SG-ND1 3.43Å; C182-H243 VanDerWaalsContact SG-ND1 3.38Å
183I94.5Very high96.4Very high68 Ų6829.8 Ų29.835%0.34915%0.15SC..EExtended strand (participates in β ladder)trans-96.4135.1-179.8-62.5165.6000108.8Q181 P185 Y244 P246Q181-I183 PolarHBondContact O-N 2.95Å; I183-P185 VanDerWaalsContact C-N 3.35Å; I183-Y244 HydrophobicContact CG2-CD1 4.24Å; I183-Y244 PolarHBondContact O-N 3.02Å; I183-P246 HydrophobicContact CD1-CG 3.29Å
184D94.9Very high96.2Very high50 Ų5031.3 Ų31.327%0.26716%0.163SC..EExtended strand (participates in β ladder)trans41.954.7-175.6-59.8-18.6000113.5V207D184-V207 HydrophobicContact CB-CG1 4.04Å; D184-V207 HydrophobicContact CB-CG2 4.29Å
185P96.6Very high96Very high3 Ų335.9 Ų35.92%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-70.2135-175.930.6-34.8000111C182 I183 V207 A208 K211 I216 F241 K242C182-P185 HydrophobicContact CB-CB 4.22Å; I183-P185 VanDerWaalsContact C-N 3.35Å; P185-V207 CarbonylContact O-C 3.59Å; P185-V207 WeakPolarHBondContact O-CA 3.23Å; P185-A208 HydrophobicContact CG-CB 4.29Å; P185-A208 WeakPolarHBondContact CG-O 3.39Å; P185-A208 PolarHBondContact O-N 3.06Å; P185-K211 HydrophobicContact CG-CD 4.15Å; P185-I216 HydrophobicContact CB-CD1 3.9Å; P185-I216 HydrophobicContact CB-CG2 4.43Å; P185-I216 HydrophobicContact CG-CD1 4.05Å; P185-I216 HydrophobicContact CG-CG2 4.01Å; P185-F241 HydrophobicContact CB-CE2 3.68Å; P185-F241 HydrophobicContact CB-CZ 3.53Å; P185-K242 WeakPolarHBondContact CA-O 3.36Å
186Y97.5Very high95.6Very high45 Ų4536.5 Ų36.518%0.17619%0.194CC..EExtended strand (participates in β ladder)trans-143.6174170.371.8-82.9000110.2D204 K242 T251Y186-D204 HydrophobicContact CD2-CB 4.1Å; Y186-D204 HydrophobicContact CE2-CB 4.16Å; Y186-K242 HydrophobicContact CD1-CB 4.1Å; Y186-K242 HydrophobicContact CD2-CB 4.47Å; Y186-K242 HydrophobicContact CE1-CB 3.67Å; Y186-K242 HydrophobicContact CE2-CB 4.08Å; Y186-K242 HydrophobicContact CE2-CD 3.8Å; Y186-K242 HydrophobicContact CE2-CG 4.48Å; Y186-K242 HydrophobicContact CG-CB 4.49Å; Y186-K242 PolarHBondContact N-O 2.94Å; Y186-K242 PolarHBondContact O-N 3.05Å; Y186-K242 WeakPolarHBondContact OH-CD 3.18Å; Y186-T251 HydrophobicContact CE1-CG2 3.53Å; Y186-T251 WeakPolarHBondContact OH-CG2 3.31Å
187M97.8Very high95.4Very high1 Ų140.4 Ų40.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-124.4135.3176.6-164.8149.867.700111.2I171 I189 D204 T205 F218 F239 E240 L295I171-M187 HydrophobicContact CB-CE 4.02Å; I171-M187 HydrophobicContact CD1-CE 3.21Å; I171-M187 HydrophobicContact CG1-CE 3.45Å; I171-M187 VanDerWaalsContact CG1-CE 3.45Å; I171-M187 HydrophobicContact CG2-CE 3.36Å; M187-I189 HydrophobicContact CB-CD1 4.48Å; M187-I189 HydrophobicContact CG-CD1 4.49Å; M187-D204 WeakPolarHBondContact O-CA 3.4Å; M187-T205 HydrophobicContact CB-CG2 4.07Å; M187-T205 PolarHBondContact N-OG1 3.11Å; M187-T205 PolarHBondContact O-N 3.41Å; M187-F218 HydrophobicContact CB-CE1 4.14Å; M187-F218 HydrophobicContact CB-CZ 4.32Å; M187-F239 HydrophobicContact CE-CB 4.28Å; M187-F239 HydrophobicContact CE-CD1 3.85Å; M187-F239 HydrophobicContact CE-CG 4.48Å; M187-F239 HydrophobicContact CG-CB 4.27Å; M187-F239 HydrophobicContact SD-CB 3.69Å; M187-F239 HydrophobicContact SD-CD1 4.37Å; M187-F239 HydrophobicContact SD-CG 4.48Å; M187-E240 WeakPolarHBondContact CA-O 3.35Å; M187-E240 WeakPolarHBondContact CG-O 3.41Å; M187-L295 HydrophobicContact CE-CD1 3.93Å; M187-L295 HydrophobicContact CE-CD2 4.29Å; M187-L295 HydrophobicContact SD-CD1 4.1Å; M187-L295 HydrophobicContact SD-CD2 4.22Å
188S97.5Very high95.3Very high0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-96.8128.3168.7-620000109.7Q203 D204 E240 K242S188-Q203 CarbonylContact C-O 3.53Å; S188-D204 WeakPolarHBondContact CA-OD1 3.32Å; S188-D204 WeakPolarHBondContact CB-OD1 3.23Å; S188-D204 PolarHBondContact OG-OD1 3.18Å; S188-E240 PolarHBondContact N-O 3.02Å; S188-E240 PolarHBondContact O-N 3.34Å; S188-K242 WeakPolarHBondContact OG-CD 3.19Å; S188-K242 WeakPolarHBondContact OG-CE 3.27Å; S188-K242 PolarHBondContact OG-NZ 2.98Å
189I98.3Very high95.3Very high1 Ų137.6 Ų37.61%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-111.1124.9179.2-55.586.9000108.2I171 M187 M202 Q203 T205 V222 I224 I237 F238 F239I171-I189 HydrophobicContact CD1-CD1 3.93Å; I171-I189 HydrophobicContact CD1-CG1 4.25Å; M187-I189 HydrophobicContact CB-CD1 4.48Å; M187-I189 HydrophobicContact CG-CD1 4.49Å; I189-M202 WeakPolarHBondContact O-CA 3.05Å; I189-Q203 WeakPolarHBondContact CD1-O 3.28Å; I189-Q203 PolarHBondContact N-O 3.13Å; I189-Q203 PolarHBondContact O-N 2.92Å; I189-T205 HydrophobicContact CD1-CG2 3.73Å; I189-V222 HydrophobicContact CB-CG1 4.2Å; I189-V222 HydrophobicContact CD1-CG1 4.3Å; I189-V222 HydrophobicContact CD1-CG2 3.92Å; I189-V222 HydrophobicContact CG1-CG1 4.16Å; I189-V222 HydrophobicContact CG1-CG2 4.3Å; I189-V222 HydrophobicContact CG2-CG1 4.16Å; I189-I224 HydrophobicContact CG2-CD1 4.37Å; I189-I237 HydrophobicContact CG2-CG2 3.96Å; I189-F238 VanDerWaalsContact CA-O 3.31Å; I189-F238 WeakPolarHBondContact CA-O 3.36Å; I189-F239 HydrophobicContact CG1-CD1 3.97Å; I189-F239 HydrophobicContact CG1-CE1 4.33Å; I189-F239 HydrophobicContact CG2-CD1 4.43Å; I189-F239 HydrophobicContact CG2-CE1 4.31Å
190S97.6Very high95.2Very high1 Ų138.4 Ų38.41%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-135.7151.5176.857.10000110.8K192 I237 F238S190-K192 WeakPolarHBondContact OG-CE 3.5Å; S190-I237 CarbonylContact O-C 3.45Å; S190-I237 WeakPolarHBondContact O-CA 3.48Å; S190-F238 PolarHBondContact N-O 3.29Å; S190-F238 VanDerWaalsContact N-O 3.09Å; S190-F238 PolarHBondContact O-N 2.96Å
191V98.1Very high95.2Very high5 Ų540.9 Ų40.93%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-112.2118.7174.2-169.60000107.4L199 N200 I224 L231 A236 I237V191-L199 HydrophobicContact CB-CB 4.48Å; V191-L199 HydrophobicContact CG1-CB 4.38Å; V191-L199 HydrophobicContact CG1-CD1 4.23Å; V191-L199 PolarHBondContact O-N 3.32Å; V191-N200 HydrophobicContact CB-CB 4.12Å; V191-N200 HydrophobicContact CG2-CB 4.16Å; V191-I224 HydrophobicContact CG2-CD1 4.29Å; V191-I224 HydrophobicContact CG2-CG2 4.15Å; V191-L231 HydrophobicContact CG1-CD2 3.56Å; V191-A236 WeakPolarHBondContact CA-O 3.42Å; V191-I237 HydrophobicContact CG1-CG1 4.42Å; V191-I237 HydrophobicContact CG2-CG1 4.26Å
192K97.3Very high95.2Very high11 Ų1137.9 Ų37.95%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-116.1147.1-173.5-55.3-77.2-169.6-173.40110.6S190 V197 D198 A235 A236 F238 F280S190-K192 WeakPolarHBondContact OG-CE 3.5Å; K192-V197 CarbonylContact C-O 3.59Å; K192-V197 VanDerWaalsContact CA-O 3.27Å; K192-V197 WeakPolarHBondContact CA-O 3.47Å; K192-D198 WeakPolarHBondContact CD-OD1 3.32Å; K192-D198 WeakPolarHBondContact CE-OD1 3.38Å; K192-D198 IonicContact NZ-OD1 2.79Å; K192-D198 PolarHBondContact NZ-OD1 2.89Å; K192-D198 IonicContact NZ-OD2 2.67Å; K192-D198 PolarHBondContact NZ-OD2 2.92Å; K192-A235 CarbonylContact O-C 3.54Å; K192-A235 WeakPolarHBondContact O-CA 3.23Å; K192-A236 PolarHBondContact N-O 3.38Å; K192-A236 PolarHBondContact O-N 3.04Å; K192-F238 HydrophobicContact CB-CD2 3.89Å; K192-F238 HydrophobicContact CB-CE2 3.75Å; K192-F238 HydrophobicContact CG-CD2 3.54Å; K192-F238 HydrophobicContact CG-CE2 3.82Å; K192-F238 HydrophobicContact CG-CG 4.34Å; K192-F280 HydrophobicContact CD-CD1 4.03Å; K192-F280 HydrophobicContact CD-CE1 4.44Å; K192-F280 HydrophobicContact CD-CG 4.24Å; K192-F280 VanDerWaalsContact CE-CD1 3.42Å; K192-F280 HydrophobicContact CG-CB 4.4Å; K192-F280 HydrophobicContact CG-CD1 3.8Å; K192-F280 HydrophobicContact CG-CE1 4.41Å; K192-F280 HydrophobicContact CG-CG 4.3Å
193D95.8Very high95.4Very high31 Ų3138.1 Ų38.117%0.16621%0.211CC..  trans-78-177169.280.9-7.5000112.4N195 G196 V197 L199D193-N195 PolarHBondContact O-N 2.73Å; D193-N195 VanDerWaalsContact O-N 3.14Å; D193-N195 VanDerWaalsContact OD1-CA 3.28Å; D193-N195 WeakPolarHBondContact OD1-CA 3.48Å; D193-N195 WeakPolarHBondContact OD1-CB 3.15Å; D193-N195 PolarHBondContact OD1-N 2.72Å; D193-G196 PolarHBondContact O-N 3.23Å; D193-G196 PolarHBondContact OD1-N 2.8Å; D193-V197 PolarHBondContact N-O 2.87Å; D193-V197 WeakPolarHBondContact OD1-CB 3.36Å; D193-V197 PolarHBondContact OD1-N 3.11Å; D193-L199 HydrophobicContact CB-CD1 4.16Å; D193-L199 HydrophobicContact CB-CD2 4.08Å; D193-L199 HydrophobicContact CB-CG 4.12Å
194V95.4Very high95.5Very high83 Ų8336.4 Ų36.450%0.50320%0.203SC..THydrogen-bonded Turntrans-60.3-22.6178.170.70000113.8
195N93.1Very high95.6Very high96 Ų9634.2 Ų34.251%0.51319%0.191SC..THydrogen-bonded Turntrans-93.9-1.4179.6-61.4-57.5000112.7D193 V197 K281D193-N195 PolarHBondContact O-N 2.73Å; D193-N195 VanDerWaalsContact O-N 3.14Å; D193-N195 VanDerWaalsContact OD1-CA 3.28Å; D193-N195 WeakPolarHBondContact OD1-CA 3.48Å; D193-N195 WeakPolarHBondContact OD1-CB 3.15Å; D193-N195 PolarHBondContact OD1-N 2.72Å; N195-V197 HydrophobicContact CB-CG2 4.2Å; N195-K281 WeakPolarHBondContact O-CE 3.5Å
196G91.3Very high95.6Very high14 Ų1436.9 Ų36.914%0.14421%0.208CC..SBendtrans79.122.8-176.500000113.5D193D193-G196 PolarHBondContact O-N 3.23Å; D193-G196 PolarHBondContact OD1-N 2.8Å
197V93.2Very high95.5Very high83 Ų8336.1 Ų36.150%0.50321%0.209SC..  trans-92.6136.7177.3-178.20000109.8K192 D193 N195 L199K192-V197 CarbonylContact C-O 3.59Å; K192-V197 VanDerWaalsContact CA-O 3.27Å; K192-V197 WeakPolarHBondContact CA-O 3.47Å; D193-V197 PolarHBondContact N-O 2.87Å; D193-V197 WeakPolarHBondContact OD1-CB 3.36Å; D193-V197 PolarHBondContact OD1-N 3.11Å; N195-V197 HydrophobicContact CB-CG2 4.2Å; V197-L199 PolarHBondContact O-N 2.86Å
