A0A024QZT4_HUMAN Loading...

Testicular tissue protein Li 180

AlphaFold DB (P50453), UniProt , Accession A0A024QZT4, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 376 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
1M65.3Low89.1Confident120 Ų12042.7 Ų42.759%0.59123%0.225SC*.  0-43.90-81.1-163.4-75.400111.7T3 L4 S5M1-T3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-S5 PolarHBondContact O-N 2.92Å
2E78.4Confident89.8Confident150 Ų15039.2 Ų39.270%0.70121%0.206SC*.Hα-helixtrans-56.5-45.6-179.4-169.6172.4-177.900113.9L4 S5 N6E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.39Å; E2-S5 WeakPolarHBondContact O-CB 3.18Å; E2-S5 PolarHBondContact O-N 3.45Å; E2-S5 VanDerWaalsContact O-N 3.14Å; E2-N6 PolarHBondContact O-N 3.41Å
3T85.6Confident90.4Very high58 Ų5836.7 Ų36.736%0.35619%0.193SC..Hα-helixtrans-56.2-46.6176-41.60000112.2M1 S5 N6 A7 E64M1-T3 PolarHBondContact O-N 2.91Å; T3-S5 PolarHBondContact O-N 3.18Å; T3-N6 PolarHBondContact O-N 3.4Å; T3-A7 WeakPolarHBondContact O-CB 3.45Å; T3-A7 PolarHBondContact O-N 2.84Å; T3-E64 WeakPolarHBondContact CB-OE2 3.25Å; T3-E64 WeakPolarHBondContact CG2-OE1 3.35Å; T3-E64 WeakPolarHBondContact CG2-OE2 3.4Å; T3-E64 PolarHBondContact OG1-OE1 2.87Å; T3-E64 PolarHBondContact OG1-OE2 3.2Å
4L90.4Very high90.8Very high9 Ų940.7 Ų40.75%0.04721%0.205CC..Hα-helixtrans-66.2-38.2178.2178.362.8000112.2M1 E2 N6 A7 S8 L60 A69 F70 L73M1-L4 PolarHBondContact O-N 2.81Å; E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.39Å; L4-N6 VanDerWaalsContact C-N 3.35Å; L4-A7 PolarHBondContact O-N 3.16Å; L4-S8 WeakPolarHBondContact O-CB 3.47Å; L4-S8 PolarHBondContact O-N 2.91Å; L4-S8 PolarHBondContact O-OG 3.41Å; L4-L60 HydrophobicContact CD1-CD2 3.99Å; L4-A69 HydrophobicContact CB-CB 4.06Å; L4-A69 VanDerWaalsContact CD2-C 3.4Å; L4-A69 HydrophobicContact CD2-CB 3.79Å; L4-A69 WeakPolarHBondContact CD2-O 3.41Å; L4-A69 HydrophobicContact CG-CB 4.46Å; L4-F70 HydrophobicContact CD1-CD1 4.19Å; L4-F70 HydrophobicContact CD1-CD2 4.18Å; L4-F70 HydrophobicContact CD1-CE1 3.75Å; L4-F70 HydrophobicContact CD1-CE2 3.72Å; L4-F70 HydrophobicContact CD1-CG 4.39Å; L4-F70 HydrophobicContact CD1-CZ 3.5Å; L4-F70 HydrophobicContact CD2-CD1 3.98Å; L4-F70 HydrophobicContact CD2-CE1 4.3Å; L4-F70 HydrophobicContact CD2-CG 4.11Å; L4-L73 HydrophobicContact CD2-CB 4.12Å; L4-L73 HydrophobicContact CD2-CD2 3.93Å
5S90.3Very high91.1Very high2 Ų238 Ų381%0.01419%0.191CC..Hα-helixtrans-61.2-44.9175.6-175.10000111M1 E2 T3 G9 A364 N365M1-S5 PolarHBondContact O-N 2.92Å; E2-S5 WeakPolarHBondContact O-CB 3.18Å; E2-S5 PolarHBondContact O-N 3.45Å; E2-S5 VanDerWaalsContact O-N 3.14Å; T3-S5 PolarHBondContact O-N 3.18Å; S5-G9 PolarHBondContact O-N 2.82Å; S5-A364 PolarHBondContact OG-O 3.43Å; S5-N365 PolarHBondContact OG-O 3.4Å
6N92.9Very high91.4Very high66 Ų6635.9 Ų35.935%0.35318%0.18SC..Hα-helixtrans-65.6-43.9177.8-69.7-16.9000112.2E2 T3 L4 T10E2-N6 PolarHBondContact O-N 3.41Å; T3-N6 PolarHBondContact O-N 3.4Å; L4-N6 VanDerWaalsContact C-N 3.35Å; N6-T10 WeakPolarHBondContact O-CB 3.46Å; N6-T10 PolarHBondContact O-N 3.41Å; N6-T10 PolarHBondContact O-OG1 3.12Å
7A94Very high91.6Very high7 Ų737.6 Ų37.66%0.05819%0.187CC..Hα-helixtrans-61.1-52175.400000111.5T3 L4 G9 T10 F11 S59 L60T3-A7 WeakPolarHBondContact O-CB 3.45Å; T3-A7 PolarHBondContact O-N 2.84Å; L4-A7 PolarHBondContact O-N 3.16Å; A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 3.19Å; A7-T10 PolarHBondContact O-N 3.21Å; A7-F11 WeakPolarHBondContact O-CB 3.46Å; A7-F11 PolarHBondContact O-N 3.14Å; A7-S59 WeakPolarHBondContact CB-O 3.2Å; A7-L60 HydrophobicContact CB-CD2 4.04Å
8S93.7Very high91.8Very high2 Ų237.2 Ų37.21%0.01419%0.185CC..Hα-helixtrans-64.5-37.5-179.3-57.80000112.1L4 A12L4-S8 WeakPolarHBondContact O-CB 3.47Å; L4-S8 PolarHBondContact O-N 2.91Å; L4-S8 PolarHBondContact O-OG 3.41Å; S8-A12 VanDerWaalsContact O-CB 3.29Å; S8-A12 WeakPolarHBondContact O-CB 3.04Å; S8-A12 PolarHBondContact O-N 2.65Å
9G95.7Very high91.9Very high0 Ų036.4 Ų36.40%018%0.181CC..Hα-helixtrans-67.5-42.1175.100000112.6S5 A7 A12 I13S5-G9 PolarHBondContact O-N 2.82Å; A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 3.19Å; G9-A12 WeakPolarHBondContact O-CB 3.44Å; G9-A12 PolarHBondContact O-N 2.9Å; G9-I13 WeakPolarHBondContact O-CG1 3.3Å; G9-I13 PolarHBondContact O-N 2.93Å; G9-I13 VanDerWaalsContact O-N 3.1Å
10T96.8Very high91.9Very high56 Ų5634.9 Ų34.934%0.34417%0.174SC..Hα-helixtrans-62.8-45.4174.6-59.30000111.1N6 A7 A12 I13 R14N6-T10 WeakPolarHBondContact O-CB 3.46Å; N6-T10 PolarHBondContact O-N 3.41Å; N6-T10 PolarHBondContact O-OG1 3.12Å; A7-T10 PolarHBondContact O-N 3.21Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.06Å; T10-I13 PolarHBondContact O-N 3.31Å; T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 2.98Å; T10-R14 VanDerWaalsContact O-N 3.08Å
11F97.1Very high91.7Very high0 Ų039.7 Ų39.70%020%0.196CC..Hα-helixtrans-59.1-44.4172.9174.9-103.1000111.8A7 I13 R14 L15 P32 I35 S36 L39 A57 L58 L287A7-F11 WeakPolarHBondContact O-CB 3.46Å; A7-F11 PolarHBondContact O-N 3.14Å; F11-I13 PolarHBondContact O-N 2.93Å; F11-R14 PolarHBondContact O-N 3.31Å; F11-L15 HydrophobicContact CE1-CD2 3.93Å; F11-L15 HydrophobicContact CZ-CB 4.48Å; F11-L15 HydrophobicContact CZ-CD2 4.12Å; F11-L15 VanDerWaalsContact O-CB 3.28Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 PolarHBondContact O-N 2.9Å; F11-P32 HydrophobicContact CD1-CB 4.17Å; F11-P32 HydrophobicContact CE1-CB 4.42Å; F11-I35 HydrophobicContact CE1-CB 4.16Å; F11-I35 HydrophobicContact CE1-CG2 3.74Å; F11-I35 HydrophobicContact CZ-CG2 3.64Å; F11-S36 WeakPolarHBondContact CD1-OG 3.29Å; F11-S36 WeakPolarHBondContact CE1-OG 3.37Å; F11-L39 HydrophobicContact CZ-CD1 4.44Å; F11-A57 WeakPolarHBondContact CD2-O 3.28Å; F11-L58 HydrophobicContact CD1-CD2 4.38Å; F11-L58 HydrophobicContact CD2-CD2 3.85Å; F11-L58 HydrophobicContact CE1-CD2 4.3Å; F11-L58 HydrophobicContact CE2-CD2 3.76Å; F11-L58 HydrophobicContact CG-CD2 4.16Å; F11-L58 HydrophobicContact CZ-CD2 4Å; F11-L287 HydrophobicContact CE2-CD1 3.88Å
12A97.1Very high92.2Very high0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-55.5-47.4178.200000112.8S8 G9 T10 L16 P32 I367S8-A12 VanDerWaalsContact O-CB 3.29Å; S8-A12 WeakPolarHBondContact O-CB 3.04Å; S8-A12 PolarHBondContact O-N 2.65Å; G9-A12 WeakPolarHBondContact O-CB 3.44Å; G9-A12 PolarHBondContact O-N 2.9Å; T10-A12 VanDerWaalsContact C-N 3.35Å; T10-A12 PolarHBondContact O-N 3.06Å; A12-L16 VanDerWaalsContact O-CB 3.29Å; A12-L16 WeakPolarHBondContact O-CB 3.39Å; A12-L16 PolarHBondContact O-N 3.49Å; A12-P32 HydrophobicContact CB-CB 3.42Å; A12-P32 VanDerWaalsContact CB-CB 3.42Å; A12-P32 HydrophobicContact CB-CG 3.45Å; A12-P32 VanDerWaalsContact CB-CG 3.45Å; A12-I367 HydrophobicContact CB-CB 4.39Å; A12-I367 HydrophobicContact CB-CD1 4.23Å; A12-I367 HydrophobicContact CB-CG2 4.35Å
13I97.3Very high92.4Very high7 Ų737.4 Ų37.44%0.03619%0.191CC..Hα-helixtrans-70.7-38.6-179.7-58.8-49.3000111.5G9 T10 F11 K17 L246 F248 L251 F358 I367G9-I13 WeakPolarHBondContact O-CG1 3.3Å; G9-I13 PolarHBondContact O-N 2.93Å; G9-I13 VanDerWaalsContact O-N 3.1Å; T10-I13 PolarHBondContact O-N 3.31Å; F11-I13 PolarHBondContact O-N 2.93Å; I13-K17 HydrophobicContact CG2-CD 4.22Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 VanDerWaalsContact O-CG 3.3Å; I13-K17 WeakPolarHBondContact O-CG 3.45Å; I13-K17 PolarHBondContact O-N 2.91Å; I13-L246 HydrophobicContact CD1-CD2 3.81Å; I13-L246 HydrophobicContact CD1-CG 4.1Å; I13-L246 HydrophobicContact CG2-CD2 4.31Å; I13-L246 HydrophobicContact CG2-CG 4.05Å; I13-L246 WeakPolarHBondContact CG2-O 3.27Å; I13-F248 HydrophobicContact CG1-CB 4.05Å; I13-L251 HydrophobicContact CD1-CD2 4.5Å; I13-F358 HydrophobicContact CD1-CE1 3.8Å; I13-F358 HydrophobicContact CD1-CZ 4.35Å; I13-I367 HydrophobicContact CD1-CD1 4.43Å
14R96.3Very high92.3Very high93 Ų9339.2 Ų39.235%0.35120%0.204SC..Hα-helixtrans-63-44.5175-72.8176.166.5-171.8-1.7111.7T10 F11 K17 I18 L287T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 2.98Å; T10-R14 VanDerWaalsContact O-N 3.08Å; F11-R14 PolarHBondContact O-N 3.31Å; R14-K17 PolarHBondContact O-N 3.23Å; R14-I18 WeakPolarHBondContact O-CG1 3.14Å; R14-I18 PolarHBondContact O-N 3.33Å; R14-L287 HydrophobicContact CB-CD2 4.14Å
15L96.2Very high92.1Very high0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-62.1-51177176.961000110.8F11 K17 I18 L19 I35 M280 V283 L287F11-L15 HydrophobicContact CE1-CD2 3.93Å; F11-L15 HydrophobicContact CZ-CB 4.48Å; F11-L15 HydrophobicContact CZ-CD2 4.12Å; F11-L15 VanDerWaalsContact O-CB 3.28Å; F11-L15 WeakPolarHBondContact O-CB 3.3Å; F11-L15 PolarHBondContact O-N 2.9Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.48Å; L15-I18 PolarHBondContact O-N 3.4Å; L15-L19 HydrophobicContact CD1-CD1 4.05Å; L15-L19 HydrophobicContact CD1-CG 4.1Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.91Å; L15-I35 HydrophobicContact CD2-CD1 3.49Å; L15-I35 VanDerWaalsContact CD2-CD1 3.49Å; L15-M280 HydrophobicContact CD1-CE 3.98Å; L15-V283 HydrophobicContact CD1-CG1 3.43Å; L15-V283 VanDerWaalsContact CD1-CG1 3.43Å; L15-L287 HydrophobicContact CD1-CD1 4.45Å
16L95.9Very high92.1Very high4 Ų445.9 Ų45.92%0.02124%0.24CC..Hα-helixtrans-55.6-44.5177.8-177.564.8000111.6A12 I18 L19 C20 V28 L246 L356 F358 C370A12-L16 VanDerWaalsContact O-CB 3.29Å; A12-L16 WeakPolarHBondContact O-CB 3.39Å; A12-L16 PolarHBondContact O-N 3.49Å; L16-I18 VanDerWaalsContact C-N 3.28Å; L16-I18 PolarHBondContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.38Å; L16-C20 WeakPolarHBondContact O-CB 3.36Å; L16-C20 PolarHBondContact O-N 2.89Å; L16-C20 PolarHBondContact O-SG 3.42Å; L16-C20 VanDerWaalsContact O-SG 3.35Å; L16-V28 HydrophobicContact CD1-CG1 3.93Å; L16-L246 HydrophobicContact CD2-CD2 4.43Å; L16-L356 HydrophobicContact CD2-CD1 4.41Å; L16-L356 HydrophobicContact CD2-CD2 4.3Å; L16-F358 HydrophobicContact CD2-CE1 3.86Å; L16-F358 HydrophobicContact CD2-CZ 4.02Å; L16-C370 HydrophobicContact CD2-CB 4.36Å
17K94.7Very high92.2Very high66 Ų6643.8 Ų43.829%0.28723%0.229SC..Hα-helixtrans-60.6-33.4177.1-80.9177162.7-179.80113.7I13 R14 L15 Q21 E243 K244 L246I13-K17 HydrophobicContact CG2-CD 4.22Å; I13-K17 WeakPolarHBondContact O-CB 3.44Å; I13-K17 VanDerWaalsContact O-CG 3.3Å; I13-K17 WeakPolarHBondContact O-CG 3.45Å; I13-K17 PolarHBondContact O-N 2.91Å; R14-K17 PolarHBondContact O-N 3.23Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.48Å; K17-Q21 VanDerWaalsContact O-CG 3.3Å; K17-Q21 WeakPolarHBondContact O-CG 3.44Å; K17-Q21 PolarHBondContact O-NE2 3.41Å; K17-Q21 VanDerWaalsContact O-NE2 3.17Å; K17-E243 WeakPolarHBondContact CE-O 3.33Å; K17-K244 PolarHBondContact NZ-O 3.46Å; K17-L246 VanDerWaalsContact CE-O 3.27Å; K17-L246 WeakPolarHBondContact CE-O 3.32Å; K17-L246 PolarHBondContact NZ-O 3.05Å
18I93.9Very high92.3Very high30 Ų3043.7 Ų43.715%0.15423%0.227CC..Hα-helixtrans-74.5-47.9176.2-68.6170.1000109.6R14 L15 L16 C20 Q21 V283 H286 L287R14-I18 WeakPolarHBondContact O-CG1 3.14Å; R14-I18 PolarHBondContact O-N 3.33Å; L15-I18 PolarHBondContact O-N 3.4Å; L16-I18 VanDerWaalsContact C-N 3.28Å; L16-I18 PolarHBondContact O-N 3.15Å; I18-C20 PolarHBondContact O-N 2.95Å; I18-Q21 WeakPolarHBondContact O-CB 3.42Å; I18-Q21 PolarHBondContact O-N 3.05Å; I18-Q21 VanDerWaalsContact O-N 3.16Å; I18-V283 HydrophobicContact CG2-CG1 4.07Å; I18-H286 HydrophobicContact CD1-CB 4.36Å; I18-L287 HydrophobicContact CD1-CD1 4.12Å; I18-L287 HydrophobicContact CD1-CD2 3.37Å; I18-L287 HydrophobicContact CD1-CG 3.44Å; I18-L287 VanDerWaalsContact CD1-CG 3.44Å
19L93.8Very high92.4Very high21 Ų2143.6 Ų43.611%0.1123%0.227CC..Hα-helixtrans-63.1-28.9-179.4-62.7179.3000112.9L15 L16 V28 C30 Y278 V283L15-L19 HydrophobicContact CD1-CD1 4.05Å; L15-L19 HydrophobicContact CD1-CG 4.1Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 3.38Å; L19-V28 HydrophobicContact CB-CG1 3.65Å; L19-V28 HydrophobicContact CB-CG2 4.44Å; L19-V28 HydrophobicContact CD1-CG1 3.99Å; L19-V28 HydrophobicContact CG-CG1 4.49Å; L19-C30 HydrophobicContact CD1-CB 4.26Å; L19-Y278 HydrophobicContact CD1-CD1 4.41Å; L19-Y278 HydrophobicContact CD1-CE1 3.89Å; L19-Y278 HydrophobicContact CD2-CD1 3.65Å; L19-Y278 HydrophobicContact CD2-CE1 3.65Å; L19-Y278 HydrophobicContact CG-CE1 4.26Å; L19-V283 HydrophobicContact CD2-CG1 4.25Å; L19-V283 HydrophobicContact CD2-CG2 3.91Å
20C92.5Very high92.4Very high7 Ų743.6 Ų43.65%0.04723%0.227CC..THydrogen-bonded Turntrans-80.4-8.9178.3-74.80000115L16 I18 E243 R372L16-C20 WeakPolarHBondContact O-CB 3.36Å; L16-C20 PolarHBondContact O-N 2.89Å; L16-C20 PolarHBondContact O-SG 3.42Å; L16-C20 VanDerWaalsContact O-SG 3.35Å; I18-C20 PolarHBondContact O-N 2.95Å; C20-E243 WeakPolarHBondContact CB-OE1 3.34Å; C20-E243 PolarHBondContact SG-OE1 2.92Å; C20-R372 PolarHBondContact O-NH1 2.85Å; C20-R372 VanDerWaalsContact O-NH1 3.16Å
21Q87.7Confident92.4Very high135 Ų13541 Ų4163%0.63121%0.211SC*.SBendtrans-71.5-34.8-172.2-85.1165.229.800114.6K17 I18K17-Q21 VanDerWaalsContact O-CG 3.3Å; K17-Q21 WeakPolarHBondContact O-CG 3.44Å; K17-Q21 PolarHBondContact O-NE2 3.41Å; K17-Q21 VanDerWaalsContact O-NE2 3.17Å; I18-Q21 WeakPolarHBondContact O-CB 3.42Å; I18-Q21 PolarHBondContact O-N 3.05Å; I18-Q21 VanDerWaalsContact O-N 3.16Å
22D76.1Confident92.4Very high151 Ų15141 Ų4181%0.80721%0.211SC*.SBendtrans-78.6-46.9-164.5-65.7-32.1000113.1
23N82.6Confident92.3Very high71 Ų7141.4 Ų41.438%0.3821%0.213SC..  trans-140.5106.5-176.1-174.4-6.7000111.8S25 H26 R372N23-S25 PolarHBondContact O-N 2.99Å; N23-S25 PolarHBondContact OD1-N 3.11Å; N23-S25 PolarHBondContact OD1-OG 3.37Å; N23-H26 HydrophobicContact CB-CB 4.04Å; N23-H26 PolarHBondContact O-N 3.27Å; N23-H26 VanDerWaalsContact O-N 3.17Å; N23-R372 PolarHBondContact O-NH2 3.03Å
24P84.3Confident92.2Very high96 Ų9641.3 Ų41.362%0.62321%0.213SC*.THydrogen-bonded Turntrans-58.2-28.4179.1-25.935.1000115.1S374P24-S374 WeakPolarHBondContact O-CB 3.4Å; P24-S374 PolarHBondContact O-OG 2.93Å
25S84.5Confident92.2Very high52 Ų5236.9 Ų36.936%0.36420%0.197SC..THydrogen-bonded Turntrans-85.6-7.1-177.974.50000113.6N23N23-S25 PolarHBondContact O-N 2.99Å; N23-S25 PolarHBondContact OD1-N 3.11Å; N23-S25 PolarHBondContact OD1-OG 3.37Å
26H90.9Very high92.2Very high100 Ų10036.9 Ų36.946%0.46320%0.197SC..SBendtrans-88.5143.4179.4-158.6-89.1000111.3N23 E276 R372N23-H26 HydrophobicContact CB-CB 4.04Å; N23-H26 PolarHBondContact O-N 3.27Å; N23-H26 VanDerWaalsContact O-N 3.17Å; H26-E276 IonicContact CE1-OE1 3.84Å; H26-E276 IonicContact CE1-OE2 2.8Å; H26-E276 PolarHBondContact CE1-OE2 3.4Å; H26-R372 PolarHBondContact O-NE 2.81Å; H26-R372 PolarHBondContact O-NH2 2.94Å
27N95.3Very high92.2Very high22 Ų2236.8 Ų36.812%0.11820%0.196CC..  trans-67.6152.5170.5-65.7-32.6000110.3L274 R372 F373 S374 S375N27-L274 HydrophobicContact CB-CD2 3.69Å; N27-L274 VanDerWaalsContact ND2-CD2 3.26Å; N27-L274 WeakPolarHBondContact ND2-CD2 3.38Å; N27-R372 CarbonylContact C-O 3.6Å; N27-R372 WeakPolarHBondContact CA-O 3.42Å; N27-F373 WeakPolarHBondContact OD1-CA 3.31Å; N27-S374 PolarHBondContact OD1-N 3.18Å; N27-S375 PolarHBondContact ND2-O 3.3Å; N27-S375 PolarHBondContact OD1-N 3.24Å; N27-S375 PolarHBondContact OD1-O 2.78Å
28V96.1Very high92.3Very high4 Ų433.6 Ų33.62%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-131.3136.7172.21760000106.6L16 L19 G371 R372L16-V28 HydrophobicContact CD1-CG1 3.93Å; L19-V28 HydrophobicContact CB-CG1 3.65Å; L19-V28 HydrophobicContact CB-CG2 4.44Å; L19-V28 HydrophobicContact CD1-CG1 3.99Å; L19-V28 HydrophobicContact CG-CG1 4.49Å; V28-G371 CarbonylContact O-C 3.58Å; V28-G371 WeakPolarHBondContact O-CA 3.37Å; V28-R372 HydrophobicContact CB-CB 4.11Å; V28-R372 HydrophobicContact CG2-CB 4.48Å; V28-R372 PolarHBondContact N-O 2.75Å; V28-R372 PolarHBondContact O-N 3.39Å
29F96.1Very high92.4Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-153.8128.5175.2-177.9-118.7000109.6L274 E276 Y278 S318 V320 F357 F369 C370F29-L274 HydrophobicContact CB-CB 4.14Å; F29-L274 HydrophobicContact CB-CD1 4.26Å; F29-L274 HydrophobicContact CD1-CB 4.43Å; F29-L274 HydrophobicContact CG-CB 4.31Å; F29-E276 HydrophobicContact CB-CB 4.27Å; F29-E276 HydrophobicContact CB-CG 3.73Å; F29-E276 WeakPolarHBondContact O-CB 3.35Å; F29-Y278 PolarHBondContact N-OH 3.35Å; F29-Y278 VanDerWaalsContact N-OH 3.08Å; F29-Y278 WeakPolarHBondContact O-CE2 3.22Å; F29-Y278 PolarHBondContact O-OH 3.2Å; F29-S318 WeakPolarHBondContact CD1-OG 3.35Å; F29-S318 WeakPolarHBondContact CE1-OG 3.34Å; F29-S318 PolarHBondContact O-OG 3.2Å; F29-S318 VanDerWaalsContact O-OG 3.08Å; F29-V320 HydrophobicContact CD1-CB 4.43Å; F29-V320 HydrophobicContact CD1-CG1 3.81Å; F29-V320 HydrophobicContact CD2-CG1 3.88Å; F29-V320 HydrophobicContact CE1-CB 3.65Å; F29-V320 HydrophobicContact CE1-CG1 3.52Å; F29-V320 HydrophobicContact CE2-CB 3.92Å; F29-V320 HydrophobicContact CE2-CG1 3.54Å; F29-V320 HydrophobicContact CG-CG1 4.01Å; F29-V320 HydrophobicContact CZ-CB 3.36Å; F29-V320 HydrophobicContact CZ-CG1 3.39Å; F29-V320 HydrophobicContact CZ-CG2 4.32Å; F29-F357 AromaticContact CD2-CE2 3.76Å; F29-F357 HydrophobicContact CD2-CE2 3.76Å; F29-F357 AromaticContact CD2-CZ 3.59Å; F29-F357 HydrophobicContact CD2-CZ 3.59Å; F29-F357 AromaticContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CZ 4.16Å; F29-F357 HydrophobicContact CG-CZ 4.48Å; F29-F369 HydrophobicContact CE1-CD1 4.04Å; F29-F369 HydrophobicContact CE1-CE1 4.41Å; F29-F369 HydrophobicContact CE2-CB 3.57Å; F29-F369 AromaticContact CE2-CD1 3.76Å; F29-F369 HydrophobicContact CE2-CD1 3.76Å; F29-F369 AromaticContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CZ-CB 3.94Å; F29-F369 AromaticContact CZ-CD1 3.21Å; F29-F369 HydrophobicContact CZ-CD1 3.21Å; F29-F369 AromaticContact CZ-CE1 3.85Å; F29-F369 HydrophobicContact CZ-CE1 3.85Å; F29-F369 AromaticContact CZ-CG 3.76Å; F29-F369 HydrophobicContact CZ-CG 3.76Å; F29-C370 WeakPolarHBondContact CA-O 3.26Å
30C96.3Very high92.5Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-152.4170.1174.168.60000111L19 P32 I35 Y278 S318 F369 C370L19-C30 HydrophobicContact CD1-CB 4.26Å; C30-P32 WeakPolarHBondContact O-CD 3.47Å; C30-I35 HydrophobicContact CB-CD1 4.25Å; C30-Y278 HydrophobicContact CB-CE2 4.07Å; C30-S318 WeakPolarHBondContact CA-OG 3.4Å; C30-F369 VanDerWaalsContact O-CA 3.32Å; C30-F369 WeakPolarHBondContact O-CA 3.31Å; C30-C370 PolarHBondContact N-O 3.22Å; C30-C370 PolarHBondContact O-N 3.21Å; C30-C370 VanDerWaalsContact O-N 3.11Å; C30-C370 VanDerWaalsContact SG-SG 3.69Å
31S96.7Very high92.7Very high3 Ų330.9 Ų30.92%0.02117%0.168CC..  trans-112.195.2169.3-178.70000111.5V33 S34 I35 H316 L368S31-V33 VanDerWaalsContact C-N 3.33Å; S31-V33 PolarHBondContact O-N 2.98Å; S31-S34 PolarHBondContact O-N 3.39Å; S31-S34 VanDerWaalsContact O-N 3.16Å; S31-S34 WeakPolarHBondContact OG-CB 3.4Å; S31-S34 PolarHBondContact OG-N 2.96Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.35Å; S31-H316 PolarHBondContact N-NE2 2.88Å; S31-L368 VanDerWaalsContact CA-O 3.26Å; S31-L368 WeakPolarHBondContact CA-O 3.35Å; S31-L368 VanDerWaalsContact CB-O 3.28Å; S31-L368 WeakPolarHBondContact CB-O 3.36Å; S31-L368 PolarHBondContact OG-O 2.86Å
32P96.1Very high93.1Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-58.9-40.6178.9-27.135.5000113.5F11 A12 C30 S34 I35 S36 C370F11-P32 HydrophobicContact CD1-CB 4.17Å; F11-P32 HydrophobicContact CE1-CB 4.42Å; A12-P32 HydrophobicContact CB-CB 3.42Å; A12-P32 VanDerWaalsContact CB-CB 3.42Å; A12-P32 HydrophobicContact CB-CG 3.45Å; A12-P32 VanDerWaalsContact CB-CG 3.45Å; C30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-S34 VanDerWaalsContact C-N 3.34Å; P32-S34 PolarHBondContact O-N 2.64Å; P32-I35 PolarHBondContact O-N 3.41Å; P32-S36 VanDerWaalsContact O-CB 3.28Å; P32-S36 WeakPolarHBondContact O-CB 3.29Å; P32-S36 PolarHBondContact O-N 3.28Å; P32-S36 PolarHBondContact O-OG 2.78Å; P32-C370 WeakPolarHBondContact CG-SG 3.37Å
33V94.2Very high94.1Very high7 Ų718 Ų184%0.04210%0.103CC..Hα-helixtrans-63-42176.71620000111.3S31 S37 L73 I367 L368S31-V33 VanDerWaalsContact C-N 3.33Å; S31-V33 PolarHBondContact O-N 2.98Å; V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 3.12Å; V33-S37 PolarHBondContact O-OG 3.43Å; V33-L73 HydrophobicContact CG1-CD2 3.77Å; V33-L73 HydrophobicContact CG1-CG 4.47Å; V33-L73 HydrophobicContact CG2-CD2 4.37Å; V33-I367 WeakPolarHBondContact CG2-O 3.32Å; V33-L368 HydrophobicContact CB-CD2 4.44Å; V33-L368 HydrophobicContact CG1-CD2 4.3Å; V33-L368 HydrophobicContact CG2-CD2 4.46Å
34S95.1Very high94.7Very high5 Ų516.1 Ų16.14%0.0359%0.093CC..Hα-helixtrans-65.2-45.7178-166.60000111.1S31 P32 S37 A38 N163S31-S34 PolarHBondContact O-N 3.39Å; S31-S34 VanDerWaalsContact O-N 3.16Å; S31-S34 WeakPolarHBondContact OG-CB 3.4Å; S31-S34 PolarHBondContact OG-N 2.96Å; P32-S34 VanDerWaalsContact C-N 3.34Å; P32-S34 PolarHBondContact O-N 2.64Å; S34-S37 PolarHBondContact O-N 3Å; S34-S37 PolarHBondContact O-OG 2.96Å; S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 2.91Å; S34-N163 WeakPolarHBondContact CB-OD1 3.08Å; S34-N163 PolarHBondContact O-ND2 2.93Å; S34-N163 PolarHBondContact OG-ND2 2.75Å; S34-N163 PolarHBondContact OG-OD1 3.42Å
35I96.8Very high95.3Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-60.2-49.5175.2-67.7165000111.2F11 L15 C30 S31 P32 S37 A38 L39 M280 F314 H316F11-I35 HydrophobicContact CE1-CB 4.16Å; F11-I35 HydrophobicContact CE1-CG2 3.74Å; F11-I35 HydrophobicContact CZ-CG2 3.64Å; L15-I35 HydrophobicContact CD2-CD1 3.49Å; L15-I35 VanDerWaalsContact CD2-CD1 3.49Å; C30-I35 HydrophobicContact CB-CD1 4.25Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.35Å; P32-I35 PolarHBondContact O-N 3.41Å; I35-S37 VanDerWaalsContact C-N 3.32Å; I35-S37 PolarHBondContact O-N 3Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 2.82Å; I35-A38 VanDerWaalsContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 HydrophobicContact CG2-CG 4.49Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 3.48Å; I35-M280 HydrophobicContact CD1-CE 3.99Å; I35-M280 HydrophobicContact CD1-SD 4.31Å; I35-M280 HydrophobicContact CG2-CE 4.01Å; I35-F314 HydrophobicContact CB-CZ 4.43Å; I35-F314 HydrophobicContact CG1-CZ 4.34Å; I35-F314 HydrophobicContact CG2-CE1 3.98Å; I35-F314 HydrophobicContact CG2-CZ 4Å; I35-H316 HydrophobicContact CD1-CB 4.36Å; I35-H316 HydrophobicContact CG1-CB 4.19Å
36S96.2Very high95.9Very high1 Ų19.6 Ų9.61%0.0075%0.05CC..Hα-helixtrans-58.7-44.2177.9-69.90000111.6F11 P32 A38 L39 A40F11-S36 WeakPolarHBondContact CD1-OG 3.29Å; F11-S36 WeakPolarHBondContact CE1-OG 3.37Å; P32-S36 VanDerWaalsContact O-CB 3.28Å; P32-S36 WeakPolarHBondContact O-CB 3.29Å; P32-S36 PolarHBondContact O-N 3.28Å; P32-S36 PolarHBondContact O-OG 2.78Å; S36-A38 VanDerWaalsContact C-N 3.32Å; S36-A38 PolarHBondContact O-N 3.28Å; S36-L39 PolarHBondContact O-N 3.24Å; S36-A40 WeakPolarHBondContact O-CB 3.5Å; S36-A40 PolarHBondContact O-N 2.89Å
37S95.5Very high96.1Very high1 Ų19.8 Ų9.81%0.0075%0.05CC..Hα-helixtrans-63.6-4017777.90000111.5V33 S34 I35 A40 M41 Y112V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 3.12Å; V33-S37 PolarHBondContact O-OG 3.43Å; S34-S37 PolarHBondContact O-N 3Å; S34-S37 PolarHBondContact O-OG 2.96Å; I35-S37 VanDerWaalsContact C-N 3.32Å; I35-S37 PolarHBondContact O-N 3Å; S37-A40 PolarHBondContact O-N 2.88Å; S37-M41 WeakPolarHBondContact O-CG 3.15Å; S37-M41 PolarHBondContact O-N 2.81Å; S37-Y112 WeakPolarHBondContact O-CE1 3.49Å
38A96.8Very high96.2Very high0 Ų011 Ų110%07%0.067CC..Hα-helixtrans-66.6-43.2179.700000112S34 I35 S36 M41 V42 N90 L161 N163 F314S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 2.91Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 2.82Å; I35-A38 VanDerWaalsContact O-N 3.14Å; S36-A38 VanDerWaalsContact C-N 3.32Å; S36-A38 PolarHBondContact O-N 3.28Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 2.67Å; A38-V42 PolarHBondContact O-N 2.8Å; A38-N90 WeakPolarHBondContact CB-OD1 3.4Å; A38-L161 HydrophobicContact CB-CD1 4.08Å; A38-L161 HydrophobicContact CB-CD2 3.89Å; A38-L161 HydrophobicContact CB-CG 4.24Å; A38-N163 HydrophobicContact CB-CB 4.16Å; A38-F314 HydrophobicContact CB-CE2 4.46Å; A38-F314 HydrophobicContact CB-CZ 4.3Å
39L97.2Very high96.2Very high0 Ų015.2 Ų15.20%09%0.089CC..Hα-helixtrans-67.8-36.1173.8-71.1169.4000111.8F11 I35 S36 M41 V42 L43 M54 L58 L161 L284 I289 F314F11-L39 HydrophobicContact CZ-CD1 4.44Å; I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 HydrophobicContact CG2-CG 4.49Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 3.48Å; S36-L39 PolarHBondContact O-N 3.24Å; L39-M41 PolarHBondContact O-N 2.93Å; L39-V42 WeakPolarHBondContact O-CA 3.24Å; L39-V42 WeakPolarHBondContact O-CB 3.46Å; L39-V42 PolarHBondContact O-N 3.3Å; L39-L43 PolarHBondContact O-N 3.06Å; L39-M54 HydrophobicContact CB-CE 4.29Å; L39-M54 HydrophobicContact CD2-CE 4.35Å; L39-M54 WeakPolarHBondContact O-CE 3.42Å; L39-L58 HydrophobicContact CB-CD1 3.83Å; L39-L58 HydrophobicContact CB-CD2 4.28Å; L39-L58 HydrophobicContact CD1-CD2 3.84Å; L39-L161 HydrophobicContact CD2-CD2 4.36Å; L39-L284 HydrophobicContact CD1-CD1 4.01Å; L39-L284 HydrophobicContact CD1-CD2 3.67Å; L39-L284 HydrophobicContact CD2-CD1 3.79Å; L39-L284 HydrophobicContact CG-CD1 4.46Å; L39-I289 HydrophobicContact CD1-CD1 4.22Å; L39-F314 HydrophobicContact CD1-CE1 4.12Å; L39-F314 HydrophobicContact CD2-CD1 3.87Å; L39-F314 HydrophobicContact CD2-CE1 3.78Å; L39-F314 HydrophobicContact CG-CD1 4.39Å; L39-F314 HydrophobicContact CG-CE1 3.78Å
40A96Very high96.3Very high0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-66.9-25.817600000112.6S36 S37 L43 L44 F70 Y112S36-A40 WeakPolarHBondContact O-CB 3.5Å; S36-A40 PolarHBondContact O-N 2.89Å; S37-A40 PolarHBondContact O-N 2.88Å; A40-L43 WeakPolarHBondContact O-CB 3.36Å; A40-L43 PolarHBondContact O-N 3.46Å; A40-L44 PolarHBondContact O-N 2.84Å; A40-L44 VanDerWaalsContact O-N 3.12Å; A40-F70 HydrophobicContact CB-CD2 3.76Å; A40-F70 HydrophobicContact CB-CE2 3.4Å; A40-F70 VanDerWaalsContact CB-CE2 3.4Å; A40-F70 HydrophobicContact CB-CZ 3.95Å; A40-Y112 HydrophobicContact CB-CE1 3.9Å; A40-Y112 WeakPolarHBondContact CB-OH 3.41Å; A40-Y112 PolarHBondContact O-OH 2.83Å
41M95.8Very high96.4Very high1 Ų116.2 Ų16.21%0.00510%0.098CC..Hα-helixtrans-65.4-39.3166.9-63.4-173.2-43.100112.4S37 A38 L39 L43 L44 N90 L92 F104 Y112 A114 L161S37-M41 WeakPolarHBondContact O-CG 3.15Å; S37-M41 PolarHBondContact O-N 2.81Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 2.67Å; L39-M41 PolarHBondContact O-N 2.93Å; M41-L43 VanDerWaalsContact C-N 3.3Å; M41-L44 WeakPolarHBondContact O-CB 3.46Å; M41-L44 PolarHBondContact O-N 3.24Å; M41-N90 VanDerWaalsContact CE-CG 3.5Å; M41-N90 WeakPolarHBondContact CE-ND2 3.43Å; M41-N90 WeakPolarHBondContact CE-OD1 3.28Å; M41-N90 PolarHBondContact SD-ND2 3.35Å; M41-N90 VanDerWaalsContact SD-ND2 3.39Å; M41-L92 HydrophobicContact CE-CG 4.37Å; M41-F104 WeakPolarHBondContact O-CE2 3.49Å; M41-Y112 HydrophobicContact CB-CD2 4.39Å; M41-Y112 HydrophobicContact CG-CD1 3.61Å; M41-Y112 HydrophobicContact CG-CD2 3.53Å; M41-Y112 HydrophobicContact CG-CE1 4.13Å; M41-Y112 HydrophobicContact CG-CE2 4.07Å; M41-Y112 HydrophobicContact CG-CG 3.27Å; M41-Y112 VanDerWaalsContact SD-CB 3.6Å; M41-Y112 HydrophobicContact SD-CD1 4.49Å; M41-Y112 HydrophobicContact SD-CG 4Å; M41-A114 HydrophobicContact CE-CB 4.29Å; M41-A114 HydrophobicContact SD-CB 3.31Å; M41-A114 WeakPolarHBondContact SD-CB 3.33Å; M41-L161 HydrophobicContact CE-CD1 3.63Å
42V97Very high96.4Very high0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-69.3-35.6175175.50000110A38 L39 L44 G45 A46 M54 L92 L161 L300 M303A38-V42 PolarHBondContact O-N 2.8Å; L39-V42 WeakPolarHBondContact O-CA 3.24Å; L39-V42 WeakPolarHBondContact O-CB 3.46Å; L39-V42 PolarHBondContact O-N 3.3Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.31Å; V42-G45 CarbonylContact O-C 3.53Å; V42-G45 WeakPolarHBondContact O-CA 3.49Å; V42-G45 PolarHBondContact O-N 3.01Å; V42-A46 PolarHBondContact O-N 2.88Å; V42-A46 VanDerWaalsContact O-N 3.16Å; V42-M54 HydrophobicContact CB-CE 3.68Å; V42-M54 HydrophobicContact CG1-CE 3.69Å; V42-M54 HydrophobicContact CG1-SD 4.14Å; V42-L92 HydrophobicContact CG2-CD2 3.89Å; V42-L161 HydrophobicContact CG2-CD2 3.94Å; V42-L300 HydrophobicContact CG1-CD2 4.04Å; V42-M303 HydrophobicContact CG1-CE 4.31Å
43L96.8Very high96.5Very high15 Ų1520.4 Ų20.48%0.07912%0.121CC..Hα-helixtrans-61.5-34.7176.1-178.758.3000112.8L39 A40 M41 G45 A46 A51 M54 L60 I66L39-L43 PolarHBondContact O-N 3.06Å; A40-L43 WeakPolarHBondContact O-CB 3.36Å; A40-L43 PolarHBondContact O-N 3.46Å; M41-L43 VanDerWaalsContact C-N 3.3Å; L43-G45 PolarHBondContact O-N 2.93Å; L43-G45 VanDerWaalsContact O-N 3.12Å; L43-A46 HydrophobicContact CD1-CB 4.4Å; L43-A46 PolarHBondContact O-N 3.26Å; L43-A51 HydrophobicContact CD1-CB 3.7Å; L43-M54 HydrophobicContact CB-CE 4.13Å; L43-M54 HydrophobicContact CD1-CB 4.14Å; L43-L60 HydrophobicContact CD2-CD1 4.11Å; L43-I66 HydrophobicContact CD2-CD1 3.62Å
44L95.8Very high96.7Very high32 Ų3220.1 Ų20.117%0.16812%0.12CC..THydrogen-bonded Turntrans-52.9-32.4170.5-82.3173.2000112.3A40 M41 V42 H67 F104 F111 Y112A40-L44 PolarHBondContact O-N 2.84Å; A40-L44 VanDerWaalsContact O-N 3.12Å; M41-L44 WeakPolarHBondContact O-CB 3.46Å; M41-L44 PolarHBondContact O-N 3.24Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.31Å; L44-H67 HydrophobicContact CD2-CB 4.45Å; L44-H67 VanDerWaalsContact CD2-CE1 3.45Å; L44-H67 WeakPolarHBondContact CD2-CE1 3.41Å; L44-H67 WeakPolarHBondContact CD2-NE2 3.41Å; L44-H67 VanDerWaalsContact CG-CE1 3.49Å; L44-H67 WeakPolarHBondContact CG-CE1 3.42Å; L44-F104 HydrophobicContact CB-CD2 4.19Å; L44-F104 HydrophobicContact CB-CE2 3.88Å; L44-F111 HydrophobicContact CD1-CD2 4.48Å; L44-F111 HydrophobicContact CD2-CD2 4.29Å; L44-Y112 HydrophobicContact CD1-CD2 3.78Å; L44-Y112 HydrophobicContact CD1-CE2 3.45Å; L44-Y112 VanDerWaalsContact CD1-CE2 3.45Å; L44-Y112 HydrophobicContact CG-CE2 3.96Å
45G96.1Very high96.8Very high0 Ų020.2 Ų20.20%012%0.121CC..THydrogen-bonded Turntrans-96.6-6.2-177.600000114.1V42 L43 L300 A302 M303V42-G45 CarbonylContact O-C 3.53Å; V42-G45 WeakPolarHBondContact O-CA 3.49Å; V42-G45 PolarHBondContact O-N 3.01Å; L43-G45 PolarHBondContact O-N 2.93Å; L43-G45 VanDerWaalsContact O-N 3.12Å; G45-L300 CarbonylContact O-C 3.59Å; G45-L300 WeakPolarHBondContact O-CA 3.38Å; G45-A302 CarbonylContact O-C 3.5Å; G45-A302 WeakPolarHBondContact O-CA 3.18Å; G45-A302 WeakPolarHBondContact O-CB 3.41Å; G45-A302 PolarHBondContact O-N 2.95Å; G45-A302 VanDerWaalsContact O-N 3.11Å; G45-M303 PolarHBondContact O-N 3.49Å
46A96.9Very high96.8Very high10 Ų1026.5 Ų26.58%0.08315%0.15CC..  trans-97.6150.1-174.100000112.4V42 L43 T50 A51 M54 D299 L300V42-A46 PolarHBondContact O-N 2.88Å; V42-A46 VanDerWaalsContact O-N 3.16Å; L43-A46 HydrophobicContact CD1-CB 4.4Å; L43-A46 PolarHBondContact O-N 3.26Å; A46-T50 HydrophobicContact CB-CG2 4Å; A46-A51 HydrophobicContact CB-CB 4.15Å; A46-M54 HydrophobicContact CB-SD 4.1Å; A46-D299 CarbonylContact C-O 3.54Å; A46-D299 VanDerWaalsContact CA-O 3.25Å; A46-D299 WeakPolarHBondContact CA-O 3.37Å; A46-L300 HydrophobicContact CB-CD2 3.91Å
