A0A087Y6X1_POEFO Loading...

Chromosome 6 open reading frame 62

AlphaFold DB , UniProt , Accession A0A087Y6X1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M48.4Very low66.1Low233 Ų23398.2 Ų98.2100%1.14852%0.523SS*.  0120.90-84.5-169.4-10000108.3
2G55.7Low66.4Low44 Ų4496.5 Ų96.545%0.45450%0.504SS..  trans-73.5142.9-178.500000112.5R7G2-R7 VanDerWaalsContact O-CZ 3.31Å; G2-R7 PolarHBondContact O-NE 3.15Å; G2-R7 PolarHBondContact O-NH2 2.63Å
3D67.3Low66.8Low87 Ų8795.8 Ų95.847%0.46550%0.501SS..  trans-48.8127.9176.4171.910.1000111.5T5 S6 R7D3-T5 PolarHBondContact O-N 2.83Å; D3-T5 WeakPolarHBondContact OD1-CB 3.45Å; D3-T5 PolarHBondContact OD1-N 2.83Å; D3-T5 PolarHBondContact OD1-OG1 3.32Å; D3-S6 WeakPolarHBondContact O-CB 3.38Å; D3-S6 PolarHBondContact O-N 3.01Å; D3-R7 PolarHBondContact O-N 3.23Å
4P64.5Low67.3Low82 Ų8299 Ų9953%0.53250%0.503SS..Hα-helixtrans-49-36.8174.6-27.834.4000113.8R7 R8P4-R7 PolarHBondContact O-N 3.38Å; P4-R8 WeakPolarHBondContact O-CG 3.33Å; P4-R8 PolarHBondContact O-N 2.79Å
5T67.5Low66.8Low82 Ų8292.4 Ų92.450%0.50347%0.47SS..Hα-helixtrans-67.5-42.1179.7-34.90000111.3D3 R8 N9D3-T5 PolarHBondContact O-N 2.83Å; D3-T5 WeakPolarHBondContact OD1-CB 3.45Å; D3-T5 PolarHBondContact OD1-N 2.83Å; D3-T5 PolarHBondContact OD1-OG1 3.32Å; T5-R8 PolarHBondContact O-N 3.09Å; T5-N9 PolarHBondContact O-N 2.77Å; T5-N9 PolarHBondContact O-ND2 2.98Å
6S67.9Low66.9Low68 Ų6892.1 Ų92.148%0.47646%0.461SS..Hα-helixtrans-64.4-43.7175.8-177.70000111.8D3 R8 N9 Q10D3-S6 WeakPolarHBondContact O-CB 3.38Å; D3-S6 PolarHBondContact O-N 3.01Å; S6-R8 PolarHBondContact O-N 3.36Å; S6-N9 PolarHBondContact O-N 2.96Å; S6-Q10 WeakPolarHBondContact O-CB 2.79Å; S6-Q10 PolarHBondContact O-N 2.88Å
7R70.1Confident66.6Low132 Ų13289.1 Ų89.150%0.49845%0.454SS..Hα-helixtrans-60.6-43.5175.2-66.2-173.1-141.7-174.57.2111.9G2 D3 P4 Q10 T11G2-R7 VanDerWaalsContact O-CZ 3.31Å; G2-R7 PolarHBondContact O-NE 3.15Å; G2-R7 PolarHBondContact O-NH2 2.63Å; D3-R7 PolarHBondContact O-N 3.23Å; P4-R7 PolarHBondContact O-N 3.38Å; R7-Q10 WeakPolarHBondContact O-CB 2.93Å; R7-Q10 PolarHBondContact O-N 3.39Å; R7-T11 PolarHBondContact O-N 3.26Å; R7-T11 PolarHBondContact O-OG1 3.47Å
8R70Confident66.2Low95 Ų9586.3 Ų86.336%0.35844%0.439SS..Hα-helixtrans-66.1-39.9177.5-74178.9-174.9168.22.5113P4 T5 S6 Q10 T11 R12 E138P4-R8 WeakPolarHBondContact O-CG 3.33Å; P4-R8 PolarHBondContact O-N 2.79Å; T5-R8 PolarHBondContact O-N 3.09Å; S6-R8 PolarHBondContact O-N 3.36Å; R8-Q10 VanDerWaalsContact C-N 3.28Å; R8-Q10 PolarHBondContact O-N 3.25Å; R8-T11 PolarHBondContact O-N 2.63Å; R8-R12 WeakPolarHBondContact O-CB 2.93Å; R8-R12 PolarHBondContact O-N 3.47Å; R8-E138 IonicContact CZ-OE1 3.51Å; R8-E138 IonicContact CZ-OE2 3.69Å; R8-E138 VanDerWaalsContact NH1-CD 3.27Å; R8-E138 IonicContact NH1-OE1 3.51Å; R8-E138 PolarHBondContact NH1-OE1 2.6Å; R8-E138 IonicContact NH1-OE2 2.77Å; R8-E138 PolarHBondContact NH1-OE2 3.16Å; R8-E138 VanDerWaalsContact NH1-OE2 3.16Å; R8-E138 IonicContact NH2-OE1 3.16Å; R8-E138 PolarHBondContact NH2-OE1 2.66Å; R8-E138 IonicContact NH2-OE2 3.97Å
9N72.3Confident65.6Low69 Ų6982.7 Ų82.737%0.36942%0.421SS..Hα-helixtrans-62.3-40174-78-29.5000111.2T5 S6 R12 N13T5-N9 PolarHBondContact O-N 2.77Å; T5-N9 PolarHBondContact O-ND2 2.98Å; S6-N9 PolarHBondContact O-N 2.96Å; N9-R12 PolarHBondContact O-N 2.98Å; N9-R12 PolarHBondContact OD1-NH2 2.79Å; N9-N13 WeakPolarHBondContact O-CB 3.44Å; N9-N13 PolarHBondContact O-N 2.86Å; N9-N13 PolarHBondContact O-ND2 2.94Å; N9-N13 PolarHBondContact O-OD1 2.97Å
10Q73Confident65.3Low139 Ų13989.7 Ų89.765%0.6544%0.442SS*.Hα-helixtrans-65.6-43.9174.9-164175.222.900111.9S6 R7 R8 N13 R14S6-Q10 WeakPolarHBondContact O-CB 2.79Å; S6-Q10 PolarHBondContact O-N 2.88Å; R7-Q10 WeakPolarHBondContact O-CB 2.93Å; R7-Q10 PolarHBondContact O-N 3.39Å; R8-Q10 VanDerWaalsContact C-N 3.28Å; R8-Q10 PolarHBondContact O-N 3.25Å; Q10-N13 PolarHBondContact O-N 3.18Å; Q10-R14 WeakPolarHBondContact O-CB 3.5Å; Q10-R14 PolarHBondContact O-N 2.83Å
11T70.4Confident64.9Low49 Ų4992 Ų9230%0.30145%0.449SS..Hα-helixtrans-60.6-47.7173.7-58.40000111.1R7 R8 N13 R14 L15R7-T11 PolarHBondContact O-N 3.26Å; R7-T11 PolarHBondContact O-OG1 3.47Å; R8-T11 PolarHBondContact O-N 2.63Å; T11-N13 VanDerWaalsContact C-N 3.34Å; T11-N13 PolarHBondContact O-N 2.78Å; T11-R14 WeakPolarHBondContact O-CB 3.45Å; T11-R14 PolarHBondContact O-N 2.72Å; T11-L15 HydrophobicContact CG2-CD1 3.91Å; T11-L15 HydrophobicContact CG2-CG 4.26Å; T11-L15 WeakPolarHBondContact O-CB 3.39Å; T11-L15 VanDerWaalsContact O-CG 3.24Å; T11-L15 WeakPolarHBondContact O-CG 3.38Å; T11-L15 PolarHBondContact O-N 2.96Å