198D93.1Very high95.4Very high78 Ų7836.5 Ų36.542%0.41721%0.212SC..BIsolated β-bridgetrans-61.7127.1177.2-70-65.9000112.2K192K192-D198 WeakPolarHBondContact CD-OD1 3.32Å; K192-D198 WeakPolarHBondContact CE-OD1 3.38Å; K192-D198 IonicContact NZ-OD1 2.79Å; K192-D198 PolarHBondContact NZ-OD1 2.89Å; K192-D198 IonicContact NZ-OD2 2.67Å; K192-D198 PolarHBondContact NZ-OD2 2.92Å
199L95.4Very high95.1Very high37 Ų3742.5 Ų42.519%0.19425%0.249CC..SBendtrans-93.3-15.9171.6-67173.3000112V191 D193 V197 R226 L231 P232 A235V191-L199 HydrophobicContact CB-CB 4.48Å; V191-L199 HydrophobicContact CG1-CB 4.38Å; V191-L199 HydrophobicContact CG1-CD1 4.23Å; V191-L199 PolarHBondContact O-N 3.32Å; D193-L199 HydrophobicContact CB-CD1 4.16Å; D193-L199 HydrophobicContact CB-CD2 4.08Å; D193-L199 HydrophobicContact CB-CG 4.12Å; V197-L199 PolarHBondContact O-N 2.86Å; L199-R226 PolarHBondContact O-NH2 3.28Å; L199-L231 HydrophobicContact CD1-CD2 4.13Å; L199-P232 HydrophobicContact CD1-CG 3.66Å; L199-P232 HydrophobicContact CD2-CG 4.19Å; L199-A235 HydrophobicContact CD1-CB 3.89Å
200N92.1Very high95Very high17 Ų1749.6 Ų49.69%0.09128%0.275CS..SBendtrans-146.7154.9-169.7-74.991.4000110.6V191 M202 Q225 R226V191-N200 HydrophobicContact CB-CB 4.12Å; V191-N200 HydrophobicContact CG2-CB 4.16Å; N200-M202 PolarHBondContact O-N 2.97Å; N200-Q225 WeakPolarHBondContact ND2-CB 3.49Å; N200-Q225 PolarHBondContact ND2-O 3.43Å; N200-R226 PolarHBondContact OD1-NE 2.84Å
201P92Very high94.8Very high83 Ų8353.5 Ų53.554%0.53929%0.292SS..  trans-56.2133.1167.9-21.933.3000110.6L155L155-P201 HydrophobicContact CD1-CB 4.23Å
202M94.4Very high94.6Very high88 Ų8857.7 Ų57.743%0.43331%0.312SS..  trans-65.3141172.1-175.8178.373.600109.7I189 N200I189-M202 WeakPolarHBondContact O-CA 3.05Å; N200-M202 PolarHBondContact O-N 2.97Å
203Q97.2Very high94.3Very high5 Ų563.9 Ų63.92%0.02335%0.345CS..EExtended strand (participates in β ladder)trans-122.9132.6-179.9-65.2179.381.100109.9L154 L155 S188 I189 E223L154-Q203 HydrophobicContact CD2-CB 4Å; L155-Q203 HydrophobicContact CD1-CG 4.16Å; L155-Q203 HydrophobicContact CG-CG 4.24Å; S188-Q203 CarbonylContact C-O 3.53Å; I189-Q203 WeakPolarHBondContact CD1-O 3.28Å; I189-Q203 PolarHBondContact N-O 3.13Å; I189-Q203 PolarHBondContact O-N 2.92Å; Q203-E223 PolarHBondContact NE2-O 3.42Å
204D97.2Very high94.4Very high32 Ų3265.1 Ų65.117%0.17135%0.354CS..EExtended strand (participates in β ladder)trans-107131.8177.2-68.1-29.6000110G152 T153 L154 Y186 M187 S188G152-D204 CarbonylContact C-O 3.49Å; G152-D204 VanDerWaalsContact CA-O 3.27Å; G152-D204 WeakPolarHBondContact CA-O 3.44Å; T153-D204 PolarHBondContact N-O 2.84Å; T153-D204 WeakPolarHBondContact OG1-CB 3.45Å; T153-D204 PolarHBondContact OG1-N 3.33Å; L154-D204 WeakPolarHBondContact CD2-O 3.28Å; L154-D204 WeakPolarHBondContact CG-O 3.18Å; L154-D204 PolarHBondContact N-O 3.45Å; Y186-D204 HydrophobicContact CD2-CB 4.1Å; Y186-D204 HydrophobicContact CE2-CB 4.16Å; M187-D204 WeakPolarHBondContact O-CA 3.4Å; S188-D204 WeakPolarHBondContact CA-OD1 3.32Å; S188-D204 WeakPolarHBondContact CB-OD1 3.23Å; S188-D204 PolarHBondContact OG-OD1 3.18Å
205T97.8Very high94.5Very high4 Ų463.2 Ų63.23%0.02534%0.338CS..PPolyproline II helixtrans-65.6157.2169.570.20000110.2L154 I171 M187 I189 F218 V220L154-T205 HydrophobicContact CD2-CG2 4.45Å; I171-T205 HydrophobicContact CD1-CG2 3.64Å; M187-T205 HydrophobicContact CB-CG2 4.07Å; M187-T205 PolarHBondContact N-OG1 3.11Å; M187-T205 PolarHBondContact O-N 3.41Å; I189-T205 HydrophobicContact CD1-CG2 3.73Å; T205-F218 HydrophobicContact CG2-CD1 4.3Å; T205-F218 WeakPolarHBondContact OG1-CE1 3.4Å; T205-V220 HydrophobicContact CG2-CG1 3.75Å
206P95.9Very high94.8Very high59 Ų5958.7 Ų58.738%0.38331%0.314SS..PPolyproline II helixtrans-55.4159.8159.4-2233.9000111.4A208P206-A208 PolarHBondContact O-N 2.91Å
207V95.6Very high95.1Very high30 Ų3059.5 Ų59.518%0.18231%0.313CS..PPolyproline II helixtrans-62.2126.2172.2173.60000109.9D184 P185D184-V207 HydrophobicContact CB-CG1 4.04Å; D184-V207 HydrophobicContact CB-CG2 4.29Å; P185-V207 CarbonylContact O-C 3.59Å; P185-V207 WeakPolarHBondContact O-CA 3.23Å
208A95.6Very high95.3Very high8 Ų856.7 Ų56.77%0.06630%0.295CS..PPolyproline II helixtrans-76.9123.6176.300000110.7P185 P206 I216 F218P185-A208 HydrophobicContact CG-CB 4.29Å; P185-A208 WeakPolarHBondContact CG-O 3.39Å; P185-A208 PolarHBondContact O-N 3.06Å; P206-A208 PolarHBondContact O-N 2.91Å; A208-I216 HydrophobicContact CB-CG2 3.51Å; A208-F218 HydrophobicContact CB-CD1 3.91Å; A208-F218 HydrophobicContact CB-CD2 4.46Å; A208-F218 HydrophobicContact CB-CE1 3.85Å; A208-F218 HydrophobicContact CB-CE2 4.39Å; A208-F218 HydrophobicContact CB-CG 4.22Å; A208-F218 HydrophobicContact CB-CZ 4.1Å
209T91.5Very high95.4Very high127 Ų12755.5 Ų55.578%0.77929%0.293SS*.  trans-97.4-24-178.455.10000113K211T209-K211 PolarHBondContact O-N 3.28Å
210R95Very high95.5Very high149 Ų14955.2 Ų55.256%0.56229%0.292SS*.EExtended strand (participates in β ladder)trans-86.7102.1-178.6-68.3-17966-156.3-2.5110.3H217R210-H217 HydrophobicContact CB-CB 4.01Å; R210-H217 PolarHBondContact O-N 3.18Å
211K94.1Very high95.8Very high84 Ų8458.4 Ų58.437%0.36531%0.309SS..EExtended strand (participates in β ladder)trans-120.6142180-58.4-171.7-69.7166.80111.3G180 C182 P185 T209 I216G180-K211 PolarHBondContact O-NZ 3.23Å; C182-K211 PolarHBondContact O-NZ 3.03Å; P185-K211 HydrophobicContact CG-CD 4.15Å; T209-K211 PolarHBondContact O-N 3.28Å; K211-I216 HydrophobicContact CG-CG1 4.19Å; K211-I216 HydrophobicContact CG-CG2 4.3Å
212E94Very high96.1Very high93 Ų9354.5 Ų54.544%0.43528%0.284SS..  trans-119.6177.8168.7-65.7170.1-164.200108.4G180 T214 Y215 H217G180-E212 PolarHBondContact N-O 2.68Å; E212-T214 VanDerWaalsContact C-N 3.26Å; E212-T214 PolarHBondContact O-N 3.04Å; E212-Y215 PolarHBondContact N-O 3.12Å; E212-H217 VanDerWaalsContact CD-NE2 3.29Å; E212-H217 IonicContact OE1-CD2 3.58Å; E212-H217 IonicContact OE1-CE1 2.69Å; E212-H217 IonicContact OE1-NE2 3.65Å; E212-H217 PolarHBondContact OE1-NE2 2.9Å; E212-H217 IonicContact OE2-NE2 3.36Å
213D91.6Very high96.3Very high140 Ų14051.4 Ų51.475%0.74927%0.268SS*.SBendtrans-56.9-42.3-180-67.3-15.7000112.2A179 G180A179-D213 PolarHBondContact N-O 3.24Å; G180-D213 PolarHBondContact N-O 2.97Å
214T96.6Very high96.4Very high57 Ų5751.4 Ų51.435%0.3527%0.268SS..SBendtrans-120-1.2-174.456.70000115G175 L176 E212G175-T214 CarbonylContact C-O 3.59Å; G175-T214 VanDerWaalsContact CA-O 3.28Å; G175-T214 WeakPolarHBondContact CA-O 3.28Å; L176-T214 PolarHBondContact N-O 3.07Å; L176-T214 CarbonylContact O-C 3.43Å; L176-T214 WeakPolarHBondContact O-CA 3.4Å; L176-T214 VanDerWaalsContact O-O 3.05Å; E212-T214 VanDerWaalsContact C-N 3.26Å; E212-T214 PolarHBondContact O-N 3.04Å
215Y98Very high96.4Very high44 Ų4451.3 Ų51.317%0.17327%0.267CS..EExtended strand (participates in β ladder)trans-134.3146.2-179.8-71-79.2000113.1K173 I174 E212K173-Y215 HydrophobicContact CD-CD1 3.69Å; K173-Y215 HydrophobicContact CD-CE1 4.15Å; K173-Y215 HydrophobicContact CD-CG 4.21Å; K173-Y215 HydrophobicContact CG-CD1 4.11Å; I174-Y215 WeakPolarHBondContact O-CA 3.36Å; E212-Y215 PolarHBondContact N-O 3.12Å
216I98.4Very high96.3Very high0 Ų054.9 Ų54.90%028%0.28CS..EExtended strand (participates in β ladder)trans-120.6124.2167.4-56.4171.9000107.2K173 I174 L176 A179 C182 P185 A208 K211 F218 F241K173-I216 CarbonylContact C-O 3.49Å; K173-I216 WeakPolarHBondContact CA-O 3.41Å; K173-I216 VanDerWaalsContact CB-O 3.31Å; K173-I216 WeakPolarHBondContact CB-O 2.93Å; I174-I216 HydrophobicContact CG2-CB 3.95Å; I174-I216 PolarHBondContact N-O 2.92Å; I174-I216 PolarHBondContact O-N 2.83Å; L176-I216 HydrophobicContact CD1-CD1 4.38Å; A179-I216 HydrophobicContact CB-CD1 4.25Å; A179-I216 HydrophobicContact CB-CG1 3.78Å; C182-I216 HydrophobicContact CB-CD1 3.91Å; P185-I216 HydrophobicContact CB-CD1 3.9Å; P185-I216 HydrophobicContact CB-CG2 4.43Å; P185-I216 HydrophobicContact CG-CD1 4.05Å; P185-I216 HydrophobicContact CG-CG2 4.01Å; A208-I216 HydrophobicContact CB-CG2 3.51Å; K211-I216 HydrophobicContact CG-CG1 4.19Å; K211-I216 HydrophobicContact CG-CG2 4.3Å; I216-F218 HydrophobicContact CB-CE2 4.34Å; I216-F218 HydrophobicContact CG2-CD2 4.41Å; I216-F218 HydrophobicContact CG2-CE2 3.9Å; I216-F218 HydrophobicContact CG2-CZ 4.33Å; I216-F241 HydrophobicContact CD1-CE2 3.6Å; I216-F241 HydrophobicContact CD1-CZ 3.41Å; I216-F241 VanDerWaalsContact CD1-CZ 3.41Å
217H98.3Very high96.4Very high31 Ų3152.4 Ų52.414%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-98.1125.8-177.6-63.6-103.6000110.3R210 E212R210-H217 HydrophobicContact CB-CB 4.01Å; R210-H217 PolarHBondContact O-N 3.18Å; E212-H217 VanDerWaalsContact CD-NE2 3.29Å; E212-H217 IonicContact OE1-CD2 3.58Å; E212-H217 IonicContact OE1-CE1 2.69Å; E212-H217 IonicContact OE1-NE2 3.65Å; E212-H217 PolarHBondContact OE1-NE2 2.9Å; E212-H217 IonicContact OE2-NE2 3.36Å