47K96.2Very high96.8Very high105 Ų10526.5 Ų26.546%0.45715%0.151SC..  trans-134.9179.8171.7-65.2-169.4-166.9169.80111.1T50 A51 D299 S301 A302K47-T50 WeakPolarHBondContact O-CB 3.47Å; K47-T50 PolarHBondContact O-N 3.37Å; K47-A51 PolarHBondContact O-N 2.71Å; K47-A51 VanDerWaalsContact O-N 3.08Å; K47-D299 VanDerWaalsContact CB-OD2 3.31Å; K47-D299 WeakPolarHBondContact CB-OD2 3.48Å; K47-D299 PolarHBondContact N-O 3.48Å; K47-S301 WeakPolarHBondContact CD-OG 3.41Å; K47-A302 HydrophobicContact CG-CB 4.25Å
48G96Very high96.8Very high47 Ų4726.5 Ų26.549%0.48515%0.15SC..Hα-helixtrans53.3-140.9174.100000113.3T50 A51 T52G48-T50 VanDerWaalsContact C-N 3.26Å; G48-T50 PolarHBondContact O-N 3.15Å; G48-A51 PolarHBondContact O-N 2.86Å; G48-T52 PolarHBondContact O-N 3.27Å; G48-T52 PolarHBondContact O-OG1 2.89Å
49N97.3Very high96.7Very high92 Ų9228.5 Ų28.549%0.49216%0.164SC..Hα-helixtrans-65.1-29.7-177.8-164.453000112.9T52 Q53 D291N49-T52 PolarHBondContact O-N 3.01Å; N49-Q53 PolarHBondContact ND2-NE2 2.79Å; N49-Q53 VanDerWaalsContact ND2-NE2 3.17Å; N49-Q53 WeakPolarHBondContact O-CB 3.37Å; N49-Q53 WeakPolarHBondContact O-CG 3.23Å; N49-Q53 PolarHBondContact O-N 3.46Å; N49-D291 PolarHBondContact ND2-OD2 3.29Å
50T97.7Very high96.6Very high1 Ų129.3 Ų29.31%0.00617%0.169CC..Hα-helixtrans-61-48.4175.4-58.50000110.6A46 K47 G48 T52 Q53 M54 D291 A292 D299 L300A46-T50 HydrophobicContact CB-CG2 4Å; K47-T50 WeakPolarHBondContact O-CB 3.47Å; K47-T50 PolarHBondContact O-N 3.37Å; G48-T50 VanDerWaalsContact C-N 3.26Å; G48-T50 PolarHBondContact O-N 3.15Å; T50-T52 PolarHBondContact O-N 3.07Å; T50-Q53 PolarHBondContact O-N 2.8Å; T50-M54 HydrophobicContact CG2-SD 4.23Å; T50-M54 VanDerWaalsContact O-CG 3.26Å; T50-M54 WeakPolarHBondContact O-CG 3.25Å; T50-M54 PolarHBondContact O-N 3.22Å; T50-M54 VanDerWaalsContact O-N 3.14Å; T50-D291 WeakPolarHBondContact OG1-CB 3.2Å; T50-A292 HydrophobicContact CG2-CB 3.88Å; T50-D299 PolarHBondContact OG1-N 3.43Å; T50-L300 HydrophobicContact CG2-CD2 4.4Å
51A97.3Very high96.3Very high20 Ų2032.3 Ų32.317%0.16519%0.185CC..Hα-helixtrans-62.7-41.7176.300000112.3L43 A46 K47 G48 M54 A55L43-A51 HydrophobicContact CD1-CB 3.7Å; A46-A51 HydrophobicContact CB-CB 4.15Å; K47-A51 PolarHBondContact O-N 2.71Å; K47-A51 VanDerWaalsContact O-N 3.08Å; G48-A51 PolarHBondContact O-N 2.86Å; A51-M54 PolarHBondContact O-N 3.46Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.41Å
52T97.6Very high95.7Very high65 Ų6537 Ų3740%0.39921%0.213SC..Hα-helixtrans-60.9-48.3177.5-57.40000112.2G48 N49 T50 M54 A55 Q56G48-T52 PolarHBondContact O-N 3.27Å; G48-T52 PolarHBondContact O-OG1 2.89Å; N49-T52 PolarHBondContact O-N 3.01Å; T50-T52 PolarHBondContact O-N 3.07Å; T52-M54 VanDerWaalsContact C-N 3.32Å; T52-M54 PolarHBondContact O-N 3.16Å; T52-A55 PolarHBondContact O-N 2.93Å; T52-Q56 HydrophobicContact CG2-CG 4.4Å; T52-Q56 WeakPolarHBondContact O-CB 3.42Å; T52-Q56 VanDerWaalsContact O-CG 3.27Å; T52-Q56 WeakPolarHBondContact O-CG 3.43Å; T52-Q56 PolarHBondContact O-N 3.32Å
53Q98.2Very high95Very high26 Ų2645.4 Ų45.412%0.12125%0.253CS..Hα-helixtrans-57.8-45.3177.3-76.1176-2.600111.6N49 T50 A57 G288 D291N49-Q53 PolarHBondContact ND2-NE2 2.79Å; N49-Q53 VanDerWaalsContact ND2-NE2 3.17Å; N49-Q53 WeakPolarHBondContact O-CB 3.37Å; N49-Q53 WeakPolarHBondContact O-CG 3.23Å; N49-Q53 PolarHBondContact O-N 3.46Å; T50-Q53 PolarHBondContact O-N 2.8Å; Q53-A57 VanDerWaalsContact O-CB 3.3Å; Q53-A57 WeakPolarHBondContact O-CB 3.24Å; Q53-A57 PolarHBondContact O-N 3.07Å; Q53-G288 WeakPolarHBondContact CB-O 3.34Å; Q53-G288 WeakPolarHBondContact CG-O 3.42Å; Q53-D291 PolarHBondContact NE2-OD1 3.1Å; Q53-D291 PolarHBondContact NE2-OD2 3.47Å
54M98Very high94.4Very high1 Ų148.7 Ų48.71%0.00527%0.268CS..Hα-helixtrans-65.4-46.9-179.9-69.1179.277.800112.3L39 V42 L43 A46 T50 A51 T52 Q56 A57 L58 I289L39-M54 HydrophobicContact CB-CE 4.29Å; L39-M54 HydrophobicContact CD2-CE 4.35Å; L39-M54 WeakPolarHBondContact O-CE 3.42Å; V42-M54 HydrophobicContact CB-CE 3.68Å; V42-M54 HydrophobicContact CG1-CE 3.69Å; V42-M54 HydrophobicContact CG1-SD 4.14Å; L43-M54 HydrophobicContact CB-CE 4.13Å; L43-M54 HydrophobicContact CD1-CB 4.14Å; A46-M54 HydrophobicContact CB-SD 4.1Å; T50-M54 HydrophobicContact CG2-SD 4.23Å; T50-M54 VanDerWaalsContact O-CG 3.26Å; T50-M54 WeakPolarHBondContact O-CG 3.25Å; T50-M54 PolarHBondContact O-N 3.22Å; T50-M54 VanDerWaalsContact O-N 3.14Å; A51-M54 PolarHBondContact O-N 3.46Å; T52-M54 VanDerWaalsContact C-N 3.32Å; T52-M54 PolarHBondContact O-N 3.16Å; M54-Q56 VanDerWaalsContact C-N 3.35Å; M54-Q56 PolarHBondContact O-N 3.25Å; M54-A57 PolarHBondContact O-N 3.29Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 VanDerWaalsContact O-CG 3.28Å; M54-L58 WeakPolarHBondContact O-CG 3.44Å; M54-L58 PolarHBondContact O-N 2.98Å; M54-I289 HydrophobicContact CG-CD1 4.29Å; M54-I289 HydrophobicContact CG-CG2 3.86Å
55A96.7Very high94.1Very high7 Ų750.6 Ų50.66%0.05828%0.278CS..Hα-helixtrans-61.5-43178.100000111.8A51 T52 L58 S59 L60 T62A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.41Å; T52-A55 PolarHBondContact O-N 2.93Å; A55-L58 CarbonylContact O-C 3.51Å; A55-L58 PolarHBondContact O-N 3.38Å; A55-S59 PolarHBondContact O-N 3.03Å; A55-L60 PolarHBondContact O-N 3.21Å; A55-T62 HydrophobicContact CB-CG2 3.59Å
56Q96.6Very high93.9Very high132 Ų13251.3 Ų51.362%0.61728%0.282SS*.Hα-helixtrans-65.5-44.5177.6-73.4176-11.900112.7T52 M54 L58 S59T52-Q56 HydrophobicContact CG2-CG 4.4Å; T52-Q56 WeakPolarHBondContact O-CB 3.42Å; T52-Q56 VanDerWaalsContact O-CG 3.27Å; T52-Q56 WeakPolarHBondContact O-CG 3.43Å; T52-Q56 PolarHBondContact O-N 3.32Å; M54-Q56 VanDerWaalsContact C-N 3.35Å; M54-Q56 PolarHBondContact O-N 3.25Å; Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.87Å; Q56-S59 PolarHBondContact O-N 3.22Å; Q56-S59 VanDerWaalsContact O-N 3.13Å
57A96.8Very high93.8Very high2 Ų252.5 Ų52.52%0.01729%0.285CS..Hα-helixtrans-61.3-42.9177.700000111.5F11 Q53 M54 S59 L287 I289F11-A57 WeakPolarHBondContact CD2-O 3.28Å; Q53-A57 VanDerWaalsContact O-CB 3.3Å; Q53-A57 WeakPolarHBondContact O-CB 3.24Å; Q53-A57 PolarHBondContact O-N 3.07Å; M54-A57 PolarHBondContact O-N 3.29Å; A57-S59 PolarHBondContact O-N 2.89Å; A57-L287 HydrophobicContact CB-CB 4.29Å; A57-L287 WeakPolarHBondContact CB-O 3.38Å; A57-I289 HydrophobicContact CB-CD1 3.71Å; A57-I289 HydrophobicContact CB-CG1 3.42Å; A57-I289 VanDerWaalsContact CB-CG1 3.42Å
58L96.3Very high93.8Very high1 Ų154.6 Ų54.61%0.00529%0.29CS..THydrogen-bonded Turntrans-78.9-2.7177.4-63.8174.8000113.9F11 L39 M54 A55 Q56 L60F11-L58 HydrophobicContact CD1-CD2 4.38Å; F11-L58 HydrophobicContact CD2-CD2 3.85Å; F11-L58 HydrophobicContact CE1-CD2 4.3Å; F11-L58 HydrophobicContact CE2-CD2 3.76Å; F11-L58 HydrophobicContact CG-CD2 4.16Å; F11-L58 HydrophobicContact CZ-CD2 4Å; L39-L58 HydrophobicContact CB-CD1 3.83Å; L39-L58 HydrophobicContact CB-CD2 4.28Å; L39-L58 HydrophobicContact CD1-CD2 3.84Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 VanDerWaalsContact O-CG 3.28Å; M54-L58 WeakPolarHBondContact O-CG 3.44Å; M54-L58 PolarHBondContact O-N 2.98Å; A55-L58 CarbonylContact O-C 3.51Å; A55-L58 PolarHBondContact O-N 3.38Å; Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.87Å; L58-L60 HydrophobicContact CB-CD1 3.69Å; L58-L60 HydrophobicContact CB-CG 3.62Å; L58-L60 HydrophobicContact CD1-CD1 3.65Å; L58-L60 HydrophobicContact CG-CD1 4.34Å; L58-L60 PolarHBondContact O-N 3.11Å
59S94.9Very high93.7Very high42 Ų4253.2 Ų53.229%0.29427%0.274SS..THydrogen-bonded Turntrans55.432.8-175.7-480000113.3A7 A55 Q56 A57A7-S59 WeakPolarHBondContact CB-O 3.2Å; A55-S59 PolarHBondContact O-N 3.03Å; Q56-S59 PolarHBondContact O-N 3.22Å; Q56-S59 VanDerWaalsContact O-N 3.13Å; A57-S59 PolarHBondContact O-N 2.89Å
60L94.3Very high93.6Very high17 Ų1748.9 Ų48.99%0.08925%0.251CS..  trans-85.4135.1-178-65.7173.4000111L4 A7 L43 A55 L58 I66 F70L4-L60 HydrophobicContact CD1-CD2 3.99Å; A7-L60 HydrophobicContact CB-CD2 4.04Å; L43-L60 HydrophobicContact CD2-CD1 4.11Å; A55-L60 PolarHBondContact O-N 3.21Å; L58-L60 HydrophobicContact CB-CD1 3.69Å; L58-L60 HydrophobicContact CB-CG 3.62Å; L58-L60 HydrophobicContact CD1-CD1 3.65Å; L58-L60 HydrophobicContact CG-CD1 4.34Å; L58-L60 PolarHBondContact O-N 3.11Å; L60-I66 HydrophobicContact CB-CG2 4.34Å; L60-I66 HydrophobicContact CD1-CD1 3.97Å; L60-I66 HydrophobicContact CD2-CG2 4.44Å; L60-F70 HydrophobicContact CD1-CE2 4.21Å; L60-F70 HydrophobicContact CD2-CE2 4.06Å; L60-F70 HydrophobicContact CD2-CZ 4.28Å
61N89.4Confident93.4Very high63 Ų6351.3 Ų51.334%0.33726%0.262SS..  trans-85109.6168.1-175.21000109.8E63 E64 I66N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 WeakPolarHBondContact OD1-CB 3.21Å; N61-E63 PolarHBondContact OD1-N 3.14Å; N61-E64 PolarHBondContact O-N 3.24Å; N61-I66 WeakPolarHBondContact O-CG2 3.46Å
62T82.9Confident93.3Very high98 Ų9853 Ų5360%0.60127%0.273SS*.THydrogen-bonded Turntrans-75.2-7-179.2540000114.2A55 E64A55-T62 HydrophobicContact CB-CG2 3.59Å; T62-E64 VanDerWaalsContact C-N 3.26Å
63E82.9Confident93.1Very high178 Ų17850 Ų5083%0.83226%0.255SS*.THydrogen-bonded Turntrans-73.8-20.4171.5-61.4-178.7171.100112.2N61N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 WeakPolarHBondContact OD1-CB 3.21Å; N61-E63 PolarHBondContact OD1-N 3.14Å
64E84.1Confident92.9Very high84 Ų8449.5 Ų49.539%0.39325%0.253SS..SBendtrans-93.6159.2175.4-63.9-173.3-176.600112T3 N61 T62 I66T3-E64 WeakPolarHBondContact CB-OE2 3.25Å; T3-E64 WeakPolarHBondContact CG2-OE1 3.35Å; T3-E64 WeakPolarHBondContact CG2-OE2 3.4Å; T3-E64 PolarHBondContact OG1-OE1 2.87Å; T3-E64 PolarHBondContact OG1-OE2 3.2Å; N61-E64 PolarHBondContact O-N 3.24Å; T62-E64 VanDerWaalsContact C-N 3.26Å; E64-I66 PolarHBondContact O-N 2.62Å
65D90Very high92.6Very high72 Ų7253 Ų5339%0.38527%0.274SS..  trans-75.175.7170.2-170.5-13.7000110.5H67 R68 A69D65-H67 PolarHBondContact O-N 3.01Å; D65-R68 HydrophobicContact CB-CB 4.2Å; D65-R68 PolarHBondContact O-N 2.96Å; D65-R68 WeakPolarHBondContact OD1-CB 3.47Å; D65-R68 PolarHBondContact OD1-N 3.48Å; D65-R68 WeakPolarHBondContact OD2-CB 3.44Å; D65-R68 IonicContact OD2-CZ 2.96Å; D65-R68 VanDerWaalsContact OD2-CZ 3.29Å; D65-R68 IonicContact OD2-NE 3.91Å; D65-R68 PolarHBondContact OD2-NE 2.87Å; D65-R68 IonicContact OD2-NH2 2.95Å; D65-R68 PolarHBondContact OD2-NH2 2.97Å; D65-R68 VanDerWaalsContact OD2-NH2 3.11Å; D65-A69 PolarHBondContact O-N 3.03Å; D65-A69 VanDerWaalsContact O-N 3.12Å
66I92.7Very high92.4Very high15 Ų1554.3 Ų54.38%0.07728%0.279CS..Hα-helixtrans-58.6-33.8-179.256.3165.9000112.3L43 L60 N61 E64 A69 F70L43-I66 HydrophobicContact CD2-CD1 3.62Å; L60-I66 HydrophobicContact CB-CG2 4.34Å; L60-I66 HydrophobicContact CD1-CD1 3.97Å; L60-I66 HydrophobicContact CD2-CG2 4.44Å; N61-I66 WeakPolarHBondContact O-CG2 3.46Å; E64-I66 PolarHBondContact O-N 2.62Å; I66-A69 WeakPolarHBondContact O-CB 3.35Å; I66-A69 PolarHBondContact O-N 3.39Å; I66-F70 WeakPolarHBondContact O-CD2 3.41Å; I66-F70 PolarHBondContact O-N 3.1Å
67H94.5Very high92.2Very high35 Ų3548.4 Ų48.416%0.16225%0.252CS..Hα-helixtrans-71.1-42.6-176.7-60.3-62000110.8L44 D65 A69 F70 Q71 F111 Y112L44-H67 HydrophobicContact CD2-CB 4.45Å; L44-H67 VanDerWaalsContact CD2-CE1 3.45Å; L44-H67 WeakPolarHBondContact CD2-CE1 3.41Å; L44-H67 WeakPolarHBondContact CD2-NE2 3.41Å; L44-H67 VanDerWaalsContact CG-CE1 3.49Å; L44-H67 WeakPolarHBondContact CG-CE1 3.42Å; D65-H67 PolarHBondContact O-N 3.01Å; H67-A69 VanDerWaalsContact C-N 3.3Å; H67-A69 PolarHBondContact O-N 2.84Å; H67-F70 PolarHBondContact O-N 3.17Å; H67-Q71 PolarHBondContact O-N 3.1Å; H67-F111 HydrophobicContact CB-CB 4.17Å; H67-F111 HydrophobicContact CB-CD1 3.99Å; H67-F111 HydrophobicContact CB-CD2 3.96Å; H67-F111 HydrophobicContact CB-CE1 4.37Å; H67-F111 HydrophobicContact CB-CE2 4.34Å; H67-F111 HydrophobicContact CB-CG 3.78Å; H67-Y112 AromaticContact ND1-CE2 3.76Å; H67-Y112 AromaticContact ND1-CZ 3.67Å; H67-Y112 PolarHBondContact ND1-OH 3.38Å
68R94.7Very high91.8Very high148 Ų14851.6 Ų51.656%0.55827%0.269SS*.Hα-helixtrans-65.6-32.9171.9-168.2-178-52.8-152.9-3.3112.7D65 Q71 S72D65-R68 HydrophobicContact CB-CB 4.2Å; D65-R68 PolarHBondContact O-N 2.96Å; D65-R68 WeakPolarHBondContact OD1-CB 3.47Å; D65-R68 PolarHBondContact OD1-N 3.48Å; D65-R68 WeakPolarHBondContact OD2-CB 3.44Å; D65-R68 IonicContact OD2-CZ 2.96Å; D65-R68 VanDerWaalsContact OD2-CZ 3.29Å; D65-R68 IonicContact OD2-NE 3.91Å; D65-R68 PolarHBondContact OD2-NE 2.87Å; D65-R68 IonicContact OD2-NH2 2.95Å; D65-R68 PolarHBondContact OD2-NH2 2.97Å; D65-R68 VanDerWaalsContact OD2-NH2 3.11Å; R68-Q71 WeakPolarHBondContact O-CB 3.38Å; R68-Q71 PolarHBondContact O-N 2.93Å; R68-S72 PolarHBondContact O-N 2.78Å; R68-S72 PolarHBondContact O-OG 3.21Å
69A94.2Very high91.4Very high18 Ų1854.6 Ų54.615%0.14928%0.282CS..Hα-helixtrans-64.1-44.5173.400000111.5L4 D65 I66 H67 S72 L73L4-A69 HydrophobicContact CB-CB 4.06Å; L4-A69 VanDerWaalsContact CD2-C 3.4Å; L4-A69 HydrophobicContact CD2-CB 3.79Å; L4-A69 WeakPolarHBondContact CD2-O 3.41Å; L4-A69 HydrophobicContact CG-CB 4.46Å; D65-A69 PolarHBondContact O-N 3.03Å; D65-A69 VanDerWaalsContact O-N 3.12Å; I66-A69 WeakPolarHBondContact O-CB 3.35Å; I66-A69 PolarHBondContact O-N 3.39Å; H67-A69 VanDerWaalsContact C-N 3.3Å; H67-A69 PolarHBondContact O-N 2.84Å; A69-S72 PolarHBondContact O-N 3.18Å; A69-L73 PolarHBondContact O-N 3.4Å
70F95Very high90.9Very high1 Ų157.5 Ų57.50%0.00431%0.309CS..Hα-helixtrans-63-42.6173.8-83.6-68.7000112L4 A40 L60 I66 H67 S72 L73 L74 Y112L4-F70 HydrophobicContact CD1-CD1 4.19Å; L4-F70 HydrophobicContact CD1-CD2 4.18Å; L4-F70 HydrophobicContact CD1-CE1 3.75Å; L4-F70 HydrophobicContact CD1-CE2 3.72Å; L4-F70 HydrophobicContact CD1-CG 4.39Å; L4-F70 HydrophobicContact CD1-CZ 3.5Å; L4-F70 HydrophobicContact CD2-CD1 3.98Å; L4-F70 HydrophobicContact CD2-CE1 4.3Å; L4-F70 HydrophobicContact CD2-CG 4.11Å; A40-F70 HydrophobicContact CB-CD2 3.76Å; A40-F70 HydrophobicContact CB-CE2 3.4Å; A40-F70 VanDerWaalsContact CB-CE2 3.4Å; A40-F70 HydrophobicContact CB-CZ 3.95Å; L60-F70 HydrophobicContact CD1-CE2 4.21Å; L60-F70 HydrophobicContact CD2-CE2 4.06Å; L60-F70 HydrophobicContact CD2-CZ 4.28Å; I66-F70 WeakPolarHBondContact O-CD2 3.41Å; I66-F70 PolarHBondContact O-N 3.1Å; H67-F70 PolarHBondContact O-N 3.17Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 3.38Å; F70-L73 PolarHBondContact O-N 3.01Å; F70-L74 WeakPolarHBondContact O-CB 3.38Å; F70-L74 VanDerWaalsContact O-CG 3.29Å; F70-L74 WeakPolarHBondContact O-CG 3.33Å; F70-L74 PolarHBondContact O-N 2.78Å; F70-Y112 HydrophobicContact CB-CD1 4.28Å; F70-Y112 HydrophobicContact CB-CE1 3.59Å; F70-Y112 HydrophobicContact CD1-CE1 4.47Å; F70-Y112 HydrophobicContact CD2-CE1 4.07Å; F70-Y112 AromaticContact CG-CE1 3.82Å; F70-Y112 HydrophobicContact CG-CE1 3.82Å
71Q95.3Very high90.3Very high52 Ų5259.5 Ų59.524%0.24333%0.333CS..Hα-helixtrans-54.8-47.2175.2-171.9-170.929.500111.7H67 R68 L74 T75 Q110 F111H67-Q71 PolarHBondContact O-N 3.1Å; R68-Q71 WeakPolarHBondContact O-CB 3.38Å; R68-Q71 PolarHBondContact O-N 2.93Å; Q71-L74 PolarHBondContact O-N 3.24Å; Q71-T75 VanDerWaalsContact O-CB 3.32Å; Q71-T75 WeakPolarHBondContact O-CB 3.36Å; Q71-T75 PolarHBondContact O-N 3.45Å; Q71-T75 PolarHBondContact O-OG1 3.29Å; Q71-Q110 PolarHBondContact NE2-O 3.26Å; Q71-F111 WeakPolarHBondContact CA-O 3.41Å; Q71-F111 HydrophobicContact CB-CD1 4.3Å; Q71-F111 WeakPolarHBondContact CB-O 3.25Å; Q71-F111 PolarHBondContact N-O 3.18Å
72S94.7Very high90.1Very high55 Ų5558 Ų5839%0.38533%0.326SS..Hα-helixtrans-62.6-45.2179-56.90000111.5R68 A69 F70 T75 E76R68-S72 PolarHBondContact O-N 2.78Å; R68-S72 PolarHBondContact O-OG 3.21Å; A69-S72 PolarHBondContact O-N 3.18Å; F70-S72 VanDerWaalsContact C-N 3.29Å; F70-S72 PolarHBondContact O-N 3.38Å; S72-T75 PolarHBondContact O-N 3.18Å; S72-E76 PolarHBondContact O-N 3.04Å
73L93.3Very high90.2Very high3 Ų356.5 Ų56.52%0.01631%0.312CS..Hα-helixtrans-63.2-48.4178.1177.462.1000111.8L4 V33 A69 F70 T75 E76 V77 A364L4-L73 HydrophobicContact CD2-CB 4.12Å; L4-L73 HydrophobicContact CD2-CD2 3.93Å; V33-L73 HydrophobicContact CG1-CD2 3.77Å; V33-L73 HydrophobicContact CG1-CG 4.47Å; V33-L73 HydrophobicContact CG2-CD2 4.37Å; A69-L73 PolarHBondContact O-N 3.4Å; F70-L73 PolarHBondContact O-N 3.01Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 3.07Å; L73-E76 PolarHBondContact O-N 3.35Å; L73-V77 HydrophobicContact CD1-CG2 3.8Å; L73-V77 HydrophobicContact CG-CG2 4.39Å; L73-V77 WeakPolarHBondContact O-CB 3.4Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.43Å; L73-V77 PolarHBondContact O-N 3.3Å; L73-A364 HydrophobicContact CD1-CB 3.84Å
74L93.4Very high90.4Very high16 Ų1648.6 Ų48.68%0.08428%0.275CS..Hα-helixtrans-64.7-36.2180-69.2173.6000111.6F70 Q71 N78 Y112F70-L74 WeakPolarHBondContact O-CB 3.38Å; F70-L74 VanDerWaalsContact O-CG 3.29Å; F70-L74 WeakPolarHBondContact O-CG 3.33Å; F70-L74 PolarHBondContact O-N 2.78Å; Q71-L74 PolarHBondContact O-N 3.24Å; L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.37Å; L74-N78 PolarHBondContact O-N 2.96Å; L74-N78 PolarHBondContact O-ND2 3.14Å; L74-Y112 HydrophobicContact CD1-CD1 3.95Å
75T93Very high90.6Very high73 Ų7347 Ų4745%0.44827%0.269SS..Hα-helixtrans-65.3-44.7174.4-580000111.4Q71 S72 L73 K79 H113Q71-T75 VanDerWaalsContact O-CB 3.32Å; Q71-T75 WeakPolarHBondContact O-CB 3.36Å; Q71-T75 PolarHBondContact O-N 3.45Å; Q71-T75 PolarHBondContact O-OG1 3.29Å; S72-T75 PolarHBondContact O-N 3.18Å; L73-T75 VanDerWaalsContact C-N 3.3Å; L73-T75 PolarHBondContact O-N 3.07Å; T75-K79 PolarHBondContact O-N 2.89Å; T75-K79 VanDerWaalsContact O-N 3.11Å; T75-H113 PolarHBondContact OG1-CE1 3.1Å
76E92Very high90.7Very high35 Ų3544.1 Ų44.116%0.16425%0.253CS..Hα-helixtrans-66.2-43.7179.2-17965.4-15900111.7S72 L73 K79 H361 R363S72-E76 PolarHBondContact O-N 3.04Å; L73-E76 PolarHBondContact O-N 3.35Å; E76-K79 VanDerWaalsContact O-CD 3.31Å; E76-K79 WeakPolarHBondContact O-CD 3.3Å; E76-K79 VanDerWaalsContact O-CG 3.25Å; E76-K79 WeakPolarHBondContact O-CG 3.29Å; E76-K79 IonicContact OE1-NZ 3.79Å; E76-K79 PolarHBondContact OE1-NZ 2.83Å; E76-H361 IonicContact OE1-CE1 3.38Å; E76-R363 VanDerWaalsContact CD-NH1 3.27Å; E76-R363 WeakPolarHBondContact OE1-CD 3.45Å; E76-R363 IonicContact OE1-CZ 3.02Å; E76-R363 IonicContact OE1-NH1 3.92Å; E76-R363 PolarHBondContact OE1-NH1 3.38Å; E76-R363 IonicContact OE2-CZ 3.59Å; E76-R363 IonicContact OE2-NH1 2.98Å; E76-R363 PolarHBondContact OE2-NH1 3.08Å
77V91.3Very high90.6Very high8 Ų847.8 Ų47.85%0.04827%0.266CS..Hα-helixtrans-76-27.4-175.8172.70000112.4L73 Y84 L86 L368L73-V77 HydrophobicContact CD1-CG2 3.8Å; L73-V77 HydrophobicContact CG-CG2 4.39Å; L73-V77 WeakPolarHBondContact O-CB 3.4Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.43Å; L73-V77 PolarHBondContact O-N 3.3Å; V77-Y84 PolarHBondContact O-OH 3.34Å; V77-Y84 VanDerWaalsContact O-OH 3.06Å; V77-L86 HydrophobicContact CG1-CD2 3.28Å; V77-L368 HydrophobicContact CG1-CD1 3.97Å; V77-L368 HydrophobicContact CG1-CD2 3.99Å; V77-L368 HydrophobicContact CG2-CD2 3.93Å
78N89Confident90.4Very high69 Ų6948.2 Ų48.237%0.36927%0.271SS..THydrogen-bonded Turntrans-103.215.7176.8-61.7-80.6000113.2L74L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.37Å; L74-N78 PolarHBondContact O-N 2.96Å; L74-N78 PolarHBondContact O-ND2 3.14Å
79K88.3Confident90.2Very high64 Ų6441.2 Ų41.228%0.27825%0.245SC..  trans-60146.518071.5-171173-175.60111.2T75 E76 T82 E225T75-K79 PolarHBondContact O-N 2.89Å; T75-K79 VanDerWaalsContact O-N 3.11Å; E76-K79 VanDerWaalsContact O-CD 3.31Å; E76-K79 WeakPolarHBondContact O-CD 3.3Å; E76-K79 VanDerWaalsContact O-CG 3.25Å; E76-K79 WeakPolarHBondContact O-CG 3.29Å; E76-K79 IonicContact OE1-NZ 3.79Å; E76-K79 PolarHBondContact OE1-NZ 2.83Å; K79-T82 HydrophobicContact CD-CG2 4.39Å; K79-T82 HydrophobicContact CG-CG2 3.64Å; K79-T82 WeakPolarHBondContact O-CG2 3.33Å; K79-E225 WeakPolarHBondContact CE-OE1 3.41Å; K79-E225 IonicContact NZ-OE1 2.77Å; K79-E225 PolarHBondContact NZ-OE1 2.86Å
80A83.5Confident90.2Very high104 Ų10441.2 Ų41.286%0.8624%0.243SC*.THydrogen-bonded Turntrans-67.7149.5174.500000111.3
81G82.8Confident90.3Very high58 Ų5842.3 Ų42.360%0.59825%0.247SC*.THydrogen-bonded Turntrans83.710.1174.400000115.7
82T84.3Confident90.4Very high33 Ų3339.9 Ų39.920%0.20224%0.236CC..  trans-62.7152.8167.554.90000110.7K79 Y84K79-T82 HydrophobicContact CD-CG2 4.39Å; K79-T82 HydrophobicContact CG-CG2 3.64Å; K79-T82 WeakPolarHBondContact O-CG2 3.33Å; T82-Y84 VanDerWaalsContact C-N 3.29Å; T82-Y84 HydrophobicContact CG2-CD1 4.36Å; T82-Y84 HydrophobicContact CG2-CE1 3.62Å; T82-Y84 HydrophobicContact CG2-CE2 4.22Å; T82-Y84 PolarHBondContact OG1-O 3.29Å
83Q85.1Confident90.6Very high66 Ų6637.3 Ų37.331%0.30822%0.217SC..SBendtrans-93.111.9176.7-66.8-66.8-34.900113A222 R223 T327Q83-A222 HydrophobicContact CB-CB 3.5Å; Q83-A222 VanDerWaalsContact CB-CB 3.5Å; Q83-A222 HydrophobicContact CG-CB 4.3Å; Q83-R223 HydrophobicContact CG-CG 3.97Å; Q83-T327 HydrophobicContact CB-CG2 4.22Å; Q83-T327 HydrophobicContact CG-CG2 4.4Å
84Y88Confident90.7Very high12 Ų1237.1 Ų37.15%0.04722%0.216CC..SBendtrans-121.7149.6174.958.8-96.2000110.4V77 T82 L86 F167 E225 L226V77-Y84 PolarHBondContact O-OH 3.34Å; V77-Y84 VanDerWaalsContact O-OH 3.06Å; T82-Y84 VanDerWaalsContact C-N 3.29Å; T82-Y84 HydrophobicContact CG2-CD1 4.36Å; T82-Y84 HydrophobicContact CG2-CE1 3.62Å; T82-Y84 HydrophobicContact CG2-CE2 4.22Å; T82-Y84 PolarHBondContact OG1-O 3.29Å; Y84-L86 HydrophobicContact CD2-CB 3.88Å; Y84-L86 HydrophobicContact CE2-CB 3.82Å; Y84-L86 HydrophobicContact CE2-CD2 4.27Å; Y84-F167 HydrophobicContact CD2-CE2 4.06Å; Y84-F167 HydrophobicContact CG-CE2 4.16Å; Y84-E225 HydrophobicContact CE1-CB 4.06Å; Y84-L226 HydrophobicContact CD1-CD1 3.61Å; Y84-L226 HydrophobicContact CD1-CG 3.83Å; Y84-L226 HydrophobicContact CD2-CD1 3.86Å; Y84-L226 HydrophobicContact CE1-CD1 3.8Å; Y84-L226 HydrophobicContact CE1-CD2 4.22Å; Y84-L226 HydrophobicContact CE1-CG 3.73Å; Y84-L226 HydrophobicContact CE2-CD1 4.04Å; Y84-L226 HydrophobicContact CG-CD1 3.63Å; Y84-L226 HydrophobicContact CG-CG 4.37Å
85L87.3Confident90.9Very high49 Ų4936.4 Ų36.426%0.25721%0.212SC..EExtended strand (participates in β ladder)trans-91.1110.8173.9-177.362.1000108.9R87 Y166 F167 K168L85-R87 HydrophobicContact CD1-CG 4.08Å; L85-R87 HydrophobicContact CG-CG 4.41Å; L85-Y166 HydrophobicContact CD2-CD1 4.37Å; L85-Y166 HydrophobicContact CD2-CE1 3.45Å; L85-Y166 VanDerWaalsContact CD2-CE1 3.45Å; L85-Y166 HydrophobicContact CG-CE1 4.11Å; L85-F167 WeakPolarHBondContact O-CA 3.48Å; L85-K168 HydrophobicContact CB-CB 4.25Å; L85-K168 PolarHBondContact N-O 3.37Å; L85-K168 PolarHBondContact O-N 2.84Å
86L92.1Very high90.9Very high12 Ų1237.4 Ų37.46%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-121127.8169.7-171.368.5000109.2V77 Y84 I165 Y166 F167 F369V77-L86 HydrophobicContact CG1-CD2 3.28Å; Y84-L86 HydrophobicContact CD2-CB 3.88Å; Y84-L86 HydrophobicContact CE2-CB 3.82Å; Y84-L86 HydrophobicContact CE2-CD2 4.27Å; L86-I165 HydrophobicContact CD1-CD1 4Å; L86-I165 HydrophobicContact CD1-CG1 4.05Å; L86-Y166 WeakPolarHBondContact CA-O 3.45Å; L86-F167 HydrophobicContact CD1-CB 4.15Å; L86-F167 HydrophobicContact CD1-CD2 4.07Å; L86-F369 HydrophobicContact CD1-CE2 3.9Å; L86-F369 HydrophobicContact CD1-CZ 3.73Å
87R90.3Very high91Very high93 Ų9339.7 Ų39.735%0.35123%0.227SC..EExtended strand (participates in β ladder)trans-131.7116.1179.6-66.6-67.9179.6-96.21.9108.9L85 E141 I165 Y166L85-R87 HydrophobicContact CD1-CG 4.08Å; L85-R87 HydrophobicContact CG-CG 4.41Å; R87-E141 HydrophobicContact CG-CG 4.03Å; R87-E141 IonicContact CZ-OE1 3.21Å; R87-E141 IonicContact NE-OE1 2.71Å; R87-E141 PolarHBondContact NE-OE1 2.85Å; R87-E141 IonicContact NH2-OE1 2.79Å; R87-I165 CarbonylContact O-C 3.6Å; R87-I165 WeakPolarHBondContact O-CA 3.49Å; R87-Y166 HydrophobicContact CB-CD1 4.25Å; R87-Y166 HydrophobicContact CG-CD1 4.22Å; R87-Y166 PolarHBondContact N-O 2.91Å; R87-Y166 PolarHBondContact O-N 2.92Å
88T91.2Very high91.1Very high44 Ų4439.6 Ų39.627%0.2723%0.227SC..EExtended strand (participates in β ladder)trans-116.7128-178.5-51.10000109.7N90T88-N90 HydrophobicContact CG2-CB 4.22Å
89A90.3Very high91.4Very high1 Ų143.6 Ų43.61%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-111.897.5170.200000108W135 K139 T140 N163 A164A89-W135 HydrophobicContact CB-CH2 3.85Å; A89-W135 HydrophobicContact CB-CZ3 4Å; A89-K139 HydrophobicContact CB-CB 3.6Å; A89-K139 HydrophobicContact CB-CG 4.27Å; A89-T140 HydrophobicContact CB-CG2 4.34Å; A89-N163 CarbonylContact O-C 3.56Å; A89-N163 WeakPolarHBondContact O-CA 3.5Å; A89-A164 HydrophobicContact CB-CB 4.21Å; A89-A164 PolarHBondContact N-O 2.97Å; A89-A164 PolarHBondContact O-N 3.03Å
90N94.3Very high91.7Very high17 Ų1741.4 Ų41.49%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-121.8120.1179.2-169.925.5000109.2A38 M41 T88 A114 V162 N163A38-N90 WeakPolarHBondContact CB-OD1 3.4Å; M41-N90 VanDerWaalsContact CE-CG 3.5Å; M41-N90 WeakPolarHBondContact CE-ND2 3.43Å; M41-N90 WeakPolarHBondContact CE-OD1 3.28Å; M41-N90 PolarHBondContact SD-ND2 3.35Å; M41-N90 VanDerWaalsContact SD-ND2 3.39Å; T88-N90 HydrophobicContact CG2-CB 4.22Å; N90-A114 WeakPolarHBondContact O-CB 3.49Å; N90-V162 WeakPolarHBondContact CA-O 3.21Å; N90-V162 PolarHBondContact OD1-O 2.77Å; N90-N163 PolarHBondContact OD1-ND2 2.89Å
91R96.9Very high92.4Very high25 Ų2539.7 Ų39.79%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-159.7144.6-176.4179.2166.1-75.1-169.3-5.6111.7F93 E115 W135 V162R91-F93 HydrophobicContact CB-CE2 3.9Å; R91-F93 HydrophobicContact CB-CZ 4.19Å; R91-F93 HydrophobicContact CG-CD1 4.47Å; R91-F93 HydrophobicContact CG-CD2 4.16Å; R91-F93 HydrophobicContact CG-CE1 4.11Å; R91-F93 HydrophobicContact CG-CE2 3.74Å; R91-F93 HydrophobicContact CG-CZ 3.74Å; R91-E115 WeakPolarHBondContact CG-O 3.35Å; R91-E115 IonicContact CZ-OE1 3.52Å; R91-E115 IonicContact NH2-OE1 2.91Å; R91-E115 PolarHBondContact NH2-OE1 3.42Å; R91-E115 IonicContact NH2-OE2 3.96Å; R91-W135 HydrophobicContact CB-CH2 3.26Å; R91-W135 HydrophobicContact CB-CZ2 3.77Å; R91-W135 HydrophobicContact CB-CZ3 3.83Å; R91-W135 HydrophobicContact CG-CH2 4.25Å; R91-W135 HydrophobicContact CG-CZ2 4.41Å; R91-V162 PolarHBondContact N-O 3.42Å; R91-V162 PolarHBondContact O-N 3.31Å
92L97.5Very high93Very high1 Ų140.3 Ų40.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-91136.2165.5-76.7165.3000109.6M41 V42 F104 E115 L116 K117 L159 L161 M303M41-L92 HydrophobicContact CE-CG 4.37Å; V42-L92 HydrophobicContact CG2-CD2 3.89Å; L92-F104 HydrophobicContact CD1-CE1 3.95Å; L92-F104 HydrophobicContact CD1-CZ 3.63Å; L92-E115 PolarHBondContact N-O 3.23Å; L92-L116 HydrophobicContact CB-CB 4.18Å; L92-L116 HydrophobicContact CB-CD1 4.16Å; L92-L116 HydrophobicContact CB-CG 4.09Å; L92-L116 CarbonylContact O-C 3.58Å; L92-L116 WeakPolarHBondContact O-CA 3.44Å; L92-K117 PolarHBondContact O-N 2.83Å; L92-L159 HydrophobicContact CD2-CD1 4.1Å; L92-L159 HydrophobicContact CD2-CD2 4.39Å; L92-L159 HydrophobicContact CD2-CG 4.21Å; L92-L161 HydrophobicContact CD2-CB 3.96Å; L92-L161 HydrophobicContact CD2-CD1 3.64Å; L92-L161 HydrophobicContact CD2-CG 4.37Å; L92-L161 HydrophobicContact CG-CD1 3.98Å; L92-M303 HydrophobicContact CD1-CE 4.4Å
93F97.9Very high93.5Very high0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-117.8115.6170.5-62.3-88.1000109.2R91 K117 L119 F121 I132 W135 L159 V160 V162R91-F93 HydrophobicContact CB-CE2 3.9Å; R91-F93 HydrophobicContact CB-CZ 4.19Å; R91-F93 HydrophobicContact CG-CD1 4.47Å; R91-F93 HydrophobicContact CG-CD2 4.16Å; R91-F93 HydrophobicContact CG-CE1 4.11Å; R91-F93 HydrophobicContact CG-CE2 3.74Å; R91-F93 HydrophobicContact CG-CZ 3.74Å; F93-K117 CarbonylContact C-O 3.57Å; F93-K117 VanDerWaalsContact CA-O 3.24Å; F93-K117 WeakPolarHBondContact CA-O 3.42Å; F93-K117 HydrophobicContact CD1-CB 3.89Å; F93-K117 HydrophobicContact CD1-CG 4.35Å; F93-K117 HydrophobicContact CE1-CB 4.08Å; F93-K117 HydrophobicContact CE1-CD 4.2Å; F93-K117 HydrophobicContact CE1-CG 4.44Å; F93-L119 HydrophobicContact CB-CD1 4.29Å; F93-L119 HydrophobicContact CD1-CD1 3.43Å; F93-L119 VanDerWaalsContact CD1-CD1 3.43Å; F93-L119 HydrophobicContact CD1-CG 3.99Å; F93-L119 HydrophobicContact CE1-CD1 4.02Å; F93-L119 HydrophobicContact CG-CD1 4.15Å; F93-F121 HydrophobicContact CB-CZ 3.79Å; F93-I132 HydrophobicContact CB-CD1 4.22Å; F93-I132 HydrophobicContact CD1-CD1 4.29Å; F93-I132 HydrophobicContact CD1-CG1 3.93Å; F93-I132 HydrophobicContact CD2-CD1 4.02Å; F93-I132 HydrophobicContact CD2-CG1 3.99Å; F93-I132 HydrophobicContact CE1-CG1 3.84Å; F93-I132 HydrophobicContact CE2-CD1 4.42Å; F93-I132 HydrophobicContact CE2-CG1 3.92Å; F93-I132 HydrophobicContact CE2-CG2 4.07Å; F93-I132 HydrophobicContact CG-CD1 3.93Å; F93-I132 HydrophobicContact CG-CG1 3.98Å; F93-I132 HydrophobicContact CZ-CB 4.47Å; F93-I132 HydrophobicContact CZ-CG1 3.82Å; F93-I132 HydrophobicContact CZ-CG2 4.36Å; F93-W135 HydrophobicContact CE2-CE3 4.08Å; F93-W135 AromaticContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CZ-CD2 4.11Å; F93-W135 AromaticContact CZ-CE3 3.63Å; F93-W135 HydrophobicContact CZ-CE3 3.63Å; F93-W135 AromaticContact CZ-CZ3 3.93Å; F93-W135 HydrophobicContact CZ-CZ3 3.93Å; F93-L159 CarbonylContact O-C 3.58Å; F93-L159 WeakPolarHBondContact O-CA 3.28Å; F93-V160 HydrophobicContact CB-CB 4.35Å; F93-V160 PolarHBondContact N-O 2.63Å; F93-V160 PolarHBondContact O-N 2.93Å; F93-V162 HydrophobicContact CD2-CB 4.18Å; F93-V162 HydrophobicContact CD2-CG2 3.78Å; F93-V162 HydrophobicContact CE2-CB 3.87Å; F93-V162 HydrophobicContact CE2-CG1 4.42Å; F93-V162 HydrophobicContact CE2-CG2 3.75Å
94G96.9Very high94.1Very high0 Ų039.8 Ų39.80%021%0.206CC..EExtended strand (participates in β ladder)trans-107.3150.8-17900000112K96 F100 K117 E118 L119 R158G94-K96 PolarHBondContact O-N 2.74Å; G94-F100 VanDerWaalsContact CA-CZ 3.5Å; G94-K117 PolarHBondContact N-O 3.5Å; G94-E118 CarbonylContact O-C 3.6Å; G94-E118 VanDerWaalsContact O-CA 3.31Å; G94-E118 WeakPolarHBondContact O-CA 3.44Å; G94-L119 PolarHBondContact O-N 3.3Å; G94-R158 CarbonylContact C-O 2.99Å; G94-R158 WeakPolarHBondContact CA-O 3.32Å
95E96.5Very high94.5Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-63.2128.5169.7173.758.1-137.300109.9T97 C98 F100 L119 F121 I122 R158E95-T97 VanDerWaalsContact CG-OG1 3.3Å; E95-T97 WeakPolarHBondContact CG-OG1 3.24Å; E95-T97 PolarHBondContact O-N 3.17Å; E95-C98 VanDerWaalsContact O-CB 3.31Å; E95-C98 WeakPolarHBondContact O-CB 3.45Å; E95-C98 PolarHBondContact O-N 3.41Å; E95-F100 WeakPolarHBondContact O-CE2 3.49Å; E95-L119 CarbonylContact C-O 3.48Å; E95-L119 WeakPolarHBondContact CA-O 3.46Å; E95-F121 HydrophobicContact CB-CD2 4.05Å; E95-F121 VanDerWaalsContact OE2-CA 3.28Å; E95-F121 WeakPolarHBondContact OE2-CA 3.21Å; E95-F121 VanDerWaalsContact OE2-CB 3.29Å; E95-F121 WeakPolarHBondContact OE2-CB 3.35Å; E95-F121 PolarHBondContact OE2-N 3.02Å; E95-I122 HydrophobicContact CG-CD1 3.7Å; E95-I122 HydrophobicContact CG-CG1 4.02Å; E95-I122 PolarHBondContact OE2-N 3.46Å; E95-R158 PolarHBondContact N-O 2.9Å
96K94.7Very high95Very high95 Ų9545.7 Ų45.741%0.41323%0.232SC..THydrogen-bonded Turntrans-61.4-19.1-17568.4174.4-171.1-154.80114.6G94 C98 E118 L119 S120G94-K96 PolarHBondContact O-N 2.74Å; K96-C98 VanDerWaalsContact C-N 3.31Å; K96-E118 HydrophobicContact CB-CB 4.13Å; K96-L119 WeakPolarHBondContact CB-O 3.35Å; K96-L119 PolarHBondContact N-O 2.97Å; K96-S120 WeakPolarHBondContact CE-OG 3.33Å; K96-S120 PolarHBondContact NZ-OG 2.87Å