12R69.7Low65.2Low78 Ų7887.6 Ų87.629%0.29442%0.424SS..Hα-helixtrans-59-44176.4-174.8-172.966.4-176.4-4.5111.8R8 N9 L15 R16 T213R8-R12 WeakPolarHBondContact O-CB 2.93Å; R8-R12 PolarHBondContact O-N 3.47Å; N9-R12 PolarHBondContact O-N 2.98Å; N9-R12 PolarHBondContact OD1-NH2 2.79Å; R12-L15 PolarHBondContact O-N 2.76Å; R12-R16 WeakPolarHBondContact O-CB 3.49Å; R12-R16 WeakPolarHBondContact O-CG 3.18Å; R12-R16 PolarHBondContact O-N 2.71Å; R12-T213 HydrophobicContact CG-CG2 4.09Å
13N71.5Confident65Low88 Ų8895 Ų9547%0.47144%0.438SS..Hα-helixtrans-66.6-39.1178.7-70.2-11.4000111.4N9 Q10 T11 A17N9-N13 WeakPolarHBondContact O-CB 3.44Å; N9-N13 PolarHBondContact O-N 2.86Å; N9-N13 PolarHBondContact O-ND2 2.94Å; N9-N13 PolarHBondContact O-OD1 2.97Å; Q10-N13 PolarHBondContact O-N 3.18Å; T11-N13 VanDerWaalsContact C-N 3.34Å; T11-N13 PolarHBondContact O-N 2.78Å; N13-A17 WeakPolarHBondContact O-CB 3.45Å; N13-A17 PolarHBondContact O-N 3.41Å
14R74.2Confident64.6Low140 Ų14094.6 Ų94.653%0.52843%0.433SS..Hα-helixtrans-61.8-48.4172.9-170.3-172.374.4-178-0.3111.3Q10 T11 A17 Q18Q10-R14 WeakPolarHBondContact O-CB 3.5Å; Q10-R14 PolarHBondContact O-N 2.83Å; T11-R14 WeakPolarHBondContact O-CB 3.45Å; T11-R14 PolarHBondContact O-N 2.72Å; R14-A17 CarbonylContact O-C 3.55Å; R14-A17 WeakPolarHBondContact O-CA 2.96Å; R14-A17 WeakPolarHBondContact O-CB 3.28Å; R14-A17 PolarHBondContact O-N 2.86Å; R14-A17 VanDerWaalsContact O-N 3.07Å; R14-Q18 WeakPolarHBondContact O-CG 3.29Å; R14-Q18 PolarHBondContact O-N 3.18Å
15L60Low64.7Low0 Ų091.6 Ų91.60%041%0.414CS..Hα-helixtrans-61.3-45178.9-74.9177.6000111.6T11 R12 A17 Q18 L19 L26 Q29 W132T11-L15 HydrophobicContact CG2-CD1 3.91Å; T11-L15 HydrophobicContact CG2-CG 4.26Å; T11-L15 WeakPolarHBondContact O-CB 3.39Å; T11-L15 VanDerWaalsContact O-CG 3.24Å; T11-L15 WeakPolarHBondContact O-CG 3.38Å; T11-L15 PolarHBondContact O-N 2.96Å; R12-L15 PolarHBondContact O-N 2.76Å; L15-A17 VanDerWaalsContact C-N 3.28Å; L15-A17 PolarHBondContact O-N 2.97Å; L15-Q18 PolarHBondContact O-N 3.03Å; L15-Q18 VanDerWaalsContact O-N 3.16Å; L15-L19 PolarHBondContact O-N 3.45Å; L15-L26 HydrophobicContact CB-CD1 4.44Å; L15-L26 HydrophobicContact CB-CD2 3.57Å; L15-L26 HydrophobicContact CD1-CD2 4.33Å; L15-L26 HydrophobicContact CD2-CD2 3.68Å; L15-L26 HydrophobicContact CG-CD2 4.02Å; L15-Q29 HydrophobicContact CD1-CB 4.45Å; L15-Q29 HydrophobicContact CD1-CG 4.19Å; L15-Q29 HydrophobicContact CD2-CG 4.13Å; L15-W132 HydrophobicContact CD1-CH2 3.73Å; L15-W132 HydrophobicContact CD1-CZ3 3.63Å
16R67.6Low65Low87 Ų8787.7 Ų87.733%0.32839%0.39SS..Hα-helixtrans-59.2-37.1171.8-74.8178.1175.9-172.6-3.7112.5R12 R20 T213R12-R16 WeakPolarHBondContact O-CB 3.49Å; R12-R16 WeakPolarHBondContact O-CG 3.18Å; R12-R16 PolarHBondContact O-N 2.71Å; R16-R20 WeakPolarHBondContact O-CG 3.31Å; R16-R20 PolarHBondContact O-N 2.79Å; R16-T213 PolarHBondContact NE-OG1 3.3Å; R16-T213 VanDerWaalsContact NE-OG1 3.14Å; R16-T213 PolarHBondContact NH2-OG1 3.37Å
17A61.8Low65.5Low42 Ų4284.5 Ų84.535%0.34737%0.368SS..Hα-helixtrans-73.5-31.6176.400000113N13 R14 L15 K21N13-A17 WeakPolarHBondContact O-CB 3.45Å; N13-A17 PolarHBondContact O-N 3.41Å; R14-A17 CarbonylContact O-C 3.55Å; R14-A17 WeakPolarHBondContact O-CA 2.96Å; R14-A17 WeakPolarHBondContact O-CB 3.28Å; R14-A17 PolarHBondContact O-N 2.86Å; R14-A17 VanDerWaalsContact O-N 3.07Å; L15-A17 VanDerWaalsContact C-N 3.28Å; L15-A17 PolarHBondContact O-N 2.97Å; A17-K21 WeakPolarHBondContact O-CG 3.46Å
18Q60Low66.1Low39 Ų3982.5 Ų82.518%0.18237%0.367CS..Hα-helixtrans-74.4-35174.5-74.3171.5-63.300112.2R14 L15 K21 K22 R23 E24R14-Q18 WeakPolarHBondContact O-CG 3.29Å; R14-Q18 PolarHBondContact O-N 3.18Å; L15-Q18 PolarHBondContact O-N 3.03Å; L15-Q18 VanDerWaalsContact O-N 3.16Å; Q18-K21 CarbonylContact O-C 3.42Å; Q18-K21 WeakPolarHBondContact O-CA 3.45Å; Q18-K21 WeakPolarHBondContact O-CB 3.41Å; Q18-K21 PolarHBondContact O-N 3.31Å; Q18-K22 PolarHBondContact O-N 2.88Å; Q18-K22 VanDerWaalsContact O-N 3.11Å; Q18-R23 PolarHBondContact O-N 3.19Å; Q18-E24 PolarHBondContact NE2-OE1 2.88Å; Q18-E24 PolarHBondContact NE2-OE2 3.48Å; Q18-E24 PolarHBondContact OE1-OE2 2.88Å; Q18-E24 VanDerWaalsContact OE1-OE2 3.07Å
19L54.8Low66.8Low17 Ų1781.7 Ų81.79%0.08937%0.367CS..Hα-helixtrans-55.9-49.5168-90-177.6000112.2L15 K21 K22 L26 Q209 D210L15-L19 PolarHBondContact O-N 3.45Å; L19-K21 PolarHBondContact O-N 3.31Å; L19-K22 PolarHBondContact O-N 2.7Å; L19-L26 HydrophobicContact CD1-CD1 3.18Å; L19-L26 HydrophobicContact CD1-CD2 4.46Å; L19-L26 HydrophobicContact CD1-CG 3.62Å; L19-L26 HydrophobicContact CD2-CD1 4.29Å; L19-L26 HydrophobicContact CD2-CD2 4.5Å; L19-L26 HydrophobicContact CD2-CG 3.75Å; L19-L26 HydrophobicContact CG-CD1 3.63Å; L19-L26 HydrophobicContact CG-CD2 4Å; L19-L26 HydrophobicContact CG-CG 3.47Å; L19-L26 VanDerWaalsContact CG-CG 3.47Å; L19-Q209 HydrophobicContact CD1-CB 4.07Å; L19-Q209 HydrophobicContact CD2-CB 3.63Å; L19-Q209 HydrophobicContact CD2-CG 4.32Å; L19-Q209 VanDerWaalsContact CD2-OE1 3.28Å; L19-Q209 HydrophobicContact CG-CB 4.49Å; L19-D210 HydrophobicContact CD1-CB 4.43Å