218F97.2Very high96.5Very high24 Ų2452.3 Ų52.311%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-101-49.8178.2-72.7-97.9000110.7I171 E172 I174 M187 T205 A208 I216 V220 F241I171-F218 HydrophobicContact CB-CB 4.16Å; I171-F218 HydrophobicContact CG2-CB 3.67Å; I171-F218 HydrophobicContact CG2-CD2 3.91Å; I171-F218 HydrophobicContact CG2-CG 3.8Å; E172-F218 PolarHBondContact O-N 2.89Å; I174-F218 HydrophobicContact CG2-CE2 3.78Å; M187-F218 HydrophobicContact CB-CE1 4.14Å; M187-F218 HydrophobicContact CB-CZ 4.32Å; T205-F218 HydrophobicContact CG2-CD1 4.3Å; T205-F218 WeakPolarHBondContact OG1-CE1 3.4Å; A208-F218 HydrophobicContact CB-CD1 3.91Å; A208-F218 HydrophobicContact CB-CD2 4.46Å; A208-F218 HydrophobicContact CB-CE1 3.85Å; A208-F218 HydrophobicContact CB-CE2 4.39Å; A208-F218 HydrophobicContact CB-CG 4.22Å; A208-F218 HydrophobicContact CB-CZ 4.1Å; I216-F218 HydrophobicContact CB-CE2 4.34Å; I216-F218 HydrophobicContact CG2-CD2 4.41Å; I216-F218 HydrophobicContact CG2-CE2 3.9Å; I216-F218 HydrophobicContact CG2-CZ 4.33Å; F218-V220 HydrophobicContact CB-CG1 4.13Å; F218-V220 PolarHBondContact O-N 2.52Å; F218-F241 HydrophobicContact CE2-CD2 4.49Å; F218-F241 HydrophobicContact CE2-CE2 4.44Å; F218-F241 HydrophobicContact CZ-CD2 4.15Å; F218-F241 HydrophobicContact CZ-CE2 4.12Å
219S96.1Very high96.5Very high54 Ų5456.4 Ų56.438%0.37828%0.28SS..EExtended strand (participates in β ladder)trans50.140.1-177.3-59.60000113.5I171 E172I171-S219 VanDerWaalsContact O-CA 3.23Å; I171-S219 WeakPolarHBondContact O-CA 3.5Å; I171-S219 PolarHBondContact O-N 3Å; E172-S219 PolarHBondContact O-N 2.83Å; E172-S219 VanDerWaalsContact O-N 3.12Å
220V97.4Very high96.7Very high31 Ų3154.4 Ų54.419%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-120.2141.6-174.873.30000111.1L154 R170 I171 T205 F218L154-V220 HydrophobicContact CD1-CG1 4.48Å; L154-V220 HydrophobicContact CD1-CG2 3.42Å; L154-V220 VanDerWaalsContact CD1-CG2 3.42Å; R170-V220 CarbonylContact C-O 3.54Å; R170-V220 WeakPolarHBondContact CA-O 3.14Å; I171-V220 HydrophobicContact CB-CG1 4.28Å; I171-V220 HydrophobicContact CD1-CG1 4.14Å; I171-V220 PolarHBondContact N-O 2.82Å; I171-V220 PolarHBondContact O-N 2.99Å; T205-V220 HydrophobicContact CG2-CG1 3.75Å; F218-V220 HydrophobicContact CB-CG1 4.13Å; F218-V220 PolarHBondContact O-N 2.52Å
221D98.4Very high96.8Very high84 Ų8448.1 Ų48.145%0.44924%0.238SC..EExtended strand (participates in β ladder)trans-89.5136176.4-65.8-18.1000110.2T168 R170T168-D221 HydrophobicContact CG2-CB 3.91Å; R170-D221 WeakPolarHBondContact CB-OD1 3.38Å; R170-D221 WeakPolarHBondContact CD-OD1 3.35Å; R170-D221 WeakPolarHBondContact CG-OD1 3.43Å
222V98.3Very high96.8Very high0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans-120.4124.8175.4-176.70000108.8L154 L169 I171 I189L154-V222 HydrophobicContact CD1-CG2 4.46Å; L154-V222 HydrophobicContact CD2-CG1 4.3Å; L154-V222 HydrophobicContact CD2-CG2 3.89Å; L169-V222 PolarHBondContact N-O 2.94Å; L169-V222 PolarHBondContact O-N 2.9Å; I171-V222 HydrophobicContact CD1-CG2 3.45Å; I171-V222 VanDerWaalsContact CD1-CG2 3.45Å; I171-V222 HydrophobicContact CG1-CG2 4.28Å; I189-V222 HydrophobicContact CB-CG1 4.2Å; I189-V222 HydrophobicContact CD1-CG1 4.3Å; I189-V222 HydrophobicContact CD1-CG2 3.92Å; I189-V222 HydrophobicContact CG1-CG1 4.16Å; I189-V222 HydrophobicContact CG1-CG2 4.3Å; I189-V222 HydrophobicContact CG2-CG1 4.16Å
223E98.4Very high96.8Very high24 Ų2452.2 Ų52.211%0.11226%0.26CS..EExtended strand (participates in β ladder)trans-94.6115.8-178-60.8-69-175.500109.6R157 T168 Q203 Q225R157-E223 HydrophobicContact CB-CB 4.41Å; R157-E223 HydrophobicContact CB-CG 3.93Å; R157-E223 IonicContact CZ-OE1 3.82Å; R157-E223 IonicContact CZ-OE2 3.76Å; R157-E223 IonicContact NE-OE1 3.65Å; R157-E223 PolarHBondContact NE-OE1 2.92Å; R157-E223 IonicContact NE-OE2 3.64Å; R157-E223 PolarHBondContact NE-OE2 2.94Å; R157-E223 VanDerWaalsContact NE-OE2 3.16Å; R157-E223 IonicContact NH2-OE1 3.08Å; R157-E223 PolarHBondContact NH2-OE1 3.27Å; R157-E223 IonicContact NH2-OE2 2.73Å; T168-E223 WeakPolarHBondContact CB-OE2 3.31Å; T168-E223 VanDerWaalsContact OG1-CD 3.25Å; T168-E223 PolarHBondContact OG1-OE1 3.44Å; T168-E223 PolarHBondContact OG1-OE2 3.49Å; Q203-E223 PolarHBondContact NE2-O 3.42Å; E223-Q225 PolarHBondContact O-N 2.77Å; E223-Q225 PolarHBondContact O-NE2 2.82Å
224I98.3Very high96.9Very high4 Ų447.1 Ų47.12%0.02124%0.241CC..  trans-71.7119.9178.7-61.6-62.6000109.1L167 L169 I189 V191 R226 I237L167-I224 HydrophobicContact CB-CB 4.28Å; L167-I224 HydrophobicContact CB-CG1 4.32Å; L167-I224 HydrophobicContact CD2-CG1 4.07Å; L167-I224 HydrophobicContact CG-CG1 4.13Å; L167-I224 WeakPolarHBondContact O-CB 3.47Å; L167-I224 PolarHBondContact O-N 3Å; L169-I224 HydrophobicContact CD1-CD1 4.01Å; L169-I224 HydrophobicContact CD1-CG1 4.08Å; I189-I224 HydrophobicContact CG2-CD1 4.37Å; V191-I224 HydrophobicContact CG2-CD1 4.29Å; V191-I224 HydrophobicContact CG2-CG2 4.15Å; I224-R226 PolarHBondContact O-N 3.28Å; I224-I237 HydrophobicContact CD1-CD1 3.97Å; I224-I237 HydrophobicContact CD1-CG1 4.32Å; I224-I237 HydrophobicContact CD1-CG2 3.97Å; I224-I237 HydrophobicContact CG1-CD1 4.06Å
225Q98Very high96.9Very high31 Ų3144.5 Ų44.515%0.14523%0.225CC..SBendtrans-78.933.1-168.8-62.7-63.2-62.100113.4L155 P156 L158 N200 E223L155-Q225 HydrophobicContact CB-CG 4.22Å; L155-Q225 HydrophobicContact CD1-CG 3.82Å; P156-Q225 PolarHBondContact O-NE2 2.97Å; L158-Q225 WeakPolarHBondContact CD1-O 3.15Å; N200-Q225 WeakPolarHBondContact ND2-CB 3.49Å; N200-Q225 PolarHBondContact ND2-O 3.43Å; E223-Q225 PolarHBondContact O-N 2.77Å; E223-Q225 PolarHBondContact O-NE2 2.82Å
226R96.6Very high97Very high78 Ų7842.4 Ų42.429%0.29422%0.216SC..SBendtrans-158.1137177.6-170.5175.2-75.1-104.2-0.7109.5L199 N200 I224 K230 L231L199-R226 PolarHBondContact O-NH2 3.28Å; N200-R226 PolarHBondContact OD1-NE 2.84Å; I224-R226 PolarHBondContact O-N 3.28Å; R226-K230 HydrophobicContact CG-CB 4.02Å; R226-L231 HydrophobicContact CB-CD2 4.46Å; R226-L231 HydrophobicContact CG-CD2 4.32Å; R226-L231 HydrophobicContact CG-CG 4.24Å
227H97.3Very high97Very high8 Ų842.4 Ų42.44%0.03722%0.217CC..  trans-59.9140.8170.7-5582.2000110.9P159 E161 M164 T165 E229 K230P159-H227 PolarHBondContact O-NE2 3Å; E161-H227 VanDerWaalsContact CD-CE1 3.42Å; E161-H227 IonicContact OE1-CE1 2.82Å; E161-H227 PolarHBondContact OE1-CE1 3.34Å; E161-H227 IonicContact OE1-ND1 3.67Å; E161-H227 IonicContact OE1-NE2 3.55Å; M164-H227 HydrophobicContact CB-CB 4.05Å; M164-H227 VanDerWaalsContact CB-CD2 3.49Å; M164-H227 WeakPolarHBondContact CB-CD2 3.49Å; M164-H227 HydrophobicContact SD-CB 4.3Å; T165-H227 CarbonylContact O-C 3.56Å; T165-H227 VanDerWaalsContact O-CA 3.27Å; T165-H227 WeakPolarHBondContact O-CA 3.47Å; H227-E229 PolarHBondContact O-N 3.36Å; H227-K230 HydrophobicContact CB-CD 4.24Å; H227-K230 HydrophobicContact CB-CG 4.32Å; H227-K230 PolarHBondContact O-N 3.35Å
228V96.9Very high97Very high27 Ų2741 Ų4116%0.16421%0.21CC..G310 helixtrans-57.6-39.2-172.41770000111.5T165 L167 K230 L231 M261 I264T165-V228 HydrophobicContact CG2-CG2 4.28Å; T165-V228 PolarHBondContact O-N 2.81Å; L167-V228 HydrophobicContact CB-CG2 4.04Å; V228-K230 PolarHBondContact O-N 3Å; V228-L231 WeakPolarHBondContact O-CB 3.34Å; V228-L231 PolarHBondContact O-N 3.27Å; V228-M261 HydrophobicContact CG1-CE 4.13Å; V228-I264 HydrophobicContact CG1-CD1 4.37Å
229E96.4Very high97Very high94 Ų9439.9 Ų39.944%0.43921%0.205SC..G310 helixtrans-69.6-20.3-179-59.976.9-170.900113M164 T165 H227M164-E229 HydrophobicContact SD-CB 3.75Å; M164-E229 HydrophobicContact SD-CG 4.2Å; T165-E229 VanDerWaalsContact CB-OE1 3.24Å; T165-E229 WeakPolarHBondContact CB-OE1 3.25Å; T165-E229 PolarHBondContact N-OE1 2.86Å; T165-E229 PolarHBondContact N-OE2 3.04Å; T165-E229 PolarHBondContact OG1-OE1 3.37Å; H227-E229 PolarHBondContact O-N 3.36Å
230K96.3Very high97.2Very high85 Ų8537.7 Ų37.737%0.3719%0.189SC..G310 helixtrans-91.7-0.3178.4-64.2179.8-175.51690112.9E161 M164 R226 H227 V228E161-K230 IonicContact OE1-NZ 2.77Å; E161-K230 PolarHBondContact OE1-NZ 3.03Å; E161-K230 WeakPolarHBondContact OE2-CE 3.46Å; E161-K230 IonicContact OE2-NZ 3.42Å; E161-K230 PolarHBondContact OE2-NZ 3.04Å; M164-K230 HydrophobicContact SD-CG 4.43Å; R226-K230 HydrophobicContact CG-CB 4.02Å; H227-K230 HydrophobicContact CB-CD 4.24Å; H227-K230 HydrophobicContact CB-CG 4.32Å; H227-K230 PolarHBondContact O-N 3.35Å; V228-K230 PolarHBondContact O-N 3Å
231L95.7Very high97.2Very high17 Ų1736.2 Ų36.29%0.08918%0.18CC..SBendtrans-79.4128.8174.5-75.9163.8000109.8V191 L199 R226 V228 A235 M261V191-L231 HydrophobicContact CG1-CD2 3.56Å; L199-L231 HydrophobicContact CD1-CD2 4.13Å; R226-L231 HydrophobicContact CB-CD2 4.46Å; R226-L231 HydrophobicContact CG-CD2 4.32Å; R226-L231 HydrophobicContact CG-CG 4.24Å; V228-L231 WeakPolarHBondContact O-CB 3.34Å; V228-L231 PolarHBondContact O-N 3.27Å; L231-A235 HydrophobicContact CD2-CB 4.33Å; L231-M261 HydrophobicContact CB-CE 3.43Å; L231-M261 VanDerWaalsContact CB-CE 3.43Å; L231-M261 HydrophobicContact CB-SD 3.83Å; L231-M261 HydrophobicContact CD1-CE 3.46Å; L231-M261 VanDerWaalsContact CD1-CE 3.46Å; L231-M261 HydrophobicContact CD1-SD 3.74Å; L231-M261 HydrophobicContact CG-CE 4.03Å; L231-M261 HydrophobicContact CG-SD 4.28Å
232P95.7Very high97.1Very high54 Ų5433.3 Ų33.335%0.35116%0.163SC..PPolyproline II helixtrans-67.9153.6179.828.9-33.1000111L199 G234 A235L199-P232 HydrophobicContact CD1-CG 3.66Å; L199-P232 HydrophobicContact CD2-CG 4.19Å; P232-G234 PolarHBondContact O-N 3.18Å; P232-A235 HydrophobicContact CG-CB 4.19Å; P232-A235 VanDerWaalsContact O-CB 3.24Å; P232-A235 WeakPolarHBondContact O-CB 3.39Å; P232-A235 PolarHBondContact O-N 3.31Å