97T93.7Very high95.2Very high82 Ų8246.7 Ų46.750%0.50324%0.24SC..THydrogen-bonded Turntrans-79.8-16.1176.261.60000112.3E95E95-T97 VanDerWaalsContact CG-OG1 3.3Å; E95-T97 WeakPolarHBondContact CG-OG1 3.24Å; E95-T97 PolarHBondContact O-N 3.17Å
98C93.1Very high95.5Very high7 Ų742.3 Ų42.35%0.04722%0.223CC..SBendtrans-77.9134175.3-62.80000110.5E95 K96 F100E95-C98 VanDerWaalsContact O-CB 3.31Å; E95-C98 WeakPolarHBondContact O-CB 3.45Å; E95-C98 PolarHBondContact O-N 3.41Å; K96-C98 VanDerWaalsContact C-N 3.31Å; C98-F100 HydrophobicContact CB-CD2 4.32Å; C98-F100 HydrophobicContact CB-CE1 4.33Å; C98-F100 HydrophobicContact CB-CE2 3.65Å; C98-F100 HydrophobicContact CB-CZ 3.65Å; C98-F100 WeakPolarHBondContact O-CD2 3.26Å; C98-F100 PolarHBondContact O-N 3.42Å
99Q94.2Very high95.7Very high153 Ų15345.1 Ų45.172%0.71524%0.236SC*.  trans-85.693.8178.1-65.7-176.93.700110.3S304Q99-S304 WeakPolarHBondContact O-CA 3.23Å; Q99-S304 WeakPolarHBondContact O-CB 3.34Å; Q99-S304 PolarHBondContact O-OG 3.4Å
100F96.3Very high96Very high18 Ų1850.2 Ų50.28%0.07926%0.26CS..BIsolated β-bridgetrans-80.7134.1177.4-63.9-73.6000111.9G94 E95 C98 L116 E118 L159 M303 L309G94-F100 VanDerWaalsContact CA-CZ 3.5Å; E95-F100 WeakPolarHBondContact O-CE2 3.49Å; C98-F100 HydrophobicContact CB-CD2 4.32Å; C98-F100 HydrophobicContact CB-CE1 4.33Å; C98-F100 HydrophobicContact CB-CE2 3.65Å; C98-F100 HydrophobicContact CB-CZ 3.65Å; C98-F100 WeakPolarHBondContact O-CD2 3.26Å; C98-F100 PolarHBondContact O-N 3.42Å; F100-L116 HydrophobicContact CB-CD2 4.19Å; F100-L116 HydrophobicContact CD1-CD1 3.55Å; F100-L116 HydrophobicContact CD1-CD2 4.2Å; F100-L116 HydrophobicContact CD2-CD1 4.41Å; F100-L116 HydrophobicContact CD2-CD2 3.57Å; F100-L116 HydrophobicContact CE1-CD1 3.75Å; F100-L116 HydrophobicContact CE2-CD2 3.95Å; F100-L116 HydrophobicContact CG-CD1 3.91Å; F100-L116 HydrophobicContact CG-CD2 3.71Å; F100-L116 HydrophobicContact CZ-CD1 4.28Å; F100-L116 HydrophobicContact CZ-CD2 4.43Å; F100-E118 HydrophobicContact CD2-CG 3.86Å; F100-E118 HydrophobicContact CE2-CG 4.11Å; F100-L159 HydrophobicContact CE1-CD1 4.32Å; F100-L159 HydrophobicContact CZ-CD1 4.46Å; F100-M303 WeakPolarHBondContact CA-O 3.39Å; F100-M303 HydrophobicContact CD1-CG 4Å; F100-M303 HydrophobicContact CD1-SD 4.43Å; F100-M303 HydrophobicContact CE1-CG 4.31Å; F100-M303 HydrophobicContact CE1-SD 4.18Å; F100-L309 HydrophobicContact CE1-CD1 4.4Å; F100-L309 HydrophobicContact CE1-CD2 3.88Å
101L96.6Very high96Very high67 Ų6750.7 Ų50.735%0.35126%0.261SS..  trans-67.8137.1-178.6-61.4177.7000111.2T103 F104 K105 M303L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; L101-F104 HydrophobicContact CB-CB 4.2Å; L101-F104 WeakPolarHBondContact O-CB 3.32Å; L101-F104 PolarHBondContact O-N 3.47Å; L101-K105 PolarHBondContact O-N 3.49Å; L101-M303 PolarHBondContact N-O 2.98Å
102S96Very high96Very high72 Ų7249.8 Ų49.850%0.50326%0.258SS..Hα-helixtrans-63.6-40.4176.856.40000111.8F104 K105 E106S102-F104 VanDerWaalsContact C-N 3.25Å; S102-F104 PolarHBondContact O-N 3.12Å; S102-K105 WeakPolarHBondContact O-CB 3.12Å; S102-K105 PolarHBondContact O-N 2.86Å; S102-K105 VanDerWaalsContact O-N 3.1Å; S102-E106 WeakPolarHBondContact O-CB 3.05Å; S102-E106 WeakPolarHBondContact O-CG 3.37Å; S102-E106 PolarHBondContact O-N 3.26Å
103T95.9Very high95.7Very high82 Ų8254.6 Ų54.650%0.50328%0.28SS..Hα-helixtrans-58.4-37.117751.60000112.5L101 S107L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-OG 2.91Å
104F96.6Very high95.6Very high5 Ų554.8 Ų54.82%0.02228%0.281CS..Hα-helixtrans-66.2-49.6174174.4-97.3000111.2M41 L44 L92 L101 S102 E106 S107 C108 L116 M303M41-F104 WeakPolarHBondContact O-CE2 3.49Å; L44-F104 HydrophobicContact CB-CD2 4.19Å; L44-F104 HydrophobicContact CB-CE2 3.88Å; L92-F104 HydrophobicContact CD1-CE1 3.95Å; L92-F104 HydrophobicContact CD1-CZ 3.63Å; L101-F104 HydrophobicContact CB-CB 4.2Å; L101-F104 WeakPolarHBondContact O-CB 3.32Å; L101-F104 PolarHBondContact O-N 3.47Å; S102-F104 VanDerWaalsContact C-N 3.25Å; S102-F104 PolarHBondContact O-N 3.12Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.07Å; F104-S107 PolarHBondContact O-N 2.89Å; F104-S107 VanDerWaalsContact O-N 3.17Å; F104-C108 VanDerWaalsContact CE1-SG 3.51Å; F104-C108 WeakPolarHBondContact CZ-SG 3.38Å; F104-C108 PolarHBondContact O-N 3.33Å; F104-C108 PolarHBondContact O-SG 3.48Å; F104-C108 VanDerWaalsContact O-SG 3.4Å; F104-L116 HydrophobicContact CD1-CD1 4.28Å; F104-L116 HydrophobicContact CE1-CB 4.4Å; F104-L116 HydrophobicContact CE1-CD1 3.74Å; F104-M303 HydrophobicContact CD1-CG 3.7Å; F104-M303 HydrophobicContact CD2-CB 4.3Å; F104-M303 HydrophobicContact CD2-CG 4.15Å; F104-M303 HydrophobicContact CE1-CE 4.29Å; F104-M303 HydrophobicContact CE1-CG 3.55Å; F104-M303 HydrophobicContact CE1-SD 4.14Å; F104-M303 HydrophobicContact CE2-CB 4.36Å; F104-M303 HydrophobicContact CE2-CE 4.01Å; F104-M303 HydrophobicContact CE2-CG 4.01Å; F104-M303 HydrophobicContact CG-CB 4.4Å; F104-M303 HydrophobicContact CG-CG 4.01Å; F104-M303 HydrophobicContact CZ-CE 3.63Å; F104-M303 HydrophobicContact CZ-CG 3.72Å; F104-M303 HydrophobicContact CZ-SD 4.09Å
105K96.9Very high95.5Very high66 Ų6659.5 Ų59.529%0.28730%0.303SS..Hα-helixtrans-58.3-43.4178.5-66.3177179.9172.80112.1L101 S102 C108 L109 L116 E118L101-K105 PolarHBondContact O-N 3.49Å; S102-K105 WeakPolarHBondContact O-CB 3.12Å; S102-K105 PolarHBondContact O-N 2.86Å; S102-K105 VanDerWaalsContact O-N 3.1Å; K105-C108 PolarHBondContact O-N 3.14Å; K105-L109 PolarHBondContact O-N 3.21Å; K105-L109 VanDerWaalsContact O-N 3.14Å; K105-L116 HydrophobicContact CG-CB 4.33Å; K105-E118 IonicContact NZ-OE1 3.15Å; K105-E118 PolarHBondContact NZ-OE1 3.35Å
106E97.2Very high95.5Very high120 Ų12060.2 Ų60.256%0.56131%0.307SS*.Hα-helixtrans-62.2-44.3176.4-72.5164.8-160.700111.4S102 F104 L109 Q110S102-E106 WeakPolarHBondContact O-CB 3.05Å; S102-E106 WeakPolarHBondContact O-CG 3.37Å; S102-E106 PolarHBondContact O-N 3.26Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.07Å; E106-L109 PolarHBondContact O-N 3.34Å; E106-Q110 WeakPolarHBondContact O-CB 3.1Å; E106-Q110 PolarHBondContact O-N 2.9Å
107S96.3Very high95.6Very high33 Ų3359 Ų5923%0.23130%0.302CS..Hα-helixtrans-64.9-39.8177.8-60.30000112.3T103 F104 L109 Q110 F111T103-S107 WeakPolarHBondContact O-CB 3.47Å; T103-S107 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-OG 2.91Å; F104-S107 PolarHBondContact O-N 2.89Å; F104-S107 VanDerWaalsContact O-N 3.17Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.3Å; S107-Q110 PolarHBondContact O-N 3.32Å; S107-F111 VanDerWaalsContact O-CD2 3.25Å; S107-F111 WeakPolarHBondContact O-CD2 3.47Å; S107-F111 PolarHBondContact O-N 3.08Å
108C96.3Very high95.7Very high1 Ų158.8 Ų58.81%0.00730%0.295CS..Hα-helixtrans-58.6-46.3173.2-69.90000111.6F104 K105 Y112 H113 A114F104-C108 VanDerWaalsContact CE1-SG 3.51Å; F104-C108 WeakPolarHBondContact CZ-SG 3.38Å; F104-C108 PolarHBondContact O-N 3.33Å; F104-C108 PolarHBondContact O-SG 3.48Å; F104-C108 VanDerWaalsContact O-SG 3.4Å; K105-C108 PolarHBondContact O-N 3.14Å; C108-Y112 WeakPolarHBondContact O-CA 3.34Å; C108-Y112 WeakPolarHBondContact O-CB 3.34Å; C108-Y112 PolarHBondContact O-N 3.46Å; C108-H113 PolarHBondContact O-N 3.06Å; C108-A114 CarbonylContact C-O 3.6Å; C108-A114 WeakPolarHBondContact CB-O 3.39Å; C108-A114 PolarHBondContact O-N 2.86Å
109L95.5Very high95.9Very high103 Ų10359.5 Ų59.554%0.53930%0.298SS..Hα-helixtrans-65.2-44.8-180-176.563.6000111K105 E106 S107 H113 A114 E115K105-L109 PolarHBondContact O-N 3.21Å; K105-L109 VanDerWaalsContact O-N 3.14Å; E106-L109 PolarHBondContact O-N 3.34Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.3Å; L109-H113 WeakPolarHBondContact O-CA 3.48Å; L109-H113 PolarHBondContact O-N 3.16Å; L109-A114 VanDerWaalsContact CA-O 3.29Å; L109-A114 WeakPolarHBondContact CA-O 3.49Å; L109-A114 PolarHBondContact N-O 3.01Å; L109-A114 VanDerWaalsContact N-O 3.08Å; L109-E115 HydrophobicContact CD1-CG 4.33Å
110Q96.2Very high96Very high108 Ų10852.8 Ų52.851%0.50527%0.268SS..Hα-helixtrans-62.6-52.5-178.9-179.81791.100112.4Q71 E106 S107Q71-Q110 PolarHBondContact NE2-O 3.26Å; E106-Q110 WeakPolarHBondContact O-CB 3.1Å; E106-Q110 PolarHBondContact O-N 2.9Å; S107-Q110 PolarHBondContact O-N 3.32Å
111F95.5Very high96Very high26 Ų2652 Ų5211%0.11427%0.265CS..Hα-helixtrans-91.3-25.1-169.7-63.9-61.4000114.1L44 H67 Q71 S107L44-F111 HydrophobicContact CD1-CD2 4.48Å; L44-F111 HydrophobicContact CD2-CD2 4.29Å; H67-F111 HydrophobicContact CB-CB 4.17Å; H67-F111 HydrophobicContact CB-CD1 3.99Å; H67-F111 HydrophobicContact CB-CD2 3.96Å; H67-F111 HydrophobicContact CB-CE1 4.37Å; H67-F111 HydrophobicContact CB-CE2 4.34Å; H67-F111 HydrophobicContact CB-CG 3.78Å; Q71-F111 WeakPolarHBondContact CA-O 3.41Å; Q71-F111 HydrophobicContact CB-CD1 4.3Å; Q71-F111 WeakPolarHBondContact CB-O 3.25Å; Q71-F111 PolarHBondContact N-O 3.18Å; S107-F111 VanDerWaalsContact O-CD2 3.25Å; S107-F111 WeakPolarHBondContact O-CD2 3.47Å; S107-F111 PolarHBondContact O-N 3.08Å
112Y95.5Very high95.9Very high7 Ų751.9 Ų51.93%0.02726%0.264CS..Hα-helixtrans-124.5-1.4-170.1-62.7-82.6000114.3S37 A40 M41 L44 H67 F70 L74 C108 A114S37-Y112 WeakPolarHBondContact O-CE1 3.49Å; A40-Y112 HydrophobicContact CB-CE1 3.9Å; A40-Y112 WeakPolarHBondContact CB-OH 3.41Å; A40-Y112 PolarHBondContact O-OH 2.83Å; M41-Y112 HydrophobicContact CB-CD2 4.39Å; M41-Y112 HydrophobicContact CG-CD1 3.61Å; M41-Y112 HydrophobicContact CG-CD2 3.53Å; M41-Y112 HydrophobicContact CG-CE1 4.13Å; M41-Y112 HydrophobicContact CG-CE2 4.07Å; M41-Y112 HydrophobicContact CG-CG 3.27Å; M41-Y112 VanDerWaalsContact SD-CB 3.6Å; M41-Y112 HydrophobicContact SD-CD1 4.49Å; M41-Y112 HydrophobicContact SD-CG 4Å; L44-Y112 HydrophobicContact CD1-CD2 3.78Å; L44-Y112 HydrophobicContact CD1-CE2 3.45Å; L44-Y112 VanDerWaalsContact CD1-CE2 3.45Å; L44-Y112 HydrophobicContact CG-CE2 3.96Å; H67-Y112 AromaticContact ND1-CE2 3.76Å; H67-Y112 AromaticContact ND1-CZ 3.67Å; H67-Y112 PolarHBondContact ND1-OH 3.38Å; F70-Y112 HydrophobicContact CB-CD1 4.28Å; F70-Y112 HydrophobicContact CB-CE1 3.59Å; F70-Y112 HydrophobicContact CD1-CE1 4.47Å; F70-Y112 HydrophobicContact CD2-CE1 4.07Å; F70-Y112 AromaticContact CG-CE1 3.82Å; F70-Y112 HydrophobicContact CG-CE1 3.82Å; L74-Y112 HydrophobicContact CD1-CD1 3.95Å; C108-Y112 WeakPolarHBondContact O-CA 3.34Å; C108-Y112 WeakPolarHBondContact O-CB 3.34Å; C108-Y112 PolarHBondContact O-N 3.46Å; Y112-A114 PolarHBondContact O-N 2.96Å; Y112-A114 VanDerWaalsContact O-N 3.12Å
113H92.9Very high96Very high102 Ų10258.2 Ų58.247%0.47228%0.277SS..SBendtrans52.432.4-174.7-49.9155000112T75 C108 L109T75-H113 PolarHBondContact OG1-CE1 3.1Å; C108-H113 PolarHBondContact O-N 3.06Å; L109-H113 WeakPolarHBondContact O-CA 3.48Å; L109-H113 PolarHBondContact O-N 3.16Å
114A94.8Very high96Very high3 Ų356 Ų563%0.02527%0.267CS..  trans-130.3154.6-173.300000109.8M41 N90 C108 L109 Y112M41-A114 HydrophobicContact CE-CB 4.29Å; M41-A114 HydrophobicContact SD-CB 3.31Å; M41-A114 WeakPolarHBondContact SD-CB 3.33Å; N90-A114 WeakPolarHBondContact O-CB 3.49Å; C108-A114 CarbonylContact C-O 3.6Å; C108-A114 WeakPolarHBondContact CB-O 3.39Å; C108-A114 PolarHBondContact O-N 2.86Å; L109-A114 VanDerWaalsContact CA-O 3.29Å; L109-A114 WeakPolarHBondContact CA-O 3.49Å; L109-A114 PolarHBondContact N-O 3.01Å; L109-A114 VanDerWaalsContact N-O 3.08Å; Y112-A114 PolarHBondContact O-N 2.96Å; Y112-A114 VanDerWaalsContact O-N 3.12Å
115E94.1Very high96Very high99 Ų9956.6 Ų56.646%0.46327%0.273SS..  trans-117.5160.6-176.4-66.3165.1-100.500109.9R91 L92 L109R91-E115 WeakPolarHBondContact CG-O 3.35Å; R91-E115 IonicContact CZ-OE1 3.52Å; R91-E115 IonicContact NH2-OE1 2.91Å; R91-E115 PolarHBondContact NH2-OE1 3.42Å; R91-E115 IonicContact NH2-OE2 3.96Å; L92-E115 PolarHBondContact N-O 3.23Å; L109-E115 HydrophobicContact CD1-CG 4.33Å
116L96.3Very high96Very high15 Ų1557 Ų578%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-98.5122.7158-176.9149.5000108.1L92 F100 F104 K105 E118 L159 M303L92-L116 HydrophobicContact CB-CB 4.18Å; L92-L116 HydrophobicContact CB-CD1 4.16Å; L92-L116 HydrophobicContact CB-CG 4.09Å; L92-L116 CarbonylContact O-C 3.58Å; L92-L116 WeakPolarHBondContact O-CA 3.44Å; F100-L116 HydrophobicContact CB-CD2 4.19Å; F100-L116 HydrophobicContact CD1-CD1 3.55Å; F100-L116 HydrophobicContact CD1-CD2 4.2Å; F100-L116 HydrophobicContact CD2-CD1 4.41Å; F100-L116 HydrophobicContact CD2-CD2 3.57Å; F100-L116 HydrophobicContact CE1-CD1 3.75Å; F100-L116 HydrophobicContact CE2-CD2 3.95Å; F100-L116 HydrophobicContact CG-CD1 3.91Å; F100-L116 HydrophobicContact CG-CD2 3.71Å; F100-L116 HydrophobicContact CZ-CD1 4.28Å; F100-L116 HydrophobicContact CZ-CD2 4.43Å; F104-L116 HydrophobicContact CD1-CD1 4.28Å; F104-L116 HydrophobicContact CE1-CB 4.4Å; F104-L116 HydrophobicContact CE1-CD1 3.74Å; K105-L116 HydrophobicContact CG-CB 4.33Å; L116-E118 HydrophobicContact CD2-CG 4.02Å; L116-L159 HydrophobicContact CD1-CD1 4.41Å; L116-M303 HydrophobicContact CD1-SD 4.35Å
117K96.7Very high96Very high70 Ų7056.8 Ų56.830%0.30427%0.274SS..EExtended strand (participates in β ladder)trans-107.2130.7174.9-177165.1-174.1173.10110.6L92 F93 G94 L119 H131L92-K117 PolarHBondContact O-N 2.83Å; F93-K117 CarbonylContact C-O 3.57Å; F93-K117 VanDerWaalsContact CA-O 3.24Å; F93-K117 WeakPolarHBondContact CA-O 3.42Å; F93-K117 HydrophobicContact CD1-CB 3.89Å; F93-K117 HydrophobicContact CD1-CG 4.35Å; F93-K117 HydrophobicContact CE1-CB 4.08Å; F93-K117 HydrophobicContact CE1-CD 4.2Å; F93-K117 HydrophobicContact CE1-CG 4.44Å; G94-K117 PolarHBondContact N-O 3.5Å; K117-L119 HydrophobicContact CD-CD2 4.47Å; K117-L119 HydrophobicContact CG-CD2 4.41Å; K117-H131 PolarHBondContact NZ-CE1 3.4Å; K117-H131 VanDerWaalsContact NZ-CE1 3.28Å; K117-H131 PolarHBondContact NZ-NE2 3.4Å
118E97Very high96.1Very high78 Ų7855.5 Ų55.536%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-84.9128.1175.5-70.9166.2-151.700110.5G94 K96 F100 K105 L116G94-E118 CarbonylContact O-C 3.6Å; G94-E118 VanDerWaalsContact O-CA 3.31Å; G94-E118 WeakPolarHBondContact O-CA 3.44Å; K96-E118 HydrophobicContact CB-CB 4.13Å; F100-E118 HydrophobicContact CD2-CG 3.86Å; F100-E118 HydrophobicContact CE2-CG 4.11Å; K105-E118 IonicContact NZ-OE1 3.15Å; K105-E118 PolarHBondContact NZ-OE1 3.35Å; L116-E118 HydrophobicContact CD2-CG 4.02Å
119L97.1Very high96.1Very high21 Ų2156.9 Ų56.911%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-129.7169175.8-65.4-179000109.9F93 G94 E95 K96 K117 F121 I132F93-L119 HydrophobicContact CB-CD1 4.29Å; F93-L119 HydrophobicContact CD1-CD1 3.43Å; F93-L119 VanDerWaalsContact CD1-CD1 3.43Å; F93-L119 HydrophobicContact CD1-CG 3.99Å; F93-L119 HydrophobicContact CE1-CD1 4.02Å; F93-L119 HydrophobicContact CG-CD1 4.15Å; G94-L119 PolarHBondContact O-N 3.3Å; E95-L119 CarbonylContact C-O 3.48Å; E95-L119 WeakPolarHBondContact CA-O 3.46Å; K96-L119 WeakPolarHBondContact CB-O 3.35Å; K96-L119 PolarHBondContact N-O 2.97Å; K117-L119 HydrophobicContact CD-CD2 4.47Å; K117-L119 HydrophobicContact CG-CD2 4.41Å; L119-F121 HydrophobicContact CB-CE1 4.23Å; L119-F121 HydrophobicContact CB-CZ 4.21Å; L119-F121 HydrophobicContact CD1-CE1 4.35Å; L119-F121 HydrophobicContact CD1-CZ 4.47Å; L119-I132 HydrophobicContact CD1-CD1 3.93Å; L119-I132 HydrophobicContact CD1-CG1 3.77Å
120S96.8Very high96.2Very high13 Ų1356.7 Ų56.79%0.09127%0.265CS..  trans-108.686.1178.5-156.70000110.6K96 A124 S128K96-S120 WeakPolarHBondContact CE-OG 3.33Å; K96-S120 PolarHBondContact NZ-OG 2.87Å; S120-A124 CarbonylContact O-C 3.56Å; S120-A124 WeakPolarHBondContact O-CA 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 3.41Å; S120-A124 VanDerWaalsContact O-O 3.12Å; S120-S128 PolarHBondContact N-OG 3.41Å; S120-S128 PolarHBondContact O-OG 3.04Å; S120-S128 VanDerWaalsContact O-OG 3.14Å
121F96.6Very high96.3Very high1 Ų155 Ų550%0.00426%0.257CS..Hα-helixtrans-68.1-46.1171.5-53.2-57.5000111.1F93 E95 L119 R123 A124 A125 I132 I153 T157 V160F93-F121 HydrophobicContact CB-CZ 3.79Å; E95-F121 HydrophobicContact CB-CD2 4.05Å; E95-F121 VanDerWaalsContact OE2-CA 3.28Å; E95-F121 WeakPolarHBondContact OE2-CA 3.21Å; E95-F121 VanDerWaalsContact OE2-CB 3.29Å; E95-F121 WeakPolarHBondContact OE2-CB 3.35Å; E95-F121 PolarHBondContact OE2-N 3.02Å; L119-F121 HydrophobicContact CB-CE1 4.23Å; L119-F121 HydrophobicContact CB-CZ 4.21Å; L119-F121 HydrophobicContact CD1-CE1 4.35Å; L119-F121 HydrophobicContact CD1-CZ 4.47Å; F121-R123 VanDerWaalsContact C-N 3.29Å; F121-R123 PolarHBondContact O-N 2.88Å; F121-A124 PolarHBondContact O-N 3.38Å; F121-A125 WeakPolarHBondContact O-CB 3.38Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-A125 VanDerWaalsContact O-N 3.12Å; F121-I132 HydrophobicContact CE1-CD1 4.14Å; F121-I132 HydrophobicContact CZ-CD1 4.47Å; F121-I153 HydrophobicContact CD1-CD1 3.82Å; F121-I153 HydrophobicContact CE1-CD1 3.84Å; F121-T157 HydrophobicContact CB-CG2 4.36Å; F121-T157 HydrophobicContact CD1-CG2 4.29Å; F121-T157 HydrophobicContact CD2-CG2 3.92Å; F121-T157 HydrophobicContact CE2-CG2 4.23Å; F121-T157 HydrophobicContact CG-CG2 3.94Å; F121-V160 HydrophobicContact CE1-CG2 4.28Å; F121-V160 HydrophobicContact CE2-CG2 4.27Å; F121-V160 HydrophobicContact CZ-CB 4.42Å; F121-V160 HydrophobicContact CZ-CG2 3.84Å
122I94.7Very high96.4Very high65 Ų6553.7 Ų53.733%0.33325%0.252SS..Hα-helixtrans-54.1-43.4-178.3-65.8172000112.4E95E95-I122 HydrophobicContact CG-CD1 3.7Å; E95-I122 HydrophobicContact CG-CG1 4.02Å; E95-I122 PolarHBondContact OE2-N 3.46Å
123R96.5Very high96.5Very high205 Ų20554 Ų5477%0.77425%0.254SS*.Hα-helixtrans-104.3-19.3-174.2-59.3-173.2-177.3-179.40.9114F121F121-R123 VanDerWaalsContact C-N 3.29Å; F121-R123 PolarHBondContact O-N 2.88Å
124A96.5Very high96.7Very high35 Ų3553.8 Ų53.829%0.28926%0.26SS..Hα-helixtrans-152.349.9-168.400000111.8S120 F121 E126 E127 S128S120-A124 CarbonylContact O-C 3.56Å; S120-A124 WeakPolarHBondContact O-CA 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 3.41Å; S120-A124 VanDerWaalsContact O-O 3.12Å; F121-A124 PolarHBondContact O-N 3.38Å; A124-E126 PolarHBondContact O-N 2.94Å; A124-E127 HydrophobicContact CB-CB 4.28Å; A124-E127 PolarHBondContact O-N 2.76Å; A124-S128 WeakPolarHBondContact O-CB 3.2Å; A124-S128 PolarHBondContact O-N 2.8Å; A124-S128 PolarHBondContact O-OG 3.39Å
125A96.7Very high96.8Very high18 Ų1855.2 Ų55.215%0.14927%0.265CS..Hα-helixtrans-51.9-51.2178.800000112.5F121 E127 S128 R129 I153F121-A125 WeakPolarHBondContact O-CB 3.38Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-A125 VanDerWaalsContact O-N 3.12Å; A125-E127 PolarHBondContact O-N 3.12Å; A125-S128 WeakPolarHBondContact O-CB 3.37Å; A125-S128 PolarHBondContact O-N 3.12Å; A125-R129 WeakPolarHBondContact O-CB 3.31Å; A125-R129 PolarHBondContact O-N 3.36Å; A125-I153 WeakPolarHBondContact O-CD1 3.41Å
126E96.8Very high96.9Very high75 Ų7550.5 Ų50.535%0.3524%0.243SC..Hα-helixtrans-64.1-38.8-179-76.6-56.7131.100113.8A124 R129 K130A124-E126 PolarHBondContact O-N 2.94Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-R129 IonicContact OE1-NE 2.92Å; E126-R129 IonicContact OE2-CZ 3.16Å; E126-R129 IonicContact OE2-NE 2.71Å; E126-R129 PolarHBondContact OE2-NE 2.98Å; E126-R129 IonicContact OE2-NH2 2.81Å; E126-R129 PolarHBondContact OE2-NH2 2.85Å; E126-K130 WeakPolarHBondContact O-CG 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å
127E97.1Very high96.9Very high114 Ų11451.2 Ų51.253%0.53325%0.249SC..Hα-helixtrans-69.6-37176.3-65.5-55.6120.100111.5A124 A125 R129 K130 H131A124-E127 HydrophobicContact CB-CB 4.28Å; A124-E127 PolarHBondContact O-N 2.76Å; A125-E127 PolarHBondContact O-N 3.12Å; E127-R129 VanDerWaalsContact C-N 3.33Å; E127-K130 IonicContact OE1-NZ 2.83Å; E127-K130 PolarHBondContact OE1-NZ 3.32Å; E127-H131 VanDerWaalsContact O-CB 3.3Å; E127-H131 WeakPolarHBondContact O-CB 3.42Å; E127-H131 PolarHBondContact O-N 2.67Å
128S97.7Very high96.9Very high7 Ų756.3 Ų56.35%0.04927%0.271CS..Hα-helixtrans-63.2-40.3172.3-580000111.2S120 A124 A125 H131 I132S120-S128 PolarHBondContact N-OG 3.41Å; S120-S128 PolarHBondContact O-OG 3.04Å; S120-S128 VanDerWaalsContact O-OG 3.14Å; A124-S128 WeakPolarHBondContact O-CB 3.2Å; A124-S128 PolarHBondContact O-N 2.8Å; A124-S128 PolarHBondContact O-OG 3.39Å; A125-S128 WeakPolarHBondContact O-CB 3.37Å; A125-S128 PolarHBondContact O-N 3.12Å; S128-H131 WeakPolarHBondContact O-CB 3.44Å; S128-H131 PolarHBondContact O-N 3.12Å; S128-I132 VanDerWaalsContact O-CG1 3.26Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.9Å
129R97.4Very high96.8Very high30 Ų3057.6 Ų57.611%0.11328%0.275CS..Hα-helixtrans-61.4-52.1176.6-168.5-173.266.787-1.9111.3A125 E126 E127 H131 I132 N133 E146 L148 P149 I153A125-R129 WeakPolarHBondContact O-CB 3.31Å; A125-R129 PolarHBondContact O-N 3.36Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-R129 IonicContact OE1-NE 2.92Å; E126-R129 IonicContact OE2-CZ 3.16Å; E126-R129 IonicContact OE2-NE 2.71Å; E126-R129 PolarHBondContact OE2-NE 2.98Å; E126-R129 IonicContact OE2-NH2 2.81Å; E126-R129 PolarHBondContact OE2-NH2 2.85Å; E127-R129 VanDerWaalsContact C-N 3.33Å; R129-H131 VanDerWaalsContact C-N 3.29Å; R129-H131 PolarHBondContact O-N 3.49Å; R129-I132 PolarHBondContact O-N 3.48Å; R129-N133 PolarHBondContact NH1-ND2 2.7Å; R129-N133 PolarHBondContact O-N 3.43Å; R129-E146 IonicContact NH1-OE1 2.75Å; R129-E146 PolarHBondContact NH1-OE1 3.23Å; R129-E146 VanDerWaalsContact NH1-OE1 3.11Å; R129-L148 HydrophobicContact CG-CB 3.73Å; R129-L148 HydrophobicContact CG-CD1 4.37Å; R129-L148 PolarHBondContact NH1-O 2.77Å; R129-P149 VanDerWaalsContact CD-O 3.3Å; R129-P149 WeakPolarHBondContact CD-O 3.26Å; R129-I153 HydrophobicContact CB-CD1 3.67Å; R129-I153 HydrophobicContact CB-CG1 3.96Å; R129-I153 HydrophobicContact CG-CD1 4.3Å; R129-I153 HydrophobicContact CG-CG1 4.3Å
130K97.6Very high96.5Very high98 Ų9856.6 Ų56.643%0.42627%0.27SS..Hα-helixtrans-59.5-40.4176.6-69.6173.4-168.4164.80111.8E126 E127 N133 T134E126-K130 WeakPolarHBondContact O-CG 3.45Å; E126-K130 PolarHBondContact O-N 2.91Å; E127-K130 IonicContact OE1-NZ 2.83Å; E127-K130 PolarHBondContact OE1-NZ 3.32Å; K130-N133 PolarHBondContact O-N 3.26Å; K130-T134 WeakPolarHBondContact O-CB 3.36Å; K130-T134 PolarHBondContact O-N 2.98Å; K130-T134 PolarHBondContact O-OG1 2.95Å
131H97.8Very high96.2Very high72 Ų7261.2 Ų61.233%0.33329%0.29SS..Hα-helixtrans-60.6-46.2176.6-175.879.9000111.8K117 E127 S128 R129 W135K117-H131 PolarHBondContact NZ-CE1 3.4Å; K117-H131 VanDerWaalsContact NZ-CE1 3.28Å; K117-H131 PolarHBondContact NZ-NE2 3.4Å; E127-H131 VanDerWaalsContact O-CB 3.3Å; E127-H131 WeakPolarHBondContact O-CB 3.42Å; E127-H131 PolarHBondContact O-N 2.67Å; S128-H131 WeakPolarHBondContact O-CB 3.44Å; S128-H131 PolarHBondContact O-N 3.12Å; R129-H131 VanDerWaalsContact C-N 3.29Å; R129-H131 PolarHBondContact O-N 3.49Å; H131-W135 WeakPolarHBondContact O-CB 3.47Å; H131-W135 PolarHBondContact O-N 3.22Å
132I97.6Very high96Very high0 Ų062.5 Ų62.50%030%0.304CS..Hα-helixtrans-62.2-50.7177.5-68.3166.7000110.3F93 L119 F121 S128 R129 T134 W135 V136 L148 V162F93-I132 HydrophobicContact CB-CD1 4.22Å; F93-I132 HydrophobicContact CD1-CD1 4.29Å; F93-I132 HydrophobicContact CD1-CG1 3.93Å; F93-I132 HydrophobicContact CD2-CD1 4.02Å; F93-I132 HydrophobicContact CD2-CG1 3.99Å; F93-I132 HydrophobicContact CE1-CG1 3.84Å; F93-I132 HydrophobicContact CE2-CD1 4.42Å; F93-I132 HydrophobicContact CE2-CG1 3.92Å; F93-I132 HydrophobicContact CE2-CG2 4.07Å; F93-I132 HydrophobicContact CG-CD1 3.93Å; F93-I132 HydrophobicContact CG-CG1 3.98Å; F93-I132 HydrophobicContact CZ-CB 4.47Å; F93-I132 HydrophobicContact CZ-CG1 3.82Å; F93-I132 HydrophobicContact CZ-CG2 4.36Å; L119-I132 HydrophobicContact CD1-CD1 3.93Å; L119-I132 HydrophobicContact CD1-CG1 3.77Å; F121-I132 HydrophobicContact CE1-CD1 4.14Å; F121-I132 HydrophobicContact CZ-CD1 4.47Å; S128-I132 VanDerWaalsContact O-CG1 3.26Å; S128-I132 WeakPolarHBondContact O-CG1 3.36Å; S128-I132 PolarHBondContact O-N 2.9Å; R129-I132 PolarHBondContact O-N 3.48Å; I132-T134 PolarHBondContact O-N 2.94Å; I132-W135 PolarHBondContact O-N 3.04Å; I132-W135 VanDerWaalsContact O-N 3.15Å; I132-V136 HydrophobicContact CG2-CG2 4.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.27Å; I132-V136 PolarHBondContact O-N 3.27Å; I132-L148 HydrophobicContact CB-CD1 4Å; I132-L148 HydrophobicContact CD1-CD1 3.71Å; I132-L148 HydrophobicContact CG1-CD1 4.46Å; I132-L148 HydrophobicContact CG2-CD1 3.71Å; I132-L148 HydrophobicContact CG2-CG 4.32Å; I132-V162 HydrophobicContact CG2-CG2 3.78Å
133N97.8Very high95.9Very high13 Ų1363 Ų637%0.0730%0.303CS..Hα-helixtrans-58.8-45.3179.1-77.2-16.2000112.1R129 K130 W135 V136 S137 L147 L148R129-N133 PolarHBondContact NH1-ND2 2.7Å; R129-N133 PolarHBondContact O-N 3.43Å; K130-N133 PolarHBondContact O-N 3.26Å; N133-W135 VanDerWaalsContact C-N 3.31Å; N133-W135 PolarHBondContact O-N 3.2Å; N133-V136 PolarHBondContact O-N 2.99Å; N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 3.15Å; N133-L147 PolarHBondContact OD1-N 2.77Å; N133-L148 PolarHBondContact ND2-O 3.08Å; N133-L148 PolarHBondContact OD1-N 3.08Å
134T97.8Very high95.6Very high98 Ų9853.2 Ų53.260%0.60127%0.267SS*.Hα-helixtrans-60.4-41.8176.3-560000111.7K130 I132 K138K130-T134 WeakPolarHBondContact O-CB 3.36Å; K130-T134 PolarHBondContact O-N 2.98Å; K130-T134 PolarHBondContact O-OG1 2.95Å; I132-T134 PolarHBondContact O-N 2.94Å; T134-K138 WeakPolarHBondContact O-CB 3.44Å; T134-K138 PolarHBondContact O-N 2.98Å; T134-K138 VanDerWaalsContact O-N 3.07Å
135W97.3Very high95.4Very high33 Ų3358.3 Ų58.313%0.12529%0.285CS..Hα-helixtrans-66.5-43177.8172.480.9000112.2A89 R91 F93 H131 I132 N133 K138 K139 V162A89-W135 HydrophobicContact CB-CH2 3.85Å; A89-W135 HydrophobicContact CB-CZ3 4Å; R91-W135 HydrophobicContact CB-CH2 3.26Å; R91-W135 HydrophobicContact CB-CZ2 3.77Å; R91-W135 HydrophobicContact CB-CZ3 3.83Å; R91-W135 HydrophobicContact CG-CH2 4.25Å; R91-W135 HydrophobicContact CG-CZ2 4.41Å; F93-W135 HydrophobicContact CE2-CE3 4.08Å; F93-W135 AromaticContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CE2-CZ3 3.98Å; F93-W135 HydrophobicContact CZ-CD2 4.11Å; F93-W135 AromaticContact CZ-CE3 3.63Å; F93-W135 HydrophobicContact CZ-CE3 3.63Å; F93-W135 AromaticContact CZ-CZ3 3.93Å; F93-W135 HydrophobicContact CZ-CZ3 3.93Å; H131-W135 WeakPolarHBondContact O-CB 3.47Å; H131-W135 PolarHBondContact O-N 3.22Å; I132-W135 PolarHBondContact O-N 3.04Å; I132-W135 VanDerWaalsContact O-N 3.15Å; N133-W135 VanDerWaalsContact C-N 3.31Å; N133-W135 PolarHBondContact O-N 3.2Å; W135-K138 PolarHBondContact O-N 2.65Å; W135-K139 HydrophobicContact CD2-CG 4.36Å; W135-K139 HydrophobicContact CZ2-CG 4.09Å; W135-K139 WeakPolarHBondContact O-CB 3.5Å; W135-K139 WeakPolarHBondContact O-CG 3.3Å; W135-K139 PolarHBondContact O-N 3.17Å; W135-V162 HydrophobicContact CZ3-CG1 3.83Å
136V96.4Very high95.2Very high0 Ų062.3 Ų62.30%030%0.3CS..Hα-helixtrans-63.5-48.1176.8173.60000110.9I132 N133 K138 K139 T140 I144 L147 V162 A164I132-V136 HydrophobicContact CG2-CG2 4.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.27Å; I132-V136 PolarHBondContact O-N 3.27Å; N133-V136 PolarHBondContact O-N 2.99Å; V136-K138 VanDerWaalsContact C-N 3.33Å; V136-K138 PolarHBondContact O-N 3.16Å; V136-K139 PolarHBondContact O-N 3.25Å; V136-T140 HydrophobicContact CG1-CG2 4.26Å; V136-T140 WeakPolarHBondContact O-CB 3.42Å; V136-T140 WeakPolarHBondContact O-CG2 3.37Å; V136-T140 PolarHBondContact O-N 3.37Å; V136-T140 PolarHBondContact O-OG1 2.71Å; V136-I144 HydrophobicContact CG1-CB 4.03Å; V136-I144 HydrophobicContact CG1-CG2 3.7Å; V136-L147 HydrophobicContact CG1-CB 4.33Å; V136-L147 HydrophobicContact CG2-CB 4.41Å; V136-L147 HydrophobicContact CG2-CD2 3.75Å; V136-V162 HydrophobicContact CG2-CG1 3.73Å; V136-A164 HydrophobicContact CG1-CB 3.55Å
137S96.2Very high95.1Very high30 Ų3059.1 Ų59.121%0.2129%0.285CS..Hα-helixtrans-54.2-49.8176.6178.50000111.1N133 K139 T140 E141 G142 I144N133-S137 WeakPolarHBondContact O-CB 3.32Å; N133-S137 PolarHBondContact O-N 3.15Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.41Å; S137-T140 CarbonylContact O-C 3.59Å; S137-T140 PolarHBondContact O-N 2.99Å; S137-T140 PolarHBondContact O-OG1 3.39Å; S137-E141 PolarHBondContact O-N 2.9Å; S137-G142 PolarHBondContact O-N 2.83Å; S137-I144 WeakPolarHBondContact CA-O 3.4Å; S137-I144 PolarHBondContact N-O 2.94Å
138K96.7Very high94.9Very high177 Ų17753.7 Ų53.777%0.7726%0.26SS*.Hα-helixtrans-59.8-40.9176.1-177.5174.9-179.9174.80112.9T134 W135 V136 T140T134-K138 WeakPolarHBondContact O-CB 3.44Å; T134-K138 PolarHBondContact O-N 2.98Å; T134-K138 VanDerWaalsContact O-N 3.07Å; W135-K138 PolarHBondContact O-N 2.65Å; V136-K138 VanDerWaalsContact C-N 3.33Å; V136-K138 PolarHBondContact O-N 3.16Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å
139K93.2Very high94.8Very high104 Ų10456.7 Ų56.745%0.45228%0.279SS..Hα-helixtrans-73.5-19.2-178.7-74.9-69.4-174174.80113.3A89 W135 V136 S137A89-K139 HydrophobicContact CB-CB 3.6Å; A89-K139 HydrophobicContact CB-CG 4.27Å; W135-K139 HydrophobicContact CD2-CG 4.36Å; W135-K139 HydrophobicContact CZ2-CG 4.09Å; W135-K139 WeakPolarHBondContact O-CB 3.5Å; W135-K139 WeakPolarHBondContact O-CG 3.3Å; W135-K139 PolarHBondContact O-N 3.17Å; V136-K139 PolarHBondContact O-N 3.25Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.41Å
140T91.2Very high94.6Very high0 Ų057.5 Ų57.50%030%0.297CS..THydrogen-bonded Turntrans-111.320.8-176.558.90000112.7A89 V136 S137 K138 G142 K143 I144 A164A89-T140 HydrophobicContact CB-CG2 4.34Å; V136-T140 HydrophobicContact CG1-CG2 4.26Å; V136-T140 WeakPolarHBondContact O-CB 3.42Å; V136-T140 WeakPolarHBondContact O-CG2 3.37Å; V136-T140 PolarHBondContact O-N 3.37Å; V136-T140 PolarHBondContact O-OG1 2.71Å; S137-T140 CarbonylContact O-C 3.59Å; S137-T140 PolarHBondContact O-N 2.99Å; S137-T140 PolarHBondContact O-OG1 3.39Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.39Å; T140-G142 PolarHBondContact O-N 2.83Å; T140-K143 VanDerWaalsContact O-CB 3.3Å; T140-K143 WeakPolarHBondContact O-CB 3.39Å; T140-K143 WeakPolarHBondContact O-CG 3.28Å; T140-K143 PolarHBondContact O-N 3.05Å; T140-I144 HydrophobicContact CG2-CB 4.27Å; T140-I144 HydrophobicContact CG2-CD1 4.11Å; T140-I144 HydrophobicContact CG2-CG1 4.44Å; T140-I144 PolarHBondContact OG1-N 2.94Å; T140-A164 HydrophobicContact CG2-CB 4.25Å
141E90.8Very high94.2Very high111 Ų11157.8 Ų57.852%0.51931%0.311SS..THydrogen-bonded Turntrans57.632.1179.5-51.6-79.1-175.900112.9R87 S137 K143 Y166R87-E141 HydrophobicContact CG-CG 4.03Å; R87-E141 IonicContact CZ-OE1 3.21Å; R87-E141 IonicContact NE-OE1 2.71Å; R87-E141 PolarHBondContact NE-OE1 2.85Å; R87-E141 IonicContact NH2-OE1 2.79Å; S137-E141 PolarHBondContact O-N 2.9Å; E141-K143 PolarHBondContact O-N 3.03Å; E141-Y166 HydrophobicContact CB-CE1 4.49Å
142G93.1Very high93.9Very high28 Ų2855.3 Ų55.329%0.28930%0.303SS..THydrogen-bonded Turntrans76.14.2-176.900000114.7S137 T140 E145S137-G142 PolarHBondContact O-N 2.83Å; T140-G142 PolarHBondContact O-N 2.83Å; G142-E145 WeakPolarHBondContact O-CG 3.44Å