20R59.8Low67.6Low223 Ų22378.7 Ų78.784%0.84235%0.351SS*.THydrogen-bonded Turntrans-56.8-20.6175.4-70.6175.7-176.9179.7-0.5113R16R16-R20 WeakPolarHBondContact O-CG 3.31Å; R16-R20 PolarHBondContact O-N 2.79Å
21K55.6Low68.4Low138 Ų13874 Ų7460%0.633%0.331SS*.THydrogen-bonded Turntrans-99.7-1178.4-64.5176.3-176.9-177.10113.4A17 Q18 L19 R23A17-K21 WeakPolarHBondContact O-CG 3.46Å; Q18-K21 CarbonylContact O-C 3.42Å; Q18-K21 WeakPolarHBondContact O-CA 3.45Å; Q18-K21 WeakPolarHBondContact O-CB 3.41Å; Q18-K21 PolarHBondContact O-N 3.31Å; L19-K21 PolarHBondContact O-N 3.31Å; K21-R23 VanDerWaalsContact C-N 3.25Å; K21-R23 HydrophobicContact CB-CG 4.21Å; K21-R23 WeakPolarHBondContact O-CG 3.36Å; K21-R23 PolarHBondContact O-N 3.4Å
22K55.4Low69.5Low140 Ų14073 Ų7361%0.60932%0.322SS*.THydrogen-bonded Turntrans53.733.5-177.2-55.6-163171.2-145.30114.8Q18 L19 D88Q18-K22 PolarHBondContact O-N 2.88Å; Q18-K22 VanDerWaalsContact O-N 3.11Å; L19-K22 PolarHBondContact O-N 2.7Å; K22-D88 VanDerWaalsContact CE-OD1 3.25Å; K22-D88 WeakPolarHBondContact CE-OD1 3.25Å; K22-D88 WeakPolarHBondContact CE-OD2 3.46Å; K22-D88 IonicContact NZ-OD1 2.86Å; K22-D88 PolarHBondContact NZ-OD1 3.14Å; K22-D88 IonicContact NZ-OD2 3.9Å
23R51.9Low70.7Confident199 Ų19971.5 Ų71.575%0.75132%0.318SS*.  trans-100.7-17.4-170.6-80.5-178.3176.2-166-3.3115.6Q18 K21Q18-R23 PolarHBondContact O-N 3.19Å; K21-R23 VanDerWaalsContact C-N 3.25Å; K21-R23 HydrophobicContact CB-CG 4.21Å; K21-R23 WeakPolarHBondContact O-CG 3.36Å; K21-R23 PolarHBondContact O-N 3.4Å
24E58Low71.8Confident79 Ų7967.3 Ų67.337%0.36930%0.295SS..SBendtrans-144.6148.4-175.3-72.1-179.1-176.700111.2Q18Q18-E24 PolarHBondContact NE2-OE1 2.88Å; Q18-E24 PolarHBondContact NE2-OE2 3.48Å; Q18-E24 PolarHBondContact OE1-OE2 2.88Å; Q18-E24 VanDerWaalsContact OE1-OE2 3.07Å
25S67.6Low72.8Confident19 Ų1961 Ų6113%0.13327%0.271CS..  trans-77.1115.8165.6170.90000109.2A27 D28 M59S25-A27 PolarHBondContact O-N 3.05Å; S25-A27 PolarHBondContact OG-N 2.79Å; S25-D28 WeakPolarHBondContact CB-OD2 3.42Å; S25-D28 PolarHBondContact OG-N 2.82Å; S25-D28 PolarHBondContact OG-OD1 2.82Å; S25-M59 VanDerWaalsContact OG-CG 3.24Å; S25-M59 WeakPolarHBondContact OG-CG 3.22Å; S25-M59 PolarHBondContact OG-SD 2.86Å
26L73.4Confident74.5Confident0 Ų061 Ų610%027%0.271CS..SBendtrans-66.4-29.1169.8-74.3-150.9000112.3L15 L19 D28 Q29 F30 Q209 L212 T213L15-L26 HydrophobicContact CB-CD1 4.44Å; L15-L26 HydrophobicContact CB-CD2 3.57Å; L15-L26 HydrophobicContact CD1-CD2 4.33Å; L15-L26 HydrophobicContact CD2-CD2 3.68Å; L15-L26 HydrophobicContact CG-CD2 4.02Å; L19-L26 HydrophobicContact CD1-CD1 3.18Å; L19-L26 HydrophobicContact CD1-CD2 4.46Å; L19-L26 HydrophobicContact CD1-CG 3.62Å; L19-L26 HydrophobicContact CD2-CD1 4.29Å; L19-L26 HydrophobicContact CD2-CD2 4.5Å; L19-L26 HydrophobicContact CD2-CG 3.75Å; L19-L26 HydrophobicContact CG-CD1 3.63Å; L19-L26 HydrophobicContact CG-CD2 4Å; L19-L26 HydrophobicContact CG-CG 3.47Å; L19-L26 VanDerWaalsContact CG-CG 3.47Å; L26-D28 PolarHBondContact O-N 2.89Å; L26-Q29 WeakPolarHBondContact O-CB 3.14Å; L26-Q29 PolarHBondContact O-N 3.03Å; L26-F30 HydrophobicContact CB-CE2 4.38Å; L26-F30 WeakPolarHBondContact O-CD2 3.44Å; L26-F30 WeakPolarHBondContact O-CE2 3.43Å; L26-Q209 HydrophobicContact CB-CB 4.5Å; L26-L212 HydrophobicContact CB-CD1 3.71Å; L26-T213 HydrophobicContact CD1-CG2 4.01Å
27A79.4Confident75.8Confident1 Ų156.8 Ų56.81%0.00826%0.256CS..G310 helixtrans-58.3-32.3-176.900000112.3S25 Q29 F30 F32 P57 M59 V90 L212S25-A27 PolarHBondContact O-N 3.05Å; S25-A27 PolarHBondContact OG-N 2.79Å; A27-Q29 PolarHBondContact O-N 3.3Å; A27-Q29 VanDerWaalsContact O-N 3.13Å; A27-F30 PolarHBondContact O-N 2.79Å; A27-F30 VanDerWaalsContact O-N 3.1Å; A27-F32 HydrophobicContact CB-CE2 4.22Å; A27-F32 HydrophobicContact CB-CZ 4.26Å; A27-P57 HydrophobicContact CB-CB 3.85Å; A27-M59 HydrophobicContact CB-SD 4.45Å; A27-V90 HydrophobicContact CB-CB 4.26Å; A27-V90 HydrophobicContact CB-CG2 3.57Å; A27-L212 HydrophobicContact CB-CD1 4.28Å
28D81.3Confident77.4Confident91 Ų9154.8 Ų54.849%0.48724%0.239SC..G310 helixtrans-66.1-17.3-179.5-58.6-1.2000113.2S25 L26 K133S25-D28 WeakPolarHBondContact CB-OD2 3.42Å; S25-D28 PolarHBondContact OG-N 2.82Å; S25-D28 PolarHBondContact OG-OD1 2.82Å; L26-D28 PolarHBondContact O-N 2.89Å; D28-K133 WeakPolarHBondContact O-CD 3.49Å