233K93.4Very high96.9Very high210 Ų21034.2 Ų34.291%0.91317%0.168SC*.THydrogen-bonded Turntrans-57.7134.9172.9-69.8-173.5178.8-177.70110.3A235K233-A235 VanDerWaalsContact C-N 3.31Å
234G93.6Very high96.5Very high33 Ų3336.1 Ų36.134%0.3417%0.174SC..THydrogen-bonded Turntrans80.37.3-176.500000114.2P232 R282P232-G234 PolarHBondContact O-N 3.18Å; G234-R282 PolarHBondContact O-NH2 3.41Å
235A97.4Very high96Very high1 Ų138.7 Ų38.71%0.00819%0.185CC..  trans-64.1159.4165.100000111.6K192 L199 L231 P232 K233 M261K192-A235 CarbonylContact O-C 3.54Å; K192-A235 WeakPolarHBondContact O-CA 3.23Å; L199-A235 HydrophobicContact CD1-CB 3.89Å; L231-A235 HydrophobicContact CD2-CB 4.33Å; P232-A235 HydrophobicContact CG-CB 4.19Å; P232-A235 VanDerWaalsContact O-CB 3.24Å; P232-A235 WeakPolarHBondContact O-CB 3.39Å; P232-A235 PolarHBondContact O-N 3.31Å; K233-A235 VanDerWaalsContact C-N 3.31Å; A235-M261 HydrophobicContact CB-CG 4.17Å; A235-M261 HydrophobicContact CB-SD 4.05Å; A235-M261 WeakPolarHBondContact O-CG 3.22Å
236A98.3Very high95.3Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-147.8152.6170.100000111.4V191 K192 F238 F258 M259 R282V191-A236 WeakPolarHBondContact CA-O 3.42Å; K192-A236 PolarHBondContact N-O 3.38Å; K192-A236 PolarHBondContact O-N 3.04Å; A236-F238 HydrophobicContact CB-CD2 4.27Å; A236-F238 HydrophobicContact CB-CE2 3.72Å; A236-F238 HydrophobicContact CB-CZ 4.42Å; A236-F258 HydrophobicContact CB-CD2 4.43Å; A236-M259 VanDerWaalsContact CA-O 3.31Å; A236-M259 WeakPolarHBondContact CA-O 3.5Å; A236-M259 WeakPolarHBondContact CB-O 3.48Å; A236-R282 VanDerWaalsContact CB-NH1 3.25Å
237I98.5Very high94.6Very high1 Ų146.2 Ų46.21%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-96.6121.8172.3-58.1166.5000107.3L167 L169 I189 S190 V191 I224 F239 F258 M259 I264L167-I237 HydrophobicContact CD2-CD1 3.72Å; L169-I237 HydrophobicContact CD1-CD1 4.07Å; L169-I237 HydrophobicContact CD1-CG2 4.14Å; I189-I237 HydrophobicContact CG2-CG2 3.96Å; S190-I237 CarbonylContact O-C 3.45Å; S190-I237 WeakPolarHBondContact O-CA 3.48Å; V191-I237 HydrophobicContact CG1-CG1 4.42Å; V191-I237 HydrophobicContact CG2-CG1 4.26Å; I224-I237 HydrophobicContact CD1-CD1 3.97Å; I224-I237 HydrophobicContact CD1-CG1 4.32Å; I224-I237 HydrophobicContact CD1-CG2 3.97Å; I224-I237 HydrophobicContact CG1-CD1 4.06Å; I237-F239 HydrophobicContact CB-CE2 4.41Å; I237-F239 HydrophobicContact CB-CZ 4.47Å; I237-F239 HydrophobicContact CG2-CE1 4.2Å; I237-F239 HydrophobicContact CG2-CE2 3.93Å; I237-F239 HydrophobicContact CG2-CZ 3.66Å; I237-F258 CarbonylContact O-C 3.54Å; I237-F258 WeakPolarHBondContact O-CA 3.48Å; I237-M259 HydrophobicContact CD1-CE 3.72Å; I237-M259 PolarHBondContact N-O 3.26Å; I237-M259 PolarHBondContact O-N 2.72Å; I237-I264 HydrophobicContact CD1-CD1 4.45Å
238F98.6Very high93.6Very high0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-103145.2-179.6-76.6-98.8000111I189 S190 K192 A236 F256 F258 T278 F280 R282I189-F238 VanDerWaalsContact CA-O 3.31Å; I189-F238 WeakPolarHBondContact CA-O 3.36Å; S190-F238 PolarHBondContact N-O 3.29Å; S190-F238 VanDerWaalsContact N-O 3.09Å; S190-F238 PolarHBondContact O-N 2.96Å; K192-F238 HydrophobicContact CB-CD2 3.89Å; K192-F238 HydrophobicContact CB-CE2 3.75Å; K192-F238 HydrophobicContact CG-CD2 3.54Å; K192-F238 HydrophobicContact CG-CE2 3.82Å; K192-F238 HydrophobicContact CG-CG 4.34Å; A236-F238 HydrophobicContact CB-CD2 4.27Å; A236-F238 HydrophobicContact CB-CE2 3.72Å; A236-F238 HydrophobicContact CB-CZ 4.42Å; F238-F256 HydrophobicContact CD1-CD2 4.24Å; F238-F256 HydrophobicContact CE1-CD2 4.37Å; F238-F256 HydrophobicContact CE1-CE2 4.37Å; F238-F258 HydrophobicContact CD1-CB 3.74Å; F238-F258 HydrophobicContact CD2-CB 4.38Å; F238-F258 HydrophobicContact CE1-CB 3.74Å; F238-F258 HydrophobicContact CE1-CD1 4.34Å; F238-F258 HydrophobicContact CE1-CG 4.19Å; F238-F258 HydrophobicContact CE2-CB 4.38Å; F238-F258 HydrophobicContact CG-CB 4.07Å; F238-F258 HydrophobicContact CZ-CB 4.07Å; F238-F258 HydrophobicContact CZ-CG 4.41Å; F238-T278 HydrophobicContact CD1-CG2 3.9Å; F238-T278 HydrophobicContact CE1-CG2 4.25Å; F238-F280 HydrophobicContact CB-CE1 4.35Å; F238-F280 AromaticContact CD1-CD1 3.71Å; F238-F280 HydrophobicContact CD1-CD1 3.71Å; F238-F280 HydrophobicContact CD1-CE1 4.08Å; F238-F280 HydrophobicContact CD2-CD1 4.15Å; F238-F280 AromaticContact CE1-CD1 3.86Å; F238-F280 HydrophobicContact CE1-CD1 3.86Å; F238-F280 HydrophobicContact CE2-CD1 4.29Å; F238-F280 AromaticContact CG-CD1 3.86Å; F238-F280 HydrophobicContact CG-CD1 3.86Å; F238-F280 HydrophobicContact CG-CE1 4.14Å; F238-F280 HydrophobicContact CZ-CB 4.36Å; F238-F280 HydrophobicContact CZ-CD1 4.15Å; F238-F280 WeakPolarHBondContact CZ-O 3.48Å; F238-R282 HydrophobicContact CE1-CG 4.32Å; F238-R282 HydrophobicContact CZ-CG 3.85Å
239F98.6Very high92.8Very high2 Ų259.7 Ų59.71%0.00928%0.276CS..EExtended strand (participates in β ladder)trans-128.1103.7178.4-55.9-86.9000108.2L169 M187 I189 I237 F256 A257 M259 I271 L295 L297L169-F239 HydrophobicContact CD1-CE1 4.09Å; L169-F239 HydrophobicContact CD1-CZ 3.68Å; M187-F239 HydrophobicContact CE-CB 4.28Å; M187-F239 HydrophobicContact CE-CD1 3.85Å; M187-F239 HydrophobicContact CE-CG 4.48Å; M187-F239 HydrophobicContact CG-CB 4.27Å; M187-F239 HydrophobicContact SD-CB 3.69Å; M187-F239 HydrophobicContact SD-CD1 4.37Å; M187-F239 HydrophobicContact SD-CG 4.48Å; I189-F239 HydrophobicContact CG1-CD1 3.97Å; I189-F239 HydrophobicContact CG1-CE1 4.33Å; I189-F239 HydrophobicContact CG2-CD1 4.43Å; I189-F239 HydrophobicContact CG2-CE1 4.31Å; I237-F239 HydrophobicContact CB-CE2 4.41Å; I237-F239 HydrophobicContact CB-CZ 4.47Å; I237-F239 HydrophobicContact CG2-CE1 4.2Å; I237-F239 HydrophobicContact CG2-CE2 3.93Å; I237-F239 HydrophobicContact CG2-CZ 3.66Å; F239-F256 CarbonylContact O-C 3.59Å; F239-F256 WeakPolarHBondContact O-CA 3.28Å; F239-A257 HydrophobicContact CB-CB 4.33Å; F239-A257 HydrophobicContact CD2-CB 4.43Å; F239-A257 PolarHBondContact N-O 2.77Å; F239-A257 PolarHBondContact O-N 2.92Å; F239-M259 HydrophobicContact CE2-CB 4.25Å; F239-I271 HydrophobicContact CE2-CD1 4.28Å; F239-L295 HydrophobicContact CB-CD2 3.61Å; F239-L295 HydrophobicContact CD1-CD2 4.07Å; F239-L295 HydrophobicContact CD2-CD2 3.9Å; F239-L295 HydrophobicContact CG-CD2 3.6Å; F239-L297 HydrophobicContact CE1-CD1 4Å; F239-L297 HydrophobicContact CE1-CD2 4.28Å; F239-L297 HydrophobicContact CE2-CD1 3.81Å; F239-L297 HydrophobicContact CZ-CD1 3.47Å; F239-L297 VanDerWaalsContact CZ-CD1 3.47Å
240E98.4Very high92Very high7 Ų757 Ų573%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-99.8112.1177.9-62.6-174.210600109.8Q26 M187 S188 K242 T253 F256 T278Q26-E240 PolarHBondContact NE2-OE1 3.46Å; M187-E240 WeakPolarHBondContact CA-O 3.35Å; M187-E240 WeakPolarHBondContact CG-O 3.41Å; S188-E240 PolarHBondContact N-O 3.02Å; S188-E240 PolarHBondContact O-N 3.34Å; E240-K242 PolarHBondContact O-N 2.94Å; E240-K242 IonicContact OE2-NZ 2.89Å; E240-T253 HydrophobicContact CB-CG2 4.06Å; E240-T253 HydrophobicContact CG-CG2 4.46Å; E240-F256 HydrophobicContact CG-CB 4.29Å; E240-T278 HydrophobicContact CG-CG2 4.21Å; E240-T278 VanDerWaalsContact OE1-CB 3.28Å; E240-T278 WeakPolarHBondContact OE1-CB 3.48Å; E240-T278 PolarHBondContact OE1-OG1 3.45Å
241F98.4Very high91.6Very high1 Ų155.2 Ų55.20%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-78.9124174176.5-87.1000109.7I174 L176 C182 P185 I216 F218 H243 T253 K254 C255I174-F241 HydrophobicContact CD1-CB 3.81Å; I174-F241 HydrophobicContact CD1-CD2 3.87Å; I174-F241 HydrophobicContact CD1-CG 3.96Å; I174-F241 HydrophobicContact CG2-CD2 3.92Å; I174-F241 HydrophobicContact CG2-CE2 3.94Å; L176-F241 HydrophobicContact CD1-CD1 4.01Å; L176-F241 HydrophobicContact CD1-CD2 4.5Å; L176-F241 HydrophobicContact CD1-CE1 3.64Å; L176-F241 HydrophobicContact CD1-CE2 4.17Å; L176-F241 HydrophobicContact CD1-CG 4.41Å; L176-F241 HydrophobicContact CD1-CZ 3.72Å; C182-F241 HydrophobicContact CB-CE1 4.32Å; C182-F241 HydrophobicContact CB-CZ 3.96Å; P185-F241 HydrophobicContact CB-CE2 3.68Å; P185-F241 HydrophobicContact CB-CZ 3.53Å; I216-F241 HydrophobicContact CD1-CE2 3.6Å; I216-F241 HydrophobicContact CD1-CZ 3.41Å; I216-F241 VanDerWaalsContact CD1-CZ 3.41Å; F218-F241 HydrophobicContact CE2-CD2 4.49Å; F218-F241 HydrophobicContact CE2-CE2 4.44Å; F218-F241 HydrophobicContact CZ-CD2 4.15Å; F218-F241 HydrophobicContact CZ-CE2 4.12Å; F241-H243 HydrophobicContact CE1-CB 4.2Å; F241-T253 CarbonylContact O-C 3.47Å; F241-T253 WeakPolarHBondContact O-CA 3.34Å; F241-K254 HydrophobicContact CD1-CB 3.87Å; F241-K254 HydrophobicContact CD1-CD 4.24Å; F241-K254 HydrophobicContact CE1-CB 4.28Å; F241-K254 HydrophobicContact CE1-CD 4.02Å; F241-K254 PolarHBondContact O-N 2.83Å; F241-C255 PolarHBondContact N-O 2.76Å
242K96.1Very high91.1Very high22 Ų2254.5 Ų54.510%0.09626%0.256CS..EExtended strand (participates in β ladder)trans-120.8145.3-176-69.5177.4-176.5170.10110.5P185 Y186 S188 E240 T251 S252 T253P185-K242 WeakPolarHBondContact CA-O 3.36Å; Y186-K242 HydrophobicContact CD1-CB 4.1Å; Y186-K242 HydrophobicContact CD2-CB 4.47Å; Y186-K242 HydrophobicContact CE1-CB 3.67Å; Y186-K242 HydrophobicContact CE2-CB 4.08Å; Y186-K242 HydrophobicContact CE2-CD 3.8Å; Y186-K242 HydrophobicContact CE2-CG 4.48Å; Y186-K242 HydrophobicContact CG-CB 4.49Å; Y186-K242 PolarHBondContact N-O 2.94Å; Y186-K242 PolarHBondContact O-N 3.05Å; Y186-K242 WeakPolarHBondContact OH-CD 3.18Å; S188-K242 WeakPolarHBondContact OG-CD 3.19Å; S188-K242 WeakPolarHBondContact OG-CE 3.27Å; S188-K242 PolarHBondContact OG-NZ 2.98Å; E240-K242 PolarHBondContact O-N 2.94Å; E240-K242 IonicContact OE2-NZ 2.89Å; K242-T251 HydrophobicContact CB-CG2 3.94Å; K242-S252 WeakPolarHBondContact CA-O 3.42Å; K242-T253 WeakPolarHBondContact CE-OG1 3.21Å