143K91.5Very high93.8Very high74 Ų7455.5 Ų55.532%0.32230%0.304SS..SBendtrans-74.1-28.5-178.7-61-60.4-178.8177.90113.5T140 E141 Y166 Q275 F319T140-K143 VanDerWaalsContact O-CB 3.3Å; T140-K143 WeakPolarHBondContact O-CB 3.39Å; T140-K143 WeakPolarHBondContact O-CG 3.28Å; T140-K143 PolarHBondContact O-N 3.05Å; E141-K143 PolarHBondContact O-N 3.03Å; K143-Y166 HydrophobicContact CB-CD1 4.4Å; K143-Y166 HydrophobicContact CB-CD2 4.42Å; K143-Y166 HydrophobicContact CB-CG 4.22Å; K143-Y166 HydrophobicContact CG-CD1 3.79Å; K143-Y166 HydrophobicContact CG-CD2 4.09Å; K143-Y166 HydrophobicContact CG-CE1 3.72Å; K143-Y166 HydrophobicContact CG-CE2 4.05Å; K143-Y166 HydrophobicContact CG-CG 3.97Å; K143-Q275 PolarHBondContact O-OE1 2.83Å; K143-F319 HydrophobicContact CB-CG 4.44Å
144I90.6Very high93.7Very high0 Ų058.5 Ų58.50%032%0.319CS..  trans-119.689.6177.8-60.6173.1000108.4V136 S137 T140 L147 A164 K317 F319V136-I144 HydrophobicContact CG1-CB 4.03Å; V136-I144 HydrophobicContact CG1-CG2 3.7Å; S137-I144 WeakPolarHBondContact CA-O 3.4Å; S137-I144 PolarHBondContact N-O 2.94Å; T140-I144 HydrophobicContact CG2-CB 4.27Å; T140-I144 HydrophobicContact CG2-CD1 4.11Å; T140-I144 HydrophobicContact CG2-CG1 4.44Å; T140-I144 PolarHBondContact OG1-N 2.94Å; I144-L147 HydrophobicContact CG2-CB 4.43Å; I144-A164 HydrophobicContact CD1-CB 3.88Å; I144-A164 HydrophobicContact CG2-CB 4.48Å; I144-K317 HydrophobicContact CD1-CB 4.34Å; I144-K317 HydrophobicContact CD1-CG 4.05Å; I144-K317 HydrophobicContact CG1-CG 4.31Å; I144-K317 HydrophobicContact CG2-CB 4.33Å; I144-K317 HydrophobicContact CG2-CD 3.59Å; I144-K317 HydrophobicContact CG2-CG 3.9Å; I144-F319 HydrophobicContact CD1-CB 4.46Å; I144-F319 HydrophobicContact CG1-CB 4.48Å
145E92.4Very high93.5Very high143 Ų14356.3 Ų56.367%0.66831%0.312SS*.  trans-80.1-47.3-176.4-61.8-173.4170.200112.9G142G142-E145 WeakPolarHBondContact O-CG 3.44Å
146E93.4Very high93.3Very high101 Ų10162.3 Ų62.347%0.47234%0.341SS..  trans-117.1107.7177.1-171.8165.5-11900110.3R129 K317R129-E146 IonicContact NH1-OE1 2.75Å; R129-E146 PolarHBondContact NH1-OE1 3.23Å; R129-E146 VanDerWaalsContact NH1-OE1 3.11Å; E146-K317 PolarHBondContact O-NZ 3.19Å
147L92.9Very high93.2Very high8 Ų862.7 Ų62.74%0.04234%0.343CS..SBendtrans-94.3-43.3172.4-179.973.6000111.1N133 V136 I144 P149 V162 A164 V315 K317N133-L147 PolarHBondContact OD1-N 2.77Å; V136-L147 HydrophobicContact CG1-CB 4.33Å; V136-L147 HydrophobicContact CG2-CB 4.41Å; V136-L147 HydrophobicContact CG2-CD2 3.75Å; I144-L147 HydrophobicContact CG2-CB 4.43Å; L147-P149 WeakPolarHBondContact O-CD 3.48Å; L147-V162 HydrophobicContact CD2-CB 4.09Å; L147-V162 HydrophobicContact CD2-CG1 3.26Å; L147-V162 HydrophobicContact CD2-CG2 3.9Å; L147-A164 HydrophobicContact CD1-CB 4.38Å; L147-V315 HydrophobicContact CD1-CB 4.39Å; L147-V315 HydrophobicContact CD1-CG2 4.36Å; L147-V315 HydrophobicContact CD2-CG2 3.68Å; L147-V315 HydrophobicContact CG-CB 4.33Å; L147-V315 HydrophobicContact CG-CG2 3.88Å; L147-K317 HydrophobicContact CD1-CB 3.25Å; L147-K317 HydrophobicContact CD1-CD 4.01Å; L147-K317 HydrophobicContact CD1-CG 4.24Å
148L94.6Very high93.2Very high0 Ų064.7 Ų64.70%035%0.346CS..SBendtrans-103.8105.7-179.9-71.1-179.1000109.3R129 I132 N133 S152 I153 K313 V315R129-L148 HydrophobicContact CG-CB 3.73Å; R129-L148 HydrophobicContact CG-CD1 4.37Å; R129-L148 PolarHBondContact NH1-O 2.77Å; I132-L148 HydrophobicContact CB-CD1 4Å; I132-L148 HydrophobicContact CD1-CD1 3.71Å; I132-L148 HydrophobicContact CG1-CD1 4.46Å; I132-L148 HydrophobicContact CG2-CD1 3.71Å; I132-L148 HydrophobicContact CG2-CG 4.32Å; N133-L148 PolarHBondContact ND2-O 3.08Å; N133-L148 PolarHBondContact OD1-N 3.08Å; L148-S152 WeakPolarHBondContact CB-OG 3.32Å; L148-I153 HydrophobicContact CD1-CD1 4.33Å; L148-I153 HydrophobicContact CD1-CG2 4.2Å; L148-K313 HydrophobicContact CD2-CD 3.96Å; L148-V315 HydrophobicContact CD2-CB 4.43Å; L148-V315 HydrophobicContact CD2-CG1 3.9Å; L148-V315 HydrophobicContact CD2-CG2 3.75Å
149P94Very high93.2Very high70 Ų7056.3 Ų56.346%0.45531%0.31SS..  trans-66.1168.1177.327.1-32.6000111.3R129 L147 S151 S152R129-P149 VanDerWaalsContact CD-O 3.3Å; R129-P149 WeakPolarHBondContact CD-O 3.26Å; L147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-S151 PolarHBondContact O-N 3.05Å; P149-S152 WeakPolarHBondContact O-CB 3.43Å; P149-S152 PolarHBondContact O-N 3.36Å; P149-S152 VanDerWaalsContact O-N 3.15Å; P149-S152 PolarHBondContact O-OG 3.11Å
150G92.9Very high93.4Very high48 Ų4851.3 Ų51.350%0.49529%0.288SS..THydrogen-bonded Turntrans-51.1139.6176.600000112.3S152G150-S152 PolarHBondContact O-N 3.02Å
151S89.8Confident93.7Very high103 Ų10351.3 Ų51.372%0.7229%0.288SS*.THydrogen-bonded Turntrans6112.5179.8-50.90000115.6P149 I153P149-S151 PolarHBondContact O-N 3.05Å; S151-I153 PolarHBondContact O-N 2.93Å
152S92.2Very high94Very high21 Ų2146 Ų4615%0.14726%0.263CS..SBendtrans-72.4-16.9179.874.90000114.2L148 P149 G150 K313L148-S152 WeakPolarHBondContact CB-OG 3.32Å; P149-S152 WeakPolarHBondContact O-CB 3.43Å; P149-S152 PolarHBondContact O-N 3.36Å; P149-S152 VanDerWaalsContact O-N 3.15Å; P149-S152 PolarHBondContact O-OG 3.11Å; G150-S152 PolarHBondContact O-N 3.02Å; S152-K313 WeakPolarHBondContact O-CD 3.4Å; S152-K313 WeakPolarHBondContact O-CE 3.05Å; S152-K313 PolarHBondContact O-NZ 3.16Å
153I95Very high94.2Very high4 Ų444.7 Ų44.72%0.02125%0.25CC..SBendtrans-134.4149.217562.4175.1000108.6F121 A125 R129 L148 S151 T157 V160 K313F121-I153 HydrophobicContact CD1-CD1 3.82Å; F121-I153 HydrophobicContact CE1-CD1 3.84Å; A125-I153 WeakPolarHBondContact O-CD1 3.41Å; R129-I153 HydrophobicContact CB-CD1 3.67Å; R129-I153 HydrophobicContact CB-CG1 3.96Å; R129-I153 HydrophobicContact CG-CD1 4.3Å; R129-I153 HydrophobicContact CG-CG1 4.3Å; L148-I153 HydrophobicContact CD1-CD1 4.33Å; L148-I153 HydrophobicContact CD1-CG2 4.2Å; S151-I153 PolarHBondContact O-N 2.93Å; I153-T157 HydrophobicContact CB-CG2 4.3Å; I153-T157 HydrophobicContact CG2-CG2 4.24Å; I153-V160 HydrophobicContact CG2-CG2 4.06Å; I153-K313 HydrophobicContact CG2-CD 4.21Å
154D95Very high94.4Very high75 Ų7541.2 Ų41.240%0.40123%0.234SC..  trans-146.2-169.2-169.858.625000111.6E156 T157D154-E156 PolarHBondContact O-N 3.41Å; D154-E156 WeakPolarHBondContact OD1-CA 3.49Å; D154-E156 PolarHBondContact OD1-N 3.4Å; D154-T157 PolarHBondContact N-OG1 3.48Å; D154-T157 WeakPolarHBondContact O-CB 3.38Å; D154-T157 PolarHBondContact O-N 2.8Å; D154-T157 PolarHBondContact O-OG1 3.14Å; D154-T157 PolarHBondContact OD1-N 3.02Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å
155A94.4Very high94.6Very high53 Ų5341.5 Ų41.544%0.43824%0.236SC..SBendtrans-73.5-13.4179.700000113.9R158A155-R158 PolarHBondContact O-NH1 3.47Å
156E92.9Very high94.7Very high158 Ų15835 Ų3574%0.73821%0.205SC*.SBendtrans-88.9-19.9176.7-60.9-169.5167.500111.7D154 R158D154-E156 PolarHBondContact O-N 3.41Å; D154-E156 WeakPolarHBondContact OD1-CA 3.49Å; D154-E156 PolarHBondContact OD1-N 3.4Å; E156-R158 PolarHBondContact O-N 3.3Å; E156-R158 PolarHBondContact O-NH1 3Å; E156-R158 VanDerWaalsContact O-NH1 3.16Å
157T95.3Very high94.7Very high8 Ų830.2 Ų30.25%0.04918%0.183CC..  trans-56.5129.9175.8-57.50000111.5F121 I153 D154 V160F121-T157 HydrophobicContact CB-CG2 4.36Å; F121-T157 HydrophobicContact CD1-CG2 4.29Å; F121-T157 HydrophobicContact CD2-CG2 3.92Å; F121-T157 HydrophobicContact CE2-CG2 4.23Å; F121-T157 HydrophobicContact CG-CG2 3.94Å; I153-T157 HydrophobicContact CB-CG2 4.3Å; I153-T157 HydrophobicContact CG2-CG2 4.24Å; D154-T157 PolarHBondContact N-OG1 3.48Å; D154-T157 WeakPolarHBondContact O-CB 3.38Å; D154-T157 PolarHBondContact O-N 2.8Å; D154-T157 PolarHBondContact O-OG1 3.14Å; D154-T157 PolarHBondContact OD1-N 3.02Å; D154-T157 PolarHBondContact OD1-OG1 2.85Å; T157-V160 HydrophobicContact CG2-CG2 3.38Å
158R94.7Very high94.6Very high73 Ų7331.8 Ų31.828%0.27519%0.189SC..  trans-120.8-37.4178.5-64.4-64.3177.3-91.2-3.1113.1G94 E95 A155 E156 L309 S312G94-R158 CarbonylContact C-O 2.99Å; G94-R158 WeakPolarHBondContact CA-O 3.32Å; E95-R158 PolarHBondContact N-O 2.9Å; A155-R158 PolarHBondContact O-NH1 3.47Å; E156-R158 PolarHBondContact O-N 3.3Å; E156-R158 PolarHBondContact O-NH1 3Å; E156-R158 VanDerWaalsContact O-NH1 3.16Å; R158-L309 HydrophobicContact CB-CD1 3.99Å; R158-S312 PolarHBondContact N-OG 3.35Å
159L97.4Very high94.4Very high0 Ų031.9 Ų31.90%019%0.191CC..EExtended strand (participates in β ladder)trans-143.5126.2-179.6-170.669000110.5L92 F93 F100 L116 L300 M303 L309 C310 L311 S312 K313L92-L159 HydrophobicContact CD2-CD1 4.1Å; L92-L159 HydrophobicContact CD2-CD2 4.39Å; L92-L159 HydrophobicContact CD2-CG 4.21Å; F93-L159 CarbonylContact O-C 3.58Å; F93-L159 WeakPolarHBondContact O-CA 3.28Å; F100-L159 HydrophobicContact CE1-CD1 4.32Å; F100-L159 HydrophobicContact CZ-CD1 4.46Å; L116-L159 HydrophobicContact CD1-CD1 4.41Å; L159-L300 HydrophobicContact CD2-CD1 3.96Å; L159-M303 HydrophobicContact CD1-SD 4.01Å; L159-M303 HydrophobicContact CD2-CE 3.89Å; L159-M303 HydrophobicContact CD2-SD 3.59Å; L159-M303 VanDerWaalsContact CD2-SD 3.59Å; L159-M303 HydrophobicContact CG-SD 4.47Å; L159-L309 HydrophobicContact CB-CD1 4.08Å; L159-C310 VanDerWaalsContact CB-O 3.29Å; L159-C310 WeakPolarHBondContact CB-O 3.32Å; L159-L311 HydrophobicContact CD2-CD1 4.15Å; L159-L311 HydrophobicContact CG-CD1 4.22Å; L159-S312 PolarHBondContact N-OG 3.46Å; L159-S312 WeakPolarHBondContact O-CB 3.42Å; L159-S312 PolarHBondContact O-N 2.96Å; L159-K313 PolarHBondContact O-N 2.98Å
160V97.7Very high94.3Very high0 Ų032.2 Ų32.20%019%0.185CC..EExtended strand (participates in β ladder)trans-119.5120.5177-175.70000108.6F93 F121 I153 T157 V162 K313F93-V160 HydrophobicContact CB-CB 4.35Å; F93-V160 PolarHBondContact N-O 2.63Å; F93-V160 PolarHBondContact O-N 2.93Å; F121-V160 HydrophobicContact CE1-CG2 4.28Å; F121-V160 HydrophobicContact CE2-CG2 4.27Å; F121-V160 HydrophobicContact CZ-CB 4.42Å; F121-V160 HydrophobicContact CZ-CG2 3.84Å; I153-V160 HydrophobicContact CG2-CG2 4.06Å; T157-V160 HydrophobicContact CG2-CG2 3.38Å; V160-V162 HydrophobicContact CG1-CG2 3.97Å; V160-K313 WeakPolarHBondContact CA-O 3.31Å; V160-K313 HydrophobicContact CG1-CB 4.3Å; V160-K313 HydrophobicContact CG2-CB 4.44Å
161L97.9Very high94.5Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-90.5122.8167.4-179.961.6000108.8A38 L39 M41 V42 L92 L311 K313 F314 V315A38-L161 HydrophobicContact CB-CD1 4.08Å; A38-L161 HydrophobicContact CB-CD2 3.89Å; A38-L161 HydrophobicContact CB-CG 4.24Å; L39-L161 HydrophobicContact CD2-CD2 4.36Å; M41-L161 HydrophobicContact CE-CD1 3.63Å; V42-L161 HydrophobicContact CG2-CD2 3.94Å; L92-L161 HydrophobicContact CD2-CB 3.96Å; L92-L161 HydrophobicContact CD2-CD1 3.64Å; L92-L161 HydrophobicContact CD2-CG 4.37Å; L92-L161 HydrophobicContact CG-CD1 3.98Å; L161-L311 HydrophobicContact CB-CD1 3.73Å; L161-K313 PolarHBondContact N-O 2.86Å; L161-F314 HydrophobicContact CB-CB 4.18Å; L161-F314 HydrophobicContact CB-CD2 3.82Å; L161-F314 HydrophobicContact CB-CG 4.12Å; L161-F314 HydrophobicContact CD2-CD1 4Å; L161-F314 HydrophobicContact CD2-CD2 3.63Å; L161-F314 HydrophobicContact CD2-CE1 4.12Å; L161-F314 HydrophobicContact CD2-CE2 3.77Å; L161-F314 HydrophobicContact CD2-CG 3.79Å; L161-F314 HydrophobicContact CD2-CZ 4.02Å; L161-F314 HydrophobicContact CG-CD2 3.59Å; L161-F314 HydrophobicContact CG-CE2 3.86Å; L161-F314 HydrophobicContact CG-CG 4.14Å; L161-F314 WeakPolarHBondContact O-CA 3.42Å; L161-F314 WeakPolarHBondContact O-CD2 3.16Å; L161-V315 PolarHBondContact O-N 2.82Å; L161-V315 VanDerWaalsContact O-N 3.1Å
162V97.2Very high94.7Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-112124.5176.9163.70000109.1N90 R91 F93 I132 W135 V136 L147 V160 V315N90-V162 WeakPolarHBondContact CA-O 3.21Å; N90-V162 PolarHBondContact OD1-O 2.77Å; R91-V162 PolarHBondContact N-O 3.42Å; R91-V162 PolarHBondContact O-N 3.31Å; F93-V162 HydrophobicContact CD2-CB 4.18Å; F93-V162 HydrophobicContact CD2-CG2 3.78Å; F93-V162 HydrophobicContact CE2-CB 3.87Å; F93-V162 HydrophobicContact CE2-CG1 4.42Å; F93-V162 HydrophobicContact CE2-CG2 3.75Å; I132-V162 HydrophobicContact CG2-CG2 3.78Å; W135-V162 HydrophobicContact CZ3-CG1 3.83Å; V136-V162 HydrophobicContact CG2-CG1 3.73Å; L147-V162 HydrophobicContact CD2-CB 4.09Å; L147-V162 HydrophobicContact CD2-CG1 3.26Å; L147-V162 HydrophobicContact CD2-CG2 3.9Å; V160-V162 HydrophobicContact CG1-CG2 3.97Å; V162-V315 HydrophobicContact CG2-CG2 4.02Å
163N96.8Very high94.8Very high0 Ų028.9 Ų28.90%014%0.144CC..EExtended strand (participates in β ladder)trans-131.4111.8170.8-168.8-98.2000110.5S34 A38 A89 N90 F314 V315 H316 K317S34-N163 WeakPolarHBondContact CB-OD1 3.08Å; S34-N163 PolarHBondContact O-ND2 2.93Å; S34-N163 PolarHBondContact OG-ND2 2.75Å; S34-N163 PolarHBondContact OG-OD1 3.42Å; A38-N163 HydrophobicContact CB-CB 4.16Å; A89-N163 CarbonylContact O-C 3.56Å; A89-N163 WeakPolarHBondContact O-CA 3.5Å; N90-N163 PolarHBondContact OD1-ND2 2.89Å; N163-F314 HydrophobicContact CB-CE2 3.78Å; N163-F314 HydrophobicContact CB-CZ 4.41Å; N163-V315 PolarHBondContact N-O 3.41Å; N163-H316 CarbonylContact O-C 3.52Å; N163-H316 VanDerWaalsContact O-CA 3.25Å; N163-H316 WeakPolarHBondContact O-CA 3.3Å; N163-H316 PolarHBondContact O-ND1 3.14Å; N163-H316 PolarHBondContact OD1-CE1 2.85Å; N163-H316 VanDerWaalsContact OD1-CE1 3.23Å; N163-H316 PolarHBondContact OD1-ND1 3Å; N163-K317 PolarHBondContact O-N 2.82Å
164A96Very high94.8Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-126.8140.7173.600000110.4A89 V136 T140 I144 L147 K317A89-A164 HydrophobicContact CB-CB 4.21Å; A89-A164 PolarHBondContact N-O 2.97Å; A89-A164 PolarHBondContact O-N 3.03Å; V136-A164 HydrophobicContact CG1-CB 3.55Å; T140-A164 HydrophobicContact CG2-CB 4.25Å; I144-A164 HydrophobicContact CD1-CB 3.88Å; I144-A164 HydrophobicContact CG2-CB 4.48Å; L147-A164 HydrophobicContact CD1-CB 4.38Å; A164-K317 CarbonylContact C-O 3.58Å; A164-K317 WeakPolarHBondContact CA-O 3.38Å
165I94.5Very high94.8Very high6 Ų627.6 Ų27.63%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-145.3133.1-174-169.4169.2000111.7L86 R87 K317 S318 F319 F369L86-I165 HydrophobicContact CD1-CD1 4Å; L86-I165 HydrophobicContact CD1-CG1 4.05Å; R87-I165 CarbonylContact O-C 3.6Å; R87-I165 WeakPolarHBondContact O-CA 3.49Å; I165-K317 PolarHBondContact N-O 2.98Å; I165-S318 CarbonylContact O-C 3.35Å; I165-S318 WeakPolarHBondContact O-CA 3.46Å; I165-F319 PolarHBondContact O-N 2.86Å; I165-F369 HydrophobicContact CB-CE1 4.45Å; I165-F369 HydrophobicContact CD1-CE1 3.84Å; I165-F369 HydrophobicContact CD1-CE2 4.5Å; I165-F369 HydrophobicContact CD1-CZ 3.53Å; I165-F369 HydrophobicContact CG1-CE1 3.93Å; I165-F369 HydrophobicContact CG1-CZ 3.73Å; I165-F369 HydrophobicContact CG2-CE1 3.78Å; I165-F369 HydrophobicContact CG2-CZ 4.47Å
166Y93.2Very high94.8Very high8 Ų828.6 Ų28.63%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-122.1128.2178.3163.6-135000109.6L85 L86 R87 E141 K143 K168 F319L85-Y166 HydrophobicContact CD2-CD1 4.37Å; L85-Y166 HydrophobicContact CD2-CE1 3.45Å; L85-Y166 VanDerWaalsContact CD2-CE1 3.45Å; L85-Y166 HydrophobicContact CG-CE1 4.11Å; L86-Y166 WeakPolarHBondContact CA-O 3.45Å; R87-Y166 HydrophobicContact CB-CD1 4.25Å; R87-Y166 HydrophobicContact CG-CD1 4.22Å; R87-Y166 PolarHBondContact N-O 2.91Å; R87-Y166 PolarHBondContact O-N 2.92Å; E141-Y166 HydrophobicContact CB-CE1 4.49Å; K143-Y166 HydrophobicContact CB-CD1 4.4Å; K143-Y166 HydrophobicContact CB-CD2 4.42Å; K143-Y166 HydrophobicContact CB-CG 4.22Å; K143-Y166 HydrophobicContact CG-CD1 3.79Å; K143-Y166 HydrophobicContact CG-CD2 4.09Å; K143-Y166 HydrophobicContact CG-CE1 3.72Å; K143-Y166 HydrophobicContact CG-CE2 4.05Å; K143-Y166 HydrophobicContact CG-CG 3.97Å; Y166-K168 HydrophobicContact CE2-CB 4.01Å; Y166-F319 HydrophobicContact CD2-CB 4.23Å; Y166-F319 AromaticContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CD1 3.45Å; Y166-F319 VanDerWaalsContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CE1 4.2Å; Y166-F319 HydrophobicContact CD2-CG 4.19Å; Y166-F319 AromaticContact CE2-CD1 3.61Å; Y166-F319 HydrophobicContact CE2-CD1 3.61Å; Y166-F319 AromaticContact CE2-CE1 3.89Å; Y166-F319 HydrophobicContact CE2-CE1 3.89Å
167F93.7Very high94.8Very high0 Ų026.9 Ų26.90%013%0.129CC..EExtended strand (participates in β ladder)trans-123.9133.9174.5176.5-101.6000112.1Y84 L85 L86 Y221 L226 F319 V320 E321 I359 F369Y84-F167 HydrophobicContact CD2-CE2 4.06Å; Y84-F167 HydrophobicContact CG-CE2 4.16Å; L85-F167 WeakPolarHBondContact O-CA 3.48Å; L86-F167 HydrophobicContact CD1-CB 4.15Å; L86-F167 HydrophobicContact CD1-CD2 4.07Å; F167-Y221 HydrophobicContact CE1-CE1 4.27Å; F167-Y221 HydrophobicContact CE1-CE2 4.15Å; F167-Y221 AromaticContact CE1-CZ 3.8Å; F167-Y221 HydrophobicContact CZ-CD2 4.36Å; F167-Y221 HydrophobicContact CZ-CE1 4.27Å; F167-Y221 HydrophobicContact CZ-CE2 4.04Å; F167-Y221 AromaticContact CZ-CZ 3.98Å; F167-L226 HydrophobicContact CD2-CD1 4.39Å; F167-L226 HydrophobicContact CE2-CD1 3.34Å; F167-L226 HydrophobicContact CZ-CD1 3.72Å; F167-F319 PolarHBondContact N-O 2.87Å; F167-V320 HydrophobicContact CD1-CG2 3.98Å; F167-V320 WeakPolarHBondContact O-CA 3.49Å; F167-E321 PolarHBondContact O-N 2.73Å; F167-I359 HydrophobicContact CD1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CG2 4.25Å; F167-I359 HydrophobicContact CZ-CD1 4.49Å; F167-I359 HydrophobicContact CZ-CG2 4.17Å; F167-F369 HydrophobicContact CB-CD2 4.4Å; F167-F369 HydrophobicContact CB-CE1 4.25Å; F167-F369 HydrophobicContact CB-CE2 3.56Å; F167-F369 HydrophobicContact CB-CZ 3.47Å; F167-F369 VanDerWaalsContact CB-CZ 3.47Å; F167-F369 HydrophobicContact CD2-CE2 4.12Å; F167-F369 HydrophobicContact CG-CD2 4.44Å; F167-F369 AromaticContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CZ 4.25Å
168K91.7Very high94.9Very high40 Ų4031.7 Ų31.717%0.17416%0.159CC..EExtended strand (participates in β ladder)trans-138.2114164.7-176.5175.7-179.8178.20108.8L85 Y166 E325L85-K168 HydrophobicContact CB-CB 4.25Å; L85-K168 PolarHBondContact N-O 3.37Å; L85-K168 PolarHBondContact O-N 2.84Å; Y166-K168 HydrophobicContact CE2-CB 4.01Å; K168-E325 WeakPolarHBondContact CE-OE2 3.4Å; K168-E325 IonicContact NZ-OE1 3.95Å; K168-E325 PolarHBondContact NZ-OE1 2.96Å; K168-E325 IonicContact NZ-OE2 3.09Å; K168-E325 PolarHBondContact NZ-OE2 3.48Å
169G90Very high94.9Very high3 Ų334.3 Ų34.33%0.03117%0.169CC..  trans-95.7156.8177.700000111.8
170K92.8Very high94.9Very high77 Ų7735.3 Ų35.334%0.33518%0.176SC..  trans-109.9130.4167.7-71-178.1172.8-163.60108.5Y221 A222 E325 G326 T327K170-Y221 CarbonylContact O-C 3.58Å; K170-Y221 WeakPolarHBondContact O-CA 3.5Å; K170-Y221 WeakPolarHBondContact O-CB 3.15Å; K170-Y221 WeakPolarHBondContact O-CD1 3.37Å; K170-A222 HydrophobicContact CB-CB 4.36Å; K170-A222 WeakPolarHBondContact O-CB 3.28Å; K170-A222 PolarHBondContact O-N 2.84Å; K170-E325 WeakPolarHBondContact CA-O 3.33Å; K170-G326 WeakPolarHBondContact CD-O 3.49Å; K170-T327 HydrophobicContact CB-CG2 4.23Å; K170-T327 HydrophobicContact CD-CG2 4.12Å
171W95.3Very high94.9Very high5 Ų542.1 Ų42.12%0.01920%0.201CC..BIsolated β-bridgetrans-62.5149.7179.2-60.2116.8000112.3E173 F175 L219 Y221 L228 L269 V322 N323 E325 T327W171-E173 VanDerWaalsContact C-N 3.3Å; W171-E173 WeakPolarHBondContact CB-O 3.26Å; W171-F175 AromaticContact CD1-CD2 3.74Å; W171-F175 HydrophobicContact CD2-CE2 4.3Å; W171-F175 AromaticContact CE2-CE2 3.84Å; W171-F175 HydrophobicContact CG-CD2 4.4Å; W171-F175 HydrophobicContact CG-CE2 4.42Å; W171-F175 HydrophobicContact CZ2-CE2 4.26Å; W171-F175 AromaticContact NE1-CD2 3.58Å; W171-F175 AromaticContact NE1-CE2 3.67Å; W171-L219 HydrophobicContact CE3-CB 4.31Å; W171-L219 HydrophobicContact CH2-CD1 4.49Å; W171-L219 HydrophobicContact CZ3-CB 3.83Å; W171-Y221 HydrophobicContact CD2-CD1 4.36Å; W171-Y221 HydrophobicContact CD2-CE1 4.17Å; W171-Y221 AromaticContact CE3-CD1 3.77Å; W171-Y221 HydrophobicContact CE3-CD1 3.77Å; W171-Y221 AromaticContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CG 4.37Å; W171-Y221 AromaticContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE2 4.49Å; W171-Y221 AromaticContact CH2-CZ 3.69Å; W171-Y221 HydrophobicContact CZ2-CE1 4.27Å; W171-Y221 AromaticContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD2 4.41Å; W171-Y221 AromaticContact CZ3-CE1 3.45Å; W171-Y221 HydrophobicContact CZ3-CE1 3.45Å; W171-Y221 VanDerWaalsContact CZ3-CE1 3.45Å; W171-Y221 AromaticContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CG 4.39Å; W171-Y221 AromaticContact CZ3-CZ 3.5Å; W171-Y221 VanDerWaalsContact CZ3-CZ 3.5Å; W171-L228 HydrophobicContact CH2-CB 3.99Å; W171-L228 HydrophobicContact CH2-CD2 3.65Å; W171-L228 HydrophobicContact CH2-CG 4.44Å; W171-L228 HydrophobicContact CZ3-CB 3.93Å; W171-L228 HydrophobicContact CZ3-CD2 4.39Å; W171-L269 HydrophobicContact CZ2-CD2 4.44Å; W171-V322 HydrophobicContact CH2-CG1 4.38Å; W171-V322 HydrophobicContact CZ2-CG1 3.79Å; W171-N323 PolarHBondContact NE1-O 3.24Å; W171-E325 VanDerWaalsContact CD1-O 3.3Å; W171-E325 PolarHBondContact N-O 3.35Å; W171-T327 PolarHBondContact O-N 2.92Å
172N95.2Very high94.9Very high37 Ų3748.4 Ų48.420%0.19823%0.231CC..SBendtrans-66.1-39.7165.4-173.279.5000110.7P220 A330N172-P220 HydrophobicContact CB-CB 4.11Å; N172-P220 VanDerWaalsContact CB-O 3.27Å; N172-P220 WeakPolarHBondContact CB-O 3.02Å; N172-P220 PolarHBondContact N-O 2.78Å; N172-A330 WeakPolarHBondContact O-CB 3.5Å
173E94.9Very high94.9Very high59 Ų5949.9 Ų49.928%0.27624%0.238SC..SBendtrans-124.899.1176.1-74.4168.2-119.700107.4W171 Q200 F204W171-E173 VanDerWaalsContact C-N 3.3Å; W171-E173 WeakPolarHBondContact CB-O 3.26Å; E173-Q200 PolarHBondContact O-NE2 2.76Å; E173-F204 HydrophobicContact CB-CE1 4.4Å; E173-F204 HydrophobicContact CB-CZ 4.29Å
174P94.2Very high94.9Very high44 Ų4453 Ų5329%0.28626%0.258SS..PPolyproline II helixtrans-66.4153.8-176.322.4-29.1000113E324P174-E324 WeakPolarHBondContact CB-O 3.32Å
175F95.5Very high95Very high8 Ų853 Ų534%0.03526%0.258CS..PPolyproline II helixtrans-78.1145.2165.6-62.2-99.8000108.7W171 M198 Q200 L219 V267 L269 E324W171-F175 AromaticContact CD1-CD2 3.74Å; W171-F175 HydrophobicContact CD2-CE2 4.3Å; W171-F175 AromaticContact CE2-CE2 3.84Å; W171-F175 HydrophobicContact CG-CD2 4.4Å; W171-F175 HydrophobicContact CG-CE2 4.42Å; W171-F175 HydrophobicContact CZ2-CE2 4.26Å; W171-F175 AromaticContact NE1-CD2 3.58Å; W171-F175 AromaticContact NE1-CE2 3.67Å; F175-M198 HydrophobicContact CB-CB 4.13Å; F175-M198 HydrophobicContact CD1-CB 3.56Å; F175-M198 HydrophobicContact CD2-CB 4.5Å; F175-M198 HydrophobicContact CD2-CE 4.18Å; F175-M198 HydrophobicContact CD2-SD 4.21Å; F175-M198 HydrophobicContact CE1-CB 4.02Å; F175-M198 HydrophobicContact CE2-CE 4.06Å; F175-M198 HydrophobicContact CG-CB 3.82Å; F175-M198 HydrophobicContact CG-SD 4.31Å; F175-M198 HydrophobicContact CZ-CE 4.33Å; F175-Q200 HydrophobicContact CD1-CB 3.94Å; F175-Q200 HydrophobicContact CD1-CG 3.68Å; F175-Q200 HydrophobicContact CE1-CB 4.3Å; F175-Q200 HydrophobicContact CE1-CG 3.58Å; F175-Q200 VanDerWaalsContact CE2-NE2 3.29Å; F175-Q200 HydrophobicContact CG-CG 4.45Å; F175-Q200 HydrophobicContact CZ-CG 4.26Å; F175-L219 HydrophobicContact CZ-CD1 4.4Å; F175-V267 HydrophobicContact CE1-CG1 4.16Å; F175-V267 HydrophobicContact CZ-CG1 4.19Å; F175-L269 HydrophobicContact CZ-CB 4.27Å; F175-L269 HydrophobicContact CZ-CD2 4.38Å; F175-E324 HydrophobicContact CB-CB 3.99Å; F175-E324 HydrophobicContact CB-CG 3.95Å; F175-E324 PolarHBondContact N-O 2.86Å
176D93.9Very high95Very high74 Ų7456.3 Ų56.340%0.39627%0.272SS..PPolyproline II helixtrans-82.5119.5170.4-171.2-29.3000108.7T178 Y179D176-T178 PolarHBondContact O-N 3.4Å; D176-T178 VanDerWaalsContact O-N 3.1Å; D176-T178 WeakPolarHBondContact OD1-CB 3.34Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.33Å; D176-T178 PolarHBondContact OD1-N 3.17Å; D176-T178 PolarHBondContact OD1-OG1 2.82Å; D176-T178 PolarHBondContact OD2-OG1 2.86Å; D176-Y179 HydrophobicContact CB-CD2 3.6Å; D176-Y179 HydrophobicContact CB-CE2 3.97Å; D176-Y179 PolarHBondContact O-N 3.29Å
177E93.7Very high95Very high122 Ų12256.5 Ų56.557%0.5727%0.274SS*.G310 helixtrans-57-25.3179-68.4-176-178.100112.8Y179 T180 E324E177-Y179 VanDerWaalsContact C-N 3.26Å; E177-Y179 PolarHBondContact O-N 2.9Å; E177-T180 WeakPolarHBondContact O-CB 3.25Å; E177-T180 PolarHBondContact O-N 2.75Å; E177-E324 HydrophobicContact CB-CG 4.45Å; E177-E324 HydrophobicContact CG-CB 3.53Å; E177-E324 HydrophobicContact CG-CG 3.73Å
178T95.5Very high94.8Very high110 Ų11060.2 Ų60.268%0.67529%0.293SS*.G310 helixtrans-71.2-20.3178.1670000113.4D176D176-T178 PolarHBondContact O-N 3.4Å; D176-T178 VanDerWaalsContact O-N 3.1Å; D176-T178 WeakPolarHBondContact OD1-CB 3.34Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.33Å; D176-T178 PolarHBondContact OD1-N 3.17Å; D176-T178 PolarHBondContact OD1-OG1 2.82Å; D176-T178 PolarHBondContact OD2-OG1 2.86Å
179Y96.2Very high94.5Very high127 Ų12766.7 Ų66.750%0.49833%0.325SS..G310 helixtrans-92.8-9.8173.9-61.9-50.9000113.3D176 E177 R181 Y199D176-Y179 HydrophobicContact CB-CD2 3.6Å; D176-Y179 HydrophobicContact CB-CE2 3.97Å; D176-Y179 PolarHBondContact O-N 3.29Å; E177-Y179 VanDerWaalsContact C-N 3.26Å; E177-Y179 PolarHBondContact O-N 2.9Å; Y179-R181 PolarHBondContact O-N 2.85Å; Y179-Y199 HydrophobicContact CD2-CD1 4.33Å; Y179-Y199 HydrophobicContact CG-CD1 4.11Å
180T96.9Very high94.4Very high22 Ų2275.8 Ų75.814%0.13537%0.366CS..  trans-66.5125174.4-62.50000109.8E177 Q196 M197 M198 E324E177-T180 WeakPolarHBondContact O-CB 3.25Å; E177-T180 PolarHBondContact O-N 2.75Å; T180-Q196 HydrophobicContact CG2-CB 4.04Å; T180-M197 WeakPolarHBondContact CA-O 3.4Å; T180-M198 HydrophobicContact CG2-CG 4.48Å; T180-E324 WeakPolarHBondContact CB-OE1 3.13Å; T180-E324 WeakPolarHBondContact CG2-OE1 2.97Å; T180-E324 WeakPolarHBondContact OG1-CG 3.38Å; T180-E324 PolarHBondContact OG1-OE1 3.28Å
181R97.5Very high94.4Very high143 Ų14375.5 Ų75.554%0.5437%0.366SS..EExtended strand (participates in β ladder)trans-141156.3-177.561.8-177.2178.3-161.8-5.4112.1Y179 M183 M197Y179-R181 PolarHBondContact O-N 2.85Å; R181-M183 HydrophobicContact CG-CG 4.15Å; R181-M183 HydrophobicContact CG-SD 4.48Å; R181-M183 PolarHBondContact O-N 3.15Å; R181-M197 PolarHBondContact N-O 3.25Å; R181-M197 VanDerWaalsContact N-O 3.09Å; R181-M197 WeakPolarHBondContact O-CB 3.37Å; R181-M197 PolarHBondContact O-N 3.29Å
182E98.1Very high94.4Very high132 Ų13281.5 Ų81.562%0.61739%0.394SS*.EExtended strand (participates in β ladder)trans-66.5127.5172.9-168.7172.495.600110.6P194 V195E182-P194 VanDerWaalsContact CD-CB 3.4Å; E182-P194 HydrophobicContact CG-CB 3.51Å; E182-V195 CarbonylContact C-O 3.11Å; E182-V195 WeakPolarHBondContact CA-O 3.48Å
183M97.7Very high94.4Very high30 Ų3085 Ų8515%0.14841%0.405CS..EExtended strand (participates in β ladder)trans-136.1152.7174.4-69.9-169.157.400110.5R181 V195 M197 L268R181-M183 HydrophobicContact CG-CG 4.15Å; R181-M183 HydrophobicContact CG-SD 4.48Å; R181-M183 PolarHBondContact O-N 3.15Å; M183-V195 PolarHBondContact N-O 2.92Å; M183-V195 PolarHBondContact O-N 2.95Å; M183-M197 HydrophobicContact CB-CB 3.88Å; M183-M197 HydrophobicContact CB-CE 4.49Å; M183-M197 HydrophobicContact CB-CG 4.44Å; M183-M197 HydrophobicContact CG-CB 3.88Å; M183-M197 HydrophobicContact CG-CG 4.37Å; M183-M197 HydrophobicContact SD-CB 3.92Å; M183-M197 HydrophobicContact SD-CG 3.77Å; M183-L268 HydrophobicContact CE-CD2 3.96Å; M183-L268 HydrophobicContact SD-CD2 3.63Å
184P97Very high94.5Very high66 Ų6686 Ų8643%0.42942%0.417SS..EExtended strand (participates in β ladder)trans-68.5134.5173.728.5-33.9000111
185F97Very high94.7Very high0 Ų084.4 Ų84.40%041%0.406CS..EExtended strand (participates in β ladder)trans-108.6120.4167.4-171-86000109.1I187 Q192 R193 V195 P270 A351 D352 H353 P354 F355 F373 S374 P376F185-I187 HydrophobicContact CD1-CG1 4.13Å; F185-I187 PolarHBondContact O-N 3.16Å; F185-Q192 CarbonylContact O-C 3.57Å; F185-Q192 WeakPolarHBondContact O-CA 3.08Å; F185-Q192 WeakPolarHBondContact O-CB 3.3Å; F185-R193 PolarHBondContact N-O 3.45Å; F185-R193 PolarHBondContact O-N 3.13Å; F185-V195 HydrophobicContact CB-CB 4.24Å; F185-V195 HydrophobicContact CB-CG1 3.86Å; F185-V195 HydrophobicContact CD2-CG1 4.4Å; F185-P270 HydrophobicContact CD2-CG 4.15Å; F185-P270 HydrophobicContact CE2-CG 4.15Å; F185-A351 WeakPolarHBondContact CE2-O 3.31Å; F185-D352 CarbonylContact C-O 3.57Å; F185-D352 WeakPolarHBondContact CA-O 3.5Å; F185-H353 WeakPolarHBondContact CZ-O 3.29Å; F185-P354 HydrophobicContact CE1-CG 4.41Å; F185-F355 HydrophobicContact CE2-CD1 4.44Å; F185-F355 HydrophobicContact CE2-CE1 4.16Å; F185-F373 AromaticContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CE1-CD1 4.39Å; F185-F373 HydrophobicContact CE1-CE1 4.31Å; F185-F373 AromaticContact CE2-CD1 3.63Å; F185-F373 HydrophobicContact CE2-CD1 3.63Å; F185-F373 AromaticContact CE2-CE1 3.51Å; F185-F373 HydrophobicContact CE2-CE1 3.51Å; F185-F373 AromaticContact CZ-CD1 3.53Å; F185-F373 HydrophobicContact CZ-CD1 3.53Å; F185-F373 AromaticContact CZ-CE1 3.69Å; F185-F373 HydrophobicContact CZ-CE1 3.69Å; F185-S374 WeakPolarHBondContact CE1-O 3.36Å; F185-P376 HydrophobicContact CB-CG 4.26Å
186K95.1Very high94.8Very high76 Ų7688 Ų8833%0.3342%0.422SS..EExtended strand (participates in β ladder)trans-83.395.8-176.7-51168.2-160136.50109N188 D235 D352 H353 P354K186-N188 VanDerWaalsContact C-N 3.33Å; K186-D235 IonicContact NZ-OD1 3.72Å; K186-D352 WeakPolarHBondContact CE-OD2 3.4Å; K186-D352 PolarHBondContact N-O 3.21Å; K186-D352 IonicContact NZ-OD1 3.96Å; K186-D352 PolarHBondContact NZ-OD1 2.91Å; K186-D352 IonicContact NZ-OD2 2.7Å; K186-D352 PolarHBondContact NZ-OD2 2.98Å; K186-H353 HydrophobicContact CB-CB 4.14Å; K186-H353 WeakPolarHBondContact O-CA 3.35Å; K186-P354 WeakPolarHBondContact O-CD 3.49Å
187I93Very high95Very high11 Ų1184.5 Ų84.56%0.05640%0.404CS..SBendtrans-66.2-41.3-179.6-62.3178.5000110.2F185 E191 R193 P354F185-I187 HydrophobicContact CD1-CG1 4.13Å; F185-I187 PolarHBondContact O-N 3.16Å; I187-E191 HydrophobicContact CB-CB 4.48Å; I187-E191 HydrophobicContact CD1-CG 4.22Å; I187-E191 PolarHBondContact N-O 3.32Å; I187-R193 HydrophobicContact CD1-CB 4.25Å; I187-R193 HydrophobicContact CD1-CG 3.69Å; I187-P354 WeakPolarHBondContact O-CG 3.36Å
188N88.7Confident95.2Very high78 Ų7878.7 Ų78.742%0.41738%0.377SS..SBendtrans-154.4-168.8174.559.255.4000109.2K186 E190 E191K186-N188 VanDerWaalsContact C-N 3.33Å; N188-E190 PolarHBondContact O-N 3.44Å; N188-E190 WeakPolarHBondContact OD1-CA 3.14Å; N188-E190 PolarHBondContact OD1-N 3.2Å; N188-E191 PolarHBondContact N-O 3.32Å; N188-E191 PolarHBondContact OD1-N 3.04Å
189Q85.6Confident95.3Very high177 Ų17775.8 Ų75.883%0.82735%0.354SS*.SBendtrans-66.3-21-178.4-63.8-176.53.700114.2
190E88.3Confident95.3Very high193 Ų19370.7 Ų70.790%0.90233%0.334SS*.SBendtrans-110.4-29.7-173.6-59.4-177.6176.500112.7N188N188-E190 PolarHBondContact O-N 3.44Å; N188-E190 WeakPolarHBondContact OD1-CA 3.14Å; N188-E190 PolarHBondContact OD1-N 3.2Å
191E93.1Very high95.2Very high72 Ų7274.2 Ų74.234%0.33635%0.349SS..  trans-114.9130.1-173-170-178.817900112.1I187 N188 R193I187-E191 HydrophobicContact CB-CB 4.48Å; I187-E191 HydrophobicContact CD1-CG 4.22Å; I187-E191 PolarHBondContact N-O 3.32Å; N188-E191 PolarHBondContact N-O 3.32Å; N188-E191 PolarHBondContact OD1-N 3.04Å; E191-R193 IonicContact OE1-CZ 3.11Å; E191-R193 IonicContact OE1-NE 2.86Å; E191-R193 PolarHBondContact OE1-NE 3.47Å; E191-R193 IonicContact OE1-NH2 2.68Å; E191-R193 PolarHBondContact OE1-NH2 3.43Å