29Q84.1Confident79.1Confident77 Ų7753.9 Ų53.936%0.3624%0.236SC..G310 helixtrans-90.3-3.6179.5-55.9-61-53.500113.1L15 L26 A27 W132 K133L15-Q29 HydrophobicContact CD1-CB 4.45Å; L15-Q29 HydrophobicContact CD1-CG 4.19Å; L15-Q29 HydrophobicContact CD2-CG 4.13Å; L26-Q29 WeakPolarHBondContact O-CB 3.14Å; L26-Q29 PolarHBondContact O-N 3.03Å; A27-Q29 PolarHBondContact O-N 3.3Å; A27-Q29 VanDerWaalsContact O-N 3.13Å; Q29-W132 HydrophobicContact CB-CE3 4.32Å; Q29-W132 HydrophobicContact CB-CZ3 4.07Å; Q29-K133 WeakPolarHBondContact O-CB 3.38Å; Q29-K133 PolarHBondContact O-N 3.09Å
30F89.1Confident80.9Confident7 Ų753.9 Ų53.93%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-124.4144.7-176.3-61.1-81.9000112L26 A27 F32 R131 W132 L212 T213 W215L26-F30 HydrophobicContact CB-CE2 4.38Å; L26-F30 WeakPolarHBondContact O-CD2 3.44Å; L26-F30 WeakPolarHBondContact O-CE2 3.43Å; A27-F30 PolarHBondContact O-N 2.79Å; A27-F30 VanDerWaalsContact O-N 3.1Å; F30-F32 HydrophobicContact CB-CE1 4.08Å; F30-F32 HydrophobicContact CB-CE2 4.13Å; F30-F32 HydrophobicContact CB-CZ 3.73Å; F30-R131 CarbonylContact C-O 3.57Å; F30-R131 WeakPolarHBondContact CA-O 3.38Å; F30-R131 WeakPolarHBondContact CB-O 3.46Å; F30-R131 WeakPolarHBondContact CD1-O 3.32Å; F30-W132 HydrophobicContact CD1-CD2 4.4Å; F30-W132 HydrophobicContact CD1-CE3 4.08Å; F30-W132 HydrophobicContact CD1-CZ3 4.34Å; F30-W132 AromaticContact CE1-CD2 3.85Å; F30-W132 HydrophobicContact CE1-CD2 3.85Å; F30-W132 AromaticContact CE1-CE3 3.58Å; F30-W132 HydrophobicContact CE1-CE3 3.58Å; F30-W132 AromaticContact CE1-CH2 3.74Å; F30-W132 HydrophobicContact CE1-CH2 3.74Å; F30-W132 HydrophobicContact CE1-CZ2 4Å; F30-W132 AromaticContact CE1-CZ3 3.52Å; F30-W132 HydrophobicContact CE1-CZ3 3.52Å; F30-W132 HydrophobicContact CE2-CH2 4.43Å; F30-W132 HydrophobicContact CE2-CZ3 4.04Å; F30-W132 HydrophobicContact CZ-CD2 4.5Å; F30-W132 AromaticContact CZ-CE3 3.9Å; F30-W132 HydrophobicContact CZ-CE3 3.9Å; F30-W132 AromaticContact CZ-CH2 3.44Å; F30-W132 HydrophobicContact CZ-CH2 3.44Å; F30-W132 VanDerWaalsContact CZ-CH2 3.44Å; F30-W132 HydrophobicContact CZ-CZ2 4.1Å; F30-W132 AromaticContact CZ-CZ3 3.33Å; F30-W132 HydrophobicContact CZ-CZ3 3.33Å; F30-L212 HydrophobicContact CD2-CB 4.15Å; F30-L212 HydrophobicContact CD2-CD1 4.47Å; F30-L212 HydrophobicContact CE2-CB 3.89Å; F30-L212 HydrophobicContact CZ-CB 4.46Å; F30-T213 HydrophobicContact CZ-CG2 4.21Å; F30-W215 AromaticContact CD1-CZ2 3.85Å; F30-W215 HydrophobicContact CD1-CZ2 3.85Å; F30-W215 HydrophobicContact CE1-CH2 4.11Å; F30-W215 AromaticContact CE1-CZ2 3.56Å; F30-W215 HydrophobicContact CE1-CZ2 3.56Å
31D90.9Very high82.5Confident40 Ų4048 Ų4821%0.21422%0.216CC..EExtended strand (participates in β ladder)trans-89.9146.2159.8-61.9-34000108.6S130 R131 F140D31-S130 WeakPolarHBondContact O-CA 3.12Å; D31-S130 WeakPolarHBondContact O-CB 3.08Å; D31-R131 HydrophobicContact CB-CG 3.91Å; D31-R131 PolarHBondContact N-O 3.38Å; D31-R131 PolarHBondContact O-N 2.87Å; D31-R131 IonicContact OD2-CZ 3.74Å; D31-R131 IonicContact OD2-NE 3.6Å; D31-R131 PolarHBondContact OD2-NE 3.22Å; D31-R131 VanDerWaalsContact OD2-NE 3.17Å; D31-R131 IonicContact OD2-NH2 2.7Å; D31-R131 PolarHBondContact OD2-NH2 2.73Å; D31-F140 HydrophobicContact CB-CE1 3.95Å; D31-F140 HydrophobicContact CB-CZ 4Å
32F92.9Very high84.2Confident28 Ų2847.1 Ų47.112%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-120.5147.5-177.5-62.6-73.8000112.4A27 F30 V55 P57 L92 L128 F129 L212A27-F32 HydrophobicContact CB-CE2 4.22Å; A27-F32 HydrophobicContact CB-CZ 4.26Å; F30-F32 HydrophobicContact CB-CE1 4.08Å; F30-F32 HydrophobicContact CB-CE2 4.13Å; F30-F32 HydrophobicContact CB-CZ 3.73Å; F32-V55 HydrophobicContact CB-CB 3.99Å; F32-V55 HydrophobicContact CB-CG1 3.77Å; F32-V55 HydrophobicContact CB-CG2 4.26Å; F32-V55 HydrophobicContact CG-CG1 4.35Å; F32-P57 HydrophobicContact CE2-CB 4.2Å; F32-P57 HydrophobicContact CE2-CG 4.39Å; F32-L92 HydrophobicContact CD1-CD1 4.38Å; F32-L92 HydrophobicContact CD1-CD2 4.32Å; F32-L92 HydrophobicContact CD2-CD2 4.01Å; F32-L92 HydrophobicContact CE1-CD2 4.34Å; F32-L92 HydrophobicContact CE2-CD2 4.04Å; F32-L92 HydrophobicContact CG-CD2 4.15Å; F32-L92 HydrophobicContact CZ-CD2 4.2Å; F32-L128 HydrophobicContact CB-CD1 4.5Å; F32-L128 HydrophobicContact CD1-CD1 4.01Å; F32-F129 WeakPolarHBondContact CA-O 3.49Å; F32-L212 HydrophobicContact CE1-CD2 3.33Å; F32-L212 HydrophobicContact CZ-CD2 3.48Å; F32-L212 VanDerWaalsContact CZ-CD2 3.48Å