243H94.3Very high91Very high20 Ų2052.2 Ų52.29%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-145.1156.2174.176.7170000111.2C182 F241 K245 T251 S252C182-H243 HydrophobicContact CB-CB 4.06Å; C182-H243 PolarHBondContact SG-ND1 3.43Å; C182-H243 VanDerWaalsContact SG-ND1 3.38Å; F241-H243 HydrophobicContact CE1-CB 4.2Å; H243-K245 VanDerWaalsContact NE2-CE 3.28Å; H243-K245 WeakPolarHBondContact NE2-CE 3.39Å; H243-T251 CarbonylContact O-C 3.56Å; H243-T251 WeakPolarHBondContact O-CA 3.41Å; H243-S252 PolarHBondContact N-O 3.38Å; H243-S252 PolarHBondContact O-N 2.9Å
244Y91Very high91.1Very high63 Ų6344.2 Ų44.225%0.24721%0.207CC..EExtended strand (participates in β ladder)trans-76133.2173.1-174.6-109.6000110.8I183 P246 R249I183-Y244 HydrophobicContact CG2-CD1 4.24Å; I183-Y244 PolarHBondContact O-N 3.02Å; Y244-P246 HydrophobicContact CD1-CG 4.14Å; Y244-P246 HydrophobicContact CE1-CB 4.28Å; Y244-P246 HydrophobicContact CE1-CG 4.25Å; Y244-P246 WeakPolarHBondContact O-CD 3.03Å; Y244-R249 VanDerWaalsContact CE2-C 3.44Å; Y244-R249 VanDerWaalsContact OH-CA 3.3Å; Y244-R249 WeakPolarHBondContact OH-CA 3.14Å
245K87.3Confident91.3Very high58 Ų5842.7 Ų42.725%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-106.1102.7173.5-72.8-177.3174.8165.20109.8H243 K247 K248 R249 F250 S252H243-K245 VanDerWaalsContact NE2-CE 3.28Å; H243-K245 WeakPolarHBondContact NE2-CE 3.39Å; K245-K247 VanDerWaalsContact C-N 3.34Å; K245-K247 PolarHBondContact O-N 2.83Å; K245-K248 HydrophobicContact CB-CB 4.08Å; K245-K248 HydrophobicContact CB-CG 4.42Å; K245-K248 CarbonylContact O-C 3.42Å; K245-K248 PolarHBondContact O-N 2.88Å; K245-R249 PolarHBondContact O-N 2.81Å; K245-F250 PolarHBondContact N-O 2.77Å; K245-F250 PolarHBondContact O-N 3.14Å; K245-S252 PolarHBondContact NZ-OG 3.5Å
246P82.8Confident91.4Very high62 Ų6242.8 Ų42.840%0.40319%0.191SC..G310 helixtrans-57.3-42.9-174.9-26.333.6000113.7I183 Y244 K248 R249I183-P246 HydrophobicContact CD1-CG 3.29Å; Y244-P246 HydrophobicContact CD1-CG 4.14Å; Y244-P246 HydrophobicContact CE1-CB 4.28Å; Y244-P246 HydrophobicContact CE1-CG 4.25Å; Y244-P246 WeakPolarHBondContact O-CD 3.03Å; P246-K248 PolarHBondContact O-N 2.85Å; P246-R249 WeakPolarHBondContact O-CG 3.13Å; P246-R249 PolarHBondContact O-N 2.86Å; P246-R249 VanDerWaalsContact O-N 3.13Å
247K81.6Confident91.4Very high205 Ų20542.8 Ų42.889%0.89119%0.191SC*.G310 helixtrans-61.6-32.4178.8-67.2-173.8179.2-179.70112.9K245K245-K247 VanDerWaalsContact C-N 3.34Å; K245-K247 PolarHBondContact O-N 2.83Å
248K77.1Confident91.4Very high111 Ų11143.6 Ų43.648%0.48319%0.194SC..G310 helixtrans-97.1-5.1179.9-60.2-67.2-175.7169.90112.5K245 P246 F250K245-K248 HydrophobicContact CB-CB 4.08Å; K245-K248 HydrophobicContact CB-CG 4.42Å; K245-K248 CarbonylContact O-C 3.42Å; K245-K248 PolarHBondContact O-N 2.88Å; P246-K248 PolarHBondContact O-N 2.85Å; K248-F250 PolarHBondContact O-N 2.92Å; K248-F250 VanDerWaalsContact O-N 3.12Å
249R78.7Confident91.3Very high207 Ų20743.6 Ų43.678%0.78119%0.194SC*.THydrogen-bonded Turntrans49.431.9-176-65.8-177.7161.1174.9-4.8114.3Y244 K245 P246Y244-R249 VanDerWaalsContact CE2-C 3.44Å; Y244-R249 VanDerWaalsContact OH-CA 3.3Å; Y244-R249 WeakPolarHBondContact OH-CA 3.14Å; K245-R249 PolarHBondContact O-N 2.81Å; P246-R249 WeakPolarHBondContact O-CG 3.13Å; P246-R249 PolarHBondContact O-N 2.86Å; P246-R249 VanDerWaalsContact O-N 3.13Å
250F81.4Confident91.2Very high38 Ų3846.8 Ų46.817%0.16721%0.209CC..EExtended strand (participates in β ladder)trans-147.1154.1-171.7-161.1-89.5000111.8L27 V28 I31 L75 K245 K248L27-F250 HydrophobicContact CB-CE1 3.91Å; L27-F250 HydrophobicContact CB-CZ 3.71Å; L27-F250 HydrophobicContact CD1-CZ 4.02Å; L27-F250 HydrophobicContact CG-CZ 4.49Å; V28-F250 HydrophobicContact CG2-CD1 3.17Å; V28-F250 HydrophobicContact CG2-CE1 3.53Å; V28-F250 HydrophobicContact CG2-CG 4.25Å; I31-F250 HydrophobicContact CD1-CD2 4.48Å; I31-F250 HydrophobicContact CD1-CE2 4.32Å; I31-F250 HydrophobicContact CD1-CZ 4.39Å; L75-F250 WeakPolarHBondContact O-CE2 3.44Å; K245-F250 PolarHBondContact N-O 2.77Å; K245-F250 PolarHBondContact O-N 3.14Å; K248-F250 PolarHBondContact O-N 2.92Å; K248-F250 VanDerWaalsContact O-N 3.12Å
251T85.9Confident91Very high48 Ų4848.6 Ų48.629%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-85.7123.2176.4-63.40000111.1V28 Y186 K242 H243V28-T251 WeakPolarHBondContact CG2-O 3.27Å; Y186-T251 HydrophobicContact CE1-CG2 3.53Å; Y186-T251 WeakPolarHBondContact OH-CG2 3.31Å; K242-T251 HydrophobicContact CB-CG2 3.94Å; H243-T251 CarbonylContact O-C 3.56Å; H243-T251 WeakPolarHBondContact O-CA 3.41Å
252S86.7Confident90.8Very high1 Ų154 Ų541%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-118.4139.3-176-174.80000110.7K242 H243 K245 K254K242-S252 WeakPolarHBondContact CA-O 3.42Å; H243-S252 PolarHBondContact N-O 3.38Å; H243-S252 PolarHBondContact O-N 2.9Å; K245-S252 PolarHBondContact NZ-OG 3.5Å; S252-K254 PolarHBondContact O-N 2.81Å
253T93.7Very high90.8Very high7 Ų756 Ų564%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-63125.3161.7-55.90000108.5E240 F241 K242 K276E240-T253 HydrophobicContact CB-CG2 4.06Å; E240-T253 HydrophobicContact CG-CG2 4.46Å; F241-T253 CarbonylContact O-C 3.47Å; F241-T253 WeakPolarHBondContact O-CA 3.34Å; K242-T253 WeakPolarHBondContact CE-OG1 3.21Å; T253-K276 WeakPolarHBondContact O-CD 3.49Å
254K95.1Very high91Very high42 Ų4255.9 Ų55.918%0.18326%0.257CS..EExtended strand (participates in β ladder)trans-91.4-44.1176.1-175.7-177.4166.272.20110.7L176 D178 F241 S252L176-K254 HydrophobicContact CD1-CD 4.21Å; D178-K254 WeakPolarHBondContact OD1-CE 3.14Å; D178-K254 IonicContact OD1-NZ 3.71Å; D178-K254 PolarHBondContact OD1-NZ 3.49Å; D178-K254 IonicContact OD2-NZ 2.81Å; D178-K254 PolarHBondContact OD2-NZ 3.09Å; F241-K254 HydrophobicContact CD1-CB 3.87Å; F241-K254 HydrophobicContact CD1-CD 4.24Å; F241-K254 HydrophobicContact CE1-CB 4.28Å; F241-K254 HydrophobicContact CE1-CD 4.02Å; F241-K254 PolarHBondContact O-N 2.83Å; S252-K254 PolarHBondContact O-N 2.81Å
255C97.9Very high91.2Very high0 Ų059 Ų590%027%0.272CS..EExtended strand (participates in β ladder)trans-157.3167.1-178.657.40000110.4F241 L273 Y274 L288F241-C255 PolarHBondContact N-O 2.76Å; C255-L273 HydrophobicContact CB-CB 4.46Å; C255-Y274 CarbonylContact C-O 3.55Å; C255-Y274 WeakPolarHBondContact CA-O 3.44Å; C255-Y274 WeakPolarHBondContact CB-O 3.44Å; C255-L288 HydrophobicContact CB-CD1 4.3Å; C255-L288 HydrophobicContact CB-CD2 3.7Å; C255-L288 HydrophobicContact CB-CG 4.44Å
256F98.6Very high91.7Very high3 Ų361.1 Ų61.11%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-135.9156.4176.772.3-83.5000111.6F238 F239 E240 F258 Y274 K275 T278 D279 L285F238-F256 HydrophobicContact CD1-CD2 4.24Å; F238-F256 HydrophobicContact CE1-CD2 4.37Å; F238-F256 HydrophobicContact CE1-CE2 4.37Å; F239-F256 CarbonylContact O-C 3.59Å; F239-F256 WeakPolarHBondContact O-CA 3.28Å; E240-F256 HydrophobicContact CG-CB 4.29Å; F256-F258 HydrophobicContact CD2-CD1 4.39Å; F256-F258 HydrophobicContact CE2-CD1 4.03Å; F256-Y274 HydrophobicContact CD2-CD2 4.5Å; F256-Y274 VanDerWaalsContact CE1-CB 3.41Å; F256-Y274 HydrophobicContact CE2-CD2 4.13Å; F256-Y274 HydrophobicContact CE2-CG 4.28Å; F256-Y274 VanDerWaalsContact CZ-CB 3.46Å; F256-Y274 HydrophobicContact CZ-CD2 4.43Å; F256-Y274 HydrophobicContact CZ-CG 4.12Å; F256-Y274 PolarHBondContact N-O 2.89Å; F256-Y274 PolarHBondContact O-N 2.81Å; F256-K275 VanDerWaalsContact CE1-O 3.26Å; F256-K275 WeakPolarHBondContact CE1-O 3.4Å; F256-T278 HydrophobicContact CB-CG2 3.89Å; F256-T278 HydrophobicContact CD1-CG2 4.05Å; F256-T278 HydrophobicContact CD2-CG2 3.73Å; F256-T278 HydrophobicContact CE1-CG2 4.48Å; F256-T278 HydrophobicContact CE2-CG2 4.2Å; F256-T278 HydrophobicContact CG-CG2 3.63Å; F256-D279 HydrophobicContact CZ-CB 4.44Å; F256-L285 HydrophobicContact CE2-CD2 4.01Å; F256-L285 HydrophobicContact CZ-CD2 3.77Å
257A98.7Very high92.5Very high0 Ų058.9 Ų58.90%028%0.279CS..EExtended strand (participates in β ladder)trans-126.4162.3165.200000108.4F239 I271 E272 L273 L295F239-A257 HydrophobicContact CB-CB 4.33Å; F239-A257 HydrophobicContact CD2-CB 4.43Å; F239-A257 PolarHBondContact N-O 2.77Å; F239-A257 PolarHBondContact O-N 2.92Å; A257-I271 HydrophobicContact CB-CB 4.3Å; A257-I271 HydrophobicContact CB-CG2 3.82Å; A257-E272 WeakPolarHBondContact CB-O 3.21Å; A257-L273 HydrophobicContact CB-CD2 4.15Å; A257-L295 HydrophobicContact CB-CB 4.44Å; A257-L295 HydrophobicContact CB-CD2 3.91Å