192Q94.5Very high95.1Very high130 Ų13068 Ų6861%0.60733%0.329SS*.EExtended strand (participates in β ladder)trans-131.8147.7168.763.7-178.38.100110.3F185F185-Q192 CarbonylContact O-C 3.57Å; F185-Q192 WeakPolarHBondContact O-CA 3.08Å; F185-Q192 WeakPolarHBondContact O-CB 3.3Å
193R96.1Very high95.1Very high111 Ų11165.1 Ų65.142%0.41932%0.32SS..EExtended strand (participates in β ladder)trans-130.8148.4176.1-68-173.4-168.7171.8-0.3110.9F185 I187 E191 S375 P376F185-R193 PolarHBondContact N-O 3.45Å; F185-R193 PolarHBondContact O-N 3.13Å; I187-R193 HydrophobicContact CD1-CB 4.25Å; I187-R193 HydrophobicContact CD1-CG 3.69Å; E191-R193 IonicContact OE1-CZ 3.11Å; E191-R193 IonicContact OE1-NE 2.86Å; E191-R193 PolarHBondContact OE1-NE 3.47Å; E191-R193 IonicContact OE1-NH2 2.68Å; E191-R193 PolarHBondContact OE1-NH2 3.43Å; R193-S375 PolarHBondContact NH1-OG 3.37Å; R193-P376 HydrophobicContact CB-CG 3.79Å
194P97.3Very high95Very high81 Ų8164.1 Ų64.153%0.52632%0.315SS..EExtended strand (participates in β ladder)trans-65.5140.8173.327.4-33.1000110.8E182E182-P194 VanDerWaalsContact CD-CB 3.4Å; E182-P194 HydrophobicContact CG-CB 3.51Å
195V97.5Very high95.1Very high9 Ų964.9 Ų64.96%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-135.4147.8171.471.80000110E182 M183 F185 M197 P270 P376E182-V195 CarbonylContact C-O 3.11Å; E182-V195 WeakPolarHBondContact CA-O 3.48Å; M183-V195 PolarHBondContact N-O 2.92Å; M183-V195 PolarHBondContact O-N 2.95Å; F185-V195 HydrophobicContact CB-CB 4.24Å; F185-V195 HydrophobicContact CB-CG1 3.86Å; F185-V195 HydrophobicContact CD2-CG1 4.4Å; V195-M197 HydrophobicContact CG1-CE 3.86Å; V195-M197 PolarHBondContact O-N 3.02Å; V195-P270 HydrophobicContact CG1-CG 4.5Å; V195-P270 HydrophobicContact CG2-CB 3.88Å; V195-P376 HydrophobicContact CB-CB 3.77Å; V195-P376 HydrophobicContact CB-CG 4.23Å; V195-P376 HydrophobicContact CG2-CB 3.58Å
196Q97.8Very high95.1Very high83 Ų8365.9 Ų65.939%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-73.2110.7168.9-64.8-60-52.500108.7T180 K271T180-Q196 HydrophobicContact CG2-CB 4.04Å; Q196-K271 HydrophobicContact CB-CB 4.22Å; Q196-K271 HydrophobicContact CB-CD 4.45Å; Q196-K271 WeakPolarHBondContact O-CB 3.38Å; Q196-K271 PolarHBondContact O-N 3.33Å
197M98.2Very high95.1Very high1 Ų162.9 Ų62.91%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-101.5114.1-175.7-170.667.372.100109.4T180 R181 M183 V195 L268 L269 P270 D352T180-M197 WeakPolarHBondContact CA-O 3.4Å; R181-M197 PolarHBondContact N-O 3.25Å; R181-M197 VanDerWaalsContact N-O 3.09Å; R181-M197 WeakPolarHBondContact O-CB 3.37Å; R181-M197 PolarHBondContact O-N 3.29Å; M183-M197 HydrophobicContact CB-CB 3.88Å; M183-M197 HydrophobicContact CB-CE 4.49Å; M183-M197 HydrophobicContact CB-CG 4.44Å; M183-M197 HydrophobicContact CG-CB 3.88Å; M183-M197 HydrophobicContact CG-CG 4.37Å; M183-M197 HydrophobicContact SD-CB 3.92Å; M183-M197 HydrophobicContact SD-CG 3.77Å; V195-M197 HydrophobicContact CG1-CE 3.86Å; V195-M197 PolarHBondContact O-N 3.02Å; M197-L268 HydrophobicContact CG-CB 3.8Å; M197-L268 HydrophobicContact CG-CD2 4.17Å; M197-L268 HydrophobicContact CG-CG 4.5Å; M197-L268 VanDerWaalsContact SD-C 3.57Å; M197-L268 HydrophobicContact SD-CB 3.88Å; M197-L269 PolarHBondContact SD-N 2.91Å; M197-P270 HydrophobicContact CE-CG 3.96Å; M197-P270 HydrophobicContact SD-CG 4.01Å; M197-P270 VanDerWaalsContact SD-N 3.44Å; M197-D352 HydrophobicContact CE-CB 4.32Å
198M98.1Very high95.3Very high0 Ų067.7 Ų67.70%033%0.329CS..EExtended strand (participates in β ladder)trans-73.5147.8173.2-51.1-179-63.700109F175 T180 L268 L269 K271 V322 E324F175-M198 HydrophobicContact CB-CB 4.13Å; F175-M198 HydrophobicContact CD1-CB 3.56Å; F175-M198 HydrophobicContact CD2-CB 4.5Å; F175-M198 HydrophobicContact CD2-CE 4.18Å; F175-M198 HydrophobicContact CD2-SD 4.21Å; F175-M198 HydrophobicContact CE1-CB 4.02Å; F175-M198 HydrophobicContact CE2-CE 4.06Å; F175-M198 HydrophobicContact CG-CB 3.82Å; F175-M198 HydrophobicContact CG-SD 4.31Å; F175-M198 HydrophobicContact CZ-CE 4.33Å; T180-M198 HydrophobicContact CG2-CG 4.48Å; M198-L268 WeakPolarHBondContact O-CA 3.05Å; M198-L269 WeakPolarHBondContact CB-O 3.48Å; M198-L269 HydrophobicContact CE-CB 4.13Å; M198-L269 HydrophobicContact CE-CD2 3.92Å; M198-L269 HydrophobicContact CE-CG 4.13Å; M198-L269 PolarHBondContact N-O 3.02Å; M198-L269 PolarHBondContact O-N 3.41Å; M198-L269 VanDerWaalsContact O-N 3.1Å; M198-K271 HydrophobicContact CG-CB 3.88Å; M198-K271 HydrophobicContact SD-CB 4.09Å; M198-V322 HydrophobicContact CE-CG1 4.06Å; M198-E324 HydrophobicContact CG-CG 3.9Å; M198-E324 HydrophobicContact SD-CB 4.43Å; M198-E324 HydrophobicContact SD-CG 3.74Å
199Y97.2Very high95.5Very high49 Ų4964.5 Ų64.519%0.19231%0.312CS..EExtended strand (participates in β ladder)trans-134.6135.9-178.6170.7-91.6000110.9Y179 E266 V267 L268Y179-Y199 HydrophobicContact CD2-CD1 4.33Å; Y179-Y199 HydrophobicContact CG-CD1 4.11Å; Y199-E266 HydrophobicContact CE2-CB 4.44Å; Y199-V267 WeakPolarHBondContact CA-O 3.4Å; Y199-L268 HydrophobicContact CD2-CD1 4.44Å; Y199-L268 HydrophobicContact CD2-CG 4.09Å
200Q96.2Very high95.8Very high20 Ų2058.5 Ų58.59%0.09330%0.298CS..EExtended strand (participates in β ladder)trans-154.3156.9162.868.4179.4-4700110.7E173 F175 F204 V267E173-Q200 PolarHBondContact O-NE2 2.76Å; F175-Q200 HydrophobicContact CD1-CB 3.94Å; F175-Q200 HydrophobicContact CD1-CG 3.68Å; F175-Q200 HydrophobicContact CE1-CB 4.3Å; F175-Q200 HydrophobicContact CE1-CG 3.58Å; F175-Q200 VanDerWaalsContact CE2-NE2 3.29Å; F175-Q200 HydrophobicContact CG-CG 4.45Å; F175-Q200 HydrophobicContact CZ-CG 4.26Å; Q200-F204 HydrophobicContact CG-CE2 4.11Å; Q200-F204 HydrophobicContact CG-CZ 4.46Å; Q200-V267 HydrophobicContact CG-CB 4.36Å; Q200-V267 PolarHBondContact N-O 3.25Å; Q200-V267 VanDerWaalsContact N-O 3.12Å; Q200-V267 PolarHBondContact O-N 2.89Å
201E96.1Very high96Very high96 Ų9654.8 Ų54.845%0.44928%0.28SS..EExtended strand (participates in β ladder)trans-115.4118.9168.4-173.5175.4-176.400107.8E264 E266E201-E264 HydrophobicContact CG-CG 4.4Å; E201-E266 HydrophobicContact CG-CG 4.42Å
202A95.4Very high96Very high13 Ų1351.6 Ų51.611%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-159.9170.1-176.200000111F204 V265A202-F204 HydrophobicContact CB-CD2 4.14Å; A202-F204 HydrophobicContact CB-CE2 3.43Å; A202-F204 VanDerWaalsContact CB-CE2 3.43Å; A202-F204 HydrophobicContact CB-CZ 3.69Å; A202-F204 PolarHBondContact O-N 3.35Å; A202-V265 PolarHBondContact N-O 3.1Å; A202-V265 PolarHBondContact O-N 2.92Å
203T96.7Very high96.1Very high72 Ų7251.6 Ų51.644%0.44226%0.26SS..EExtended strand (participates in β ladder)trans-85.7106.9178.1-63.70000110.6S262 T263T203-S262 WeakPolarHBondContact CG2-OG 2.79Å; T203-T263 WeakPolarHBondContact CA-O 3.3Å
204F97.1Very high96.1Very high8 Ų846.3 Ų46.34%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-118.9167.2175.5-63.7-66.2000112.1E173 Q200 A202 L217 L219 T263 V265 V267E173-F204 HydrophobicContact CB-CE1 4.4Å; E173-F204 HydrophobicContact CB-CZ 4.29Å; Q200-F204 HydrophobicContact CG-CE2 4.11Å; Q200-F204 HydrophobicContact CG-CZ 4.46Å; A202-F204 HydrophobicContact CB-CD2 4.14Å; A202-F204 HydrophobicContact CB-CE2 3.43Å; A202-F204 VanDerWaalsContact CB-CE2 3.43Å; A202-F204 HydrophobicContact CB-CZ 3.69Å; A202-F204 PolarHBondContact O-N 3.35Å; F204-L217 HydrophobicContact CB-CD1 3.72Å; F204-L217 HydrophobicContact CG-CD1 4.43Å; F204-L219 HydrophobicContact CD1-CD2 3.67Å; F204-L219 HydrophobicContact CD2-CD2 3.92Å; F204-L219 HydrophobicContact CE1-CD2 3.67Å; F204-L219 HydrophobicContact CE2-CD2 3.88Å; F204-L219 HydrophobicContact CG-CD2 3.8Å; F204-L219 HydrophobicContact CZ-CD2 3.78Å; F204-T263 PolarHBondContact N-O 2.82Å; F204-T263 PolarHBondContact O-N 3.33Å; F204-V265 HydrophobicContact CB-CG1 3.95Å; F204-V265 HydrophobicContact CD2-CG1 3.86Å; F204-V265 HydrophobicContact CG-CG1 4.42Å; F204-V267 HydrophobicContact CD2-CG2 3.6Å; F204-V267 HydrophobicContact CE2-CG2 3.83Å
205K97.3Very high96.1Very high82 Ų8245 Ų4536%0.35723%0.227SC..EExtended strand (participates in β ladder)trans-82.2120.4171.9-83-179.6-179.3-177.40108.8E218 M260 K261K205-E218 HydrophobicContact CB-CB 3.97Å; K205-E218 WeakPolarHBondContact CD-OE2 3.28Å; K205-E218 IonicContact NZ-OE2 3.52Å; K205-E218 PolarHBondContact O-N 3.47Å; K205-M260 HydrophobicContact CB-CB 4.13Å; K205-M260 HydrophobicContact CB-CE 4.01Å; K205-M260 HydrophobicContact CD-CB 4.37Å; K205-M260 HydrophobicContact CG-CB 4.4Å; K205-M260 WeakPolarHBondContact O-CE 3.35Å; K205-K261 WeakPolarHBondContact CA-O 3.36Å
206L97.2Very high96.1Very high21 Ų2144.6 Ų44.611%0.1122%0.224CC..EExtended strand (participates in β ladder)trans-129.9138.9-178.1-175.468.9000110.4L216 L217 K261 V265 P347 F349L206-L216 WeakPolarHBondContact CA-O 3.15Å; L206-L217 HydrophobicContact CD1-CB 4.33Å; L206-L217 HydrophobicContact CD1-CD1 4.21Å; L206-K261 PolarHBondContact N-O 2.88Å; L206-K261 PolarHBondContact O-N 2.76Å; L206-V265 HydrophobicContact CD2-CG2 4.23Å; L206-P347 HydrophobicContact CD2-CB 4.18Å; L206-P347 HydrophobicContact CD2-CG 4.39Å; L206-F349 HydrophobicContact CD1-CD2 3.82Å; L206-F349 HydrophobicContact CD1-CE2 4.43Å
207A96.1Very high96.2Very high14 Ų1440.6 Ų40.612%0.11621%0.206CC..EExtended strand (participates in β ladder)trans-134.4155.2167.600000110.7Q215 L216 C259 M260A207-Q215 WeakPolarHBondContact O-CA 3.41Å; A207-L216 PolarHBondContact N-O 2.99Å; A207-L216 PolarHBondContact O-N 3.38Å; A207-C259 WeakPolarHBondContact CB-O 3.39Å; A207-M260 HydrophobicContact CB-CG 4.43Å; A207-M260 HydrophobicContact CB-SD 3.36Å; A207-M260 WeakPolarHBondContact CB-SD 3.45Å
208H96Very high96.1Very high112 Ų11241 Ų4152%0.51921%0.208SC..EExtended strand (participates in β ladder)trans-112.1122.8166.6-179.381.6000108.9G210 D234H208-G210 PolarHBondContact O-N 3.08Å; H208-D234 IonicContact CE1-OD1 3.32Å; H208-D234 PolarHBondContact CE1-OD1 3.04Å; H208-D234 IonicContact CE1-OD2 3.21Å; H208-D234 PolarHBondContact CE1-OD2 3.35Å; H208-D234 IonicContact ND1-OD1 3.67Å; H208-D234 IonicContact NE2-OD2 3.96Å
209V94.5Very high96.1Very high10 Ų1041.1 Ų41.16%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-99.787.9-175.2-171.50000109.1E211 V212 R213 A214 L216 W254V209-E211 HydrophobicContact CG1-CB 4.47Å; V209-E211 PolarHBondContact O-N 3.24Å; V209-E211 VanDerWaalsContact O-N 3.1Å; V209-V212 HydrophobicContact CB-CG2 3.92Å; V209-V212 HydrophobicContact CG1-CG2 3.68Å; V209-V212 PolarHBondContact O-N 3.25Å; V209-V212 VanDerWaalsContact O-N 3.11Å; V209-R213 PolarHBondContact O-N 3.38Å; V209-A214 PolarHBondContact N-O 2.87Å; V209-A214 PolarHBondContact O-N 3.26Å; V209-L216 HydrophobicContact CG2-CB 4.3Å; V209-W254 HydrophobicContact CG1-CD2 3.67Å; V209-W254 HydrophobicContact CG1-CE3 4.25Å; V209-W254 HydrophobicContact CG1-CG 3.99Å; V209-W254 HydrophobicContact CG1-CH2 4.27Å; V209-W254 HydrophobicContact CG1-CZ2 3.68Å; V209-W254 HydrophobicContact CG2-CB 4.19Å; V209-W254 HydrophobicContact CG2-CD2 4.11Å; V209-W254 HydrophobicContact CG2-CE3 4.38Å; V209-W254 HydrophobicContact CG2-CG 4.02Å
210G91Very high96.1Very high52 Ų5239.7 Ų39.754%0.53621%0.205SC..THydrogen-bonded Turntrans-58.1-27-175.400000114.8H208 V212H208-G210 PolarHBondContact O-N 3.08Å; G210-V212 VanDerWaalsContact C-N 3.31Å; G210-V212 PolarHBondContact O-N 2.84Å
211E91.8Very high96.1Very high115 Ų11538.9 Ų38.954%0.53720%0.201SC..THydrogen-bonded Turntrans-60.8-37.6177.1-171.3-169157.900112.9V209 S245 K250V209-E211 HydrophobicContact CG1-CB 4.47Å; V209-E211 PolarHBondContact O-N 3.24Å; V209-E211 VanDerWaalsContact O-N 3.1Å; E211-S245 PolarHBondContact OE1-OG 2.93Å; E211-K250 WeakPolarHBondContact OE1-CE 3.16Å; E211-K250 IonicContact OE1-NZ 2.63Å; E211-K250 PolarHBondContact OE1-NZ 3.49Å
212V93.9Very high95.9Very high4 Ų434.4 Ų34.42%0.02418%0.181CC..THydrogen-bonded Turntrans-113.40.9-178.3-64.50000113.1V209 G210 A214 V242 S245 W254V209-V212 HydrophobicContact CB-CG2 3.92Å; V209-V212 HydrophobicContact CG1-CG2 3.68Å; V209-V212 PolarHBondContact O-N 3.25Å; V209-V212 VanDerWaalsContact O-N 3.11Å; G210-V212 VanDerWaalsContact C-N 3.31Å; G210-V212 PolarHBondContact O-N 2.84Å; V212-A214 HydrophobicContact CG2-CB 3.84Å; V212-V242 HydrophobicContact CB-CG2 4.25Å; V212-V242 HydrophobicContact CG2-CG1 4.39Å; V212-S245 WeakPolarHBondContact CG1-OG 3.39Å; V212-W254 HydrophobicContact CG1-CH2 3.97Å; V212-W254 HydrophobicContact CG1-CZ2 4.29Å; V212-W254 HydrophobicContact CG2-CH2 4.04Å; V212-W254 HydrophobicContact CG2-CZ2 4.43Å; V212-W254 HydrophobicContact CG2-CZ3 4.48Å
213R96.1Very high95.7Very high131 Ų13141.8 Ų41.849%0.49421%0.206SC..THydrogen-bonded Turntrans5163-176.8-61.9-173.3-60.5161.92.3110.7V209 D234 V237V209-R213 PolarHBondContact O-N 3.38Å; R213-D234 VanDerWaalsContact C-CG 3.43Å; R213-D234 WeakPolarHBondContact CA-OD2 3.48Å; R213-D234 VanDerWaalsContact CB-OD2 3.31Å; R213-D234 WeakPolarHBondContact CB-OD2 3.36Å; R213-D234 VanDerWaalsContact O-CG 3.26Å; R213-D234 PolarHBondContact O-N 2.81Å; R213-V237 HydrophobicContact CB-CG1 4.48Å; R213-V237 HydrophobicContact CB-CG2 3.91Å; R213-V237 VanDerWaalsContact CZ-CG2 3.45Å
214A97.2Very high95.5Very high0 Ų044.2 Ų44.20%021%0.21CC..EExtended strand (participates in β ladder)trans-144.9147.2-177.200000111.1V209 V212 L231 L232 V242V209-A214 PolarHBondContact N-O 2.87Å; V209-A214 PolarHBondContact O-N 3.26Å; V212-A214 HydrophobicContact CG2-CB 3.84Å; A214-L231 HydrophobicContact CB-CD1 3.86Å; A214-L231 HydrophobicContact CB-CG 4.44Å; A214-L232 CarbonylContact C-O 3.07Å; A214-L232 WeakPolarHBondContact CA-O 3.17Å; A214-L232 VanDerWaalsContact CB-O 3.28Å; A214-L232 WeakPolarHBondContact CB-O 3.37Å; A214-V242 HydrophobicContact CB-CG2 4.25Å
215Q97.2Very high95.4Very high53 Ų5345.4 Ų45.425%0.24822%0.216CC..EExtended strand (participates in β ladder)trans-86.8142.1167.5-60.6-178.1-18.900110.2A207 L231 L232 F349A207-Q215 WeakPolarHBondContact O-CA 3.41Å; Q215-L231 WeakPolarHBondContact O-CA 3.22Å; Q215-L232 PolarHBondContact N-O 3.25Å; Q215-L232 PolarHBondContact O-N 3.28Å; Q215-F349 HydrophobicContact CB-CD2 3.82Å; Q215-F349 HydrophobicContact CB-CE2 3.58Å; Q215-F349 VanDerWaalsContact OE1-CD2 3.26Å
216L97.9Very high95.3Very high0 Ų041.5 Ų41.50%020%0.199CC..EExtended strand (participates in β ladder)trans-123.4114.8175.7-17962.5000109.3L206 A207 V209 L229 V230 L231 W254 T255 M260L206-L216 WeakPolarHBondContact CA-O 3.15Å; A207-L216 PolarHBondContact N-O 2.99Å; A207-L216 PolarHBondContact O-N 3.38Å; V209-L216 HydrophobicContact CG2-CB 4.3Å; L216-L229 HydrophobicContact CD1-CB 4.37Å; L216-V230 WeakPolarHBondContact CA-O 3.29Å; L216-L231 HydrophobicContact CB-CD1 4.18Å; L216-L231 HydrophobicContact CD1-CB 4.1Å; L216-L231 HydrophobicContact CD1-CD1 4.13Å; L216-W254 HydrophobicContact CD2-CB 3.88Å; L216-T255 HydrophobicContact CD2-CG2 3.69Å; L216-M260 HydrophobicContact CB-SD 4.42Å; L216-M260 HydrophobicContact CD2-CE 4.46Å; L216-M260 HydrophobicContact CD2-SD 3.89Å; L216-M260 HydrophobicContact CG-CE 4.11Å; L216-M260 HydrophobicContact CG-SD 4.05Å; L216-M260 WeakPolarHBondContact O-CE 3.29Å
217L98.3Very high95.3Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans-108.2135.3178.2-179.769.8000110.1F204 L206 L219 L229 V230 V265 V267 F349F204-L217 HydrophobicContact CB-CD1 3.72Å; F204-L217 HydrophobicContact CG-CD1 4.43Å; L206-L217 HydrophobicContact CD1-CB 4.33Å; L206-L217 HydrophobicContact CD1-CD1 4.21Å; L217-L219 HydrophobicContact CD2-CD1 4.01Å; L217-L219 HydrophobicContact CD2-CD2 3.96Å; L217-L219 HydrophobicContact CD2-CG 3.85Å; L217-L219 HydrophobicContact CG-CD2 4.25Å; L217-L219 HydrophobicContact CG-CG 4.07Å; L217-L229 CarbonylContact O-C 3.56Å; L217-L229 VanDerWaalsContact O-CA 3.32Å; L217-L229 WeakPolarHBondContact O-CA 3.29Å; L217-V230 PolarHBondContact N-O 2.86Å; L217-V230 PolarHBondContact O-N 3Å; L217-V265 HydrophobicContact CD1-CG1 4.37Å; L217-V267 HydrophobicContact CD1-CG2 4.43Å; L217-V267 HydrophobicContact CD2-CB 4.49Å; L217-V267 HydrophobicContact CD2-CG1 3.71Å; L217-V267 HydrophobicContact CD2-CG2 3.92Å; L217-F349 HydrophobicContact CB-CD1 4.25Å; L217-F349 HydrophobicContact CB-CD2 3.81Å; L217-F349 HydrophobicContact CB-CE1 4.01Å; L217-F349 HydrophobicContact CB-CE2 3.54Å; L217-F349 HydrophobicContact CB-CG 4.15Å; L217-F349 HydrophobicContact CB-CZ 3.65Å; L217-F349 HydrophobicContact CD2-CB 4.42Å; L217-F349 HydrophobicContact CD2-CD1 3.57Å; L217-F349 HydrophobicContact CD2-CD2 4.4Å; L217-F349 HydrophobicContact CD2-CE1 3.83Å; L217-F349 HydrophobicContact CD2-CG 3.87Å; L217-F349 HydrophobicContact CD2-CZ 4.34Å; L217-F349 HydrophobicContact CG-CG 4.49Å
218E98.1Very high95.4Very high9 Ų939.9 Ų39.94%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-110.2114.1170.4177.1176.8-167.600110.5K205 P220 S227 L228 L229 M260 R360K205-E218 HydrophobicContact CB-CB 3.97Å; K205-E218 WeakPolarHBondContact CD-OE2 3.28Å; K205-E218 IonicContact NZ-OE2 3.52Å; K205-E218 PolarHBondContact O-N 3.47Å; E218-P220 WeakPolarHBondContact O-CD 3.46Å; E218-S227 WeakPolarHBondContact OE1-CB 3.41Å; E218-S227 PolarHBondContact OE1-OG 2.89Å; E218-L228 WeakPolarHBondContact CA-O 3.37Å; E218-L229 HydrophobicContact CB-CD2 3.63Å; E218-L229 HydrophobicContact CG-CD2 3.7Å; E218-M260 HydrophobicContact CB-CE 3.74Å; E218-R360 IonicContact OE1-NH2 3.53Å; E218-R360 PolarHBondContact OE1-NH2 2.94Å; E218-R360 IonicContact OE2-NH2 2.98Å
219L97.3Very high95.5Very high2 Ų234.7 Ų34.71%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-105.4106.7175.6-66.5173.1000109.9W171 F175 F204 L217 S227 L228 V267 L269W171-L219 HydrophobicContact CE3-CB 4.31Å; W171-L219 HydrophobicContact CH2-CD1 4.49Å; W171-L219 HydrophobicContact CZ3-CB 3.83Å; F175-L219 HydrophobicContact CZ-CD1 4.4Å; F204-L219 HydrophobicContact CD1-CD2 3.67Å; F204-L219 HydrophobicContact CD2-CD2 3.92Å; F204-L219 HydrophobicContact CE1-CD2 3.67Å; F204-L219 HydrophobicContact CE2-CD2 3.88Å; F204-L219 HydrophobicContact CG-CD2 3.8Å; F204-L219 HydrophobicContact CZ-CD2 3.78Å; L217-L219 HydrophobicContact CD2-CD1 4.01Å; L217-L219 HydrophobicContact CD2-CD2 3.96Å; L217-L219 HydrophobicContact CD2-CG 3.85Å; L217-L219 HydrophobicContact CG-CD2 4.25Å; L217-L219 HydrophobicContact CG-CG 4.07Å; L219-S227 WeakPolarHBondContact O-CA 3.5Å; L219-L228 HydrophobicContact CB-CB 4.31Å; L219-L228 HydrophobicContact CD1-CD2 4.41Å; L219-L228 PolarHBondContact N-O 3.44Å; L219-L228 PolarHBondContact O-N 2.85Å; L219-V267 HydrophobicContact CD1-CG1 4.46Å; L219-L269 HydrophobicContact CD1-CD2 3.77Å
220P96.9Very high95.7Very high20 Ų2034.2 Ų34.213%0.1316%0.161CC..EExtended strand (participates in β ladder)trans-71.3136.2179.6-17.431.9000112N172 E218 K224N172-P220 HydrophobicContact CB-CB 4.11Å; N172-P220 VanDerWaalsContact CB-O 3.27Å; N172-P220 WeakPolarHBondContact CB-O 3.02Å; N172-P220 PolarHBondContact N-O 2.78Å; E218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-K224 HydrophobicContact CB-CB 4.33Å; P220-K224 HydrophobicContact CB-CD 4.5Å; P220-K224 HydrophobicContact CB-CG 3.89Å
221Y95.5Very high96Very high3 Ų331.7 Ų31.71%0.01214%0.136CC..BIsolated β-bridgetrans-76.9169.4161.3-69-78.1000110.3F167 K170 W171 R223 K224 L226 L228 I359F167-Y221 HydrophobicContact CE1-CE1 4.27Å; F167-Y221 HydrophobicContact CE1-CE2 4.15Å; F167-Y221 AromaticContact CE1-CZ 3.8Å; F167-Y221 HydrophobicContact CZ-CD2 4.36Å; F167-Y221 HydrophobicContact CZ-CE1 4.27Å; F167-Y221 HydrophobicContact CZ-CE2 4.04Å; F167-Y221 AromaticContact CZ-CZ 3.98Å; K170-Y221 CarbonylContact O-C 3.58Å; K170-Y221 WeakPolarHBondContact O-CA 3.5Å; K170-Y221 WeakPolarHBondContact O-CB 3.15Å; K170-Y221 WeakPolarHBondContact O-CD1 3.37Å; W171-Y221 HydrophobicContact CD2-CD1 4.36Å; W171-Y221 HydrophobicContact CD2-CE1 4.17Å; W171-Y221 AromaticContact CE3-CD1 3.77Å; W171-Y221 HydrophobicContact CE3-CD1 3.77Å; W171-Y221 AromaticContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CE1 3.68Å; W171-Y221 HydrophobicContact CE3-CG 4.37Å; W171-Y221 AromaticContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE1 3.77Å; W171-Y221 HydrophobicContact CH2-CE2 4.49Å; W171-Y221 AromaticContact CH2-CZ 3.69Å; W171-Y221 HydrophobicContact CZ2-CE1 4.27Å; W171-Y221 AromaticContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD1 3.92Å; W171-Y221 HydrophobicContact CZ3-CD2 4.41Å; W171-Y221 AromaticContact CZ3-CE1 3.45Å; W171-Y221 HydrophobicContact CZ3-CE1 3.45Å; W171-Y221 VanDerWaalsContact CZ3-CE1 3.45Å; W171-Y221 AromaticContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CE2 4Å; W171-Y221 HydrophobicContact CZ3-CG 4.39Å; W171-Y221 AromaticContact CZ3-CZ 3.5Å; W171-Y221 VanDerWaalsContact CZ3-CZ 3.5Å; Y221-R223 PolarHBondContact O-N 2.95Å; Y221-K224 VanDerWaalsContact O-CA 3.26Å; Y221-K224 WeakPolarHBondContact O-CA 3.35Å; Y221-K224 PolarHBondContact O-N 2.9Å; Y221-L226 WeakPolarHBondContact CB-O 3.38Å; Y221-L226 HydrophobicContact CD2-CB 3.74Å; Y221-L226 HydrophobicContact CG-CB 4.35Å; Y221-L226 PolarHBondContact N-O 3.24Å; Y221-L228 HydrophobicContact CE2-CB 3.93Å; Y221-I359 HydrophobicContact CE2-CG2 4.26Å
222A92.8Very high96.3Very high2 Ų226.4 Ų26.42%0.01711%0.111CC..G310 helixtrans-45.8137.1-179.200000113.2Q83 K170 K224 T327Q83-A222 HydrophobicContact CB-CB 3.5Å; Q83-A222 VanDerWaalsContact CB-CB 3.5Å; Q83-A222 HydrophobicContact CG-CB 4.3Å; K170-A222 HydrophobicContact CB-CB 4.36Å; K170-A222 WeakPolarHBondContact O-CB 3.28Å; K170-A222 PolarHBondContact O-N 2.84Å; A222-K224 PolarHBondContact O-N 2.81Å; A222-T327 HydrophobicContact CB-CG2 3.36Å
223R91.1Very high96.5Very high168 Ų16826.4 Ų26.463%0.63411%0.111SC*.G310 helixtrans58.610-174-59.8-178.4176.2-163.2-2.7114.6Q83 Y221 E225Q83-R223 HydrophobicContact CG-CG 3.97Å; Y221-R223 PolarHBondContact O-N 2.95Å; R223-E225 HydrophobicContact CB-CG 4.06Å; R223-E225 PolarHBondContact O-N 2.93Å; R223-E225 VanDerWaalsContact O-N 3.13Å
224K93.3Very high96.5Very high122 Ų12222.2 Ų22.253%0.5310%0.098SC..G310 helixtrans55.327.3-179.5-49-173.8178.1-1760112.7P220 Y221 A222 N362P220-K224 HydrophobicContact CB-CB 4.33Å; P220-K224 HydrophobicContact CB-CD 4.5Å; P220-K224 HydrophobicContact CB-CG 3.89Å; Y221-K224 VanDerWaalsContact O-CA 3.26Å; Y221-K224 WeakPolarHBondContact O-CA 3.35Å; Y221-K224 PolarHBondContact O-N 2.9Å; A222-K224 PolarHBondContact O-N 2.81Å; K224-N362 PolarHBondContact O-ND2 3.38Å
225E93.4Very high96.2Very high33 Ų3328.4 Ų28.415%0.15413%0.132CC..SBendtrans-70.8-41.1176.7-65.8-170.3109.900111K79 Y84 R223 N362K79-E225 WeakPolarHBondContact CE-OE1 3.41Å; K79-E225 IonicContact NZ-OE1 2.77Å; K79-E225 PolarHBondContact NZ-OE1 2.86Å; Y84-E225 HydrophobicContact CE1-CB 4.06Å; R223-E225 HydrophobicContact CB-CG 4.06Å; R223-E225 PolarHBondContact O-N 2.93Å; R223-E225 VanDerWaalsContact O-N 3.13Å; E225-N362 PolarHBondContact O-N 2.81Å
226L95.8Very high95.8Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-118.7155.5173.8-53.4-179.6000109.8Y84 F167 Y221 I359 R360 H361 L368Y84-L226 HydrophobicContact CD1-CD1 3.61Å; Y84-L226 HydrophobicContact CD1-CG 3.83Å; Y84-L226 HydrophobicContact CD2-CD1 3.86Å; Y84-L226 HydrophobicContact CE1-CD1 3.8Å; Y84-L226 HydrophobicContact CE1-CD2 4.22Å; Y84-L226 HydrophobicContact CE1-CG 3.73Å; Y84-L226 HydrophobicContact CE2-CD1 4.04Å; Y84-L226 HydrophobicContact CG-CD1 3.63Å; Y84-L226 HydrophobicContact CG-CG 4.37Å; F167-L226 HydrophobicContact CD2-CD1 4.39Å; F167-L226 HydrophobicContact CE2-CD1 3.34Å; F167-L226 HydrophobicContact CZ-CD1 3.72Å; Y221-L226 WeakPolarHBondContact CB-O 3.38Å; Y221-L226 HydrophobicContact CD2-CB 3.74Å; Y221-L226 HydrophobicContact CG-CB 4.35Å; Y221-L226 PolarHBondContact N-O 3.24Å; L226-I359 HydrophobicContact CD1-CG2 4.33Å; L226-R360 CarbonylContact C-O 3.4Å; L226-R360 WeakPolarHBondContact CA-O 3.28Å; L226-H361 HydrophobicContact CD2-CB 3.76Å; L226-H361 VanDerWaalsContact CD2-CD2 3.46Å; L226-H361 WeakPolarHBondContact CD2-CD2 2.88Å; L226-L368 HydrophobicContact CD1-CD1 4.34Å; L226-L368 HydrophobicContact CD2-CD1 3.62Å
227S97Very high95.5Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-131.5141.2167.5-64.70000110.4E218 L219 I359 R360 N362E218-S227 WeakPolarHBondContact OE1-CB 3.41Å; E218-S227 PolarHBondContact OE1-OG 2.89Å; L219-S227 WeakPolarHBondContact O-CA 3.5Å; S227-I359 WeakPolarHBondContact O-CA 3.45Å; S227-R360 PolarHBondContact N-O 2.81Å; S227-R360 PolarHBondContact O-N 2.81Å; S227-N362 PolarHBondContact OG-ND2 2.84Å; S227-N362 PolarHBondContact OG-OD1 3.39Å
228L97.9Very high95.2Very high1 Ų135.2 Ų35.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-82.9124.8159.9-17970000108W171 E218 L219 Y221 V230 L269 F357 F358 I359W171-L228 HydrophobicContact CH2-CB 3.99Å; W171-L228 HydrophobicContact CH2-CD2 3.65Å; W171-L228 HydrophobicContact CH2-CG 4.44Å; W171-L228 HydrophobicContact CZ3-CB 3.93Å; W171-L228 HydrophobicContact CZ3-CD2 4.39Å; E218-L228 WeakPolarHBondContact CA-O 3.37Å; L219-L228 HydrophobicContact CB-CB 4.31Å; L219-L228 HydrophobicContact CD1-CD2 4.41Å; L219-L228 PolarHBondContact N-O 3.44Å; L219-L228 PolarHBondContact O-N 2.85Å; Y221-L228 HydrophobicContact CE2-CB 3.93Å; L228-V230 HydrophobicContact CD2-CG2 3.79Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; L228-L269 HydrophobicContact CD2-CD2 4Å; L228-F357 HydrophobicContact CD1-CB 4.01Å; L228-F357 HydrophobicContact CD1-CD2 3.91Å; L228-F357 HydrophobicContact CD1-CG 4.38Å; L228-F358 CarbonylContact C-O 3.57Å; L228-F358 WeakPolarHBondContact CA-O 3.47Å; L228-I359 HydrophobicContact CD1-CG1 3.83Å
229L98.1Very high95Very high3 Ų335.4 Ų35.42%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-103.2126.3169.3-57.6172.8000107.6L216 L217 E218 T255 F357 F358 R360L216-L229 HydrophobicContact CD1-CB 4.37Å; L217-L229 CarbonylContact O-C 3.56Å; L217-L229 VanDerWaalsContact O-CA 3.32Å; L217-L229 WeakPolarHBondContact O-CA 3.29Å; E218-L229 HydrophobicContact CB-CD2 3.63Å; E218-L229 HydrophobicContact CG-CD2 3.7Å; L229-T255 HydrophobicContact CD1-CG2 3.86Å; L229-T255 HydrophobicContact CD2-CG2 4.16Å; L229-F357 CarbonylContact O-C 3.53Å; L229-F357 WeakPolarHBondContact O-CA 3.5Å; L229-F358 HydrophobicContact CB-CB 4.23Å; L229-F358 HydrophobicContact CB-CD2 4.42Å; L229-F358 HydrophobicContact CD1-CB 4.43Å; L229-F358 PolarHBondContact N-O 3.39Å; L229-F358 PolarHBondContact O-N 2.92Å; L229-R360 HydrophobicContact CD1-CB 4.35Å
230V98.3Very high94.7Very high0 Ų037.5 Ų37.50%020%0.201CC..EExtended strand (participates in β ladder)trans-115.1117.5176.4-171.90000108.3L216 L217 L228 L269 F349 F355L216-V230 WeakPolarHBondContact CA-O 3.29Å; L217-V230 PolarHBondContact N-O 2.86Å; L217-V230 PolarHBondContact O-N 3Å; L228-V230 HydrophobicContact CD2-CG2 3.79Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; V230-L269 HydrophobicContact CG2-CD1 4.11Å; V230-F349 HydrophobicContact CB-CE1 4.06Å; V230-F349 HydrophobicContact CB-CZ 3.82Å; V230-F349 HydrophobicContact CG1-CE1 3.81Å; V230-F349 HydrophobicContact CG1-CZ 3.68Å; V230-F355 HydrophobicContact CG1-CB 4.32Å; V230-F355 HydrophobicContact CG1-CD2 3.62Å; V230-F355 HydrophobicContact CG1-CE2 4.06Å; V230-F355 HydrophobicContact CG1-CG 3.99Å
231L98Very high94.5Very high0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-105.8102.1177.2-176.665000108.3A214 Q215 L216 V242 L246 W254 L356A214-L231 HydrophobicContact CB-CD1 3.86Å; A214-L231 HydrophobicContact CB-CG 4.44Å; Q215-L231 WeakPolarHBondContact O-CA 3.22Å; L216-L231 HydrophobicContact CB-CD1 4.18Å; L216-L231 HydrophobicContact CD1-CB 4.1Å; L216-L231 HydrophobicContact CD1-CD1 4.13Å; L231-V242 HydrophobicContact CD2-CG1 3.37Å; L231-V242 HydrophobicContact CG-CG1 3.86Å; L231-L246 HydrophobicContact CD2-CD1 4.27Å; L231-W254 HydrophobicContact CD2-CZ3 4.15Å; L231-L356 HydrophobicContact CB-CB 4.33Å; L231-L356 PolarHBondContact N-O 2.93Å; L231-L356 PolarHBondContact O-N 2.81Å
232L98.1Very high94.5Very high4 Ų439.4 Ų39.42%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-109.2116.4-171.8178.867.9000109.3A214 Q215 F349 C350 A351 H353 F355A214-L232 CarbonylContact C-O 3.07Å; A214-L232 WeakPolarHBondContact CA-O 3.17Å; A214-L232 VanDerWaalsContact CB-O 3.28Å; A214-L232 WeakPolarHBondContact CB-O 3.37Å; Q215-L232 PolarHBondContact N-O 3.25Å; Q215-L232 PolarHBondContact O-N 3.28Å; L232-F349 HydrophobicContact CB-CE1 4.35Å; L232-F349 HydrophobicContact CB-CE2 3.89Å; L232-F349 HydrophobicContact CB-CZ 3.55Å; L232-F349 HydrophobicContact CD2-CD1 4.33Å; L232-F349 HydrophobicContact CD2-CD2 4.4Å; L232-F349 HydrophobicContact CD2-CE1 4Å; L232-F349 HydrophobicContact CD2-CE2 4.08Å; L232-F349 HydrophobicContact CD2-CZ 3.87Å; L232-F349 HydrophobicContact CG-CZ 4.37Å; L232-C350 WeakPolarHBondContact CD2-O 3.41Å; L232-A351 HydrophobicContact CD1-CB 4.3Å; L232-A351 HydrophobicContact CD2-CB 4.41Å; L232-H353 WeakPolarHBondContact CD1-NE2 3.46Å; L232-F355 HydrophobicContact CB-CB 4.47Å; L232-F355 HydrophobicContact CD1-CB 3.86Å; L232-F355 HydrophobicContact CD1-CD1 4.46Å
233P97.4Very high94.6Very high3 Ų340.5 Ų40.52%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-56.3154.8172.6-19.430.4000112.3V237 L239 V242 H353 P354P233-V237 HydrophobicContact CB-CB 3.95Å; P233-V237 HydrophobicContact CB-CG1 4.2Å; P233-V237 WeakPolarHBondContact CB-O 3.35Å; P233-L239 HydrophobicContact CG-CB 4.22Å; P233-L239 HydrophobicContact CG-CD1 3.49Å; P233-L239 VanDerWaalsContact CG-CD1 3.49Å; P233-L239 HydrophobicContact CG-CG 4.49Å; P233-V242 HydrophobicContact CB-CG2 4.21Å; P233-V242 HydrophobicContact CG-CG2 3.91Å; P233-H353 PolarHBondContact O-NE2 3.42Å; P233-P354 WeakPolarHBondContact CD-O 3.41Å
234D96.1Very high94.7Very high43 Ų4340.1 Ų40.123%0.2322%0.221CC..PPolyproline II helixtrans-69.7160.1168.7-58.3-30.3000110.4H208 R213 G236 V237H208-D234 IonicContact CE1-OD1 3.32Å; H208-D234 PolarHBondContact CE1-OD1 3.04Å; H208-D234 IonicContact CE1-OD2 3.21Å; H208-D234 PolarHBondContact CE1-OD2 3.35Å; H208-D234 IonicContact ND1-OD1 3.67Å; H208-D234 IonicContact NE2-OD2 3.96Å; R213-D234 VanDerWaalsContact C-CG 3.43Å; R213-D234 WeakPolarHBondContact CA-OD2 3.48Å; R213-D234 VanDerWaalsContact CB-OD2 3.31Å; R213-D234 WeakPolarHBondContact CB-OD2 3.36Å; R213-D234 VanDerWaalsContact O-CG 3.26Å; R213-D234 PolarHBondContact O-N 2.81Å; D234-G236 PolarHBondContact O-N 3.28Å; D234-V237 HydrophobicContact CB-CG2 3.96Å; D234-V237 VanDerWaalsContact O-CB 3.26Å; D234-V237 WeakPolarHBondContact O-CB 3.21Å; D234-V237 WeakPolarHBondContact O-CG2 3.46Å; D234-V237 PolarHBondContact O-N 2.99Å
235D91.7Very high94.7Very high130 Ų13035.8 Ų35.870%0.69521%0.206SC*.THydrogen-bonded Turntrans-53.4132175.1-74.9-46.1000111.8K186 V237K186-D235 IonicContact NZ-OD1 3.72Å; D235-V237 VanDerWaalsContact C-N 3.28Å; D235-V237 PolarHBondContact O-N 3.45Å
236G88.4Confident94.9Very high78 Ų7834.3 Ų34.380%0.80420%0.199SC*.THydrogen-bonded Turntrans78.46-177.200000114.7D234D234-G236 PolarHBondContact O-N 3.28Å