33K94.4Very high85.4Confident46 Ų4650.4 Ų50.420%0.223%0.228CC..EExtended strand (participates in β ladder)trans-135.3130.5169.4-161168.4-164.4-176.50109.5Y35 E51 F129 F140 I220K33-Y35 HydrophobicContact CD-CE2 3.84Å; K33-Y35 WeakPolarHBondContact CE-OH 2.77Å; K33-Y35 HydrophobicContact CG-CE2 3.85Å; K33-Y35 PolarHBondContact NZ-OH 3Å; K33-E51 WeakPolarHBondContact CE-OE1 3.48Å; K33-E51 IonicContact NZ-OE1 3.9Å; K33-E51 PolarHBondContact NZ-OE1 2.75Å; K33-E51 IonicContact NZ-OE2 2.73Å; K33-E51 PolarHBondContact NZ-OE2 3.03Å; K33-F129 HydrophobicContact CB-CB 4.31Å; K33-F129 PolarHBondContact N-O 3.18Å; K33-F129 PolarHBondContact O-N 3.37Å; K33-F140 HydrophobicContact CB-CD1 3.81Å; K33-F140 HydrophobicContact CB-CE1 3.91Å; K33-F140 HydrophobicContact CB-CG 4.25Å; K33-F140 HydrophobicContact CB-CZ 4.42Å; K33-F140 HydrophobicContact CD-CD2 4.49Å; K33-I220 HydrophobicContact CD-CD1 3.79Å
34I96Very high86.8Confident0 Ų050 Ų500%023%0.232CC..EExtended strand (participates in β ladder)trans-121.8137179.7-63172.3000109.6I36 V52 V55 L92 L127 L128 L205I34-I36 HydrophobicContact CG2-CG1 4.23Å; I34-V52 HydrophobicContact CB-CB 3.86Å; I34-V52 HydrophobicContact CB-CG1 4.49Å; I34-V52 HydrophobicContact CB-CG2 3.68Å; I34-V52 HydrophobicContact CG2-CB 4.33Å; I34-V52 HydrophobicContact CG2-CG2 3.57Å; I34-V52 WeakPolarHBondContact O-CB 3.33Å; I34-V52 WeakPolarHBondContact O-CG2 3.24Å; I34-V52 PolarHBondContact O-N 3.48Å; I34-V55 HydrophobicContact CB-CG2 4.18Å; I34-V55 HydrophobicContact CD1-CB 4.41Å; I34-V55 HydrophobicContact CD1-CG1 3.72Å; I34-V55 HydrophobicContact CD1-CG2 3.77Å; I34-V55 HydrophobicContact CG1-CG1 4.43Å; I34-V55 HydrophobicContact CG1-CG2 3.81Å; I34-L92 HydrophobicContact CD1-CB 4.04Å; I34-L127 CarbonylContact C-O 3.53Å; I34-L127 VanDerWaalsContact CA-O 3.32Å; I34-L127 WeakPolarHBondContact CA-O 3.33Å; I34-L128 HydrophobicContact CD1-CD1 4.07Å; I34-L128 HydrophobicContact CG1-CD1 3.55Å; I34-L205 HydrophobicContact CD1-CD1 3.86Å; I34-L205 HydrophobicContact CD1-CG 4.49Å; I34-L205 HydrophobicContact CG1-CD1 4.32Å; I34-L205 HydrophobicContact CG2-CD1 4.34Å
35Y95.4Very high88Confident7 Ų750.1 Ų50.13%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-118.9141.7167.2-66.3-91.6000110.2K33 F50 E51 M100 C126 L127 F129 I220 L224K33-Y35 HydrophobicContact CD-CE2 3.84Å; K33-Y35 WeakPolarHBondContact CE-OH 2.77Å; K33-Y35 HydrophobicContact CG-CE2 3.85Å; K33-Y35 PolarHBondContact NZ-OH 3Å; Y35-F50 CarbonylContact C-O 3.57Å; Y35-F50 VanDerWaalsContact CA-O 3.28Å; Y35-F50 WeakPolarHBondContact CA-O 3.14Å; Y35-E51 HydrophobicContact CD1-CB 3.91Å; Y35-E51 HydrophobicContact CD1-CG 4.25Å; Y35-E51 HydrophobicContact CE1-CB 3.63Å; Y35-E51 HydrophobicContact CE1-CG 3.7Å; Y35-E51 VanDerWaalsContact CE1-OE2 3.24Å; Y35-E51 WeakPolarHBondContact CE1-OE2 3.38Å; Y35-E51 PolarHBondContact OH-OE2 3.09Å; Y35-M100 HydrophobicContact CE1-CE 4.02Å; Y35-M100 HydrophobicContact CE1-SD 4.18Å; Y35-C126 CarbonylContact O-C 3.48Å; Y35-C126 WeakPolarHBondContact O-CA 3.47Å; Y35-L127 PolarHBondContact N-O 2.93Å; Y35-L127 PolarHBondContact O-N 3.07Å; Y35-F129 AromaticContact CD2-CD2 3.99Å; Y35-F129 HydrophobicContact CD2-CD2 3.99Å; Y35-F129 AromaticContact CD2-CE2 3.7Å; Y35-F129 HydrophobicContact CD2-CE2 3.7Å; Y35-F129 HydrophobicContact CE2-CD2 4.29Å; Y35-F129 HydrophobicContact CE2-CE2 4.2Å; Y35-I220 HydrophobicContact CD2-CG2 4.43Å; Y35-I220 HydrophobicContact CE2-CD1 4.36Å; Y35-I220 HydrophobicContact CE2-CG1 4.46Å; Y35-I220 HydrophobicContact CE2-CG2 3.6Å; Y35-L224 HydrophobicContact CD1-CD1 3.87Å; Y35-L224 HydrophobicContact CD1-CD2 3.98Å; Y35-L224 HydrophobicContact CD2-CD1 4.35Å; Y35-L224 HydrophobicContact CD2-CD2 4.05Å; Y35-L224 HydrophobicContact CE1-CD1 3.69Å; Y35-L224 HydrophobicContact CE2-CD1 4.17Å; Y35-L224 HydrophobicContact CG-CD1 4.19Å; Y35-L224 HydrophobicContact CG-CD2 3.67Å; Y35-L224 HydrophobicContact CG-CG 4.5Å
36I95.7Very high88.9Confident0 Ų053.6 Ų53.60%024%0.244CC..EExtended strand (participates in β ladder)trans-119.5121.5179.8-55172.6000108.2I34 F38 F50 V52 M111 I124I34-I36 HydrophobicContact CG2-CG1 4.23Å; I36-F38 HydrophobicContact CG2-CD2 4.44Å; I36-F38 HydrophobicContact CG2-CE2 3.85Å; I36-F38 HydrophobicContact CG2-CZ 4.01Å; I36-F50 PolarHBondContact N-O 2.84Å; I36-F50 PolarHBondContact O-N 3.47Å; I36-V52 HydrophobicContact CD1-CG2 3.68Å; I36-V52 HydrophobicContact CG1-CG2 3.89Å; I36-M111 HydrophobicContact CD1-CE 3.5Å; I36-I124 HydrophobicContact CG2-CG2 3.94Å