258F98.5Very high93.3Very high18 Ų1854.1 Ų54.18%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-145.3156.8170.367.5-87.7000110.3A236 I237 F238 F256 E260 I271 Y274 R282 L285A236-F258 HydrophobicContact CB-CD2 4.43Å; I237-F258 CarbonylContact O-C 3.54Å; I237-F258 WeakPolarHBondContact O-CA 3.48Å; F238-F258 HydrophobicContact CD1-CB 3.74Å; F238-F258 HydrophobicContact CD2-CB 4.38Å; F238-F258 HydrophobicContact CE1-CB 3.74Å; F238-F258 HydrophobicContact CE1-CD1 4.34Å; F238-F258 HydrophobicContact CE1-CG 4.19Å; F238-F258 HydrophobicContact CE2-CB 4.38Å; F238-F258 HydrophobicContact CG-CB 4.07Å; F238-F258 HydrophobicContact CZ-CB 4.07Å; F238-F258 HydrophobicContact CZ-CG 4.41Å; F256-F258 HydrophobicContact CD2-CD1 4.39Å; F256-F258 HydrophobicContact CE2-CD1 4.03Å; F258-E260 HydrophobicContact CD2-CG 4.2Å; F258-E260 HydrophobicContact CE2-CG 3.97Å; F258-I271 WeakPolarHBondContact O-CG2 3.39Å; F258-Y274 HydrophobicContact CD1-CD2 4.27Å; F258-Y274 HydrophobicContact CD1-CE2 4.14Å; F258-Y274 HydrophobicContact CE1-CD2 4.03Å; F258-Y274 AromaticContact CE1-CE2 3.59Å; F258-Y274 HydrophobicContact CE1-CE2 3.59Å; F258-Y274 HydrophobicContact CZ-CE2 4.43Å; F258-R282 HydrophobicContact CD1-CG 4.03Å; F258-R282 HydrophobicContact CD2-CG 3.98Å; F258-R282 HydrophobicContact CE1-CB 4.41Å; F258-R282 HydrophobicContact CE1-CG 3.85Å; F258-R282 HydrophobicContact CE2-CB 4.48Å; F258-R282 HydrophobicContact CE2-CG 3.8Å; F258-R282 HydrophobicContact CG-CG 4.09Å; F258-R282 HydrophobicContact CZ-CB 4.12Å; F258-R282 HydrophobicContact CZ-CG 3.73Å; F258-L285 HydrophobicContact CE1-CD1 3.67Å; F258-L285 HydrophobicContact CE1-CD2 3.85Å; F258-L285 HydrophobicContact CE1-CG 4.43Å; F258-L285 HydrophobicContact CZ-CD1 3.72Å
259M97.5Very high94.3Very high0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-127.1128.5176.6-174.5176.257.600108.7L167 L169 A236 I237 F239 E263 I264 I269 I271L167-M259 HydrophobicContact CD2-CE 4.4Å; L169-M259 HydrophobicContact CD1-CE 3.97Å; L169-M259 HydrophobicContact CD2-CE 3.98Å; A236-M259 VanDerWaalsContact CA-O 3.31Å; A236-M259 WeakPolarHBondContact CA-O 3.5Å; A236-M259 WeakPolarHBondContact CB-O 3.48Å; I237-M259 HydrophobicContact CD1-CE 3.72Å; I237-M259 PolarHBondContact N-O 3.26Å; I237-M259 PolarHBondContact O-N 2.72Å; F239-M259 HydrophobicContact CE2-CB 4.25Å; M259-E263 HydrophobicContact CG-CB 3.58Å; M259-E263 HydrophobicContact CG-CG 4.49Å; M259-E263 HydrophobicContact SD-CB 4.33Å; M259-I264 HydrophobicContact CE-CG1 4.16Å; M259-I269 HydrophobicContact SD-CD1 4.21Å; M259-I271 HydrophobicContact CB-CD1 3.84Å; M259-I271 HydrophobicContact CG-CD1 4.31Å; M259-I271 HydrophobicContact SD-CD1 4.5Å
260E96Very high95.2Very high70 Ų7044 Ų4433%0.32724%0.238SC..EExtended strand (participates in β ladder)trans-82.3166.1175.1-55.6-148156.800112.1F258 D262 E263 R282F258-E260 HydrophobicContact CD2-CG 4.2Å; F258-E260 HydrophobicContact CE2-CG 3.97Å; E260-D262 VanDerWaalsContact C-N 3.29Å; E260-D262 WeakPolarHBondContact CB-OD1 3.27Å; E260-D262 PolarHBondContact O-N 3.49Å; E260-E263 PolarHBondContact N-OE1 3.34Å; E260-E263 WeakPolarHBondContact O-CB 3.44Å; E260-E263 PolarHBondContact O-N 2.83Å; E260-R282 IonicContact OE1-CZ 2.72Å; E260-R282 IonicContact OE1-NE 2.69Å; E260-R282 IonicContact OE1-NH1 3.36Å; E260-R282 PolarHBondContact OE1-NH1 2.81Å
261M93.4Very high96Very high45 Ų4542.3 Ų42.322%0.22223%0.231CC..G310 helixtrans-63.8-30.8-174-66.9-55.3-56.800113.9V228 L231 A235 E263 I264V228-M261 HydrophobicContact CG1-CE 4.13Å; L231-M261 HydrophobicContact CB-CE 3.43Å; L231-M261 VanDerWaalsContact CB-CE 3.43Å; L231-M261 HydrophobicContact CB-SD 3.83Å; L231-M261 HydrophobicContact CD1-CE 3.46Å; L231-M261 VanDerWaalsContact CD1-CE 3.46Å; L231-M261 HydrophobicContact CD1-SD 3.74Å; L231-M261 HydrophobicContact CG-CE 4.03Å; L231-M261 HydrophobicContact CG-SD 4.28Å; A235-M261 HydrophobicContact CB-CG 4.17Å; A235-M261 HydrophobicContact CB-SD 4.05Å; A235-M261 WeakPolarHBondContact O-CG 3.22Å; M261-E263 VanDerWaalsContact C-N 3.28Å; M261-I264 HydrophobicContact CE-CD1 3.54Å; M261-I264 PolarHBondContact O-N 2.69Å; M261-I264 HydrophobicContact SD-CD1 3.86Å
262D94.7Very high96.6Very high114 Ų11443.5 Ų43.561%0.6123%0.233SC*.G310 helixtrans-80.1-9.5179.765.2-31.7000113.5E260 K265E260-D262 VanDerWaalsContact C-N 3.29Å; E260-D262 WeakPolarHBondContact CB-OD1 3.27Å; E260-D262 PolarHBondContact O-N 3.49Å; D262-K265 WeakPolarHBondContact O-CE 3.41Å; D262-K265 PolarHBondContact O-NZ 3.42Å
263E96.9Very high97.2Very high63 Ų6343.7 Ų43.729%0.29423%0.234SC..G310 helixtrans-87.4-9.3172.1-59.1-178.7-95.600112.7M259 E260 M261 K265 I269 Q299M259-E263 HydrophobicContact CG-CB 3.58Å; M259-E263 HydrophobicContact CG-CG 4.49Å; M259-E263 HydrophobicContact SD-CB 4.33Å; E260-E263 PolarHBondContact N-OE1 3.34Å; E260-E263 WeakPolarHBondContact O-CB 3.44Å; E260-E263 PolarHBondContact O-N 2.83Å; M261-E263 VanDerWaalsContact C-N 3.28Å; E263-K265 PolarHBondContact O-N 2.83Å; E263-I269 HydrophobicContact CB-CD1 4.22Å; E263-Q299 PolarHBondContact O-NE2 3.16Å
264I96.9Very high97.4Very high18 Ų1844.6 Ų44.69%0.09224%0.237CC..  trans-71.1102.1178.1-60.1175000110.2L167 V228 I237 M259 M261 Q299 L301L167-I264 HydrophobicContact CD1-CG2 4.15Å; L167-I264 HydrophobicContact CD2-CD1 4.01Å; L167-I264 HydrophobicContact CD2-CG1 4.14Å; L167-I264 HydrophobicContact CD2-CG2 3.94Å; V228-I264 HydrophobicContact CG1-CD1 4.37Å; I237-I264 HydrophobicContact CD1-CD1 4.45Å; M259-I264 HydrophobicContact CE-CG1 4.16Å; M261-I264 HydrophobicContact CE-CD1 3.54Å; M261-I264 PolarHBondContact O-N 2.69Å; M261-I264 HydrophobicContact SD-CD1 3.86Å; I264-Q299 VanDerWaalsContact CA-OE1 3.29Å; I264-L301 HydrophobicContact CG2-CD1 4.5Å; I264-L301 HydrophobicContact CG2-CD2 4.34Å
265K96.4Very high97.5Very high129 Ų12947.4 Ų47.456%0.56125%0.249SC*.  trans-149145.3-175.6-63.3175.6-172.7152.70109.6D262 E263 Q299D262-K265 WeakPolarHBondContact O-CE 3.41Å; D262-K265 PolarHBondContact O-NZ 3.42Å; E263-K265 PolarHBondContact O-N 2.83Å; K265-Q299 VanDerWaalsContact N-OE1 3.1Å; K265-Q299 WeakPolarHBondContact O-CB 3.36Å; K265-Q299 PolarHBondContact O-NE2 2.88Å; K265-Q299 PolarHBondContact O-OE1 3.19Å
266P98Very high97.1Very high103 Ų10350.8 Ų50.867%0.66926%0.264SS*.SBendtrans-63.5141179.926.4-33.6000111.3L301P266-L301 HydrophobicContact CB-CD1 4.06Å
267G98.3Very high96.9Very high14 Ų1453.3 Ų53.314%0.14428%0.281CS..EExtended strand (participates in β ladder)trans108.6-168.6174.600000114.6Q299G267-Q299 PolarHBondContact N-O 2.93Å; G267-Q299 PolarHBondContact O-N 2.87Å
268P98.4Very high96.7Very high105 Ų10553.4 Ų53.468%0.68228%0.281SS*.EExtended strand (participates in β ladder)trans-74.7143.9-175.730.7-34.4000112.1L297P268-L297 WeakPolarHBondContact CA-O 3.39Å
269I98.4Very high96.5Very high30 Ų3054.3 Ų54.315%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-140146170.9-171.6170.9000109.6M259 E263 I271 L297 Q299M259-I269 HydrophobicContact SD-CD1 4.21Å; E263-I269 HydrophobicContact CB-CD1 4.22Å; I269-I271 HydrophobicContact CD1-CG1 4.41Å; I269-I271 HydrophobicContact CG1-CG1 4.26Å; I269-L297 HydrophobicContact CG2-CB 3.74Å; I269-L297 HydrophobicContact CG2-CD1 4.32Å; I269-L297 HydrophobicContact CG2-CG 4.48Å; I269-L297 PolarHBondContact N-O 3Å; I269-L297 PolarHBondContact O-N 2.89Å; I269-L297 VanDerWaalsContact O-O 3.14Å; I269-Q299 HydrophobicContact CG2-CG 3.94Å
270V98.1Very high96.3Very high76 Ų7654.8 Ų54.846%0.46129%0.289SS..EExtended strand (participates in β ladder)trans-118.6137.5170.7-64.50000109.2Y294 L295 H296V270-Y294 HydrophobicContact CB-CG 4.24Å; V270-L295 CarbonylContact C-O 3.53Å; V270-L295 VanDerWaalsContact CA-O 3.29Å; V270-L295 WeakPolarHBondContact CA-O 3.39Å; V270-H296 WeakPolarHBondContact CG1-ND1 3.17Å
271I98.3Very high96.2Very high3 Ų356.1 Ų56.12%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-126.7135.3-175.6-50.6178000109.1F239 A257 F258 M259 I269 Y294 L295 L297F239-I271 HydrophobicContact CE2-CD1 4.28Å; A257-I271 HydrophobicContact CB-CB 4.3Å; A257-I271 HydrophobicContact CB-CG2 3.82Å; F258-I271 WeakPolarHBondContact O-CG2 3.39Å; M259-I271 HydrophobicContact CB-CD1 3.84Å; M259-I271 HydrophobicContact CG-CD1 4.31Å; M259-I271 HydrophobicContact SD-CD1 4.5Å; I269-I271 HydrophobicContact CD1-CG1 4.41Å; I269-I271 HydrophobicContact CG1-CG1 4.26Å; I271-Y294 WeakPolarHBondContact O-CA 3.48Å; I271-Y294 WeakPolarHBondContact O-CB 3.41Å; I271-L295 PolarHBondContact N-O 3.02Å; I271-L295 PolarHBondContact O-N 3.03Å; I271-L297 HydrophobicContact CD1-CD1 3.69Å
272E98.2Very high96.3Very high72 Ų7255.7 Ų55.734%0.33629%0.289SS..  trans-67.2157.6174.470.4-78.117800113.5A257 Y274 L287 Y294A257-E272 WeakPolarHBondContact CB-O 3.21Å; E272-Y274 HydrophobicContact CG-CE1 4.3Å; E272-Y274 HydrophobicContact CG-CE2 3.73Å; E272-Y274 WeakPolarHBondContact CG-OH 3.43Å; E272-Y274 PolarHBondContact OE1-OH 3.29Å; E272-L287 HydrophobicContact CB-CD1 3.78Å; E272-L287 HydrophobicContact CG-CD1 3.84Å; E272-Y294 HydrophobicContact CB-CD1 4.36Å; E272-Y294 HydrophobicContact CB-CE1 4.45Å
273L98.6Very high96.2Very high5 Ų558.2 Ų58.23%0.02630%0.295CS..  trans-106.2137.1-177.5-60173.4000110.3I174 G175 L176 C255 A257 L288 L295I174-L273 HydrophobicContact CD1-CD1 3.99Å; I174-L273 HydrophobicContact CD1-CD2 3.76Å; I174-L273 HydrophobicContact CG1-CD1 3.88Å; I174-L273 HydrophobicContact CG1-CD2 4.14Å; G175-L273 WeakPolarHBondContact O-CD1 3.31Å; L176-L273 HydrophobicContact CD2-CD1 3.66Å; C255-L273 HydrophobicContact CB-CB 4.46Å; A257-L273 HydrophobicContact CB-CD2 4.15Å; L273-L288 HydrophobicContact CB-CB 3.95Å; L273-L288 HydrophobicContact CB-CD2 3.87Å; L273-L288 HydrophobicContact CD1-CD2 4.02Å; L273-L288 VanDerWaalsContact O-CB 3.22Å; L273-L288 WeakPolarHBondContact O-CB 3.4Å; L273-L288 PolarHBondContact O-N 2.86Å; L273-L295 HydrophobicContact CD2-CB 4.14Å