237V92.8Very high94.9Very high10 Ų1036.7 Ų36.76%0.06121%0.213CC..  trans-101.4117173.3-172.90000110.2R213 P233 D234 D235 L239R213-V237 HydrophobicContact CB-CG1 4.48Å; R213-V237 HydrophobicContact CB-CG2 3.91Å; R213-V237 VanDerWaalsContact CZ-CG2 3.45Å; P233-V237 HydrophobicContact CB-CB 3.95Å; P233-V237 HydrophobicContact CB-CG1 4.2Å; P233-V237 WeakPolarHBondContact CB-O 3.35Å; D234-V237 HydrophobicContact CB-CG2 3.96Å; D234-V237 VanDerWaalsContact O-CB 3.26Å; D234-V237 WeakPolarHBondContact O-CB 3.21Å; D234-V237 WeakPolarHBondContact O-CG2 3.46Å; D234-V237 PolarHBondContact O-N 2.99Å; D235-V237 VanDerWaalsContact C-N 3.28Å; D235-V237 PolarHBondContact O-N 3.45Å; V237-L239 PolarHBondContact O-N 3.12Å
238E91.1Very high94.8Very high108 Ų10837.2 Ų37.251%0.50522%0.216SC..  trans-64.3131.2174.5-64.8-61.2140.200111.2S240 T241E238-S240 PolarHBondContact O-N 2.93Å; E238-S240 VanDerWaalsContact O-N 3.08Å; E238-T241 VanDerWaalsContact O-CB 3.23Å; E238-T241 WeakPolarHBondContact O-CB 3.14Å; E238-T241 PolarHBondContact O-N 3.3Å; E238-T241 PolarHBondContact O-OG1 3.11Å; E238-T241 VanDerWaalsContact O-OG1 3.09Å
239L94.1Very high94.7Very high14 Ų1444.7 Ų44.77%0.07325%0.25CS..Hα-helixtrans-54-32.8178.8-174.265.7000112.7P233 V237 T241 V242 E243 P354 L356 R372P233-L239 HydrophobicContact CG-CB 4.22Å; P233-L239 HydrophobicContact CG-CD1 3.49Å; P233-L239 VanDerWaalsContact CG-CD1 3.49Å; P233-L239 HydrophobicContact CG-CG 4.49Å; V237-L239 PolarHBondContact O-N 3.12Å; L239-T241 PolarHBondContact O-N 3Å; L239-T241 VanDerWaalsContact O-N 3.12Å; L239-V242 HydrophobicContact CD1-CB 4.48Å; L239-V242 WeakPolarHBondContact O-CA 3.22Å; L239-V242 WeakPolarHBondContact O-CB 3.4Å; L239-V242 PolarHBondContact O-N 3.36Å; L239-E243 HydrophobicContact CG-CG 4.3Å; L239-E243 PolarHBondContact O-N 3.43Å; L239-P354 HydrophobicContact CB-CB 4.38Å; L239-P354 HydrophobicContact CD2-CB 3.82Å; L239-L356 HydrophobicContact CD1-CG 4.04Å; L239-L356 HydrophobicContact CD2-CD2 4.34Å; L239-R372 VanDerWaalsContact CD2-CD 3.42Å; L239-R372 HydrophobicContact CD2-CG 3.61Å
240S91.9Very high94.6Very high46 Ų4647.1 Ų47.132%0.32226%0.261SS..Hα-helixtrans-58.4-25.8176.9700000113.6E238 E243 K244E238-S240 PolarHBondContact O-N 2.93Å; E238-S240 VanDerWaalsContact O-N 3.08Å; S240-E243 WeakPolarHBondContact CA-OE2 3.5Å; S240-K244 WeakPolarHBondContact O-CB 3.35Å; S240-K244 WeakPolarHBondContact O-CD 3.5Å; S240-K244 WeakPolarHBondContact O-CG 3.41Å; S240-K244 PolarHBondContact O-N 3.29Å
241T92.1Very high94.5Very high63 Ų6347.3 Ų47.339%0.38726%0.262SS..Hα-helixtrans-66-44.5173.8-50.90000110.6E238 L239 S245E238-T241 VanDerWaalsContact O-CB 3.23Å; E238-T241 WeakPolarHBondContact O-CB 3.14Å; E238-T241 PolarHBondContact O-N 3.3Å; E238-T241 PolarHBondContact O-OG1 3.11Å; E238-T241 VanDerWaalsContact O-OG1 3.09Å; L239-T241 PolarHBondContact O-N 3Å; L239-T241 VanDerWaalsContact O-N 3.12Å; T241-S245 PolarHBondContact O-N 2.79Å
242V94.5Very high94.3Very high0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-66.8-48.7176.9-1760000109.7V212 A214 L231 P233 L239 K244 S245 L246 L356V212-V242 HydrophobicContact CB-CG2 4.25Å; V212-V242 HydrophobicContact CG2-CG1 4.39Å; A214-V242 HydrophobicContact CB-CG2 4.25Å; L231-V242 HydrophobicContact CD2-CG1 3.37Å; L231-V242 HydrophobicContact CG-CG1 3.86Å; P233-V242 HydrophobicContact CB-CG2 4.21Å; P233-V242 HydrophobicContact CG-CG2 3.91Å; L239-V242 HydrophobicContact CD1-CB 4.48Å; L239-V242 WeakPolarHBondContact O-CA 3.22Å; L239-V242 WeakPolarHBondContact O-CB 3.4Å; L239-V242 PolarHBondContact O-N 3.36Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 PolarHBondContact O-N 2.99Å; V242-S245 PolarHBondContact O-N 3.48Å; V242-L246 WeakPolarHBondContact O-CB 3.44Å; V242-L246 PolarHBondContact O-N 3.01Å; V242-L356 HydrophobicContact CG1-CD1 4.5Å
243E94.7Very high94.1Very high25 Ų2550.5 Ų50.512%0.11729%0.285CS..Hα-helixtrans-55.1-46.7178.5-70.7174.3155.900111.9K17 C20 L239 S240 L246 L356 R372K17-E243 WeakPolarHBondContact CE-O 3.33Å; C20-E243 WeakPolarHBondContact CB-OE1 3.34Å; C20-E243 PolarHBondContact SG-OE1 2.92Å; L239-E243 HydrophobicContact CG-CG 4.3Å; L239-E243 PolarHBondContact O-N 3.43Å; S240-E243 WeakPolarHBondContact CA-OE2 3.5Å; E243-L246 PolarHBondContact O-N 3.45Å; E243-L356 HydrophobicContact CG-CD1 4.06Å; E243-L356 HydrophobicContact CG-CD2 4.22Å; E243-L356 HydrophobicContact CG-CG 4.48Å; E243-R372 WeakPolarHBondContact OE1-CD 3.36Å; E243-R372 IonicContact OE1-CZ 2.81Å; E243-R372 IonicContact OE1-NH1 2.87Å; E243-R372 PolarHBondContact OE1-NH1 2.91Å; E243-R372 VanDerWaalsContact OE1-NH1 3.15Å
244K93.4Very high94Very high160 Ų16051.6 Ų51.670%0.69629%0.289SS*.Hα-helixtrans-62.1-46.2-179.9-75.8168.4-173.9170.30112.2K17 S240 V242K17-K244 PolarHBondContact NZ-O 3.46Å; S240-K244 WeakPolarHBondContact O-CB 3.35Å; S240-K244 WeakPolarHBondContact O-CD 3.5Å; S240-K244 WeakPolarHBondContact O-CG 3.41Å; S240-K244 PolarHBondContact O-N 3.29Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 PolarHBondContact O-N 2.99Å
245S94.5Very high93.9Very high31 Ų3150 Ų5022%0.21728%0.281CS..Hα-helixtrans-75.3-24.3-176.7-172.30000113.5E211 V212 T241 V242 T247 K250E211-S245 PolarHBondContact OE1-OG 2.93Å; V212-S245 WeakPolarHBondContact CG1-OG 3.39Å; T241-S245 PolarHBondContact O-N 2.79Å; V242-S245 PolarHBondContact O-N 3.48Å; S245-T247 PolarHBondContact O-N 2.83Å; S245-K250 VanDerWaalsContact O-CD 3.31Å; S245-K250 WeakPolarHBondContact O-CD 3.28Å; S245-K250 PolarHBondContact O-NZ 3.27Å; S245-K250 PolarHBondContact OG-NZ 3.21Å
246L96.5Very high94Very high2 Ų249.2 Ų49.21%0.0127%0.271CS..  trans-59.4129-175.3-175.565.9000112.7I13 L16 K17 L231 V242 E243 L251 W254 L356 F358I13-L246 HydrophobicContact CD1-CD2 3.81Å; I13-L246 HydrophobicContact CD1-CG 4.1Å; I13-L246 HydrophobicContact CG2-CD2 4.31Å; I13-L246 HydrophobicContact CG2-CG 4.05Å; I13-L246 WeakPolarHBondContact CG2-O 3.27Å; L16-L246 HydrophobicContact CD2-CD2 4.43Å; K17-L246 VanDerWaalsContact CE-O 3.27Å; K17-L246 WeakPolarHBondContact CE-O 3.32Å; K17-L246 PolarHBondContact NZ-O 3.05Å; L231-L246 HydrophobicContact CD2-CD1 4.27Å; V242-L246 WeakPolarHBondContact O-CB 3.44Å; V242-L246 PolarHBondContact O-N 3.01Å; E243-L246 PolarHBondContact O-N 3.45Å; L246-L251 HydrophobicContact CD1-CB 4.18Å; L246-W254 HydrophobicContact CD1-CH2 4.34Å; L246-W254 HydrophobicContact CD1-CZ3 3.73Å; L246-L356 HydrophobicContact CD2-CD1 3.72Å; L246-F358 HydrophobicContact CD2-CE1 4.46Å; L246-F358 HydrophobicContact CD2-CZ 3.75Å
247T96.4Very high94Very high49 Ų4950.2 Ų50.230%0.30126%0.264SS..  trans-133.6160.2166.669.70000109S245 E249 K250 L251S245-T247 PolarHBondContact O-N 2.83Å; T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 2.74Å; T247-K250 HydrophobicContact CG2-CD 4.47Å; T247-K250 PolarHBondContact O-N 3.36Å; T247-K250 WeakPolarHBondContact OG1-CB 3.32Å; T247-K250 VanDerWaalsContact OG1-CG 3.3Å; T247-K250 WeakPolarHBondContact OG1-CG 3.49Å; T247-K250 PolarHBondContact OG1-N 3.01Å; T247-K250 VanDerWaalsContact OG1-N 3.12Å; T247-L251 PolarHBondContact O-N 2.89Å
248F95.6Very high93.9Very high11 Ų1157.2 Ų57.25%0.04830%0.301CS..Hα-helixtrans-65.3-36.3177.8-176.8-112.7000112.2I13 L251 T252 I367I13-F248 HydrophobicContact CG1-CB 4.05Å; F248-L251 PolarHBondContact O-N 2.67Å; F248-T252 WeakPolarHBondContact O-CB 3.35Å; F248-T252 PolarHBondContact O-N 3.43Å; F248-T252 PolarHBondContact O-OG1 3.27Å; F248-I367 HydrophobicContact CD2-CD1 3.67Å; F248-I367 HydrophobicContact CE2-CD1 3.64Å; F248-I367 HydrophobicContact CE2-CG1 3.99Å
249E94.9Very high93.8Very high158 Ų15855.1 Ų55.174%0.73830%0.298SS*.Hα-helixtrans-59.3-47.8173.7-177.1-176.9-178.200111.4T247 T252 A253T247-E249 VanDerWaalsContact C-N 3.29Å; T247-E249 PolarHBondContact O-N 2.74Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-A253 WeakPolarHBondContact O-CB 3.46Å; E249-A253 PolarHBondContact O-N 2.68Å
250K95.6Very high93.8Very high55 Ų5554.8 Ų54.824%0.23930%0.296CS..Hα-helixtrans-62.1-48.7176.6-77.7178.5-175.7-1760111.9E211 S245 T247 T252 A253 W254E211-K250 WeakPolarHBondContact OE1-CE 3.16Å; E211-K250 IonicContact OE1-NZ 2.63Å; E211-K250 PolarHBondContact OE1-NZ 3.49Å; S245-K250 VanDerWaalsContact O-CD 3.31Å; S245-K250 WeakPolarHBondContact O-CD 3.28Å; S245-K250 PolarHBondContact O-NZ 3.27Å; S245-K250 PolarHBondContact OG-NZ 3.21Å; T247-K250 HydrophobicContact CG2-CD 4.47Å; T247-K250 PolarHBondContact O-N 3.36Å; T247-K250 WeakPolarHBondContact OG1-CB 3.32Å; T247-K250 VanDerWaalsContact OG1-CG 3.3Å; T247-K250 WeakPolarHBondContact OG1-CG 3.49Å; T247-K250 PolarHBondContact OG1-N 3.01Å; T247-K250 VanDerWaalsContact OG1-N 3.12Å; K250-T252 VanDerWaalsContact C-N 3.27Å; K250-T252 PolarHBondContact O-N 3.09Å; K250-A253 WeakPolarHBondContact O-CB 3.44Å; K250-A253 PolarHBondContact O-N 3.21Å; K250-A253 VanDerWaalsContact O-N 3.07Å; K250-W254 HydrophobicContact CB-CD2 4.25Å; K250-W254 HydrophobicContact CB-CH2 3.95Å; K250-W254 HydrophobicContact CB-CZ2 3.6Å; K250-W254 HydrophobicContact CB-CZ3 4.39Å; K250-W254 HydrophobicContact CD-CH2 4.24Å; K250-W254 HydrophobicContact CD-CZ2 3.81Å; K250-W254 HydrophobicContact CG-CZ2 4.05Å; K250-W254 WeakPolarHBondContact O-CB 3.25Å; K250-W254 VanDerWaalsContact O-CD2 3.24Å; K250-W254 PolarHBondContact O-N 3.39Å
251L96.2Very high93.8Very high4 Ų459.8 Ų59.82%0.02131%0.312CS..Hα-helixtrans-58.2-41.4177.2-177.263.1000111.7I13 L246 T247 F248 T255 F358 I367I13-L251 HydrophobicContact CD1-CD2 4.5Å; L246-L251 HydrophobicContact CD1-CB 4.18Å; T247-L251 PolarHBondContact O-N 2.89Å; F248-L251 PolarHBondContact O-N 2.67Å; L251-T255 HydrophobicContact CD1-CG2 4.3Å; L251-T255 WeakPolarHBondContact O-CB 3.31Å; L251-T255 VanDerWaalsContact O-CG2 3.28Å; L251-T255 WeakPolarHBondContact O-CG2 3.48Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 VanDerWaalsContact O-N 3.11Å; L251-T255 PolarHBondContact O-OG1 2.85Å; L251-F358 HydrophobicContact CD1-CD2 4.46Å; L251-F358 HydrophobicContact CD1-CE2 4.45Å; L251-F358 HydrophobicContact CD2-CD1 4.11Å; L251-F358 HydrophobicContact CD2-CD2 4.2Å; L251-F358 HydrophobicContact CD2-CE1 4.21Å; L251-F358 HydrophobicContact CD2-CE2 4.31Å; L251-F358 HydrophobicContact CD2-CG 4.13Å; L251-F358 HydrophobicContact CD2-CZ 4.33Å; L251-I367 HydrophobicContact CD2-CD1 3.87Å
252T94Very high94Very high34 Ų3461.3 Ų61.321%0.20933%0.325CS..Hα-helixtrans-64.7-42.2175.5-58.80000111.2F248 E249 K250 T255 K256F248-T252 WeakPolarHBondContact O-CB 3.35Å; F248-T252 PolarHBondContact O-N 3.43Å; F248-T252 PolarHBondContact O-OG1 3.27Å; E249-T252 PolarHBondContact O-N 3.41Å; K250-T252 VanDerWaalsContact C-N 3.27Å; K250-T252 PolarHBondContact O-N 3.09Å; T252-T255 PolarHBondContact O-N 2.92Å; T252-T255 PolarHBondContact O-OG1 3.06Å; T252-K256 WeakPolarHBondContact O-CG 3.44Å; T252-K256 PolarHBondContact O-N 3.22Å
253A94.4Very high94Very high36 Ų3663 Ų6330%0.29834%0.335SS..Hα-helixtrans-63.9-46.8176.900000112.1E249 K250 T255 K256 C259E249-A253 WeakPolarHBondContact O-CB 3.46Å; E249-A253 PolarHBondContact O-N 2.68Å; K250-A253 WeakPolarHBondContact O-CB 3.44Å; K250-A253 PolarHBondContact O-N 3.21Å; K250-A253 VanDerWaalsContact O-N 3.07Å; A253-T255 PolarHBondContact O-N 3.01Å; A253-K256 WeakPolarHBondContact O-CB 3.19Å; A253-K256 PolarHBondContact O-N 3.11Å; A253-C259 PolarHBondContact O-SG 3.35Å
254W94.9Very high94Very high26 Ų2666.3 Ų66.310%0.09835%0.351CS..Hα-helixtrans-65-28.2-179.5-56.3-25.3000112.8V209 V212 L216 L231 L246 K250 C259 M260V209-W254 HydrophobicContact CG1-CD2 3.67Å; V209-W254 HydrophobicContact CG1-CE3 4.25Å; V209-W254 HydrophobicContact CG1-CG 3.99Å; V209-W254 HydrophobicContact CG1-CH2 4.27Å; V209-W254 HydrophobicContact CG1-CZ2 3.68Å; V209-W254 HydrophobicContact CG2-CB 4.19Å; V209-W254 HydrophobicContact CG2-CD2 4.11Å; V209-W254 HydrophobicContact CG2-CE3 4.38Å; V209-W254 HydrophobicContact CG2-CG 4.02Å; V212-W254 HydrophobicContact CG1-CH2 3.97Å; V212-W254 HydrophobicContact CG1-CZ2 4.29Å; V212-W254 HydrophobicContact CG2-CH2 4.04Å; V212-W254 HydrophobicContact CG2-CZ2 4.43Å; V212-W254 HydrophobicContact CG2-CZ3 4.48Å; L216-W254 HydrophobicContact CD2-CB 3.88Å; L231-W254 HydrophobicContact CD2-CZ3 4.15Å; L246-W254 HydrophobicContact CD1-CH2 4.34Å; L246-W254 HydrophobicContact CD1-CZ3 3.73Å; K250-W254 HydrophobicContact CB-CD2 4.25Å; K250-W254 HydrophobicContact CB-CH2 3.95Å; K250-W254 HydrophobicContact CB-CZ2 3.6Å; K250-W254 HydrophobicContact CB-CZ3 4.39Å; K250-W254 HydrophobicContact CD-CH2 4.24Å; K250-W254 HydrophobicContact CD-CZ2 3.81Å; K250-W254 HydrophobicContact CG-CZ2 4.05Å; K250-W254 WeakPolarHBondContact O-CB 3.25Å; K250-W254 VanDerWaalsContact O-CD2 3.24Å; K250-W254 PolarHBondContact O-N 3.39Å; W254-C259 WeakPolarHBondContact O-CB 3.49Å; W254-M260 WeakPolarHBondContact O-CG 3.46Å
255T94.5Very high94.2Very high11 Ų1158.8 Ų58.87%0.06732%0.318CS..THydrogen-bonded Turntrans-92.87.1179.857.10000114.3L216 L229 L251 T252 A253 R360L216-T255 HydrophobicContact CD2-CG2 3.69Å; L229-T255 HydrophobicContact CD1-CG2 3.86Å; L229-T255 HydrophobicContact CD2-CG2 4.16Å; L251-T255 HydrophobicContact CD1-CG2 4.3Å; L251-T255 WeakPolarHBondContact O-CB 3.31Å; L251-T255 VanDerWaalsContact O-CG2 3.28Å; L251-T255 WeakPolarHBondContact O-CG2 3.48Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 VanDerWaalsContact O-N 3.11Å; L251-T255 PolarHBondContact O-OG1 2.85Å; T252-T255 PolarHBondContact O-N 2.92Å; T252-T255 PolarHBondContact O-OG1 3.06Å; A253-T255 PolarHBondContact O-N 3.01Å; T255-R360 PolarHBondContact OG1-NH1 3.39Å
256K92.9Very high94.3Very high113 Ų11359.9 Ų59.949%0.49132%0.32SS..SBendtrans-63.6147.8173.8-74.2-178179.7178.30110.7T252 A253 D258 C259 M260T252-K256 WeakPolarHBondContact O-CG 3.44Å; T252-K256 PolarHBondContact O-N 3.22Å; A253-K256 WeakPolarHBondContact O-CB 3.19Å; A253-K256 PolarHBondContact O-N 3.11Å; K256-D258 PolarHBondContact O-N 3.08Å; K256-D258 VanDerWaalsContact O-N 3.12Å; K256-C259 PolarHBondContact O-N 2.96Å; K256-M260 PolarHBondContact O-N 3.47Å
257P89.7Confident94.4Very high99 Ų9959.8 Ų59.864%0.64332%0.319SS*.THydrogen-bonded Turntrans-53-34178.3-27.935.6000114.3C259P257-C259 VanDerWaalsContact C-N 3.28Å; P257-C259 PolarHBondContact O-N 3.12Å
258D89.4Confident94.5Very high156 Ų15657.5 Ų57.583%0.83431%0.305SS*.THydrogen-bonded Turntrans-72.8-20.7-179.7-55.7-31000113.2K256K256-D258 PolarHBondContact O-N 3.08Å; K256-D258 VanDerWaalsContact O-N 3.12Å
259C90.6Very high94.6Very high65 Ų6557 Ų5744%0.43930%0.303SS..THydrogen-bonded Turntrans-92.6-33.3179.6-62.10000112.2A207 A253 W254 K256 P257A207-C259 WeakPolarHBondContact CB-O 3.39Å; A253-C259 PolarHBondContact O-SG 3.35Å; W254-C259 WeakPolarHBondContact O-CB 3.49Å; K256-C259 PolarHBondContact O-N 2.96Å; P257-C259 VanDerWaalsContact C-N 3.28Å; P257-C259 PolarHBondContact O-N 3.12Å
260M92.5Very high94.7Very high7 Ų749.5 Ų49.53%0.03427%0.268CS..SBendtrans-95.4106.6-176.1-63-71.9-75.300110.7K205 A207 L216 E218 W254 K256K205-M260 HydrophobicContact CB-CB 4.13Å; K205-M260 HydrophobicContact CB-CE 4.01Å; K205-M260 HydrophobicContact CD-CB 4.37Å; K205-M260 HydrophobicContact CG-CB 4.4Å; K205-M260 WeakPolarHBondContact O-CE 3.35Å; A207-M260 HydrophobicContact CB-CG 4.43Å; A207-M260 HydrophobicContact CB-SD 3.36Å; A207-M260 WeakPolarHBondContact CB-SD 3.45Å; L216-M260 HydrophobicContact CB-SD 4.42Å; L216-M260 HydrophobicContact CD2-CE 4.46Å; L216-M260 HydrophobicContact CD2-SD 3.89Å; L216-M260 HydrophobicContact CG-CE 4.11Å; L216-M260 HydrophobicContact CG-SD 4.05Å; L216-M260 WeakPolarHBondContact O-CE 3.29Å; E218-M260 HydrophobicContact CB-CE 3.74Å; W254-M260 WeakPolarHBondContact O-CG 3.46Å; K256-M260 PolarHBondContact O-N 3.47Å
261K92.6Very high94.8Very high151 Ų15150.5 Ų50.566%0.65727%0.272SS*.EExtended strand (participates in β ladder)trans-81.5139.4179.7-64.9-178.4-178177.90110.4K205 L206 T263K205-K261 WeakPolarHBondContact CA-O 3.36Å; L206-K261 PolarHBondContact N-O 2.88Å; L206-K261 PolarHBondContact O-N 2.76Å; K261-T263 PolarHBondContact O-N 2.77Å; K261-T263 PolarHBondContact O-OG1 3.09Å
262S95.4Very high94.7Very high94 Ų9450.9 Ų50.966%0.65727%0.274SS*.EExtended strand (participates in β ladder)trans-71.1120.7166.8-158.60000107.8T203T203-S262 WeakPolarHBondContact CG2-OG 2.79Å
263T94.6Very high94.7Very high37 Ų3755 Ų5523%0.22729%0.289CS..EExtended strand (participates in β ladder)trans-146.2131.6-169.1-58.80000109.4T203 F204 K261 V265 P347T203-T263 WeakPolarHBondContact CA-O 3.3Å; F204-T263 PolarHBondContact N-O 2.82Å; F204-T263 PolarHBondContact O-N 3.33Å; K261-T263 PolarHBondContact O-N 2.77Å; K261-T263 PolarHBondContact O-OG1 3.09Å; T263-V265 PolarHBondContact O-N 3.42Å; T263-P347 HydrophobicContact CG2-CG 3.35Å
264E96.4Very high94.7Very high94 Ų9453.6 Ų53.644%0.43928%0.276SS..EExtended strand (participates in β ladder)trans-68.7118.5167.6-172.9166.1-14500107.9E201 P347E201-E264 HydrophobicContact CG-CG 4.4Å; E264-P347 WeakPolarHBondContact O-CD 3.44Å; E264-P347 WeakPolarHBondContact O-CG 3.26Å
265V96.4Very high94.6Very high1 Ų156.3 Ų56.31%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-140.8136.3-168.255.90000109.9A202 F204 L206 L217 T263 V267 P347 F349A202-V265 PolarHBondContact N-O 3.1Å; A202-V265 PolarHBondContact O-N 2.92Å; F204-V265 HydrophobicContact CB-CG1 3.95Å; F204-V265 HydrophobicContact CD2-CG1 3.86Å; F204-V265 HydrophobicContact CG-CG1 4.42Å; L206-V265 HydrophobicContact CD2-CG2 4.23Å; L217-V265 HydrophobicContact CD1-CG1 4.37Å; T263-V265 PolarHBondContact O-N 3.42Å; V265-V267 HydrophobicContact CG1-CG2 3.87Å; V265-V267 HydrophobicContact CG2-CG2 4.35Å; V265-V267 PolarHBondContact O-N 2.8Å; V265-P347 WeakPolarHBondContact CA-O 3.27Å; V265-P347 HydrophobicContact CB-CG 4.41Å; V265-P347 VanDerWaalsContact CG2-O 3.29Å; V265-P347 WeakPolarHBondContact CG2-O 3.27Å; V265-F349 HydrophobicContact CG2-CB 3.93Å
266E97.4Very high94.6Very high54 Ų5457.1 Ų57.125%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-75.6112.6166.6-65.7-177.9111.400108.8Y199 E201 P347 R348 F349Y199-E266 HydrophobicContact CE2-CB 4.44Å; E201-E266 HydrophobicContact CG-CG 4.42Å; E266-P347 PolarHBondContact N-O 3.32Å; E266-P347 VanDerWaalsContact N-O 3.11Å; E266-R348 HydrophobicContact CB-CB 4.29Å; E266-R348 HydrophobicContact CB-CG 4.09Å; E266-F349 PolarHBondContact O-N 3.32Å
267V98.2Very high94.6Very high0 Ų056.2 Ų56.20%029%0.293CS..EExtended strand (participates in β ladder)trans-102.3119.4179.5-178.10000109.7F175 Y199 Q200 F204 L217 L219 V265 L269F175-V267 HydrophobicContact CE1-CG1 4.16Å; F175-V267 HydrophobicContact CZ-CG1 4.19Å; Y199-V267 WeakPolarHBondContact CA-O 3.4Å; Q200-V267 HydrophobicContact CG-CB 4.36Å; Q200-V267 PolarHBondContact N-O 3.25Å; Q200-V267 VanDerWaalsContact N-O 3.12Å; Q200-V267 PolarHBondContact O-N 2.89Å; F204-V267 HydrophobicContact CD2-CG2 3.6Å; F204-V267 HydrophobicContact CE2-CG2 3.83Å; L217-V267 HydrophobicContact CD1-CG2 4.43Å; L217-V267 HydrophobicContact CD2-CB 4.49Å; L217-V267 HydrophobicContact CD2-CG1 3.71Å; L217-V267 HydrophobicContact CD2-CG2 3.92Å; L219-V267 HydrophobicContact CD1-CG1 4.46Å; V265-V267 HydrophobicContact CG1-CG2 3.87Å; V265-V267 HydrophobicContact CG2-CG2 4.35Å; V265-V267 PolarHBondContact O-N 2.8Å; V267-L269 HydrophobicContact CG1-CB 4.33Å
268L98.3Very high94.8Very high2 Ų253 Ų531%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-112.3113.1166.7-59.190.3000108.8M183 M197 M198 Y199 R348 F349 C350 A351M183-L268 HydrophobicContact CE-CD2 3.96Å; M183-L268 HydrophobicContact SD-CD2 3.63Å; M197-L268 HydrophobicContact CG-CB 3.8Å; M197-L268 HydrophobicContact CG-CD2 4.17Å; M197-L268 HydrophobicContact CG-CG 4.5Å; M197-L268 VanDerWaalsContact SD-C 3.57Å; M197-L268 HydrophobicContact SD-CB 3.88Å; M198-L268 WeakPolarHBondContact O-CA 3.05Å; Y199-L268 HydrophobicContact CD2-CD1 4.44Å; Y199-L268 HydrophobicContact CD2-CG 4.09Å; L268-R348 HydrophobicContact CD1-CG 3.86Å; L268-R348 VanDerWaalsContact CD1-NE 3.35Å; L268-F349 PolarHBondContact N-O 2.82Å; L268-C350 HydrophobicContact CB-CB 4.49Å; L268-C350 HydrophobicContact CD1-CB 4.24Å; L268-A351 PolarHBondContact O-N 3.11Å
269L98.2Very high94.9Very high0 Ų048.7 Ų48.70%025%0.246CC..EExtended strand (participates in β ladder)trans-128.7130.3-177-173.870.8000110.2W171 F175 M197 M198 L219 L228 V230 V267 K271 V322 A351 F355W171-L269 HydrophobicContact CZ2-CD2 4.44Å; F175-L269 HydrophobicContact CZ-CB 4.27Å; F175-L269 HydrophobicContact CZ-CD2 4.38Å; M197-L269 PolarHBondContact SD-N 2.91Å; M198-L269 WeakPolarHBondContact CB-O 3.48Å; M198-L269 HydrophobicContact CE-CB 4.13Å; M198-L269 HydrophobicContact CE-CD2 3.92Å; M198-L269 HydrophobicContact CE-CG 4.13Å; M198-L269 PolarHBondContact N-O 3.02Å; M198-L269 PolarHBondContact O-N 3.41Å; M198-L269 VanDerWaalsContact O-N 3.1Å; L219-L269 HydrophobicContact CD1-CD2 3.77Å; L228-L269 HydrophobicContact CD2-CD2 4Å; V230-L269 HydrophobicContact CG2-CD1 4.11Å; V267-L269 HydrophobicContact CG1-CB 4.33Å; L269-K271 PolarHBondContact O-N 2.85Å; L269-V322 HydrophobicContact CD2-CG1 4.24Å; L269-A351 HydrophobicContact CD1-CB 4.17Å; L269-F355 HydrophobicContact CD1-CZ 4.36Å
270P97.5Very high95.1Very high0 Ų045.6 Ų45.60%023%0.225CC..EExtended strand (participates in β ladder)trans-58.3136.9174.7-29.137.8000112.4F185 V195 M197 F272 A351 F355 F373F185-P270 HydrophobicContact CD2-CG 4.15Å; F185-P270 HydrophobicContact CE2-CG 4.15Å; V195-P270 HydrophobicContact CG1-CG 4.5Å; V195-P270 HydrophobicContact CG2-CB 3.88Å; M197-P270 HydrophobicContact CE-CG 3.96Å; M197-P270 HydrophobicContact SD-CG 4.01Å; M197-P270 VanDerWaalsContact SD-N 3.44Å; P270-F272 HydrophobicContact CB-CD1 4.16Å; P270-F272 WeakPolarHBondContact O-CD1 3.35Å; P270-A351 WeakPolarHBondContact CD-O 3.19Å; P270-A351 VanDerWaalsContact CG-O 3.29Å; P270-A351 WeakPolarHBondContact CG-O 3.5Å; P270-F355 HydrophobicContact CG-CE1 4.12Å; P270-F373 HydrophobicContact CB-CE1 3.86Å; P270-F373 HydrophobicContact CB-CZ 4.04Å; P270-F373 HydrophobicContact CG-CD1 4.44Å; P270-F373 HydrophobicContact CG-CE1 3.9Å
271K95.8Very high95.2Very high77 Ų7747.8 Ų47.834%0.33524%0.235SC..  trans-79121.7161.9176.9179.3-1691550108.1Q196 M198 L269 V322 N323 E324Q196-K271 HydrophobicContact CB-CB 4.22Å; Q196-K271 HydrophobicContact CB-CD 4.45Å; Q196-K271 WeakPolarHBondContact O-CB 3.38Å; Q196-K271 PolarHBondContact O-N 3.33Å; M198-K271 HydrophobicContact CG-CB 3.88Å; M198-K271 HydrophobicContact SD-CB 4.09Å; L269-K271 PolarHBondContact O-N 2.85Å; K271-V322 WeakPolarHBondContact CA-O 3.44Å; K271-N323 HydrophobicContact CG-CB 4.32Å; K271-E324 WeakPolarHBondContact CD-OE2 3.21Å; K271-E324 WeakPolarHBondContact CE-OE2 3.49Å; K271-E324 VanDerWaalsContact NZ-CD 3.31Å; K271-E324 IonicContact NZ-OE1 2.97Å; K271-E324 PolarHBondContact NZ-OE1 2.83Å; K271-E324 VanDerWaalsContact NZ-OE1 3.09Å; K271-E324 IonicContact NZ-OE2 3.93Å; K271-E324 PolarHBondContact NZ-OE2 3.5Å
272F95Very high95.2Very high11 Ų1143.9 Ų43.95%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-148.5159.6-176.164.3-99.3000113.9P270 L274 V320 V322 F355 F357 F373P270-F272 HydrophobicContact CB-CD1 4.16Å; P270-F272 WeakPolarHBondContact O-CD1 3.35Å; F272-L274 HydrophobicContact CD2-CD1 4.04Å; F272-L274 HydrophobicContact CD2-CG 3.75Å; F272-L274 HydrophobicContact CE2-CD1 3.84Å; F272-L274 HydrophobicContact CE2-CG 4.03Å; F272-V320 HydrophobicContact CE2-CG1 4.39Å; F272-V322 HydrophobicContact CD1-CB 4.2Å; F272-V322 HydrophobicContact CD1-CG1 4.49Å; F272-V322 HydrophobicContact CD2-CB 4.25Å; F272-V322 HydrophobicContact CD2-CG2 4.18Å; F272-V322 HydrophobicContact CE1-CB 3.98Å; F272-V322 HydrophobicContact CE1-CG1 4.08Å; F272-V322 HydrophobicContact CE1-CG2 4.04Å; F272-V322 HydrophobicContact CE2-CB 4.07Å; F272-V322 HydrophobicContact CE2-CG2 3.56Å; F272-V322 HydrophobicContact CG-CB 4.34Å; F272-V322 HydrophobicContact CZ-CB 3.93Å; F272-V322 HydrophobicContact CZ-CG1 4.35Å; F272-V322 HydrophobicContact CZ-CG2 3.48Å; F272-V322 VanDerWaalsContact CZ-CG2 3.48Å; F272-V322 PolarHBondContact N-O 2.83Å; F272-V322 PolarHBondContact O-N 3.03Å; F272-F355 HydrophobicContact CE1-CZ 4.21Å; F272-F357 HydrophobicContact CE2-CZ 4.36Å; F272-F357 HydrophobicContact CZ-CE1 4.46Å; F272-F357 HydrophobicContact CZ-CZ 4.49Å; F272-F373 HydrophobicContact CB-CD2 4.24Å; F272-F373 HydrophobicContact CB-CE2 3.49Å; F272-F373 VanDerWaalsContact CB-CE2 3.49Å; F272-F373 HydrophobicContact CB-CZ 4.05Å; F272-F373 HydrophobicContact CD1-CD2 4.05Å; F272-F373 AromaticContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CZ 4.36Å; F272-F373 HydrophobicContact CD2-CD2 4.24Å; F272-F373 HydrophobicContact CD2-CE2 4.32Å; F272-F373 HydrophobicContact CE1-CD2 4.44Å; F272-F373 AromaticContact CG-CD2 3.93Å; F272-F373 HydrophobicContact CG-CD2 3.93Å; F272-F373 AromaticContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CZ 4.4Å
273K93.9Very high95.2Very high122 Ų12240 Ų4053%0.5320%0.199SC..EExtended strand (participates in β ladder)trans-125.2127167.9-58.8-176.5-173.1-157.60107.5F319 V320 E321K273-F319 HydrophobicContact CB-CZ 4.45Å; K273-F319 HydrophobicContact CD-CZ 4.38Å; K273-V320 WeakPolarHBondContact CA-O 3.37Å; K273-E321 HydrophobicContact CD-CG 4.43Å; K273-E321 WeakPolarHBondContact CE-OE1 3.12Å; K273-E321 HydrophobicContact CG-CB 4.37Å; K273-E321 HydrophobicContact CG-CG 4.12Å; K273-E321 IonicContact NZ-OE1 3.93Å; K273-E321 PolarHBondContact NZ-OE1 2.87Å; K273-E321 IonicContact NZ-OE2 2.8Å
274L94.1Very high95.3Very high5 Ų538.3 Ų38.33%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-117.1132.8174-65.2176.2000109.1N27 F29 F272 F319 V320 F357 F373N27-L274 HydrophobicContact CB-CD2 3.69Å; N27-L274 VanDerWaalsContact ND2-CD2 3.26Å; N27-L274 WeakPolarHBondContact ND2-CD2 3.38Å; F29-L274 HydrophobicContact CB-CB 4.14Å; F29-L274 HydrophobicContact CB-CD1 4.26Å; F29-L274 HydrophobicContact CD1-CB 4.43Å; F29-L274 HydrophobicContact CG-CB 4.31Å; F272-L274 HydrophobicContact CD2-CD1 4.04Å; F272-L274 HydrophobicContact CD2-CG 3.75Å; F272-L274 HydrophobicContact CE2-CD1 3.84Å; F272-L274 HydrophobicContact CE2-CG 4.03Å; L274-F319 WeakPolarHBondContact O-CA 3.34Å; L274-V320 HydrophobicContact CB-CG1 3.84Å; L274-V320 PolarHBondContact N-O 3.12Å; L274-V320 PolarHBondContact O-N 3.3Å; L274-F357 HydrophobicContact CD1-CE1 3.8Å; L274-F357 HydrophobicContact CD1-CZ 3.68Å; L274-F373 HydrophobicContact CD1-CD2 4.32Å; L274-F373 HydrophobicContact CD2-CD2 4.32Å
275Q93.6Very high95.2Very high84 Ų8437.1 Ų37.139%0.39318%0.18SC..EExtended strand (participates in β ladder)trans-134113.2171.7-175.1-173.8-73.100107.9K143 K317 S318 F319K143-Q275 PolarHBondContact O-OE1 2.83Å; Q275-K317 VanDerWaalsContact NE2-CE 3.28Å; Q275-S318 WeakPolarHBondContact CA-O 3.44Å; Q275-F319 HydrophobicContact CB-CD2 3.8Å; Q275-F319 HydrophobicContact CB-CE2 4.34Å; Q275-F319 HydrophobicContact CG-CD2 3.99Å
276E94.3Very high95.1Very high27 Ų2744.3 Ų44.313%0.12621%0.213CC..EExtended strand (participates in β ladder)trans-125.4140.3-178.4-62-61.9155.900109.6H26 F29 Y278 K317 S318H26-E276 IonicContact CE1-OE1 3.84Å; H26-E276 IonicContact CE1-OE2 2.8Å; H26-E276 PolarHBondContact CE1-OE2 3.4Å; F29-E276 HydrophobicContact CB-CB 4.27Å; F29-E276 HydrophobicContact CB-CG 3.73Å; F29-E276 WeakPolarHBondContact O-CB 3.35Å; E276-Y278 HydrophobicContact CB-CE2 3.69Å; E276-Y278 WeakPolarHBondContact CB-OH 3.29Å; E276-K317 WeakPolarHBondContact O-CA 3.39Å; E276-S318 PolarHBondContact N-O 2.84Å; E276-S318 VanDerWaalsContact N-O 3.1Å; E276-S318 PolarHBondContact O-N 3.47Å
277D93.3Very high95.1Very high94 Ų9442.3 Ų42.350%0.50320%0.204SC..EExtended strand (participates in β ladder)trans-127.4141.9174.956.6-109000112.6H316 K317D277-H316 WeakPolarHBondContact CA-O 3.35Å; D277-K317 HydrophobicContact CB-CB 4.07Å; D277-K317 HydrophobicContact CB-CD 3.67Å; D277-K317 HydrophobicContact CB-CG 3.82Å; D277-K317 WeakPolarHBondContact OD1-CE 3.18Å; D277-K317 IonicContact OD1-NZ 3.29Å; D277-K317 PolarHBondContact OD1-NZ 2.95Å
278Y93.1Very high95Very high32 Ų3243.9 Ų43.913%0.12522%0.221CC..EExtended strand (participates in β ladder)trans-134.9130-174.8-50.8-86.9000109.5L19 F29 C30 E276 M280 H316L19-Y278 HydrophobicContact CD1-CD1 4.41Å; L19-Y278 HydrophobicContact CD1-CE1 3.89Å; L19-Y278 HydrophobicContact CD2-CD1 3.65Å; L19-Y278 HydrophobicContact CD2-CE1 3.65Å; L19-Y278 HydrophobicContact CG-CE1 4.26Å; F29-Y278 PolarHBondContact N-OH 3.35Å; F29-Y278 VanDerWaalsContact N-OH 3.08Å; F29-Y278 WeakPolarHBondContact O-CE2 3.22Å; F29-Y278 PolarHBondContact O-OH 3.2Å; C30-Y278 HydrophobicContact CB-CE2 4.07Å; E276-Y278 HydrophobicContact CB-CE2 3.69Å; E276-Y278 WeakPolarHBondContact CB-OH 3.29Å; Y278-M280 HydrophobicContact CG-SD 4.39Å; Y278-M280 PolarHBondContact O-N 3.49Å; Y278-H316 PolarHBondContact N-O 3.34Å; Y278-H316 PolarHBondContact O-N 2.92Å
279D92.6Very high95Very high65 Ų6543.9 Ų43.935%0.34822%0.22SC..EExtended strand (participates in β ladder)trans-77.2106.8153.3-161.8-38.9000107.6E281 K313D279-E281 PolarHBondContact O-N 3.18Å; D279-E281 PolarHBondContact OD1-N 3.31Å; D279-K313 IonicContact OD2-NZ 3.19Å; D279-K313 PolarHBondContact OD2-NZ 2.94Å
280M94.6Very high94.9Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-75.9-9.3-170.6-67.4-64.6-58.300112.5L15 I35 Y278 S282 V283 L284 F314 H316L15-M280 HydrophobicContact CD1-CE 3.98Å; I35-M280 HydrophobicContact CD1-CE 3.99Å; I35-M280 HydrophobicContact CD1-SD 4.31Å; I35-M280 HydrophobicContact CG2-CE 4.01Å; Y278-M280 HydrophobicContact CG-SD 4.39Å; Y278-M280 PolarHBondContact O-N 3.49Å; M280-S282 PolarHBondContact O-N 2.87Å; M280-V283 HydrophobicContact CE-CB 4.39Å; M280-V283 HydrophobicContact CE-CG1 4.18Å; M280-V283 PolarHBondContact O-N 3.1Å; M280-L284 HydrophobicContact CB-CD1 3.82Å; M280-L284 HydrophobicContact CB-CG 4.2Å; M280-L284 HydrophobicContact CE-CD2 4.15Å; M280-L284 HydrophobicContact CE-CG 4.15Å; M280-L284 VanDerWaalsContact O-CB 3.24Å; M280-L284 WeakPolarHBondContact O-CB 3.45Å; M280-L284 WeakPolarHBondContact O-CD1 3.46Å; M280-L284 WeakPolarHBondContact O-CG 3.19Å; M280-L284 PolarHBondContact O-N 2.85Å; M280-F314 HydrophobicContact CB-CB 4.16Å; M280-F314 HydrophobicContact CB-CD1 3.43Å; M280-F314 VanDerWaalsContact CB-CD1 3.43Å; M280-F314 HydrophobicContact CB-CE1 3.81Å; M280-F314 HydrophobicContact CB-CG 3.79Å; M280-F314 HydrophobicContact CB-CZ 4.49Å; M280-F314 WeakPolarHBondContact CB-O 3.28Å; M280-F314 HydrophobicContact CG-CD1 3.91Å; M280-F314 HydrophobicContact CG-CD2 4.43Å; M280-F314 HydrophobicContact CG-CE1 3.84Å; M280-F314 HydrophobicContact CG-CE2 4.37Å; M280-F314 HydrophobicContact CG-CG 4.18Å; M280-F314 HydrophobicContact CG-CZ 4.07Å; M280-F314 PolarHBondContact N-O 2.89Å; M280-H316 HydrophobicContact CG-CB 3.73Å; M280-H316 HydrophobicContact SD-CB 3.94Å
281E94.4Very high94.9Very high54 Ų5447 Ų4725%0.25224%0.239SC..Hα-helixtrans-57.4-52.8-177.6178.9175.7173.900112D279 V283 L284 R285 F293D279-E281 PolarHBondContact O-N 3.18Å; D279-E281 PolarHBondContact OD1-N 3.31Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.77Å; E281-L284 PolarHBondContact O-N 2.91Å; E281-R285 HydrophobicContact CG-CG 4.42Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 VanDerWaalsContact O-CG 3.28Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 2.95Å; E281-R285 IonicContact OE1-CZ 3.8Å; E281-R285 IonicContact OE1-NE 2.64Å; E281-R285 PolarHBondContact OE1-NE 2.68Å; E281-R285 IonicContact OE1-NH2 3.11Å; E281-R285 PolarHBondContact OE1-NH2 3Å; E281-F293 HydrophobicContact CB-CD1 4.01Å; E281-F293 HydrophobicContact CB-CE1 3.91Å; E281-F293 HydrophobicContact CB-CZ 4.44Å; E281-F293 HydrophobicContact CG-CB 4.25Å; E281-F293 HydrophobicContact CG-CD1 3.66Å; E281-F293 HydrophobicContact CG-CD2 4.42Å; E281-F293 HydrophobicContact CG-CE1 4.06Å; E281-F293 HydrophobicContact CG-CG 3.88Å