37A95.3Very high89.7Confident0 Ų054.4 Ų54.40%025%0.25CC..EExtended strand (participates in β ladder)trans-113.3121.917600000110.4A48 L49 I124 V125 Y227A37-A48 WeakPolarHBondContact CA-O 3.14Å; A37-L49 HydrophobicContact CB-CD1 3.95Å; A37-I124 WeakPolarHBondContact O-CA 3.34Å; A37-V125 HydrophobicContact CB-CB 4.42Å; A37-V125 PolarHBondContact N-O 2.97Å; A37-V125 PolarHBondContact O-N 3.09Å; A37-Y227 HydrophobicContact CB-CD1 3.67Å; A37-Y227 HydrophobicContact CB-CE1 4.29Å; A37-Y227 HydrophobicContact CB-CG 3.79Å
38F94.8Very high90.3Very high0 Ų055.4 Ų55.40%026%0.258CS..EExtended strand (participates in β ladder)trans-91104.5166.2-57.7-92.9000108I36 S47 A48 F50 F113 L115 I124 L200I36-F38 HydrophobicContact CG2-CD2 4.44Å; I36-F38 HydrophobicContact CG2-CE2 3.85Å; I36-F38 HydrophobicContact CG2-CZ 4.01Å; F38-S47 WeakPolarHBondContact O-CA 3.33Å; F38-S47 WeakPolarHBondContact O-CB 3.38Å; F38-A48 HydrophobicContact CB-CB 4.22Å; F38-A48 HydrophobicContact CD2-CB 4.35Å; F38-A48 PolarHBondContact N-O 3.48Å; F38-A48 PolarHBondContact O-N 3.31Å; F38-F50 AromaticContact CD2-CD2 3.84Å; F38-F50 HydrophobicContact CD2-CD2 3.84Å; F38-F50 AromaticContact CD2-CE2 3.63Å; F38-F50 HydrophobicContact CD2-CE2 3.63Å; F38-F50 AromaticContact CE2-CD2 3.7Å; F38-F50 HydrophobicContact CE2-CD2 3.7Å; F38-F50 AromaticContact CE2-CE2 3.67Å; F38-F50 HydrophobicContact CE2-CE2 3.67Å; F38-F113 HydrophobicContact CB-CZ 4.11Å; F38-F113 AromaticContact CD1-CD1 3.95Å; F38-F113 HydrophobicContact CD1-CD1 3.95Å; F38-F113 AromaticContact CD1-CE1 3.75Å; F38-F113 HydrophobicContact CD1-CE1 3.75Å; F38-F113 HydrophobicContact CD1-CE2 4.38Å; F38-F113 HydrophobicContact CD1-CG 4.36Å; F38-F113 AromaticContact CD1-CZ 3.97Å; F38-F113 HydrophobicContact CD1-CZ 3.97Å; F38-F113 HydrophobicContact CD2-CD2 4.01Å; F38-F113 AromaticContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CG 4.49Å; F38-F113 HydrophobicContact CD2-CZ 4.09Å; F38-F113 HydrophobicContact CE1-CB 4.41Å; F38-F113 AromaticContact CE1-CD1 3.71Å; F38-F113 HydrophobicContact CE1-CD1 3.71Å; F38-F113 HydrophobicContact CE1-CD2 4.36Å; F38-F113 HydrophobicContact CE1-CE1 4.02Å; F38-F113 AromaticContact CE1-CG 3.9Å; F38-F113 HydrophobicContact CE1-CG 3.9Å; F38-F113 HydrophobicContact CE1-CZ 4.45Å; F38-F113 AromaticContact CE2-CD2 3.74Å; F38-F113 HydrophobicContact CE2-CD2 3.74Å; F38-F113 HydrophobicContact CE2-CE2 4.02Å; F38-F113 HydrophobicContact CE2-CG 4.02Å; F38-F113 HydrophobicContact CG-CD1 4.48Å; F38-F113 HydrophobicContact CG-CD2 4.42Å; F38-F113 HydrophobicContact CG-CE1 4.06Å; F38-F113 AromaticContact CG-CE2 3.98Å; F38-F113 HydrophobicContact CG-CE2 3.98Å; F38-F113 AromaticContact CG-CZ 3.78Å; F38-F113 HydrophobicContact CG-CZ 3.78Å; F38-F113 HydrophobicContact CZ-CB 3.99Å; F38-F113 HydrophobicContact CZ-CD1 4.03Å; F38-F113 AromaticContact CZ-CD2 3.94Å; F38-F113 HydrophobicContact CZ-CD2 3.94Å; F38-F113 HydrophobicContact CZ-CE2 4.44Å; F38-F113 AromaticContact CZ-CG 3.7Å; F38-F113 HydrophobicContact CZ-CG 3.7Å; F38-L115 HydrophobicContact CD1-CD2 4.17Å; F38-L115 HydrophobicContact CE1-CD2 3.88Å; F38-I124 HydrophobicContact CD1-CD1 4.25Å; F38-I124 HydrophobicContact CD1-CG1 3.84Å; F38-I124 HydrophobicContact CD1-CG2 4.41Å; F38-I124 HydrophobicContact CE1-CD1 3.94Å; F38-I124 HydrophobicContact CE1-CG1 3.99Å; F38-I124 HydrophobicContact CE1-CG2 4.22Å; F38-L200 HydrophobicContact CE1-CD2 4.12Å; F38-L200 HydrophobicContact CZ-CD2 3.88Å
39V94.8Very high90.9Very high20 Ų2051.2 Ų51.212%0.12124%0.235CC..EExtended strand (participates in β ladder)trans-85.8127.7-179.1-175.90000108.4E122 K123 V125 Y227V39-E122 PolarHBondContact O-N 3.21Å; V39-K123 HydrophobicContact CB-CG 4.02Å; V39-K123 HydrophobicContact CG2-CG 4.23Å; V39-K123 PolarHBondContact N-O 2.85Å; V39-K123 PolarHBondContact O-N 2.85Å; V39-V125 HydrophobicContact CG2-CG2 3.97Å; V39-Y227 HydrophobicContact CG2-CD1 3.92Å; V39-Y227 HydrophobicContact CG2-CE1 3.72Å
40F93.9Very high91.3Very high17 Ų1748.6 Ų48.68%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-92.1148.1179.9-59.3-66.5000111.7E42 K45 K46 A48 D120 I121F40-E42 PolarHBondContact O-N 2.84Å; F40-K45 HydrophobicContact CB-CB 4.16Å; F40-K45 HydrophobicContact CB-CD 3.85Å; F40-K45 HydrophobicContact CB-CG 4.18Å; F40-K45 HydrophobicContact CD1-CD 4.21Å; F40-K45 HydrophobicContact CD2-CB 4.31Å; F40-K45 HydrophobicContact CD2-CD 3.62Å; F40-K45 HydrophobicContact CD2-CG 3.59Å; F40-K45 HydrophobicContact CE2-CD 4.2Å; F40-K45 HydrophobicContact CE2-CG 4.23Å; F40-K45 HydrophobicContact CG-CD 3.62Å; F40-K45 HydrophobicContact CG-CG 4.03Å; F40-K46 WeakPolarHBondContact CD2-O 3.21Å; F40-K46 WeakPolarHBondContact CE2-O 3.22Å; F40-A48 HydrophobicContact CE2-CB 4.2Å; F40-A48 HydrophobicContact CZ-CB 4.06Å; F40-D120 CarbonylContact C-O 3.22Å; F40-D120 WeakPolarHBondContact CA-O 2.99Å; F40-D120 WeakPolarHBondContact CB-O 3.43Å; F40-D120 HydrophobicContact CD1-CB 4.49Å; F40-D120 WeakPolarHBondContact CD1-OD2 3.49Å; F40-D120 WeakPolarHBondContact CE1-OD2 3.32Å; F40-I121 HydrophobicContact CD1-CG1 4.1Å; F40-I121 HydrophobicContact CE1-CG1 4.05Å