274Y98.5Very high96Very high27 Ų2763.8 Ų63.811%0.10632%0.318CS..EExtended strand (participates in β ladder)trans-111.4147.6178.3-63.6-75.9000111.3C255 F256 F258 E272 L285 Q286 L287C255-Y274 CarbonylContact C-O 3.55Å; C255-Y274 WeakPolarHBondContact CA-O 3.44Å; C255-Y274 WeakPolarHBondContact CB-O 3.44Å; F256-Y274 HydrophobicContact CD2-CD2 4.5Å; F256-Y274 VanDerWaalsContact CE1-CB 3.41Å; F256-Y274 HydrophobicContact CE2-CD2 4.13Å; F256-Y274 HydrophobicContact CE2-CG 4.28Å; F256-Y274 VanDerWaalsContact CZ-CB 3.46Å; F256-Y274 HydrophobicContact CZ-CD2 4.43Å; F256-Y274 HydrophobicContact CZ-CG 4.12Å; F256-Y274 PolarHBondContact N-O 2.89Å; F256-Y274 PolarHBondContact O-N 2.81Å; F258-Y274 HydrophobicContact CD1-CD2 4.27Å; F258-Y274 HydrophobicContact CD1-CE2 4.14Å; F258-Y274 HydrophobicContact CE1-CD2 4.03Å; F258-Y274 AromaticContact CE1-CE2 3.59Å; F258-Y274 HydrophobicContact CE1-CE2 3.59Å; F258-Y274 HydrophobicContact CZ-CE2 4.43Å; E272-Y274 HydrophobicContact CG-CE1 4.3Å; E272-Y274 HydrophobicContact CG-CE2 3.73Å; E272-Y274 WeakPolarHBondContact CG-OH 3.43Å; E272-Y274 PolarHBondContact OE1-OH 3.29Å; Y274-L285 HydrophobicContact CD1-CB 3.72Å; Y274-L285 HydrophobicContact CD1-CD2 4.28Å; Y274-L285 HydrophobicContact CD1-CG 4.44Å; Y274-L285 HydrophobicContact CD2-CD2 4.43Å; Y274-L285 HydrophobicContact CE1-CB 3.58Å; Y274-L285 HydrophobicContact CE1-CD1 4.09Å; Y274-L285 HydrophobicContact CE1-CD2 4.47Å; Y274-L285 HydrophobicContact CE1-CG 4.26Å; Y274-L285 HydrophobicContact CE2-CD1 4.42Å; Y274-L285 HydrophobicContact CG-CD2 4.25Å; Y274-Q286 CarbonylContact C-O 3.52Å; Y274-Q286 VanDerWaalsContact CA-O 3.29Å; Y274-Q286 WeakPolarHBondContact CA-O 3.43Å; Y274-L287 HydrophobicContact CE1-CD1 4.45Å
275K96.3Very high96Very high100 Ų10065.9 Ų65.944%0.43533%0.329SS..EExtended strand (participates in β ladder)trans-67.7142.7177.3-63.7-174.9179.9-1750110.4F256 Q286 L287 L288F256-K275 VanDerWaalsContact CE1-O 3.26Å; F256-K275 WeakPolarHBondContact CE1-O 3.4Å; K275-Q286 HydrophobicContact CB-CB 4.33Å; K275-Q286 HydrophobicContact CD-CB 4.33Å; K275-Q286 HydrophobicContact CG-CB 4.45Å; K275-Q286 PolarHBondContact N-O 2.87Å; K275-L287 WeakPolarHBondContact CE-O 3.22Å; K275-L288 HydrophobicContact CG-CB 4.46Å; K275-L288 HydrophobicContact CG-CD1 4.08Å
276K91.3Very high96Very high71 Ų7165.9 Ų65.931%0.30933%0.331SS..SBendtrans-58.3158.6166.876.2-171.7-164.479.80111.8E29 T253E29-K276 WeakPolarHBondContact OE1-CD 3.27Å; E29-K276 IonicContact OE1-NZ 3.99Å; E29-K276 PolarHBondContact OE1-NZ 2.89Å; T253-K276 WeakPolarHBondContact O-CD 3.49Å
277P93.3Very high96Very high57 Ų5764.4 Ų64.437%0.3732%0.317SS..SBendcis-69154.4-6.829.9-35.2000111.8F21 E29 D279F21-P277 HydrophobicContact CD1-CB 4.36Å; F21-P277 HydrophobicContact CE1-CB 3.66Å; F21-P277 HydrophobicContact CE1-CG 3.69Å; F21-P277 HydrophobicContact CZ-CB 4.32Å; F21-P277 HydrophobicContact CZ-CG 4.02Å; E29-P277 HydrophobicContact CG-CB 4.34Å; P277-D279 PolarHBondContact O-N 3.01Å
278T94.6Very high95.9Very high2 Ų266 Ų661%0.01232%0.322CS..PPolyproline II helixtrans-64.8120.9176.9-52.20000110.5Q26 F238 E240 F256 F280Q26-T278 VanDerWaalsContact NE2-CB 3.26Å; Q26-T278 PolarHBondContact NE2-OG1 3.37Å; F238-T278 HydrophobicContact CD1-CG2 3.9Å; F238-T278 HydrophobicContact CE1-CG2 4.25Å; E240-T278 HydrophobicContact CG-CG2 4.21Å; E240-T278 VanDerWaalsContact OE1-CB 3.28Å; E240-T278 WeakPolarHBondContact OE1-CB 3.48Å; E240-T278 PolarHBondContact OE1-OG1 3.45Å; F256-T278 HydrophobicContact CB-CG2 3.89Å; F256-T278 HydrophobicContact CD1-CG2 4.05Å; F256-T278 HydrophobicContact CD2-CG2 3.73Å; F256-T278 HydrophobicContact CE1-CG2 4.48Å; F256-T278 HydrophobicContact CE2-CG2 4.2Å; F256-T278 HydrophobicContact CG-CG2 3.63Å; T278-F280 HydrophobicContact CG2-CD1 3.64Å; T278-F280 HydrophobicContact CG2-CE1 3.35Å; T278-F280 HydrophobicContact CG2-CE2 4.39Å; T278-F280 HydrophobicContact CG2-CG 4.29Å; T278-F280 HydrophobicContact CG2-CZ 3.76Å; T278-F280 PolarHBondContact O-N 3.27Å
279D93.9Very high95.7Very high36 Ų3662 Ų6219%0.19330%0.296CS..  trans-93.192.4172.8-177.92.3000109.8F256 P277 K281 R282 K283 K284F256-D279 HydrophobicContact CZ-CB 4.44Å; P277-D279 PolarHBondContact O-N 3.01Å; D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 VanDerWaalsContact O-N 3.09Å; D279-K281 WeakPolarHBondContact OD1-CA 3.24Å; D279-K281 WeakPolarHBondContact OD1-CB 3.43Å; D279-K281 PolarHBondContact OD1-N 3.24Å; D279-R282 PolarHBondContact O-N 2.98Å; D279-R282 PolarHBondContact OD1-N 3.22Å; D279-K283 WeakPolarHBondContact OD2-CA 3.47Å; D279-K283 PolarHBondContact OD2-N 3.23Å; D279-K284 PolarHBondContact OD2-N 2.83Å
280F94.8Very high95.6Very high11 Ų1170.1 Ų70.15%0.04833%0.33CS..THydrogen-bonded Turntrans-64.2-13.2179.3-62.1-61.1000114W24 K192 F238 T278W24-F280 HydrophobicContact CB-CE2 4.28Å; K192-F280 HydrophobicContact CD-CD1 4.03Å; K192-F280 HydrophobicContact CD-CE1 4.44Å; K192-F280 HydrophobicContact CD-CG 4.24Å; K192-F280 VanDerWaalsContact CE-CD1 3.42Å; K192-F280 HydrophobicContact CG-CB 4.4Å; K192-F280 HydrophobicContact CG-CD1 3.8Å; K192-F280 HydrophobicContact CG-CE1 4.41Å; K192-F280 HydrophobicContact CG-CG 4.3Å; F238-F280 HydrophobicContact CB-CE1 4.35Å; F238-F280 AromaticContact CD1-CD1 3.71Å; F238-F280 HydrophobicContact CD1-CD1 3.71Å; F238-F280 HydrophobicContact CD1-CE1 4.08Å; F238-F280 HydrophobicContact CD2-CD1 4.15Å; F238-F280 AromaticContact CE1-CD1 3.86Å; F238-F280 HydrophobicContact CE1-CD1 3.86Å; F238-F280 HydrophobicContact CE2-CD1 4.29Å; F238-F280 AromaticContact CG-CD1 3.86Å; F238-F280 HydrophobicContact CG-CD1 3.86Å; F238-F280 HydrophobicContact CG-CE1 4.14Å; F238-F280 HydrophobicContact CZ-CB 4.36Å; F238-F280 HydrophobicContact CZ-CD1 4.15Å; F238-F280 WeakPolarHBondContact CZ-O 3.48Å; T278-F280 HydrophobicContact CG2-CD1 3.64Å; T278-F280 HydrophobicContact CG2-CE1 3.35Å; T278-F280 HydrophobicContact CG2-CE2 4.39Å; T278-F280 HydrophobicContact CG2-CG 4.29Å; T278-F280 HydrophobicContact CG2-CZ 3.76Å; T278-F280 PolarHBondContact O-N 3.27Å
281K93.8Very high95.5Very high97 Ų9772.2 Ų72.242%0.42233%0.333SS..THydrogen-bonded Turntrans-94.6-5.9173.9-64.8178.7179.8173.20112.7N195 D279 K283N195-K281 WeakPolarHBondContact O-CE 3.5Å; D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 VanDerWaalsContact O-N 3.09Å; D279-K281 WeakPolarHBondContact OD1-CA 3.24Å; D279-K281 WeakPolarHBondContact OD1-CB 3.43Å; D279-K281 PolarHBondContact OD1-N 3.24Å; K281-K283 HydrophobicContact CB-CD 4.37Å; K281-K283 HydrophobicContact CB-CG 4.03Å; K281-K283 PolarHBondContact O-N 3.31Å
282R94.9Very high95.4Very high36 Ų3676.4 Ų76.414%0.13636%0.361CS..  trans54.834.4177.8-55.4160.5-73.7-170.1-14.1113.5G234 A236 F238 F258 E260 D279 L285G234-R282 PolarHBondContact O-NH2 3.41Å; A236-R282 VanDerWaalsContact CB-NH1 3.25Å; F238-R282 HydrophobicContact CE1-CG 4.32Å; F238-R282 HydrophobicContact CZ-CG 3.85Å; F258-R282 HydrophobicContact CD1-CG 4.03Å; F258-R282 HydrophobicContact CD2-CG 3.98Å; F258-R282 HydrophobicContact CE1-CB 4.41Å; F258-R282 HydrophobicContact CE1-CG 3.85Å; F258-R282 HydrophobicContact CE2-CB 4.48Å; F258-R282 HydrophobicContact CE2-CG 3.8Å; F258-R282 HydrophobicContact CG-CG 4.09Å; F258-R282 HydrophobicContact CZ-CB 4.12Å; F258-R282 HydrophobicContact CZ-CG 3.73Å; E260-R282 IonicContact OE1-CZ 2.72Å; E260-R282 IonicContact OE1-NE 2.69Å; E260-R282 IonicContact OE1-NH1 3.36Å; E260-R282 PolarHBondContact OE1-NH1 2.81Å; D279-R282 PolarHBondContact O-N 2.98Å; D279-R282 PolarHBondContact OD1-N 3.22Å; R282-L285 HydrophobicContact CB-CD1 4.46Å; R282-L285 HydrophobicContact CB-CD2 4.46Å
283K92.9Very high95.4Very high168 Ų16873.8 Ų73.873%0.7335%0.349SS*.SBendtrans-93-30.8-177-65.8-167.6177.6-170.40113.1D279 K281D279-K283 WeakPolarHBondContact OD2-CA 3.47Å; D279-K283 PolarHBondContact OD2-N 3.23Å; K281-K283 HydrophobicContact CB-CD 4.37Å; K281-K283 HydrophobicContact CB-CG 4.03Å; K281-K283 PolarHBondContact O-N 3.31Å
284K93.1Very high95.4Very high180 Ų18077.5 Ų77.578%0.78336%0.363SS*.SBendtrans-131.780-175.6-67.1-175.2-179.6-178.60109.6D279D279-K284 PolarHBondContact OD2-N 2.83Å
285L96.1Very high95.4Very high62 Ų6276.2 Ų76.233%0.32536%0.358SS..  trans-91.9127.9-178.3-61.9178.6000110.7F256 F258 Y274 R282F256-L285 HydrophobicContact CE2-CD2 4.01Å; F256-L285 HydrophobicContact CZ-CD2 3.77Å; F258-L285 HydrophobicContact CE1-CD1 3.67Å; F258-L285 HydrophobicContact CE1-CD2 3.85Å; F258-L285 HydrophobicContact CE1-CG 4.43Å; F258-L285 HydrophobicContact CZ-CD1 3.72Å; Y274-L285 HydrophobicContact CD1-CB 3.72Å; Y274-L285 HydrophobicContact CD1-CD2 4.28Å; Y274-L285 HydrophobicContact CD1-CG 4.44Å; Y274-L285 HydrophobicContact CD2-CD2 4.43Å; Y274-L285 HydrophobicContact CE1-CB 3.58Å; Y274-L285 HydrophobicContact CE1-CD1 4.09Å; Y274-L285 HydrophobicContact CE1-CD2 4.47Å; Y274-L285 HydrophobicContact CE1-CG 4.26Å; Y274-L285 HydrophobicContact CE2-CD1 4.42Å; Y274-L285 HydrophobicContact CG-CD2 4.25Å; R282-L285 HydrophobicContact CB-CD1 4.46Å; R282-L285 HydrophobicContact CB-CD2 4.46Å
286Q96.9Very high95.5Very high128 Ų12873.2 Ų73.260%0.59835%0.346SS*.  trans-120.7114.4173.6-66.6-172.13.100109.3Y274 K275 L288Y274-Q286 CarbonylContact C-O 3.52Å; Y274-Q286 VanDerWaalsContact CA-O 3.29Å; Y274-Q286 WeakPolarHBondContact CA-O 3.43Å; K275-Q286 HydrophobicContact CB-CB 4.33Å; K275-Q286 HydrophobicContact CD-CB 4.33Å; K275-Q286 HydrophobicContact CG-CB 4.45Å; K275-Q286 PolarHBondContact N-O 2.87Å; Q286-L288 PolarHBondContact O-N 2.67Å