282S92.6Very high95Very high69 Ų6943.3 Ų43.348%0.48322%0.223SC..Hα-helixtrans-62.8-41.9-177.959.90000111.8M280 H286M280-S282 PolarHBondContact O-N 2.87Å; S282-H286 PolarHBondContact O-N 3.45Å; S282-H286 PolarHBondContact O-ND1 3.17Å
283V94.3Very high95.1Very high13 Ų1343.4 Ų43.48%0.07922%0.223CC..Hα-helixtrans-64.3-43.8178.7-178.50000111L15 I18 L19 M280 E281 H286 L287L15-V283 HydrophobicContact CD1-CG1 3.43Å; L15-V283 VanDerWaalsContact CD1-CG1 3.43Å; I18-V283 HydrophobicContact CG2-CG1 4.07Å; L19-V283 HydrophobicContact CD2-CG1 4.25Å; L19-V283 HydrophobicContact CD2-CG2 3.91Å; M280-V283 HydrophobicContact CE-CB 4.39Å; M280-V283 HydrophobicContact CE-CG1 4.18Å; M280-V283 PolarHBondContact O-N 3.1Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.77Å; V283-H286 WeakPolarHBondContact O-CB 3.45Å; V283-H286 PolarHBondContact O-N 3.48Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 PolarHBondContact O-N 3Å; V283-L287 VanDerWaalsContact O-N 3.15Å
284L96.3Very high95.1Very high0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-77.2-31.9-177.3-67.1173.1000112.9L39 M280 E281 H286 L287 G288 I289 F293 F314L39-L284 HydrophobicContact CD1-CD1 4.01Å; L39-L284 HydrophobicContact CD1-CD2 3.67Å; L39-L284 HydrophobicContact CD2-CD1 3.79Å; L39-L284 HydrophobicContact CG-CD1 4.46Å; M280-L284 HydrophobicContact CB-CD1 3.82Å; M280-L284 HydrophobicContact CB-CG 4.2Å; M280-L284 HydrophobicContact CE-CD2 4.15Å; M280-L284 HydrophobicContact CE-CG 4.15Å; M280-L284 VanDerWaalsContact O-CB 3.24Å; M280-L284 WeakPolarHBondContact O-CB 3.45Å; M280-L284 WeakPolarHBondContact O-CD1 3.46Å; M280-L284 WeakPolarHBondContact O-CG 3.19Å; M280-L284 PolarHBondContact O-N 2.85Å; E281-L284 PolarHBondContact O-N 2.91Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.93Å; L284-L287 HydrophobicContact CD2-CD1 4.07Å; L284-L287 CarbonylContact O-C 3.55Å; L284-L287 WeakPolarHBondContact O-CA 3.36Å; L284-L287 PolarHBondContact O-N 3.45Å; L284-G288 PolarHBondContact O-N 3.17Å; L284-G288 VanDerWaalsContact O-N 3.12Å; L284-I289 HydrophobicContact CB-CB 4.19Å; L284-I289 HydrophobicContact CB-CD1 4.36Å; L284-I289 HydrophobicContact CD2-CD1 4.03Å; L284-I289 PolarHBondContact O-N 3.47Å; L284-F293 HydrophobicContact CB-CE2 3.89Å; L284-F293 HydrophobicContact CB-CZ 4.21Å; L284-F293 HydrophobicContact CD1-CE2 4.16Å; L284-F293 HydrophobicContact CD1-CZ 3.77Å; L284-F314 HydrophobicContact CD1-CD1 3.37Å; L284-F314 HydrophobicContact CD1-CE1 3.72Å
285R96.1Very high95Very high69 Ų6946.1 Ų46.126%0.2624%0.238SC..Hα-helixtrans-59.7-42.3168.5-74.5-179.9-177.4-735.1111E281 L287 G288 I289 V290 F293E281-R285 HydrophobicContact CG-CG 4.42Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 VanDerWaalsContact O-CG 3.28Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 PolarHBondContact O-N 2.95Å; E281-R285 IonicContact OE1-CZ 3.8Å; E281-R285 IonicContact OE1-NE 2.64Å; E281-R285 PolarHBondContact OE1-NE 2.68Å; E281-R285 IonicContact OE1-NH2 3.11Å; E281-R285 PolarHBondContact OE1-NH2 3Å; R285-L287 PolarHBondContact O-N 3.09Å; R285-G288 PolarHBondContact O-N 3.35Å; R285-I289 WeakPolarHBondContact CA-O 3.47Å; R285-V290 PolarHBondContact NH1-O 2.84Å; R285-F293 HydrophobicContact CG-CD2 4.48Å; R285-F293 PolarHBondContact NH2-O 2.81Å
286H94.5Very high94.9Very high153 Ų15344.9 Ų44.971%0.70825%0.247SC*.Hα-helixtrans-62.7-29.7172.8-8187.3000113.1I18 S282 V283 L284 G288I18-H286 HydrophobicContact CD1-CB 4.36Å; S282-H286 PolarHBondContact O-N 3.45Å; S282-H286 PolarHBondContact O-ND1 3.17Å; V283-H286 WeakPolarHBondContact O-CB 3.45Å; V283-H286 PolarHBondContact O-N 3.48Å; L284-H286 VanDerWaalsContact C-N 3.3Å; L284-H286 PolarHBondContact O-N 2.93Å; H286-G288 VanDerWaalsContact C-N 3.28Å
287L95.5Very high94.9Very high11 Ų1149.6 Ų49.66%0.05827%0.267CS..THydrogen-bonded Turntrans-81.2-3.5174.4-72.2166.3000114.1F11 R14 L15 I18 A57 V283 L284 R285F11-L287 HydrophobicContact CE2-CD1 3.88Å; R14-L287 HydrophobicContact CB-CD2 4.14Å; L15-L287 HydrophobicContact CD1-CD1 4.45Å; I18-L287 HydrophobicContact CD1-CD1 4.12Å; I18-L287 HydrophobicContact CD1-CD2 3.37Å; I18-L287 HydrophobicContact CD1-CG 3.44Å; I18-L287 VanDerWaalsContact CD1-CG 3.44Å; A57-L287 HydrophobicContact CB-CB 4.29Å; A57-L287 WeakPolarHBondContact CB-O 3.38Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 PolarHBondContact O-N 3Å; V283-L287 VanDerWaalsContact O-N 3.15Å; L284-L287 HydrophobicContact CD2-CD1 4.07Å; L284-L287 CarbonylContact O-C 3.55Å; L284-L287 WeakPolarHBondContact O-CA 3.36Å; L284-L287 PolarHBondContact O-N 3.45Å; R285-L287 PolarHBondContact O-N 3.09Å
288G96.8Very high95.1Very high34 Ų3445.5 Ų45.535%0.35125%0.246SC..THydrogen-bonded Turntrans100.80.817700000115.2Q53 L284 R285 H286 V290Q53-G288 WeakPolarHBondContact CB-O 3.34Å; Q53-G288 WeakPolarHBondContact CG-O 3.42Å; L284-G288 PolarHBondContact O-N 3.17Å; L284-G288 VanDerWaalsContact O-N 3.12Å; R285-G288 PolarHBondContact O-N 3.35Å; H286-G288 VanDerWaalsContact C-N 3.28Å; G288-V290 PolarHBondContact O-N 2.87Å
289I97.6Very high95.3Very high1 Ų146.6 Ų46.61%0.00525%0.254CS..  trans-85.291.1174.5-48.1-176.2000108.5L39 M54 A57 L284 R285 A292 F293L39-I289 HydrophobicContact CD1-CD1 4.22Å; M54-I289 HydrophobicContact CG-CD1 4.29Å; M54-I289 HydrophobicContact CG-CG2 3.86Å; A57-I289 HydrophobicContact CB-CD1 3.71Å; A57-I289 HydrophobicContact CB-CG1 3.42Å; A57-I289 VanDerWaalsContact CB-CG1 3.42Å; L284-I289 HydrophobicContact CB-CB 4.19Å; L284-I289 HydrophobicContact CB-CD1 4.36Å; L284-I289 HydrophobicContact CD2-CD1 4.03Å; L284-I289 PolarHBondContact O-N 3.47Å; R285-I289 WeakPolarHBondContact CA-O 3.47Å; I289-A292 HydrophobicContact CG2-CB 3.78Å; I289-F293 HydrophobicContact CB-CE2 4.42Å; I289-F293 HydrophobicContact CG2-CD2 4.35Å; I289-F293 HydrophobicContact CG2-CE2 3.97Å; I289-F293 WeakPolarHBondContact O-CD2 3.33Å
290V97.5Very high95.5Very high44 Ų4443.7 Ų43.727%0.26724%0.239SC..  trans-109.6-46-173.1179.40000111.5R285 G288 A292 F293 Q294R285-V290 PolarHBondContact NH1-O 2.84Å; G288-V290 PolarHBondContact O-N 2.87Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-A292 PolarHBondContact O-N 2.97Å; V290-F293 PolarHBondContact O-N 2.76Å; V290-Q294 WeakPolarHBondContact O-CG 3.4Å
291D97.6Very high95.6Very high21 Ų2146 Ų4611%0.11226%0.255CS..G310 helixtrans-68.1-36.9-171.6-66.97.3000111N49 T50 Q53 F293 Q294 K297 A298N49-D291 PolarHBondContact ND2-OD2 3.29Å; T50-D291 WeakPolarHBondContact OG1-CB 3.2Å; Q53-D291 PolarHBondContact NE2-OD1 3.1Å; Q53-D291 PolarHBondContact NE2-OD2 3.47Å; D291-F293 PolarHBondContact O-N 3.05Å; D291-F293 VanDerWaalsContact O-N 3.07Å; D291-Q294 PolarHBondContact O-N 2.96Å; D291-K297 HydrophobicContact CB-CB 4.43Å; D291-A298 VanDerWaalsContact O-CA 3.25Å; D291-A298 WeakPolarHBondContact O-CA 3.36Å; D291-A298 VanDerWaalsContact O-CB 3.23Å; D291-A298 WeakPolarHBondContact O-CB 3.45Å; D291-A298 PolarHBondContact O-N 2.84Å
292A97.2Very high95.6Very high0 Ų044.6 Ų44.60%025%0.252CS..G310 helixtrans-55.2-30.8179.400000113T50 I289 V290 L311T50-A292 HydrophobicContact CG2-CB 3.88Å; I289-A292 HydrophobicContact CG2-CB 3.78Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-A292 PolarHBondContact O-N 2.97Å; A292-L311 WeakPolarHBondContact O-CB 3.46Å; A292-L311 PolarHBondContact O-N 3.49Å
293F96.5Very high95.8Very high14 Ų1441.3 Ų41.36%0.06123%0.229CC..G310 helixtrans-98.98.9-179.5-60.5-85000113.1E281 L284 R285 I289 V290 D291 L311 F314E281-F293 HydrophobicContact CB-CD1 4.01Å; E281-F293 HydrophobicContact CB-CE1 3.91Å; E281-F293 HydrophobicContact CB-CZ 4.44Å; E281-F293 HydrophobicContact CG-CB 4.25Å; E281-F293 HydrophobicContact CG-CD1 3.66Å; E281-F293 HydrophobicContact CG-CD2 4.42Å; E281-F293 HydrophobicContact CG-CE1 4.06Å; E281-F293 HydrophobicContact CG-CG 3.88Å; L284-F293 HydrophobicContact CB-CE2 3.89Å; L284-F293 HydrophobicContact CB-CZ 4.21Å; L284-F293 HydrophobicContact CD1-CE2 4.16Å; L284-F293 HydrophobicContact CD1-CZ 3.77Å; R285-F293 HydrophobicContact CG-CD2 4.48Å; R285-F293 PolarHBondContact NH2-O 2.81Å; I289-F293 HydrophobicContact CB-CE2 4.42Å; I289-F293 HydrophobicContact CG2-CD2 4.35Å; I289-F293 HydrophobicContact CG2-CE2 3.97Å; I289-F293 WeakPolarHBondContact O-CD2 3.33Å; V290-F293 PolarHBondContact O-N 2.76Å; D291-F293 PolarHBondContact O-N 3.05Å; D291-F293 VanDerWaalsContact O-N 3.07Å; F293-L311 HydrophobicContact CD1-CB 4.33Å; F293-L311 HydrophobicContact CD1-CD2 4.35Å; F293-L311 HydrophobicContact CD1-CG 4.21Å; F293-L311 WeakPolarHBondContact CD1-O 3.24Å; F293-L311 HydrophobicContact CE1-CB 4.41Å; F293-L311 HydrophobicContact CE1-CD2 3.65Å; F293-L311 HydrophobicContact CE1-CG 3.84Å; F293-L311 HydrophobicContact CZ-CD2 3.75Å; F293-L311 HydrophobicContact CZ-CG 4.45Å; F293-F314 HydrophobicContact CE1-CB 4.25Å; F293-F314 HydrophobicContact CZ-CB 4.45Å
294Q94.9Very high95.9Very high53 Ų5340.7 Ų40.725%0.24823%0.226CC..SBendtrans-116.1115.5-178.5-73-175.5-1.300110.7V290 D291 G296 K297 A298V290-Q294 WeakPolarHBondContact O-CG 3.4Å; D291-Q294 PolarHBondContact O-N 2.96Å; Q294-G296 PolarHBondContact O-N 2.97Å; Q294-K297 HydrophobicContact CB-CB 4.08Å; Q294-K297 HydrophobicContact CB-CG 4.45Å; Q294-K297 PolarHBondContact O-N 2.68Å; Q294-K297 VanDerWaalsContact O-N 3.12Å; Q294-K297 VanDerWaalsContact OE1-CD 3.28Å; Q294-A298 PolarHBondContact O-N 2.95Å
295Q91.5Very high95.6Very high131 Ų13144.3 Ų44.361%0.61226%0.256SS*.THydrogen-bonded Turntrans-57.4135.6172.6-171.6177.9-4.600110.2K297 D308Q295-K297 PolarHBondContact O-N 3.33Å; Q295-D308 HydrophobicContact CG-CB 4.03Å
296G91Very high95.2Very high57 Ų5745.4 Ų45.459%0.58826%0.264SS*.THydrogen-bonded Turntrans78.1-8.2-177.600000115.6Q294Q294-G296 PolarHBondContact O-N 2.97Å
297K95.1Very high94.6Very high126 Ų12648.8 Ų48.855%0.54827%0.27SS..THydrogen-bonded Turntrans-113.2-30.5170.9-63.7-162-163.6159.60113.8D291 Q294 Q295 D299D291-K297 HydrophobicContact CB-CB 4.43Å; Q294-K297 HydrophobicContact CB-CB 4.08Å; Q294-K297 HydrophobicContact CB-CG 4.45Å; Q294-K297 PolarHBondContact O-N 2.68Å; Q294-K297 VanDerWaalsContact O-N 3.12Å; Q294-K297 VanDerWaalsContact OE1-CD 3.28Å; Q295-K297 PolarHBondContact O-N 3.33Å; K297-D299 PolarHBondContact O-N 3.09Å; K297-D299 VanDerWaalsContact O-N 3.16Å
298A96.9Very high94.3Very high8 Ų851.9 Ų51.97%0.06629%0.287CS..  trans-58116.8175.800000110D291 Q294 L300 L309 C310D291-A298 VanDerWaalsContact O-CA 3.25Å; D291-A298 WeakPolarHBondContact O-CA 3.36Å; D291-A298 VanDerWaalsContact O-CB 3.23Å; D291-A298 WeakPolarHBondContact O-CB 3.45Å; D291-A298 PolarHBondContact O-N 2.84Å; Q294-A298 PolarHBondContact O-N 2.95Å; A298-L300 HydrophobicContact CB-CG 4.39Å; A298-L300 PolarHBondContact O-N 3.12Å; A298-L309 WeakPolarHBondContact CB-O 3.47Å; A298-C310 HydrophobicContact CB-CB 3.75Å
299D97.1Very high94.2Very high55 Ų5550.4 Ų50.429%0.29427%0.271SS..  trans-95.485.7170.8-175.7-2.6000108.8A46 K47 T50 K297 S301A46-D299 CarbonylContact C-O 3.54Å; A46-D299 VanDerWaalsContact CA-O 3.25Å; A46-D299 WeakPolarHBondContact CA-O 3.37Å; K47-D299 VanDerWaalsContact CB-OD2 3.31Å; K47-D299 WeakPolarHBondContact CB-OD2 3.48Å; K47-D299 PolarHBondContact N-O 3.48Å; T50-D299 PolarHBondContact OG1-N 3.43Å; K297-D299 PolarHBondContact O-N 3.09Å; K297-D299 VanDerWaalsContact O-N 3.16Å; D299-S301 WeakPolarHBondContact OD1-CB 3Å; D299-S301 PolarHBondContact OD1-N 3.29Å; D299-S301 PolarHBondContact OD1-OG 2.96Å
300L97.2Very high94.1Very high4 Ų451 Ų512%0.02128%0.275CS..  trans-101.930.9173.4-61.4-179000111.9V42 G45 A46 T50 L159 A298 A302 M303 S304 L309V42-L300 HydrophobicContact CG1-CD2 4.04Å; G45-L300 CarbonylContact O-C 3.59Å; G45-L300 WeakPolarHBondContact O-CA 3.38Å; A46-L300 HydrophobicContact CB-CD2 3.91Å; T50-L300 HydrophobicContact CG2-CD2 4.4Å; L159-L300 HydrophobicContact CD2-CD1 3.96Å; A298-L300 HydrophobicContact CB-CG 4.39Å; A298-L300 PolarHBondContact O-N 3.12Å; L300-A302 PolarHBondContact O-N 3.27Å; L300-M303 HydrophobicContact CB-CB 4.28Å; L300-M303 HydrophobicContact CD1-CE 4.4Å; L300-M303 HydrophobicContact CD2-CE 4.38Å; L300-M303 WeakPolarHBondContact O-CA 3.33Å; L300-M303 VanDerWaalsContact O-CB 3.24Å; L300-M303 WeakPolarHBondContact O-CB 3.4Å; L300-M303 PolarHBondContact O-N 3.31Å; L300-S304 PolarHBondContact O-N 2.9Å; L300-S304 VanDerWaalsContact O-N 3.14Å; L300-L309 HydrophobicContact CB-CD2 4.15Å; L300-L309 HydrophobicContact CB-CG 4.43Å; L300-L309 HydrophobicContact CD1-CD2 4.35Å; L300-L309 HydrophobicContact CD1-CG 4.1Å
301S96.3Very high94.1Very high50 Ų5049 Ų4935%0.3526%0.263SS..THydrogen-bonded Turntrans-68.1-14.7-174.662.20000114.9K47 D299 M303 S304K47-S301 WeakPolarHBondContact CD-OG 3.41Å; D299-S301 WeakPolarHBondContact OD1-CB 3Å; D299-S301 PolarHBondContact OD1-N 3.29Å; D299-S301 PolarHBondContact OD1-OG 2.96Å; S301-M303 VanDerWaalsContact C-N 3.34Å; S301-S304 WeakPolarHBondContact CA-O 3.26Å
302A96Very high94Very high23 Ų2349.6 Ų49.619%0.1927%0.269CS..THydrogen-bonded Turntrans-84.1-9.9168.500000112.9G45 K47 L300G45-A302 CarbonylContact O-C 3.5Å; G45-A302 WeakPolarHBondContact O-CA 3.18Å; G45-A302 WeakPolarHBondContact O-CB 3.41Å; G45-A302 PolarHBondContact O-N 2.95Å; G45-A302 VanDerWaalsContact O-N 3.11Å; K47-A302 HydrophobicContact CG-CB 4.25Å; L300-A302 PolarHBondContact O-N 3.27Å
303M96.8Very high94Very high0 Ų051 Ų510%028%0.275CS..THydrogen-bonded Turntrans-95.3-45.6175.4-165.6-178-62.100112V42 G45 L92 F100 L101 F104 L116 L159 L300 S301 L309V42-M303 HydrophobicContact CG1-CE 4.31Å; G45-M303 PolarHBondContact O-N 3.49Å; L92-M303 HydrophobicContact CD1-CE 4.4Å; F100-M303 WeakPolarHBondContact CA-O 3.39Å; F100-M303 HydrophobicContact CD1-CG 4Å; F100-M303 HydrophobicContact CD1-SD 4.43Å; F100-M303 HydrophobicContact CE1-CG 4.31Å; F100-M303 HydrophobicContact CE1-SD 4.18Å; L101-M303 PolarHBondContact N-O 2.98Å; F104-M303 HydrophobicContact CD1-CG 3.7Å; F104-M303 HydrophobicContact CD2-CB 4.3Å; F104-M303 HydrophobicContact CD2-CG 4.15Å; F104-M303 HydrophobicContact CE1-CE 4.29Å; F104-M303 HydrophobicContact CE1-CG 3.55Å; F104-M303 HydrophobicContact CE1-SD 4.14Å; F104-M303 HydrophobicContact CE2-CB 4.36Å; F104-M303 HydrophobicContact CE2-CE 4.01Å; F104-M303 HydrophobicContact CE2-CG 4.01Å; F104-M303 HydrophobicContact CG-CB 4.4Å; F104-M303 HydrophobicContact CG-CG 4.01Å; F104-M303 HydrophobicContact CZ-CE 3.63Å; F104-M303 HydrophobicContact CZ-CG 3.72Å; F104-M303 HydrophobicContact CZ-SD 4.09Å; L116-M303 HydrophobicContact CD1-SD 4.35Å; L159-M303 HydrophobicContact CD1-SD 4.01Å; L159-M303 HydrophobicContact CD2-CE 3.89Å; L159-M303 HydrophobicContact CD2-SD 3.59Å; L159-M303 VanDerWaalsContact CD2-SD 3.59Å; L159-M303 HydrophobicContact CG-SD 4.47Å; L300-M303 HydrophobicContact CB-CB 4.28Å; L300-M303 HydrophobicContact CD1-CE 4.4Å; L300-M303 HydrophobicContact CD2-CE 4.38Å; L300-M303 WeakPolarHBondContact O-CA 3.33Å; L300-M303 VanDerWaalsContact O-CB 3.24Å; L300-M303 WeakPolarHBondContact O-CB 3.4Å; L300-M303 PolarHBondContact O-N 3.31Å; S301-M303 VanDerWaalsContact C-N 3.34Å; M303-L309 HydrophobicContact CB-CD2 4.35Å; M303-L309 HydrophobicContact CG-CD2 4.32Å; M303-L309 HydrophobicContact SD-CD2 3.95Å
304S95.2Very high94Very high1 Ų150.3 Ų50.31%0.00727%0.272CS..BIsolated β-bridgetrans-150.1152.7-176.5-175.40000110.7Q99 L300 S301 E306Q99-S304 WeakPolarHBondContact O-CA 3.23Å; Q99-S304 WeakPolarHBondContact O-CB 3.34Å; Q99-S304 PolarHBondContact O-OG 3.4Å; L300-S304 PolarHBondContact O-N 2.9Å; L300-S304 VanDerWaalsContact O-N 3.14Å; S301-S304 WeakPolarHBondContact CA-O 3.26Å; S304-E306 PolarHBondContact O-N 2.77Å; S304-E306 PolarHBondContact OG-N 3.02Å
305A89.9Confident94.1Very high76 Ų7648.2 Ų48.263%0.62826%0.263SS*.SBendtrans-74.8-8.4171.700000113.3R307A305-R307 PolarHBondContact O-N 3Å
306E88.4Confident94.4Very high92 Ų9242 Ų4243%0.4323%0.233SC..  trans-67.7122.3179.2-17163.7-153.100111S304 D308 L309S304-E306 PolarHBondContact O-N 2.77Å; S304-E306 PolarHBondContact OG-N 3.02Å; E306-D308 PolarHBondContact O-N 2.74Å; E306-L309 HydrophobicContact CB-CB 4.27Å; E306-L309 HydrophobicContact CG-CB 4.48Å
307R82.2Confident94.6Very high223 Ų22340.1 Ų40.184%0.84221%0.209SC*.THydrogen-bonded Turntrans-73.3-26.2-175.2-68.3-171.8178.6-166.9-0.3114.1A305A305-R307 PolarHBondContact O-N 3Å
308D88Confident94.6Very high77 Ų7734.1 Ų34.141%0.41218%0.183SC..THydrogen-bonded Turntrans-97.611-176.8-71.4-20.3000112.9Q295 E306 C310Q295-D308 HydrophobicContact CG-CB 4.03Å; E306-D308 PolarHBondContact O-N 2.74Å; D308-C310 PolarHBondContact O-N 3.12Å
309L95.4Very high94.5Very high2 Ų234.7 Ų34.71%0.0118%0.184CC..  trans-70.9115.8177.3-17567.5000110.5F100 R158 L159 A298 L300 M303 E306F100-L309 HydrophobicContact CE1-CD1 4.4Å; F100-L309 HydrophobicContact CE1-CD2 3.88Å; R158-L309 HydrophobicContact CB-CD1 3.99Å; L159-L309 HydrophobicContact CB-CD1 4.08Å; A298-L309 WeakPolarHBondContact CB-O 3.47Å; L300-L309 HydrophobicContact CB-CD2 4.15Å; L300-L309 HydrophobicContact CB-CG 4.43Å; L300-L309 HydrophobicContact CD1-CD2 4.35Å; L300-L309 HydrophobicContact CD1-CG 4.1Å; M303-L309 HydrophobicContact CB-CD2 4.35Å; M303-L309 HydrophobicContact CG-CD2 4.32Å; M303-L309 HydrophobicContact SD-CD2 3.95Å; E306-L309 HydrophobicContact CB-CB 4.27Å; E306-L309 HydrophobicContact CG-CB 4.48Å
310C95.9Very high94.4Very high13 Ų1332.1 Ų32.19%0.08817%0.17CC..  trans-124.6162168.865.80000110.6L159 A298 D308 S312L159-C310 VanDerWaalsContact CB-O 3.29Å; L159-C310 WeakPolarHBondContact CB-O 3.32Å; A298-C310 HydrophobicContact CB-CB 3.75Å; D308-C310 PolarHBondContact O-N 3.12Å; C310-S312 PolarHBondContact O-N 3.32Å
311L97Very high94.2Very high2 Ų232.8 Ų32.81%0.0117%0.173CC..  trans-72.294.5168.3-176.960.1000108.5L159 L161 A292 F293 K313 F314L159-L311 HydrophobicContact CD2-CD1 4.15Å; L159-L311 HydrophobicContact CG-CD1 4.22Å; L161-L311 HydrophobicContact CB-CD1 3.73Å; A292-L311 WeakPolarHBondContact O-CB 3.46Å; A292-L311 PolarHBondContact O-N 3.49Å; F293-L311 HydrophobicContact CD1-CB 4.33Å; F293-L311 HydrophobicContact CD1-CD2 4.35Å; F293-L311 HydrophobicContact CD1-CG 4.21Å; F293-L311 WeakPolarHBondContact CD1-O 3.24Å; F293-L311 HydrophobicContact CE1-CB 4.41Å; F293-L311 HydrophobicContact CE1-CD2 3.65Å; F293-L311 HydrophobicContact CE1-CG 3.84Å; F293-L311 HydrophobicContact CZ-CD2 3.75Å; F293-L311 HydrophobicContact CZ-CG 4.45Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 WeakPolarHBondContact CD1-O 3.43Å; L311-K313 PolarHBondContact O-N 3.44Å; L311-F314 HydrophobicContact CD2-CB 4.19Å
312S96.3Very high94.1Very high34 Ų3430.5 Ų30.524%0.23816%0.157CC..  trans-68.8-31-177.1-47.50000112.7R158 L159 C310R158-S312 PolarHBondContact N-OG 3.35Å; L159-S312 PolarHBondContact N-OG 3.46Å; L159-S312 WeakPolarHBondContact O-CB 3.42Å; L159-S312 PolarHBondContact O-N 2.96Å; C310-S312 PolarHBondContact O-N 3.32Å
313K95.7Very high94Very high29 Ų2929.8 Ų29.813%0.12615%0.15CC..EExtended strand (participates in β ladder)trans-154.7142.1178.6-163178.1-169.373.30111.3L148 S152 I153 L159 V160 L161 D279 L311 V315L148-K313 HydrophobicContact CD2-CD 3.96Å; S152-K313 WeakPolarHBondContact O-CD 3.4Å; S152-K313 WeakPolarHBondContact O-CE 3.05Å; S152-K313 PolarHBondContact O-NZ 3.16Å; I153-K313 HydrophobicContact CG2-CD 4.21Å; L159-K313 PolarHBondContact O-N 2.98Å; V160-K313 WeakPolarHBondContact CA-O 3.31Å; V160-K313 HydrophobicContact CG1-CB 4.3Å; V160-K313 HydrophobicContact CG2-CB 4.44Å; L161-K313 PolarHBondContact N-O 2.86Å; D279-K313 IonicContact OD2-NZ 3.19Å; D279-K313 PolarHBondContact OD2-NZ 2.94Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 WeakPolarHBondContact CD1-O 3.43Å; L311-K313 PolarHBondContact O-N 3.44Å; K313-V315 HydrophobicContact CD-CG1 4.09Å; K313-V315 HydrophobicContact CG-CG1 4.18Å
314F97.3Very high93.9Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-130.8116.7165.2175.3-158.8000109.7I35 A38 L39 L161 N163 M280 L284 F293 L311 H316I35-F314 HydrophobicContact CB-CZ 4.43Å; I35-F314 HydrophobicContact CG1-CZ 4.34Å; I35-F314 HydrophobicContact CG2-CE1 3.98Å; I35-F314 HydrophobicContact CG2-CZ 4Å; A38-F314 HydrophobicContact CB-CE2 4.46Å; A38-F314 HydrophobicContact CB-CZ 4.3Å; L39-F314 HydrophobicContact CD1-CE1 4.12Å; L39-F314 HydrophobicContact CD2-CD1 3.87Å; L39-F314 HydrophobicContact CD2-CE1 3.78Å; L39-F314 HydrophobicContact CG-CD1 4.39Å; L39-F314 HydrophobicContact CG-CE1 3.78Å; L161-F314 HydrophobicContact CB-CB 4.18Å; L161-F314 HydrophobicContact CB-CD2 3.82Å; L161-F314 HydrophobicContact CB-CG 4.12Å; L161-F314 HydrophobicContact CD2-CD1 4Å; L161-F314 HydrophobicContact CD2-CD2 3.63Å; L161-F314 HydrophobicContact CD2-CE1 4.12Å; L161-F314 HydrophobicContact CD2-CE2 3.77Å; L161-F314 HydrophobicContact CD2-CG 3.79Å; L161-F314 HydrophobicContact CD2-CZ 4.02Å; L161-F314 HydrophobicContact CG-CD2 3.59Å; L161-F314 HydrophobicContact CG-CE2 3.86Å; L161-F314 HydrophobicContact CG-CG 4.14Å; L161-F314 WeakPolarHBondContact O-CA 3.42Å; L161-F314 WeakPolarHBondContact O-CD2 3.16Å; N163-F314 HydrophobicContact CB-CE2 3.78Å; N163-F314 HydrophobicContact CB-CZ 4.41Å; M280-F314 HydrophobicContact CB-CB 4.16Å; M280-F314 HydrophobicContact CB-CD1 3.43Å; M280-F314 VanDerWaalsContact CB-CD1 3.43Å; M280-F314 HydrophobicContact CB-CE1 3.81Å; M280-F314 HydrophobicContact CB-CG 3.79Å; M280-F314 HydrophobicContact CB-CZ 4.49Å; M280-F314 WeakPolarHBondContact CB-O 3.28Å; M280-F314 HydrophobicContact CG-CD1 3.91Å; M280-F314 HydrophobicContact CG-CD2 4.43Å; M280-F314 HydrophobicContact CG-CE1 3.84Å; M280-F314 HydrophobicContact CG-CE2 4.37Å; M280-F314 HydrophobicContact CG-CG 4.18Å; M280-F314 HydrophobicContact CG-CZ 4.07Å; M280-F314 PolarHBondContact N-O 2.89Å; L284-F314 HydrophobicContact CD1-CD1 3.37Å; L284-F314 HydrophobicContact CD1-CE1 3.72Å; F293-F314 HydrophobicContact CE1-CB 4.25Å; F293-F314 HydrophobicContact CZ-CB 4.45Å; L311-F314 HydrophobicContact CD2-CB 4.19Å; F314-H316 HydrophobicContact CE2-CB 4.49Å
315V96.7Very high93.5Very high9 Ų933.2 Ų33.26%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-109.5131.1176.5-75.50000111.1L147 L148 L161 V162 N163 K313L147-V315 HydrophobicContact CD1-CB 4.39Å; L147-V315 HydrophobicContact CD1-CG2 4.36Å; L147-V315 HydrophobicContact CD2-CG2 3.68Å; L147-V315 HydrophobicContact CG-CB 4.33Å; L147-V315 HydrophobicContact CG-CG2 3.88Å; L148-V315 HydrophobicContact CD2-CB 4.43Å; L148-V315 HydrophobicContact CD2-CG1 3.9Å; L148-V315 HydrophobicContact CD2-CG2 3.75Å; L161-V315 PolarHBondContact O-N 2.82Å; L161-V315 VanDerWaalsContact O-N 3.1Å; V162-V315 HydrophobicContact CG2-CG2 4.02Å; N163-V315 PolarHBondContact N-O 3.41Å; K313-V315 HydrophobicContact CD-CG1 4.09Å; K313-V315 HydrophobicContact CG-CG1 4.18Å
316H97Very high92.6Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-117.1127.6170.1-178.566.1000110.2S31 I35 N163 D277 Y278 M280 F314S31-H316 PolarHBondContact N-NE2 2.88Å; I35-H316 HydrophobicContact CD1-CB 4.36Å; I35-H316 HydrophobicContact CG1-CB 4.19Å; N163-H316 CarbonylContact O-C 3.52Å; N163-H316 VanDerWaalsContact O-CA 3.25Å; N163-H316 WeakPolarHBondContact O-CA 3.3Å; N163-H316 PolarHBondContact O-ND1 3.14Å; N163-H316 PolarHBondContact OD1-CE1 2.85Å; N163-H316 VanDerWaalsContact OD1-CE1 3.23Å; N163-H316 PolarHBondContact OD1-ND1 3Å; D277-H316 WeakPolarHBondContact CA-O 3.35Å; Y278-H316 PolarHBondContact N-O 3.34Å; Y278-H316 PolarHBondContact O-N 2.92Å; M280-H316 HydrophobicContact CG-CB 3.73Å; M280-H316 HydrophobicContact SD-CB 3.94Å; F314-H316 HydrophobicContact CE2-CB 4.49Å
317K96.8Very high90.7Very high18 Ų1827.1 Ų27.18%0.07813%0.132CC..EExtended strand (participates in β ladder)trans-133.1130.9172.4-171.4155.9-172.91520110.5I144 E146 L147 N163 A164 I165 Q275 E276 D277I144-K317 HydrophobicContact CD1-CB 4.34Å; I144-K317 HydrophobicContact CD1-CG 4.05Å; I144-K317 HydrophobicContact CG1-CG 4.31Å; I144-K317 HydrophobicContact CG2-CB 4.33Å; I144-K317 HydrophobicContact CG2-CD 3.59Å; I144-K317 HydrophobicContact CG2-CG 3.9Å; E146-K317 PolarHBondContact O-NZ 3.19Å; L147-K317 HydrophobicContact CD1-CB 3.25Å; L147-K317 HydrophobicContact CD1-CD 4.01Å; L147-K317 HydrophobicContact CD1-CG 4.24Å; N163-K317 PolarHBondContact O-N 2.82Å; A164-K317 CarbonylContact C-O 3.58Å; A164-K317 WeakPolarHBondContact CA-O 3.38Å; I165-K317 PolarHBondContact N-O 2.98Å; Q275-K317 VanDerWaalsContact NE2-CE 3.28Å; E276-K317 WeakPolarHBondContact O-CA 3.39Å; D277-K317 HydrophobicContact CB-CB 4.07Å; D277-K317 HydrophobicContact CB-CD 3.67Å; D277-K317 HydrophobicContact CB-CG 3.82Å; D277-K317 WeakPolarHBondContact OD1-CE 3.18Å; D277-K317 IonicContact OD1-NZ 3.29Å; D277-K317 PolarHBondContact OD1-NZ 2.95Å
318S95Very high88.5Confident0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-129.9142.4-175.962.90000110.9F29 C30 I165 Q275 E276F29-S318 WeakPolarHBondContact CD1-OG 3.35Å; F29-S318 WeakPolarHBondContact CE1-OG 3.34Å; F29-S318 PolarHBondContact O-OG 3.2Å; F29-S318 VanDerWaalsContact O-OG 3.08Å; C30-S318 WeakPolarHBondContact CA-OG 3.4Å; I165-S318 CarbonylContact O-C 3.35Å; I165-S318 WeakPolarHBondContact O-CA 3.46Å; Q275-S318 WeakPolarHBondContact CA-O 3.44Å; E276-S318 PolarHBondContact N-O 2.84Å; E276-S318 VanDerWaalsContact N-O 3.1Å; E276-S318 PolarHBondContact O-N 3.47Å
319F94.3Very high86Confident21 Ų2126.3 Ų26.39%0.09215%0.152CC..EExtended strand (participates in β ladder)trans-129.6132.2177.8-173.6-76.2000110.4K143 I144 I165 Y166 F167 K273 L274 Q275 E321K143-F319 HydrophobicContact CB-CG 4.44Å; I144-F319 HydrophobicContact CD1-CB 4.46Å; I144-F319 HydrophobicContact CG1-CB 4.48Å; I165-F319 PolarHBondContact O-N 2.86Å; Y166-F319 HydrophobicContact CD2-CB 4.23Å; Y166-F319 AromaticContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CD1 3.45Å; Y166-F319 VanDerWaalsContact CD2-CD1 3.45Å; Y166-F319 HydrophobicContact CD2-CE1 4.2Å; Y166-F319 HydrophobicContact CD2-CG 4.19Å; Y166-F319 AromaticContact CE2-CD1 3.61Å; Y166-F319 HydrophobicContact CE2-CD1 3.61Å; Y166-F319 AromaticContact CE2-CE1 3.89Å; Y166-F319 HydrophobicContact CE2-CE1 3.89Å; F167-F319 PolarHBondContact N-O 2.87Å; K273-F319 HydrophobicContact CB-CZ 4.45Å; K273-F319 HydrophobicContact CD-CZ 4.38Å; L274-F319 WeakPolarHBondContact O-CA 3.34Å; Q275-F319 HydrophobicContact CB-CD2 3.8Å; Q275-F319 HydrophobicContact CB-CE2 4.34Å; Q275-F319 HydrophobicContact CG-CD2 3.99Å; F319-E321 HydrophobicContact CE1-CB 4.07Å
320V94.6Very high82.9Confident0 Ų027.5 Ų27.50%016%0.162CC..EExtended strand (participates in β ladder)trans-132.1142.7170.759.30000111.3F29 F167 F272 K273 L274 V322 I359F29-V320 HydrophobicContact CD1-CB 4.43Å; F29-V320 HydrophobicContact CD1-CG1 3.81Å; F29-V320 HydrophobicContact CD2-CG1 3.88Å; F29-V320 HydrophobicContact CE1-CB 3.65Å; F29-V320 HydrophobicContact CE1-CG1 3.52Å; F29-V320 HydrophobicContact CE2-CB 3.92Å; F29-V320 HydrophobicContact CE2-CG1 3.54Å; F29-V320 HydrophobicContact CG-CG1 4.01Å; F29-V320 HydrophobicContact CZ-CB 3.36Å; F29-V320 HydrophobicContact CZ-CG1 3.39Å; F29-V320 HydrophobicContact CZ-CG2 4.32Å; F167-V320 HydrophobicContact CD1-CG2 3.98Å; F167-V320 WeakPolarHBondContact O-CA 3.49Å; F272-V320 HydrophobicContact CE2-CG1 4.39Å; K273-V320 WeakPolarHBondContact CA-O 3.37Å; L274-V320 HydrophobicContact CB-CG1 3.84Å; L274-V320 PolarHBondContact N-O 3.12Å; L274-V320 PolarHBondContact O-N 3.3Å; V320-V322 HydrophobicContact CG2-CG2 3.96Å; V320-I359 HydrophobicContact CG2-CD1 4.17Å
321E93.1Very high79.7Confident18 Ų1831.1 Ų31.18%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-121122.2169.6178.4165.7-156.500109.1F167 K273 F319F167-E321 PolarHBondContact O-N 2.73Å; K273-E321 HydrophobicContact CD-CG 4.43Å; K273-E321 WeakPolarHBondContact CE-OE1 3.12Å; K273-E321 HydrophobicContact CG-CB 4.37Å; K273-E321 HydrophobicContact CG-CG 4.12Å; K273-E321 IonicContact NZ-OE1 3.93Å; K273-E321 PolarHBondContact NZ-OE1 2.87Å; K273-E321 IonicContact NZ-OE2 2.8Å; F319-E321 HydrophobicContact CE1-CB 4.07Å
322V94Very high76.4Confident2 Ų235.4 Ų35.41%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-114.9110.8174.9-179.50000107.1W171 M198 L269 K271 F272 V320W171-V322 HydrophobicContact CH2-CG1 4.38Å; W171-V322 HydrophobicContact CZ2-CG1 3.79Å; M198-V322 HydrophobicContact CE-CG1 4.06Å; L269-V322 HydrophobicContact CD2-CG1 4.24Å; K271-V322 WeakPolarHBondContact CA-O 3.44Å; F272-V322 HydrophobicContact CD1-CB 4.2Å; F272-V322 HydrophobicContact CD1-CG1 4.49Å; F272-V322 HydrophobicContact CD2-CB 4.25Å; F272-V322 HydrophobicContact CD2-CG2 4.18Å; F272-V322 HydrophobicContact CE1-CB 3.98Å; F272-V322 HydrophobicContact CE1-CG1 4.08Å; F272-V322 HydrophobicContact CE1-CG2 4.04Å; F272-V322 HydrophobicContact CE2-CB 4.07Å; F272-V322 HydrophobicContact CE2-CG2 3.56Å; F272-V322 HydrophobicContact CG-CB 4.34Å; F272-V322 HydrophobicContact CZ-CB 3.93Å; F272-V322 HydrophobicContact CZ-CG1 4.35Å; F272-V322 HydrophobicContact CZ-CG2 3.48Å; F272-V322 VanDerWaalsContact CZ-CG2 3.48Å; F272-V322 PolarHBondContact N-O 2.83Å; F272-V322 PolarHBondContact O-N 3.03Å; V320-V322 HydrophobicContact CG2-CG2 3.96Å
323N94.1Very high73.4Confident9 Ų938.5 Ų38.55%0.04825%0.25CC..  trans-141.5-172.2-178.8703.9000110.3W171 K271 E325W171-N323 PolarHBondContact NE1-O 3.24Å; K271-N323 HydrophobicContact CG-CB 4.32Å; N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact ND2-OE1 2.85Å; N323-E325 PolarHBondContact O-N 3.18Å; N323-E325 WeakPolarHBondContact OD1-CB 3.43Å; N323-E325 PolarHBondContact OD1-N 3.33Å
324E94.1Very high70.2Confident5 Ų540.9 Ų40.92%0.02327%0.27CS..SBendtrans-75.4-15.6-172.6-61.789.7153.900113.5P174 F175 E177 T180 M198 K271 G326P174-E324 WeakPolarHBondContact CB-O 3.32Å; F175-E324 HydrophobicContact CB-CB 3.99Å; F175-E324 HydrophobicContact CB-CG 3.95Å; F175-E324 PolarHBondContact N-O 2.86Å; E177-E324 HydrophobicContact CB-CG 4.45Å; E177-E324 HydrophobicContact CG-CB 3.53Å; E177-E324 HydrophobicContact CG-CG 3.73Å; T180-E324 WeakPolarHBondContact CB-OE1 3.13Å; T180-E324 WeakPolarHBondContact CG2-OE1 2.97Å; T180-E324 WeakPolarHBondContact OG1-CG 3.38Å; T180-E324 PolarHBondContact OG1-OE1 3.28Å; M198-E324 HydrophobicContact CG-CG 3.9Å; M198-E324 HydrophobicContact SD-CB 4.43Å; M198-E324 HydrophobicContact SD-CG 3.74Å; K271-E324 WeakPolarHBondContact CD-OE2 3.21Å; K271-E324 WeakPolarHBondContact CE-OE2 3.49Å; K271-E324 VanDerWaalsContact NZ-CD 3.31Å; K271-E324 IonicContact NZ-OE1 2.97Å; K271-E324 PolarHBondContact NZ-OE1 2.83Å; K271-E324 VanDerWaalsContact NZ-OE1 3.09Å; K271-E324 IonicContact NZ-OE2 3.93Å; K271-E324 PolarHBondContact NZ-OE2 3.5Å; E324-G326 PolarHBondContact O-N 2.85Å
325E87.4Confident66.9Low67 Ų6746.1 Ų46.131%0.31331%0.305SS..  trans-59.7132.5-167.2-68.9175.3-14700113.9K168 K170 W171 N323K168-E325 WeakPolarHBondContact CE-OE2 3.4Å; K168-E325 IonicContact NZ-OE1 3.95Å; K168-E325 PolarHBondContact NZ-OE1 2.96Å; K168-E325 IonicContact NZ-OE2 3.09Å; K168-E325 PolarHBondContact NZ-OE2 3.48Å; K170-E325 WeakPolarHBondContact CA-O 3.33Å; W171-E325 VanDerWaalsContact CD1-O 3.3Å; W171-E325 PolarHBondContact N-O 3.35Å; N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact ND2-OE1 2.85Å; N323-E325 PolarHBondContact O-N 3.18Å; N323-E325 WeakPolarHBondContact OD1-CB 3.43Å; N323-E325 PolarHBondContact OD1-N 3.33Å