41K93.1Very high91.5Very high100 Ų10050.2 Ų50.244%0.43523%0.231SC..SBendtrans-60.5-34.5178-65.1-178.7-175.7163.50112.2K43 N119 D120 I121 E122 H151K41-K43 PolarHBondContact O-N 2.85Å; K41-N119 VanDerWaalsContact CD-O 3.28Å; K41-N119 WeakPolarHBondContact CD-O 3.4Å; K41-N119 WeakPolarHBondContact CE-O 3.46Å; K41-N119 PolarHBondContact NZ-O 2.98Å; K41-D120 PolarHBondContact N-O 3.07Å; K41-I121 VanDerWaalsContact CE-O 3.22Å; K41-I121 WeakPolarHBondContact CE-O 3.45Å; K41-E122 HydrophobicContact CG-CB 3.91Å; K41-H151 PolarHBondContact NZ-CD2 3.3Å; K41-H151 VanDerWaalsContact NZ-CD2 3.34Å; K41-H151 PolarHBondContact NZ-NE2 2.83Å
42E90.1Very high91.6Very high119 Ų11948.7 Ų48.756%0.55622%0.223SC*.SBendtrans-74.2107.8175.1-176.6174.9-170.300109.6F40 K44 K45F40-E42 PolarHBondContact O-N 2.84Å; E42-K44 HydrophobicContact CG-CB 4.28Å; E42-K44 PolarHBondContact O-N 3.44Å; E42-K45 HydrophobicContact CB-CB 3.97Å; E42-K45 HydrophobicContact CG-CB 4.21Å; E42-K45 WeakPolarHBondContact O-CA 3.38Å; E42-K45 WeakPolarHBondContact O-CB 3.41Å; E42-K45 PolarHBondContact O-N 2.88Å
43K81Confident91.2Very high208 Ų20849.5 Ų49.590%0.90424%0.235SC*.THydrogen-bonded Turntrans-58.4-24.2-178-64.4-172.9177.2-176.30114.6K41 K45K41-K43 PolarHBondContact O-N 2.85Å; K43-K45 VanDerWaalsContact C-N 3.34Å
44K82.1Confident90.6Very high191 Ų19150.9 Ų50.983%0.8324%0.242SC*.THydrogen-bonded Turntrans-78.4-21.2175.6-66.3-174.6178.5-178.90112.5E42E42-K44 HydrophobicContact CG-CB 4.28Å; E42-K44 PolarHBondContact O-N 3.44Å
45K83.7Confident89.9Confident81 Ų8152 Ų5235%0.35225%0.248SC..SBendtrans-83.8119.6-179.4-170.5178175.6177.80109F40 E42 K43 D120F40-K45 HydrophobicContact CB-CB 4.16Å; F40-K45 HydrophobicContact CB-CD 3.85Å; F40-K45 HydrophobicContact CB-CG 4.18Å; F40-K45 HydrophobicContact CD1-CD 4.21Å; F40-K45 HydrophobicContact CD2-CB 4.31Å; F40-K45 HydrophobicContact CD2-CD 3.62Å; F40-K45 HydrophobicContact CD2-CG 3.59Å; F40-K45 HydrophobicContact CE2-CD 4.2Å; F40-K45 HydrophobicContact CE2-CG 4.23Å; F40-K45 HydrophobicContact CG-CD 3.62Å; F40-K45 HydrophobicContact CG-CG 4.03Å; E42-K45 HydrophobicContact CB-CB 3.97Å; E42-K45 HydrophobicContact CG-CB 4.21Å; E42-K45 WeakPolarHBondContact O-CA 3.38Å; E42-K45 WeakPolarHBondContact O-CB 3.41Å; E42-K45 PolarHBondContact O-N 2.88Å; K43-K45 VanDerWaalsContact C-N 3.34Å; K45-D120 IonicContact NZ-OD2 2.63Å; K45-D120 PolarHBondContact NZ-OD2 2.99Å
46K84.8Confident89.1Confident92 Ų9255.1 Ų55.140%0.427%0.266SS..PPolyproline II helixtrans-60.5140.1177.7-70.3169.6167.1-173.20111F40 P229 D230F40-K46 WeakPolarHBondContact CD2-O 3.21Å; F40-K46 WeakPolarHBondContact CE2-O 3.22Å; K46-P229 HydrophobicContact CB-CB 4.36Å; K46-P229 HydrophobicContact CD-CB 3.81Å; K46-D230 VanDerWaalsContact CE-N 3.31Å; K46-D230 WeakPolarHBondContact CE-OD2 3.28Å; K46-D230 PolarHBondContact NZ-O 3.18Å; K46-D230 IonicContact NZ-OD2 3.39Å; K46-D230 PolarHBondContact NZ-OD2 2.81Å
47S91.6Very high88.3Confident17 Ų1757.5 Ų57.512%0.11928%0.281CS..PPolyproline II helixtrans-60.7147.4175.4-61.70000110.9F38 L49F38-S47 WeakPolarHBondContact O-CA 3.33Å; F38-S47 WeakPolarHBondContact O-CB 3.38Å; S47-L49 PolarHBondContact O-N 2.86Å
48A91.6Very high87.1Confident22 Ų2259.8 Ų59.818%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-85.9108.1168.500000108.6A37 F38 F40 F50 F113A37-A48 WeakPolarHBondContact CA-O 3.14Å; F38-A48 HydrophobicContact CB-CB 4.22Å; F38-A48 HydrophobicContact CD2-CB 4.35Å; F38-A48 PolarHBondContact N-O 3.48Å; F38-A48 PolarHBondContact O-N 3.31Å; F40-A48 HydrophobicContact CE2-CB 4.2Å; F40-A48 HydrophobicContact CZ-CB 4.06Å; A48-F50 HydrophobicContact CB-CE2 3.73Å; A48-F50 HydrophobicContact CB-CZ 4.35Å; A48-F113 HydrophobicContact CB-CE2 4.37Å
49L93.1Very high85.7Confident3 Ų363 Ų632%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-103.6134.1-176.2-175.965.5000111.2A37 S47 M100 L224 M228A37-L49 HydrophobicContact CB-CD1 3.95Å; S47-L49 PolarHBondContact O-N 2.86Å; L49-M100 HydrophobicContact CB-CB 4.28Å; L49-M100 HydrophobicContact CD2-CB 4.18Å; L49-M100 HydrophobicContact CD2-CG 4.27Å; L49-M100 HydrophobicContact CG-CB 4.11Å; L49-M100 HydrophobicContact CG-CG 4.02Å; L49-M100 WeakPolarHBondContact O-CB 3.38Å; L49-M100 PolarHBondContact O-N 2.75Å; L49-L224 HydrophobicContact CD1-CD2 4.11Å; L49-L224 HydrophobicContact CD2-CB 4.47Å; L49-L224 HydrophobicContact CD2-CD1 4.41Å; L49-L224 HydrophobicContact CD2-CD2 4.18Å; L49-M228 HydrophobicContact CD2-CG 4.17Å