287L96.9Very high95.9Very high73 Ų7369.9 Ų69.938%0.38233%0.331SS..BIsolated β-bridgetrans-59.8133.5-179.2-167.470.1000110.7E272 Y274 K275 T289 K290E272-L287 HydrophobicContact CB-CD1 3.78Å; E272-L287 HydrophobicContact CG-CD1 3.84Å; Y274-L287 HydrophobicContact CE1-CD1 4.45Å; K275-L287 WeakPolarHBondContact CE-O 3.22Å; L287-T289 WeakPolarHBondContact CD2-O 3.27Å; L287-T289 VanDerWaalsContact CG-O 3.27Å; L287-T289 WeakPolarHBondContact CG-O 3.49Å; L287-K290 HydrophobicContact CD2-CG 4.05Å
288L97Very high96.1Very high46 Ų4670.4 Ų70.424%0.24133%0.328CS..SBendtrans-66.6-44.9176.3-178.369.2000110.8L176 C255 L273 K275 Q286L176-L288 HydrophobicContact CD2-CD2 3.66Å; C255-L288 HydrophobicContact CB-CD1 4.3Å; C255-L288 HydrophobicContact CB-CD2 3.7Å; C255-L288 HydrophobicContact CB-CG 4.44Å; L273-L288 HydrophobicContact CB-CB 3.95Å; L273-L288 HydrophobicContact CB-CD2 3.87Å; L273-L288 HydrophobicContact CD1-CD2 4.02Å; L273-L288 VanDerWaalsContact O-CB 3.22Å; L273-L288 WeakPolarHBondContact O-CB 3.4Å; L273-L288 PolarHBondContact O-N 2.86Å; K275-L288 HydrophobicContact CG-CB 4.46Å; K275-L288 HydrophobicContact CG-CD1 4.08Å; Q286-L288 PolarHBondContact O-N 2.67Å
289T94.7Very high96.3Very high23 Ų2370.5 Ų70.514%0.14133%0.329CS..  trans-154.8147.7-179.2-166.70000112.3K177 L287 K291 L293K177-T289 VanDerWaalsContact CE-OG1 3.3Å; K177-T289 WeakPolarHBondContact CE-OG1 3.48Å; L287-T289 WeakPolarHBondContact CD2-O 3.27Å; L287-T289 VanDerWaalsContact CG-O 3.27Å; L287-T289 WeakPolarHBondContact CG-O 3.49Å; T289-K291 HydrophobicContact CG2-CB 4.31Å; T289-K291 PolarHBondContact OG1-N 2.78Å; T289-L293 HydrophobicContact CG2-CB 4.09Å; T289-L293 HydrophobicContact CG2-CD1 4.49Å
290K95.5Very high96.6Very high199 Ų19971.3 Ų71.387%0.86534%0.335SS*.SBendtrans-85.4-7.7169.5-62.4-178179.7179.80113.1L287L287-K290 HydrophobicContact CD2-CG 4.05Å
291K95.9Very high96.7Very high121 Ų12173.3 Ų73.353%0.52635%0.346SS..SBendtrans-67.9153.9175.3-68.4-169.5178.5-174.90109.2K177 T289 L293K177-K291 HydrophobicContact CG-CD 4.41Å; T289-K291 HydrophobicContact CG2-CB 4.31Å; T289-K291 PolarHBondContact OG1-N 2.78Å; K291-L293 HydrophobicContact CB-CD1 4.12Å; K291-L293 HydrophobicContact CB-CG 4.19Å; K291-L293 PolarHBondContact O-N 3.27Å
292P96.9Very high96.8Very high91 Ų9171 Ų7159%0.59134%0.336SS*.SBendtrans-74.861.9179.932.6-37.1000111.8Y294P292-Y294 VanDerWaalsContact C-CE2 3.46Å; P292-Y294 HydrophobicContact CB-CE2 3.76Å
293L97.9Very high96.7Very high16 Ų1676.2 Ų76.28%0.08436%0.36CS..  trans-120.9106.6-178.2-68.4175.5000107.7K177 T289 K291K177-L293 HydrophobicContact CG-CD1 3.91Å; T289-L293 HydrophobicContact CG2-CB 4.09Å; T289-L293 HydrophobicContact CG2-CD1 4.49Å; K291-L293 HydrophobicContact CB-CD1 4.12Å; K291-L293 HydrophobicContact CB-CG 4.19Å; K291-L293 PolarHBondContact O-N 3.27Å
294Y98.5Very high95.9Very high83 Ų8372.4 Ų72.433%0.32535%0.348SS..  trans-125.5165.4-168-56.7-76000111.5G175 V270 I271 E272 P292 H296G175-Y294 PolarHBondContact N-O 2.85Å; V270-Y294 HydrophobicContact CB-CG 4.24Å; I271-Y294 WeakPolarHBondContact O-CA 3.48Å; I271-Y294 WeakPolarHBondContact O-CB 3.41Å; E272-Y294 HydrophobicContact CB-CD1 4.36Å; E272-Y294 HydrophobicContact CB-CE1 4.45Å; P292-Y294 VanDerWaalsContact C-CE2 3.46Å; P292-Y294 HydrophobicContact CB-CE2 3.76Å; Y294-H296 PolarHBondContact O-CD2 3.22Å
295L98.8Very high94.1Very high1 Ų172.5 Ų72.51%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-80.8124.5158.6178.561.1000108.9I171 I174 M187 F239 A257 V270 I271 L273 L297I171-L295 HydrophobicContact CG2-CD1 4.21Å; I174-L295 HydrophobicContact CB-CD1 4.1Å; I174-L295 HydrophobicContact CG1-CD1 4.35Å; M187-L295 HydrophobicContact CE-CD1 3.93Å; M187-L295 HydrophobicContact CE-CD2 4.29Å; M187-L295 HydrophobicContact SD-CD1 4.1Å; M187-L295 HydrophobicContact SD-CD2 4.22Å; F239-L295 HydrophobicContact CB-CD2 3.61Å; F239-L295 HydrophobicContact CD1-CD2 4.07Å; F239-L295 HydrophobicContact CD2-CD2 3.9Å; F239-L295 HydrophobicContact CG-CD2 3.6Å; A257-L295 HydrophobicContact CB-CB 4.44Å; A257-L295 HydrophobicContact CB-CD2 3.91Å; V270-L295 CarbonylContact C-O 3.53Å; V270-L295 VanDerWaalsContact CA-O 3.29Å; V270-L295 WeakPolarHBondContact CA-O 3.39Å; I271-L295 PolarHBondContact N-O 3.02Å; I271-L295 PolarHBondContact O-N 3.03Å; L273-L295 HydrophobicContact CD2-CB 4.14Å; L295-L297 HydrophobicContact CD1-CD2 4.11Å; L295-L297 HydrophobicContact CD2-CD1 4.3Å; L295-L297 HydrophobicContact CD2-CD2 4.02Å; L295-L297 HydrophobicContact CD2-CG 4.3Å; L295-L297 HydrophobicContact CG-CD2 3.85Å; L295-L297 HydrophobicContact CG-CG 4.06Å
296H98.8Very high94Very high37 Ų3773.1 Ų73.117%0.17137%0.374CS..EExtended strand (participates in β ladder)trans-101.7123.1178.1-70.1-111.5000110.2E172 K173 V270 Y294E172-H296 HydrophobicContact CB-CB 4.11Å; E172-H296 PolarHBondContact N-O 3.37Å; K173-H296 HydrophobicContact CG-CB 3.97Å; K173-H296 PolarHBondContact O-N 2.99Å; V270-H296 WeakPolarHBondContact CG1-ND1 3.17Å; Y294-H296 PolarHBondContact O-CD2 3.22Å
297L98.7Very high93.9Very high0 Ų070.2 Ų70.20%036%0.362CS..EExtended strand (participates in β ladder)trans-127.1153.6179.7-52.1175000110.9R170 I171 F239 P268 I269 I271 L295R170-L297 CarbonylContact O-C 3.58Å; R170-L297 VanDerWaalsContact O-CA 3.25Å; R170-L297 WeakPolarHBondContact O-CA 3.24Å; I171-L297 HydrophobicContact CB-CD2 4.24Å; I171-L297 HydrophobicContact CG1-CD2 3.85Å; I171-L297 HydrophobicContact CG2-CD2 4.4Å; F239-L297 HydrophobicContact CE1-CD1 4Å; F239-L297 HydrophobicContact CE1-CD2 4.28Å; F239-L297 HydrophobicContact CE2-CD1 3.81Å; F239-L297 HydrophobicContact CZ-CD1 3.47Å; F239-L297 VanDerWaalsContact CZ-CD1 3.47Å; P268-L297 WeakPolarHBondContact CA-O 3.39Å; I269-L297 HydrophobicContact CG2-CB 3.74Å; I269-L297 HydrophobicContact CG2-CD1 4.32Å; I269-L297 HydrophobicContact CG2-CG 4.48Å; I269-L297 PolarHBondContact N-O 3Å; I269-L297 PolarHBondContact O-N 2.89Å; I269-L297 VanDerWaalsContact O-O 3.14Å; I271-L297 HydrophobicContact CD1-CD1 3.69Å; L295-L297 HydrophobicContact CD1-CD2 4.11Å; L295-L297 HydrophobicContact CD2-CD1 4.3Å; L295-L297 HydrophobicContact CD2-CD2 4.02Å; L295-L297 HydrophobicContact CD2-CG 4.3Å; L295-L297 HydrophobicContact CG-CD2 3.85Å; L295-L297 HydrophobicContact CG-CG 4.06Å
298H98.7Very high93.7Very high69 Ų6970 Ų7032%0.31936%0.361SS..EExtended strand (participates in β ladder)trans-121.3125.7164.7-166.5100.8000109.9R170R170-H298 HydrophobicContact CB-CB 4.11Å; R170-H298 PolarHBondContact N-O 2.6Å; R170-H298 PolarHBondContact O-N 3.03Å
299Q98.6Very high93.5Very high4 Ų471.4 Ų71.42%0.01937%0.368CS..EExtended strand (participates in β ladder)trans-99.1127.5-176.5-48.2-169.94900110.5L167 L169 E263 I264 K265 G267 I269L167-Q299 HydrophobicContact CD1-CB 4.26Å; L169-Q299 HydrophobicContact CD2-CB 4.14Å; L169-Q299 HydrophobicContact CD2-CG 3.69Å; E263-Q299 PolarHBondContact O-NE2 3.16Å; I264-Q299 VanDerWaalsContact CA-OE1 3.29Å; K265-Q299 VanDerWaalsContact N-OE1 3.1Å; K265-Q299 WeakPolarHBondContact O-CB 3.36Å; K265-Q299 PolarHBondContact O-NE2 2.88Å; K265-Q299 PolarHBondContact O-OE1 3.19Å; G267-Q299 PolarHBondContact N-O 2.93Å; G267-Q299 PolarHBondContact O-N 2.87Å; I269-Q299 HydrophobicContact CG2-CG 3.94Å
300T98.6Very high93.5Very high53 Ų5374.4 Ų74.433%0.32538%0.382SS..EExtended strand (participates in β ladder)trans-119.2121.8173.1-49.40000109.4T168 H302T168-T300 PolarHBondContact N-O 2.81Å; T168-T300 PolarHBondContact O-N 2.63Å; T300-H302 VanDerWaalsContact CG2-CE1 3.4Å; T300-H302 WeakPolarHBondContact CG2-CE1 3.44Å; T300-H302 WeakPolarHBondContact CG2-NE2 3.49Å
301L97.9Very high93.3Very high52 Ų5266.1 Ų66.127%0.27235%0.35SS..EExtended strand (participates in β ladder)trans-99.4120.9176.3-73.778.4000109T165 L166 L167 I264 P266T165-L301 HydrophobicContact CG2-CB 3.84Å; T165-L301 HydrophobicContact CG2-CD2 4.07Å; T165-L301 HydrophobicContact CG2-CG 4.14Å; L166-L301 WeakPolarHBondContact O-CA 3.46Å; L167-L301 HydrophobicContact CD1-CD1 4.32Å; I264-L301 HydrophobicContact CG2-CD1 4.5Å; I264-L301 HydrophobicContact CG2-CD2 4.34Å; P266-L301 HydrophobicContact CB-CD1 4.06Å
302H96.6Very high93.1Very high48 Ų4862.2 Ų62.222%0.22234%0.337CS..EExtended strand (participates in β ladder)trans-102.6111178-59.9-73.7000108.9R157 T165 L166 T168 T300R157-H302 VanDerWaalsContact CZ-CD2 3.47Å; R157-H302 PolarHBondContact NH1-CE1 2.79Å; R157-H302 VanDerWaalsContact NH1-CE1 3.27Å; R157-H302 PolarHBondContact NH1-ND1 2.67Å; R157-H302 PolarHBondContact NH1-NE2 3.27Å; R157-H302 PolarHBondContact NH2-NE2 3.08Å; T165-H302 WeakPolarHBondContact CA-O 3.36Å; L166-H302 HydrophobicContact CB-CB 4.19Å; L166-H302 PolarHBondContact N-O 3.3Å; L166-H302 PolarHBondContact O-N 3.33Å; T168-H302 PolarHBondContact OG1-CD2 3.06Å; T168-H302 VanDerWaalsContact OG1-CD2 3.23Å; T168-H302 PolarHBondContact OG1-NE2 3.32Å; T300-H302 VanDerWaalsContact CG2-CE1 3.4Å; T300-H302 WeakPolarHBondContact CG2-CE1 3.44Å; T300-H302 WeakPolarHBondContact CG2-NE2 3.49Å
303K90.9Very high92.8Very high147 Ų14760 Ų6064%0.63932%0.318SS*.EExtended strand (participates in β ladder)trans-108.5133.8172.7-68.1-174.3176.1-173.50108.9T165T165-K303 HydrophobicContact CG2-CG 3.84Å; T165-K303 WeakPolarHBondContact OG1-CE 3.17Å; T165-K303 WeakPolarHBondContact OG1-CG 3.31Å
304D76.8Confident92.4Very high87 Ų8763.7 Ų63.747%0.46534%0.337SS..  trans-72.8132.3165.2-143.5-3.8000108.1
305S56.5Low91.9Very high183 Ų18361.9 Ų61.9100%1.2834%0.338SS*.  trans-85.70-176.3-560000111.5

Retrieved 305 of 305 residues in 78.2 ms (Link to these results)

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