326G71.9Confident63.8Low19 Ų1953.8 Ų53.820%0.19634%0.338CS..BIsolated β-bridgetrans-116.7-176.4172.900000113.7K170 E324K170-G326 WeakPolarHBondContact CD-O 3.49Å; E324-G326 PolarHBondContact O-N 2.85Å
327T47.9Very low60.6Low22 Ų2260 Ų6014%0.13538%0.376CS..  trans-73.6137.6167.2400000111.5Q83 K170 W171 A222 A329 A330Q83-T327 HydrophobicContact CB-CG2 4.22Å; Q83-T327 HydrophobicContact CG-CG2 4.4Å; K170-T327 HydrophobicContact CB-CG2 4.23Å; K170-T327 HydrophobicContact CD-CG2 4.12Å; W171-T327 PolarHBondContact O-N 2.92Å; A222-T327 HydrophobicContact CB-CG2 3.36Å; T327-A329 PolarHBondContact O-N 3.13Å; T327-A329 VanDerWaalsContact O-N 3.12Å; T327-A330 WeakPolarHBondContact O-CB 3.43Å; T327-A330 PolarHBondContact O-N 3.5Å; T327-A330 WeakPolarHBondContact OG1-CB 3.34Å
328E36Very low57.8Low185 Ų18563.3 Ų63.386%0.86440%0.398SS*.G310 helixtrans-54-32.7177.5-168.9177.2174.700112.5A330E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.9Å
329A34.8Very low54.9Low98 Ų9867 Ų6781%0.8143%0.428SS*.G310 helixtrans-77-8.517600000115T327T327-A329 PolarHBondContact O-N 3.13Å; T327-A329 VanDerWaalsContact O-N 3.12Å
330A31.7Very low52Low27 Ų2775.5 Ų75.522%0.22347%0.468CS..G310 helixtrans-96.7-4.1178.300000113.2N172 T327 E328 A332 S333N172-A330 WeakPolarHBondContact O-CB 3.5Å; T327-A330 WeakPolarHBondContact O-CB 3.43Å; T327-A330 PolarHBondContact O-N 3.5Å; T327-A330 WeakPolarHBondContact OG1-CB 3.34Å; E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.9Å; A330-A332 PolarHBondContact O-N 2.94Å; A330-S333 PolarHBondContact O-N 3.39Å
331A28.6Very low48.8Very low88 Ų8880.2 Ų80.273%0.72750%0.5SS*.THydrogen-bonded Turntrans-69.213.4176.200000114.2
332A26.3Very low46.1Very low92 Ų9285.8 Ų85.876%0.7654%0.539SS*.THydrogen-bonded Turntrans-109.527.7176.300000112.8A330 S334A330-A332 PolarHBondContact O-N 2.94Å; A332-S334 PolarHBondContact O-N 3.11Å
333S35Very low43.4Very low99 Ų9991.3 Ų91.369%0.69257%0.566SS**  trans-79.699.9159.4-103.90000108.2A330 C335A330-S333 PolarHBondContact O-N 3.39Å; S333-C335 PolarHBondContact O-N 2.92Å
334S27.8Very low41.1Very low79 Ų7999.6 Ų99.655%0.55261%0.605SS**  trans-47127.2169.849.60000110.8A332 F336A332-S334 PolarHBondContact O-N 3.11Å; S334-F336 PolarHBondContact O-N 3.31Å
335C27.6Very low39.4Very low110 Ų110104.7 Ų104.774%0.74364%0.641SS**  trans-52.7104.9165.8-167.60000108.7S333 V337S333-C335 PolarHBondContact O-N 2.92Å; C335-V337 PolarHBondContact O-N 2.63Å
336F31.1Very low38.7Very low170 Ų170103.1 Ų103.175%0.74664%0.643SS**  trans-75.2100161.6-72-80.8000105.8S334 V338S334-F336 PolarHBondContact O-N 3.31Å; F336-V338 HydrophobicContact CB-CG2 4.14Å; F336-V338 PolarHBondContact O-N 3.32Å
337V31.2Very low39.5Very low131 Ų131105 Ų10579%0.79465%0.652SS**  trans-67.590159.3-179.60000105.2C335 A339C335-V337 PolarHBondContact O-N 2.63Å; V337-A339 PolarHBondContact O-N 3.21Å
338V37.8Very low41.8Very low88 Ų88109.9 Ų109.953%0.53367%0.667SS.*  trans-70.8116.5172-1720000106.3F336 E340 M343F336-V338 HydrophobicContact CB-CG2 4.14Å; F336-V338 PolarHBondContact O-N 3.32Å; V338-E340 PolarHBondContact O-N 2.82Å; V338-M343 HydrophobicContact CG1-SD 3.76Å
339A33.9Very low44.7Very low76 Ų76101 Ų10163%0.62863%0.626SS**  trans-58.4128.8177.400000109.8V337 C341V337-A339 PolarHBondContact O-N 3.21Å; A339-C341 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.79Å
340E33Very low47.7Very low201 Ų20197.2 Ų97.294%0.93959%0.593SS**  trans-60.783.8175.2-73172.2145.300110.9V338V338-E340 PolarHBondContact O-N 2.82Å
341C28.6Very low50.8Low99 Ų9996 Ų9667%0.66958%0.583SS**SBendtrans-137.293170.7-78.70000108.4A339 M343A339-C341 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.79Å; C341-M343 PolarHBondContact O-N 3.45Å
342C34.7Very low54.1Low135 Ų13592.9 Ų92.991%0.91255%0.554SS**  trans60.537.4157.7-49.80000117.1E344C342-E344 PolarHBondContact O-N 3.44Å
343M38.7Very low57.4Low117 Ų11789.6 Ų89.658%0.57652%0.523SS*.  trans-73.6114.1172.5-60.3-157.98200109.5V338 C341 S345V338-M343 HydrophobicContact CG1-SD 3.76Å; C341-M343 PolarHBondContact O-N 3.45Å; M343-S345 PolarHBondContact O-N 2.82Å; M343-S345 VanDerWaalsContact O-N 3.17Å
344E45.8Very low60.4Low184 Ų18486 Ų8686%0.8650%0.497SS*.PPolyproline II helixtrans-46.9122.3154.4-70.1177.6163.500106.4C342 G346C342-E344 PolarHBondContact O-N 3.44Å; E344-G346 PolarHBondContact O-N 3.07Å
345S58.7Low63.7Low112 Ų11282.2 Ų82.278%0.78347%0.471SS*.PPolyproline II helixtrans-50.9116.6-179.151.90000108.3M343M343-S345 PolarHBondContact O-N 2.82Å; M343-S345 VanDerWaalsContact O-N 3.17Å
346G71.3Confident67Low34 Ų3477 Ų7735%0.35144%0.435SS..PPolyproline II helixtrans-55.5166.1177.400000111.1E344 R348E344-G346 PolarHBondContact O-N 3.07Å; G346-R348 PolarHBondContact O-N 2.85Å
347P90Very high70.2Confident59 Ų5968.9 Ų68.938%0.38340%0.4SS..PPolyproline II helixtrans-57.8140.3173.324.7-30.8000109.8L206 T263 E264 V265 E266L206-P347 HydrophobicContact CD2-CB 4.18Å; L206-P347 HydrophobicContact CD2-CG 4.39Å; T263-P347 HydrophobicContact CG2-CG 3.35Å; E264-P347 WeakPolarHBondContact O-CD 3.44Å; E264-P347 WeakPolarHBondContact O-CG 3.26Å; V265-P347 WeakPolarHBondContact CA-O 3.27Å; V265-P347 HydrophobicContact CB-CG 4.41Å; V265-P347 VanDerWaalsContact CG2-O 3.29Å; V265-P347 WeakPolarHBondContact CG2-O 3.27Å; E266-P347 PolarHBondContact N-O 3.32Å; E266-P347 VanDerWaalsContact N-O 3.11Å
348R94.7Very high73.4Confident123 Ų12362.7 Ų62.746%0.46436%0.362SS..EExtended strand (participates in β ladder)trans-114.6128.6177.9-179.5173.7165.6-161.2-8109.7E266 L268 G346 C350E266-R348 HydrophobicContact CB-CB 4.29Å; E266-R348 HydrophobicContact CB-CG 4.09Å; L268-R348 HydrophobicContact CD1-CG 3.86Å; L268-R348 VanDerWaalsContact CD1-NE 3.35Å; G346-R348 PolarHBondContact O-N 2.85Å; R348-C350 HydrophobicContact CG-CB 4.4Å; R348-C350 PolarHBondContact NH2-SG 3.47Å; R348-C350 VanDerWaalsContact NH2-SG 3.44Å
349F97.6Very high76.2Confident0 Ų058.5 Ų58.50%034%0.337CS..EExtended strand (participates in β ladder)trans-108.2102.5173.5-172-83.6000108.5L206 Q215 L217 V230 L232 V265 E266 L268 A351L206-F349 HydrophobicContact CD1-CD2 3.82Å; L206-F349 HydrophobicContact CD1-CE2 4.43Å; Q215-F349 HydrophobicContact CB-CD2 3.82Å; Q215-F349 HydrophobicContact CB-CE2 3.58Å; Q215-F349 VanDerWaalsContact OE1-CD2 3.26Å; L217-F349 HydrophobicContact CB-CD1 4.25Å; L217-F349 HydrophobicContact CB-CD2 3.81Å; L217-F349 HydrophobicContact CB-CE1 4.01Å; L217-F349 HydrophobicContact CB-CE2 3.54Å; L217-F349 HydrophobicContact CB-CG 4.15Å; L217-F349 HydrophobicContact CB-CZ 3.65Å; L217-F349 HydrophobicContact CD2-CB 4.42Å; L217-F349 HydrophobicContact CD2-CD1 3.57Å; L217-F349 HydrophobicContact CD2-CD2 4.4Å; L217-F349 HydrophobicContact CD2-CE1 3.83Å; L217-F349 HydrophobicContact CD2-CG 3.87Å; L217-F349 HydrophobicContact CD2-CZ 4.34Å; L217-F349 HydrophobicContact CG-CG 4.49Å; V230-F349 HydrophobicContact CB-CE1 4.06Å; V230-F349 HydrophobicContact CB-CZ 3.82Å; V230-F349 HydrophobicContact CG1-CE1 3.81Å; V230-F349 HydrophobicContact CG1-CZ 3.68Å; L232-F349 HydrophobicContact CB-CE1 4.35Å; L232-F349 HydrophobicContact CB-CE2 3.89Å; L232-F349 HydrophobicContact CB-CZ 3.55Å; L232-F349 HydrophobicContact CD2-CD1 4.33Å; L232-F349 HydrophobicContact CD2-CD2 4.4Å; L232-F349 HydrophobicContact CD2-CE1 4Å; L232-F349 HydrophobicContact CD2-CE2 4.08Å; L232-F349 HydrophobicContact CD2-CZ 3.87Å; L232-F349 HydrophobicContact CG-CZ 4.37Å; V265-F349 HydrophobicContact CG2-CB 3.93Å; E266-F349 PolarHBondContact O-N 3.32Å; L268-F349 PolarHBondContact N-O 2.82Å; F349-A351 HydrophobicContact CE1-CB 4.14Å
350C97.7Very high79.2Confident18 Ų1856 Ų5612%0.12231%0.311CS..EExtended strand (participates in β ladder)trans-115.995.4-174.1-168.50000110.7L232 L268 R348 D352L232-C350 WeakPolarHBondContact CD2-O 3.41Å; L268-C350 HydrophobicContact CB-CB 4.49Å; L268-C350 HydrophobicContact CD1-CB 4.24Å; R348-C350 HydrophobicContact CG-CB 4.4Å; R348-C350 PolarHBondContact NH2-SG 3.47Å; R348-C350 VanDerWaalsContact NH2-SG 3.44Å; C350-D352 PolarHBondContact O-N 3.32Å
351A97.8Very high82.1Confident0 Ų046.5 Ų46.50%027%0.267CS..  trans-7861.3-179.900000111.8F185 L232 L268 L269 P270 F349 F355F185-A351 WeakPolarHBondContact CE2-O 3.31Å; L232-A351 HydrophobicContact CD1-CB 4.3Å; L232-A351 HydrophobicContact CD2-CB 4.41Å; L268-A351 PolarHBondContact O-N 3.11Å; L269-A351 HydrophobicContact CD1-CB 4.17Å; P270-A351 WeakPolarHBondContact CD-O 3.19Å; P270-A351 VanDerWaalsContact CG-O 3.29Å; P270-A351 WeakPolarHBondContact CG-O 3.5Å; F349-A351 HydrophobicContact CE1-CB 4.14Å; A351-F355 HydrophobicContact CB-CD1 3.8Å; A351-F355 HydrophobicContact CB-CE1 3.77Å
352D96.9Very high85.2Confident23 Ų2343.9 Ų43.912%0.12325%0.246CC..  trans-97.512.8-175.275.6-2.4000114.4F185 K186 M197 C350F185-D352 CarbonylContact C-O 3.57Å; F185-D352 WeakPolarHBondContact CA-O 3.5Å; K186-D352 WeakPolarHBondContact CE-OD2 3.4Å; K186-D352 PolarHBondContact N-O 3.21Å; K186-D352 IonicContact NZ-OD1 3.96Å; K186-D352 PolarHBondContact NZ-OD1 2.91Å; K186-D352 IonicContact NZ-OD2 2.7Å; K186-D352 PolarHBondContact NZ-OD2 2.98Å; M197-D352 HydrophobicContact CE-CB 4.32Å; C350-D352 PolarHBondContact O-N 3.32Å
353H96.2Very high87.9Confident24 Ų2446.1 Ų46.111%0.11124%0.235CC..SBendtrans-155.8169.618061.5-88.4000109.7F185 K186 L232 P233 F355F185-H353 WeakPolarHBondContact CZ-O 3.29Å; K186-H353 HydrophobicContact CB-CB 4.14Å; K186-H353 WeakPolarHBondContact O-CA 3.35Å; L232-H353 WeakPolarHBondContact CD1-NE2 3.46Å; P233-H353 PolarHBondContact O-NE2 3.42Å; H353-F355 WeakPolarHBondContact O-CD1 3.36Å; H353-F355 PolarHBondContact O-N 3.25Å
354P96.9Very high90.3Very high22 Ų2241 Ų4114%0.14321%0.211CC..  trans-51.2129.7-171.4-31.432000115.3F185 K186 I187 P233 L239 F373F185-P354 HydrophobicContact CE1-CG 4.41Å; K186-P354 WeakPolarHBondContact O-CD 3.49Å; I187-P354 WeakPolarHBondContact O-CG 3.36Å; P233-P354 WeakPolarHBondContact CD-O 3.41Å; L239-P354 HydrophobicContact CB-CB 4.38Å; L239-P354 HydrophobicContact CD2-CB 3.82Å; P354-F373 WeakPolarHBondContact CA-O 3.49Å
355F97.3Very high92.5Very high1 Ų134.6 Ų34.60%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-137.3159.3-179.960.7-98.5000112.4F185 V230 L232 L269 P270 F272 A351 H353 F357 R372 F373F185-F355 HydrophobicContact CE2-CD1 4.44Å; F185-F355 HydrophobicContact CE2-CE1 4.16Å; V230-F355 HydrophobicContact CG1-CB 4.32Å; V230-F355 HydrophobicContact CG1-CD2 3.62Å; V230-F355 HydrophobicContact CG1-CE2 4.06Å; V230-F355 HydrophobicContact CG1-CG 3.99Å; L232-F355 HydrophobicContact CB-CB 4.47Å; L232-F355 HydrophobicContact CD1-CB 3.86Å; L232-F355 HydrophobicContact CD1-CD1 4.46Å; L269-F355 HydrophobicContact CD1-CZ 4.36Å; P270-F355 HydrophobicContact CG-CE1 4.12Å; F272-F355 HydrophobicContact CE1-CZ 4.21Å; A351-F355 HydrophobicContact CB-CD1 3.8Å; A351-F355 HydrophobicContact CB-CE1 3.77Å; H353-F355 WeakPolarHBondContact O-CD1 3.36Å; H353-F355 PolarHBondContact O-N 3.25Å; F355-F357 HydrophobicContact CD2-CB 4.28Å; F355-F357 HydrophobicContact CD2-CD1 4.39Å; F355-F357 HydrophobicContact CE2-CB 4.18Å; F355-F357 HydrophobicContact CE2-CD1 4.03Å; F355-F357 HydrophobicContact CE2-CG 4.46Å; F355-R372 WeakPolarHBondContact O-CA 3.46Å; F355-F373 HydrophobicContact CD1-CB 4.4Å; F355-F373 HydrophobicContact CD1-CD1 4.29Å; F355-F373 HydrophobicContact CD2-CB 4.16Å; F355-F373 HydrophobicContact CE1-CB 3.92Å; F355-F373 AromaticContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CD1 3.44Å; F355-F373 VanDerWaalsContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CE1 4.31Å; F355-F373 HydrophobicContact CE1-CG 4.01Å; F355-F373 HydrophobicContact CE2-CB 3.65Å; F355-F373 HydrophobicContact CE2-CG 4.37Å; F355-F373 HydrophobicContact CZ-CB 3.51Å; F355-F373 AromaticContact CZ-CD1 3.62Å; F355-F373 HydrophobicContact CZ-CD1 3.62Å; F355-F373 AromaticContact CZ-CG 3.74Å; F355-F373 HydrophobicContact CZ-CG 3.74Å; F355-F373 PolarHBondContact N-O 2.82Å; F355-F373 VanDerWaalsContact N-O 3.09Å; F355-F373 PolarHBondContact O-N 3.26Å
356L97.9Very high94.2Very high0 Ų029.4 Ų29.40%015%0.147CC..EExtended strand (participates in β ladder)trans-94146.7167.5-63.9-179.2000110L16 L231 L239 V242 E243 L246 F358 G371 R372L16-L356 HydrophobicContact CD2-CD1 4.41Å; L16-L356 HydrophobicContact CD2-CD2 4.3Å; L231-L356 HydrophobicContact CB-CB 4.33Å; L231-L356 PolarHBondContact N-O 2.93Å; L231-L356 PolarHBondContact O-N 2.81Å; L239-L356 HydrophobicContact CD1-CG 4.04Å; L239-L356 HydrophobicContact CD2-CD2 4.34Å; V242-L356 HydrophobicContact CG1-CD1 4.5Å; E243-L356 HydrophobicContact CG-CD1 4.06Å; E243-L356 HydrophobicContact CG-CD2 4.22Å; E243-L356 HydrophobicContact CG-CG 4.48Å; L246-L356 HydrophobicContact CD2-CD1 3.72Å; L356-F358 HydrophobicContact CB-CE2 3.96Å; L356-F358 HydrophobicContact CB-CZ 4.15Å; L356-F358 HydrophobicContact CD1-CZ 4.32Å; L356-G371 WeakPolarHBondContact CA-O 3.33Å; L356-R372 HydrophobicContact CD2-CB 3.82Å; L356-R372 HydrophobicContact CD2-CG 4.26Å
357F97.9Very high95.3Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-137.5151.3173.370-86.5000112.3F29 L228 L229 F272 L274 F355 C370 G371 F373F29-F357 AromaticContact CD2-CE2 3.76Å; F29-F357 HydrophobicContact CD2-CE2 3.76Å; F29-F357 AromaticContact CD2-CZ 3.59Å; F29-F357 HydrophobicContact CD2-CZ 3.59Å; F29-F357 AromaticContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CE2 3.87Å; F29-F357 HydrophobicContact CE2-CZ 4.16Å; F29-F357 HydrophobicContact CG-CZ 4.48Å; L228-F357 HydrophobicContact CD1-CB 4.01Å; L228-F357 HydrophobicContact CD1-CD2 3.91Å; L228-F357 HydrophobicContact CD1-CG 4.38Å; L229-F357 CarbonylContact O-C 3.53Å; L229-F357 WeakPolarHBondContact O-CA 3.5Å; F272-F357 HydrophobicContact CE2-CZ 4.36Å; F272-F357 HydrophobicContact CZ-CE1 4.46Å; F272-F357 HydrophobicContact CZ-CZ 4.49Å; L274-F357 HydrophobicContact CD1-CE1 3.8Å; L274-F357 HydrophobicContact CD1-CZ 3.68Å; F355-F357 HydrophobicContact CD2-CB 4.28Å; F355-F357 HydrophobicContact CD2-CD1 4.39Å; F355-F357 HydrophobicContact CE2-CB 4.18Å; F355-F357 HydrophobicContact CE2-CD1 4.03Å; F355-F357 HydrophobicContact CE2-CG 4.46Å; F357-C370 CarbonylContact O-C 3.57Å; F357-C370 WeakPolarHBondContact O-CA 3.46Å; F357-G371 PolarHBondContact N-O 3.12Å; F357-G371 PolarHBondContact O-N 2.96Å; F357-F373 HydrophobicContact CD1-CB 4.43Å; F357-F373 HydrophobicContact CE1-CB 4.39Å
358F98.1Very high95.6Very high0 Ų025.3 Ų25.30%011%0.114CC..EExtended strand (participates in β ladder)trans-137.6134.2-179.2-51-92.2000109.8I13 L16 L228 L229 L246 L251 L356 I367 F369 C370I13-F358 HydrophobicContact CD1-CE1 3.8Å; I13-F358 HydrophobicContact CD1-CZ 4.35Å; L16-F358 HydrophobicContact CD2-CE1 3.86Å; L16-F358 HydrophobicContact CD2-CZ 4.02Å; L228-F358 CarbonylContact C-O 3.57Å; L228-F358 WeakPolarHBondContact CA-O 3.47Å; L229-F358 HydrophobicContact CB-CB 4.23Å; L229-F358 HydrophobicContact CB-CD2 4.42Å; L229-F358 HydrophobicContact CD1-CB 4.43Å; L229-F358 PolarHBondContact N-O 3.39Å; L229-F358 PolarHBondContact O-N 2.92Å; L246-F358 HydrophobicContact CD2-CE1 4.46Å; L246-F358 HydrophobicContact CD2-CZ 3.75Å; L251-F358 HydrophobicContact CD1-CD2 4.46Å; L251-F358 HydrophobicContact CD1-CE2 4.45Å; L251-F358 HydrophobicContact CD2-CD1 4.11Å; L251-F358 HydrophobicContact CD2-CD2 4.2Å; L251-F358 HydrophobicContact CD2-CE1 4.21Å; L251-F358 HydrophobicContact CD2-CE2 4.31Å; L251-F358 HydrophobicContact CD2-CG 4.13Å; L251-F358 HydrophobicContact CD2-CZ 4.33Å; L356-F358 HydrophobicContact CB-CE2 3.96Å; L356-F358 HydrophobicContact CB-CZ 4.15Å; L356-F358 HydrophobicContact CD1-CZ 4.32Å; F358-I367 HydrophobicContact CB-CG2 4.46Å; F358-I367 HydrophobicContact CD1-CD1 4.16Å; F358-I367 HydrophobicContact CD1-CG2 4.12Å; F358-F369 CarbonylContact C-O 3.52Å; F358-F369 WeakPolarHBondContact CA-O 3.42Å; F358-C370 HydrophobicContact CD1-CB 3.52Å; F358-C370 HydrophobicContact CE1-CB 3.74Å
359I97Very high95.7Very high0 Ų019.5 Ų19.50%09%0.091CC..EExtended strand (participates in β ladder)trans-103.3108.4170.9-58.3175.9000107F167 Y221 L226 S227 L228 V320 L368 F369F167-I359 HydrophobicContact CD1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CD1 3.57Å; F167-I359 HydrophobicContact CE1-CG2 4.25Å; F167-I359 HydrophobicContact CZ-CD1 4.49Å; F167-I359 HydrophobicContact CZ-CG2 4.17Å; Y221-I359 HydrophobicContact CE2-CG2 4.26Å; L226-I359 HydrophobicContact CD1-CG2 4.33Å; S227-I359 WeakPolarHBondContact O-CA 3.45Å; L228-I359 HydrophobicContact CD1-CG1 3.83Å; V320-I359 HydrophobicContact CG2-CD1 4.17Å; I359-L368 WeakPolarHBondContact O-CB 3.36Å; I359-L368 PolarHBondContact O-N 3.41Å; I359-F369 HydrophobicContact CB-CB 4.07Å; I359-F369 HydrophobicContact CB-CD2 3.97Å; I359-F369 HydrophobicContact CD1-CB 4.21Å; I359-F369 HydrophobicContact CD1-CD2 4.09Å; I359-F369 HydrophobicContact CD1-CG 4.38Å; I359-F369 HydrophobicContact CG1-CB 4.31Å; I359-F369 HydrophobicContact CG2-CD2 4.19Å; I359-F369 PolarHBondContact N-O 3.42Å; I359-F369 PolarHBondContact O-N 3.17Å
360R96.2Very high95.7Very high25 Ų2519.5 Ų19.59%0.0949%0.091CC..EExtended strand (participates in β ladder)trans-101.4137.4-175.8-178.4-179.865.3-170.5-5.7110.6E218 L226 S227 L229 T255 N362 S366E218-R360 IonicContact OE1-NH2 3.53Å; E218-R360 PolarHBondContact OE1-NH2 2.94Å; E218-R360 IonicContact OE2-NH2 2.98Å; L226-R360 CarbonylContact C-O 3.4Å; L226-R360 WeakPolarHBondContact CA-O 3.28Å; S227-R360 PolarHBondContact N-O 2.81Å; S227-R360 PolarHBondContact O-N 2.81Å; L229-R360 HydrophobicContact CD1-CB 4.35Å; T255-R360 PolarHBondContact OG1-NH1 3.39Å; R360-N362 PolarHBondContact NE-OD1 2.99Å; R360-N362 PolarHBondContact O-N 3.31Å; R360-S366 CarbonylContact C-O 3.54Å; R360-S366 WeakPolarHBondContact CA-O 3.46Å
361H94.6Very high95.7Very high1 Ų118.6 Ų18.61%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-83107.2163.8-172.6-86.7000109.9E76 L226 R363 A364 N365 S366 L368E76-H361 IonicContact OE1-CE1 3.38Å; L226-H361 HydrophobicContact CD2-CB 3.76Å; L226-H361 VanDerWaalsContact CD2-CD2 3.46Å; L226-H361 WeakPolarHBondContact CD2-CD2 2.88Å; H361-R363 PolarHBondContact O-N 3.24Å; H361-A364 HydrophobicContact CB-CB 4.32Å; H361-A364 WeakPolarHBondContact ND1-CB 3.29Å; H361-A364 PolarHBondContact ND1-N 2.94Å; H361-A364 VanDerWaalsContact ND1-N 3.17Å; H361-A364 PolarHBondContact O-N 3.1Å; H361-N365 WeakPolarHBondContact O-CA 3.44Å; H361-N365 PolarHBondContact O-N 3.24Å; H361-S366 PolarHBondContact N-O 3.4Å; H361-S366 PolarHBondContact O-N 3.11Å; H361-L368 HydrophobicContact CB-CD1 4.09Å; H361-L368 HydrophobicContact CB-CD2 4.21Å; H361-L368 HydrophobicContact CB-CG 4.03Å
362N93.7Very high95.6Very high43 Ų4318.8 Ų18.823%0.239%0.086CC..THydrogen-bonded Turntrans-62.7-41.9-165.1-69.7-27.9000113K224 E225 S227 R360 A364K224-N362 PolarHBondContact O-ND2 3.38Å; E225-N362 PolarHBondContact O-N 2.81Å; S227-N362 PolarHBondContact OG-ND2 2.84Å; S227-N362 PolarHBondContact OG-OD1 3.39Å; R360-N362 PolarHBondContact NE-OD1 2.99Å; R360-N362 PolarHBondContact O-N 3.31Å; N362-A364 PolarHBondContact O-N 3.49Å
363R90.7Very high95.6Very high183 Ų18317.8 Ų17.869%0.6918%0.081SC*.THydrogen-bonded Turntrans-69.5-32.9179.3-175.1-177.4-176.9-163.52.7113.4E76 H361E76-R363 VanDerWaalsContact CD-NH1 3.27Å; E76-R363 WeakPolarHBondContact OE1-CD 3.45Å; E76-R363 IonicContact OE1-CZ 3.02Å; E76-R363 IonicContact OE1-NH1 3.92Å; E76-R363 PolarHBondContact OE1-NH1 3.38Å; E76-R363 IonicContact OE2-CZ 3.59Å; E76-R363 IonicContact OE2-NH1 2.98Å; E76-R363 PolarHBondContact OE2-NH1 3.08Å; H361-R363 PolarHBondContact O-N 3.24Å
364A90.3Very high95.5Very high9 Ų916.7 Ų16.77%0.0748%0.076CC..THydrogen-bonded Turntrans-92.4-11.5-177.500000112.4S5 L73 H361 N362 S366S5-A364 PolarHBondContact OG-O 3.43Å; L73-A364 HydrophobicContact CD1-CB 3.84Å; H361-A364 HydrophobicContact CB-CB 4.32Å; H361-A364 WeakPolarHBondContact ND1-CB 3.29Å; H361-A364 PolarHBondContact ND1-N 2.94Å; H361-A364 VanDerWaalsContact ND1-N 3.17Å; H361-A364 PolarHBondContact O-N 3.1Å; N362-A364 PolarHBondContact O-N 3.49Å; A364-S366 PolarHBondContact O-N 2.97Å; A364-S366 PolarHBondContact O-OG 2.89Å
365N91.1Very high95.2Very high49 Ų4916.4 Ų16.426%0.2628%0.075SC..THydrogen-bonded Turntrans54.321.1-169.1-16135.3000114.5S5 H361S5-N365 PolarHBondContact OG-O 3.4Å; H361-N365 WeakPolarHBondContact O-CA 3.44Å; H361-N365 PolarHBondContact O-N 3.24Å
366S93.7Very high94.7Very high3 Ų320 Ų202%0.02110%0.098CC..EExtended strand (participates in β ladder)trans-92.8136.4-176.1-60.40000112.1R360 H361 A364 L368R360-S366 CarbonylContact C-O 3.54Å; R360-S366 WeakPolarHBondContact CA-O 3.46Å; H361-S366 PolarHBondContact N-O 3.4Å; H361-S366 PolarHBondContact O-N 3.11Å; A364-S366 PolarHBondContact O-N 2.97Å; A364-S366 PolarHBondContact O-OG 2.89Å; S366-L368 PolarHBondContact O-N 2.91Å
367I96.1Very high94.6Very high4 Ų421 Ų212%0.02110%0.103CC..EExtended strand (participates in β ladder)trans-77.7102.3170.4-61.1174.4000108.5A12 I13 V33 F248 L251 F358 F369 C370A12-I367 HydrophobicContact CB-CB 4.39Å; A12-I367 HydrophobicContact CB-CD1 4.23Å; A12-I367 HydrophobicContact CB-CG2 4.35Å; I13-I367 HydrophobicContact CD1-CD1 4.43Å; V33-I367 WeakPolarHBondContact CG2-O 3.32Å; F248-I367 HydrophobicContact CD2-CD1 3.67Å; F248-I367 HydrophobicContact CE2-CD1 3.64Å; F248-I367 HydrophobicContact CE2-CG1 3.99Å; L251-I367 HydrophobicContact CD2-CD1 3.87Å; F358-I367 HydrophobicContact CB-CG2 4.46Å; F358-I367 HydrophobicContact CD1-CD1 4.16Å; F358-I367 HydrophobicContact CD1-CG2 4.12Å; I367-F369 VanDerWaalsContact CG2-O 3.22Å; I367-F369 WeakPolarHBondContact CG2-O 3.16Å; I367-C370 HydrophobicContact CG2-CB 4.08Å
368L95.6Very high94.4Very high4 Ų422.1 Ų22.12%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-71.7-41.1176.9-61.6-172.4000111.1S31 V33 V77 L226 I359 H361 S366S31-L368 VanDerWaalsContact CA-O 3.26Å; S31-L368 WeakPolarHBondContact CA-O 3.35Å; S31-L368 VanDerWaalsContact CB-O 3.28Å; S31-L368 WeakPolarHBondContact CB-O 3.36Å; S31-L368 PolarHBondContact OG-O 2.86Å; V33-L368 HydrophobicContact CB-CD2 4.44Å; V33-L368 HydrophobicContact CG1-CD2 4.3Å; V33-L368 HydrophobicContact CG2-CD2 4.46Å; V77-L368 HydrophobicContact CG1-CD1 3.97Å; V77-L368 HydrophobicContact CG1-CD2 3.99Å; V77-L368 HydrophobicContact CG2-CD2 3.93Å; L226-L368 HydrophobicContact CD1-CD1 4.34Å; L226-L368 HydrophobicContact CD2-CD1 3.62Å; I359-L368 WeakPolarHBondContact O-CB 3.36Å; I359-L368 PolarHBondContact O-N 3.41Å; H361-L368 HydrophobicContact CB-CD1 4.09Å; H361-L368 HydrophobicContact CB-CD2 4.21Å; H361-L368 HydrophobicContact CB-CG 4.03Å; S366-L368 PolarHBondContact O-N 2.91Å
369F97.4Very high94.2Very high0 Ų023.3 Ų23.30%011%0.114CC..EExtended strand (participates in β ladder)trans-138.3148.7177.8-55.9-92.2000110.8F29 C30 L86 I165 F167 F358 I359 I367F29-F369 HydrophobicContact CE1-CD1 4.04Å; F29-F369 HydrophobicContact CE1-CE1 4.41Å; F29-F369 HydrophobicContact CE2-CB 3.57Å; F29-F369 AromaticContact CE2-CD1 3.76Å; F29-F369 HydrophobicContact CE2-CD1 3.76Å; F29-F369 AromaticContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CE2-CG 3.94Å; F29-F369 HydrophobicContact CZ-CB 3.94Å; F29-F369 AromaticContact CZ-CD1 3.21Å; F29-F369 HydrophobicContact CZ-CD1 3.21Å; F29-F369 AromaticContact CZ-CE1 3.85Å; F29-F369 HydrophobicContact CZ-CE1 3.85Å; F29-F369 AromaticContact CZ-CG 3.76Å; F29-F369 HydrophobicContact CZ-CG 3.76Å; C30-F369 VanDerWaalsContact O-CA 3.32Å; C30-F369 WeakPolarHBondContact O-CA 3.31Å; L86-F369 HydrophobicContact CD1-CE2 3.9Å; L86-F369 HydrophobicContact CD1-CZ 3.73Å; I165-F369 HydrophobicContact CB-CE1 4.45Å; I165-F369 HydrophobicContact CD1-CE1 3.84Å; I165-F369 HydrophobicContact CD1-CE2 4.5Å; I165-F369 HydrophobicContact CD1-CZ 3.53Å; I165-F369 HydrophobicContact CG1-CE1 3.93Å; I165-F369 HydrophobicContact CG1-CZ 3.73Å; I165-F369 HydrophobicContact CG2-CE1 3.78Å; I165-F369 HydrophobicContact CG2-CZ 4.47Å; F167-F369 HydrophobicContact CB-CD2 4.4Å; F167-F369 HydrophobicContact CB-CE1 4.25Å; F167-F369 HydrophobicContact CB-CE2 3.56Å; F167-F369 HydrophobicContact CB-CZ 3.47Å; F167-F369 VanDerWaalsContact CB-CZ 3.47Å; F167-F369 HydrophobicContact CD2-CE2 4.12Å; F167-F369 HydrophobicContact CG-CD2 4.44Å; F167-F369 AromaticContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CE2 3.81Å; F167-F369 HydrophobicContact CG-CZ 4.25Å; F358-F369 CarbonylContact C-O 3.52Å; F358-F369 WeakPolarHBondContact CA-O 3.42Å; I359-F369 HydrophobicContact CB-CB 4.07Å; I359-F369 HydrophobicContact CB-CD2 3.97Å; I359-F369 HydrophobicContact CD1-CB 4.21Å; I359-F369 HydrophobicContact CD1-CD2 4.09Å; I359-F369 HydrophobicContact CD1-CG 4.38Å; I359-F369 HydrophobicContact CG1-CB 4.31Å; I359-F369 HydrophobicContact CG2-CD2 4.19Å; I359-F369 PolarHBondContact N-O 3.42Å; I359-F369 PolarHBondContact O-N 3.17Å; I367-F369 VanDerWaalsContact CG2-O 3.22Å; I367-F369 WeakPolarHBondContact CG2-O 3.16Å
370C97.5Very high94Very high0 Ų024.6 Ų24.60%012%0.121CC..EExtended strand (participates in β ladder)trans-137.9154.7168.1630000110L16 F29 C30 P32 F357 F358 I367L16-C370 HydrophobicContact CD2-CB 4.36Å; F29-C370 WeakPolarHBondContact CA-O 3.26Å; C30-C370 PolarHBondContact N-O 3.22Å; C30-C370 PolarHBondContact O-N 3.21Å; C30-C370 VanDerWaalsContact O-N 3.11Å; C30-C370 VanDerWaalsContact SG-SG 3.69Å; P32-C370 WeakPolarHBondContact CG-SG 3.37Å; F357-C370 CarbonylContact O-C 3.57Å; F357-C370 WeakPolarHBondContact O-CA 3.46Å; F358-C370 HydrophobicContact CD1-CB 3.52Å; F358-C370 HydrophobicContact CE1-CB 3.74Å; I367-C370 HydrophobicContact CG2-CB 4.08Å
371G96.2Very high93.9Very high0 Ų024.6 Ų24.60%012%0.122CC..EExtended strand (participates in β ladder)trans-168.4172.7178.900000114.2V28 L356 F357V28-G371 CarbonylContact O-C 3.58Å; V28-G371 WeakPolarHBondContact O-CA 3.37Å; L356-G371 WeakPolarHBondContact CA-O 3.33Å; F357-G371 PolarHBondContact N-O 3.12Å; F357-G371 PolarHBondContact O-N 2.96Å
372R96.3Very high93.8Very high4 Ų426.2 Ų26.22%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-120.1129.6169.9176.3174.767.7-164.11.7107.9C20 N23 H26 N27 V28 L239 E243 F355 L356 S374C20-R372 PolarHBondContact O-NH1 2.85Å; C20-R372 VanDerWaalsContact O-NH1 3.16Å; N23-R372 PolarHBondContact O-NH2 3.03Å; H26-R372 PolarHBondContact O-NE 2.81Å; H26-R372 PolarHBondContact O-NH2 2.94Å; N27-R372 CarbonylContact C-O 3.6Å; N27-R372 WeakPolarHBondContact CA-O 3.42Å; V28-R372 HydrophobicContact CB-CB 4.11Å; V28-R372 HydrophobicContact CG2-CB 4.48Å; V28-R372 PolarHBondContact N-O 2.75Å; V28-R372 PolarHBondContact O-N 3.39Å; L239-R372 VanDerWaalsContact CD2-CD 3.42Å; L239-R372 HydrophobicContact CD2-CG 3.61Å; E243-R372 WeakPolarHBondContact OE1-CD 3.36Å; E243-R372 IonicContact OE1-CZ 2.81Å; E243-R372 IonicContact OE1-NH1 2.87Å; E243-R372 PolarHBondContact OE1-NH1 2.91Å; E243-R372 VanDerWaalsContact OE1-NH1 3.15Å; F355-R372 WeakPolarHBondContact O-CA 3.46Å; L356-R372 HydrophobicContact CD2-CB 3.82Å; L356-R372 HydrophobicContact CD2-CG 4.26Å; R372-S374 WeakPolarHBondContact CD-OG 3.09Å; R372-S374 VanDerWaalsContact CG-OG 3.29Å; R372-S374 WeakPolarHBondContact CG-OG 3.39Å; R372-S374 PolarHBondContact NE-OG 3.17Å
373F96.3Very high93.9Very high1 Ų125 Ų250%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-105107168.3-173.2-98.7000107.7N27 F185 P270 F272 L274 P354 F355 F357 P376N27-F373 WeakPolarHBondContact OD1-CA 3.31Å; F185-F373 AromaticContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CD2-CE1 3.96Å; F185-F373 HydrophobicContact CE1-CD1 4.39Å; F185-F373 HydrophobicContact CE1-CE1 4.31Å; F185-F373 AromaticContact CE2-CD1 3.63Å; F185-F373 HydrophobicContact CE2-CD1 3.63Å; F185-F373 AromaticContact CE2-CE1 3.51Å; F185-F373 HydrophobicContact CE2-CE1 3.51Å; F185-F373 AromaticContact CZ-CD1 3.53Å; F185-F373 HydrophobicContact CZ-CD1 3.53Å; F185-F373 AromaticContact CZ-CE1 3.69Å; F185-F373 HydrophobicContact CZ-CE1 3.69Å; P270-F373 HydrophobicContact CB-CE1 3.86Å; P270-F373 HydrophobicContact CB-CZ 4.04Å; P270-F373 HydrophobicContact CG-CD1 4.44Å; P270-F373 HydrophobicContact CG-CE1 3.9Å; F272-F373 HydrophobicContact CB-CD2 4.24Å; F272-F373 HydrophobicContact CB-CE2 3.49Å; F272-F373 VanDerWaalsContact CB-CE2 3.49Å; F272-F373 HydrophobicContact CB-CZ 4.05Å; F272-F373 HydrophobicContact CD1-CD2 4.05Å; F272-F373 AromaticContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CE2 3.95Å; F272-F373 HydrophobicContact CD1-CZ 4.36Å; F272-F373 HydrophobicContact CD2-CD2 4.24Å; F272-F373 HydrophobicContact CD2-CE2 4.32Å; F272-F373 HydrophobicContact CE1-CD2 4.44Å; F272-F373 AromaticContact CG-CD2 3.93Å; F272-F373 HydrophobicContact CG-CD2 3.93Å; F272-F373 AromaticContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CE2 3.68Å; F272-F373 HydrophobicContact CG-CZ 4.4Å; L274-F373 HydrophobicContact CD1-CD2 4.32Å; L274-F373 HydrophobicContact CD2-CD2 4.32Å; P354-F373 WeakPolarHBondContact CA-O 3.49Å; F355-F373 HydrophobicContact CD1-CB 4.4Å; F355-F373 HydrophobicContact CD1-CD1 4.29Å; F355-F373 HydrophobicContact CD2-CB 4.16Å; F355-F373 HydrophobicContact CE1-CB 3.92Å; F355-F373 AromaticContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CD1 3.44Å; F355-F373 VanDerWaalsContact CE1-CD1 3.44Å; F355-F373 HydrophobicContact CE1-CE1 4.31Å; F355-F373 HydrophobicContact CE1-CG 4.01Å; F355-F373 HydrophobicContact CE2-CB 3.65Å; F355-F373 HydrophobicContact CE2-CG 4.37Å; F355-F373 HydrophobicContact CZ-CB 3.51Å; F355-F373 AromaticContact CZ-CD1 3.62Å; F355-F373 HydrophobicContact CZ-CD1 3.62Å; F355-F373 AromaticContact CZ-CG 3.74Å; F355-F373 HydrophobicContact CZ-CG 3.74Å; F355-F373 PolarHBondContact N-O 2.82Å; F355-F373 VanDerWaalsContact N-O 3.09Å; F355-F373 PolarHBondContact O-N 3.26Å; F357-F373 HydrophobicContact CD1-CB 4.43Å; F357-F373 HydrophobicContact CE1-CB 4.39Å; F373-P376 HydrophobicContact CZ-CB 4.1Å
374S95.1Very high94.1Very high1 Ų112.8 Ų12.81%0.0078%0.079CC..  trans-115.3-24.4-178.5-72.20000113.4P24 N27 F185 R372P24-S374 WeakPolarHBondContact O-CB 3.4Å; P24-S374 PolarHBondContact O-OG 2.93Å; N27-S374 PolarHBondContact OD1-N 3.18Å; F185-S374 WeakPolarHBondContact CE1-O 3.36Å; R372-S374 WeakPolarHBondContact CD-OG 3.09Å; R372-S374 VanDerWaalsContact CG-OG 3.29Å; R372-S374 WeakPolarHBondContact CG-OG 3.39Å; R372-S374 PolarHBondContact NE-OG 3.17Å
375S91.1Very high94.4Very high17 Ų1713.2 Ų13.212%0.1198%0.08CC..  trans-139.3135.2175.8177.70000109.9N27 R193N27-S375 PolarHBondContact ND2-O 3.3Å; N27-S375 PolarHBondContact OD1-N 3.24Å; N27-S375 PolarHBondContact OD1-O 2.78Å; R193-S375 PolarHBondContact NH1-OG 3.37Å
376P86.5Confident94.7Very high75 Ų759.9 Ų9.949%0.4876%0.063SC..  trans-65.40166.231.4-35.5000112.7F185 R193 V195 F373F185-P376 HydrophobicContact CB-CG 4.26Å; R193-P376 HydrophobicContact CB-CG 3.79Å; V195-P376 HydrophobicContact CB-CB 3.77Å; V195-P376 HydrophobicContact CB-CG 4.23Å; V195-P376 HydrophobicContact CG2-CB 3.58Å; F373-P376 HydrophobicContact CZ-CB 4.1Å

Retrieved 376 of 376 residues in 293.6 ms (Link to these results)

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