50F93.3Very high83.8Confident23 Ų2364.7 Ų64.710%0.10132%0.321CS..EExtended strand (participates in β ladder)trans-132.7141-179.8-59.6-94.7000110.7Y35 I36 F38 A48 Y97 Q98 F113Y35-F50 CarbonylContact C-O 3.57Å; Y35-F50 VanDerWaalsContact CA-O 3.28Å; Y35-F50 WeakPolarHBondContact CA-O 3.14Å; I36-F50 PolarHBondContact N-O 2.84Å; I36-F50 PolarHBondContact O-N 3.47Å; F38-F50 AromaticContact CD2-CD2 3.84Å; F38-F50 HydrophobicContact CD2-CD2 3.84Å; F38-F50 AromaticContact CD2-CE2 3.63Å; F38-F50 HydrophobicContact CD2-CE2 3.63Å; F38-F50 AromaticContact CE2-CD2 3.7Å; F38-F50 HydrophobicContact CE2-CD2 3.7Å; F38-F50 AromaticContact CE2-CE2 3.67Å; F38-F50 HydrophobicContact CE2-CE2 3.67Å; A48-F50 HydrophobicContact CB-CE2 3.73Å; A48-F50 HydrophobicContact CB-CZ 4.35Å; F50-Y97 HydrophobicContact CB-CD2 3.75Å; F50-Y97 HydrophobicContact CB-CG 4.21Å; F50-Y97 HydrophobicContact CD1-CD1 4.46Å; F50-Y97 AromaticContact CD1-CD2 3.59Å; F50-Y97 HydrophobicContact CD1-CD2 3.59Å; F50-Y97 AromaticContact CD1-CE2 3.72Å; F50-Y97 HydrophobicContact CD1-CE2 3.72Å; F50-Y97 AromaticContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD2-CD2 4.25Å; F50-Y97 HydrophobicContact CD2-CE2 4.26Å; F50-Y97 HydrophobicContact CE1-CD2 4.24Å; F50-Y97 AromaticContact CE1-CE2 3.89Å; F50-Y97 HydrophobicContact CE1-CE2 3.89Å; F50-Y97 HydrophobicContact CE2-CE2 4.4Å; F50-Y97 AromaticContact CG-CD2 3.6Å; F50-Y97 HydrophobicContact CG-CD2 3.6Å; F50-Y97 AromaticContact CG-CE2 3.93Å; F50-Y97 HydrophobicContact CG-CE2 3.93Å; F50-Y97 HydrophobicContact CG-CG 4.28Å; F50-Y97 HydrophobicContact CZ-CE2 4.23Å; F50-Q98 CarbonylContact C-O 3.48Å; F50-Q98 WeakPolarHBondContact CA-O 3.39Å; F50-F113 HydrophobicContact CE2-CD2 4.18Å; F50-F113 HydrophobicContact CE2-CE2 4.14Å; F50-F113 HydrophobicContact CZ-CD2 4.22Å; F50-F113 HydrophobicContact CZ-CE2 4.3Å
51E94.2Very high81.9Confident41 Ų4166.4 Ų66.419%0.19233%0.331CS..EExtended strand (participates in β ladder)trans-91.8133.2166.9-177.4164.8154.800109K33 Y35 A53 Y97 Q98 M100K33-E51 WeakPolarHBondContact CE-OE1 3.48Å; K33-E51 IonicContact NZ-OE1 3.9Å; K33-E51 PolarHBondContact NZ-OE1 2.75Å; K33-E51 IonicContact NZ-OE2 2.73Å; K33-E51 PolarHBondContact NZ-OE2 3.03Å; Y35-E51 HydrophobicContact CD1-CB 3.91Å; Y35-E51 HydrophobicContact CD1-CG 4.25Å; Y35-E51 HydrophobicContact CE1-CB 3.63Å; Y35-E51 HydrophobicContact CE1-CG 3.7Å; Y35-E51 VanDerWaalsContact CE1-OE2 3.24Å; Y35-E51 WeakPolarHBondContact CE1-OE2 3.38Å; Y35-E51 PolarHBondContact OH-OE2 3.09Å; E51-A53 PolarHBondContact O-N 3.31Å; E51-Y97 CarbonylContact O-C 3.5Å; E51-Y97 WeakPolarHBondContact O-CA 3.26Å; E51-Q98 PolarHBondContact N-O 2.95Å; E51-Q98 PolarHBondContact O-N 3.45Å; E51-M100 HydrophobicContact CB-CG 4.27Å; E51-M100 HydrophobicContact CB-SD 3.63Å
52V92.4Very high79.8Confident7 Ų767.6 Ų67.64%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-77.2122.2173.7174.60000108.3I34 I36 E54 V55 A94I34-V52 HydrophobicContact CB-CB 3.86Å; I34-V52 HydrophobicContact CB-CG1 4.49Å; I34-V52 HydrophobicContact CB-CG2 3.68Å; I34-V52 HydrophobicContact CG2-CB 4.33Å; I34-V52 HydrophobicContact CG2-CG2 3.57Å; I34-V52 WeakPolarHBondContact O-CB 3.33Å; I34-V52 WeakPolarHBondContact O-CG2 3.24Å; I34-V52 PolarHBondContact O-N 3.48Å; I36-V52 HydrophobicContact CD1-CG2 3.68Å; I36-V52 HydrophobicContact CG1-CG2 3.89Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 WeakPolarHBondContact CG1-O 3.42Å; V52-E54 PolarHBondContact O-N 3.22Å; V52-V55 HydrophobicContact CG1-CG2 3.97Å; V52-A94 HydrophobicContact CB-CB 4.3Å; V52-A94 HydrophobicContact CG1-CB 3.54Å; V52-A94 HydrophobicContact CG2-CB 3.72Å
53A84.6Confident78.2Confident46 Ų4664.5 Ų64.538%0.3833%0.326SS..SBendtrans-74.2-25.9-174.600000112.9E51 R96 T108E51-A53 PolarHBondContact O-N 3.31Å; A53-R96 HydrophobicContact CB-CB 4.29Å; A53-R96 PolarHBondContact N-O 3.03Å; A53-T108 HydrophobicContact CB-CG2 3.34Å
54E80.9Confident77.5Confident74 Ų7459.3 Ų59.335%0.34631%0.305SS..  trans-149.4128.1-179.6-175.4176.4-164.800109.9V52 L56 R96V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 WeakPolarHBondContact CG1-O 3.42Å; V52-E54 PolarHBondContact O-N 3.22Å; E54-L56 HydrophobicContact CG-CD2 4.05Å; E54-L56 HydrophobicContact CG-CG 4.16Å; E54-L56 WeakPolarHBondContact OE1-CD2 3.29Å; E54-R96 IonicContact OE2-CZ 2.96Å; E54-R96 IonicContact OE2-NE 3.68Å; E54-R96 IonicContact OE2-NH2 2.71Å; E54-R96 PolarHBondContact OE2-NH2 3.35Å
55V82Confident76.9Confident23 Ų2357 Ų5714%0.13930%0.297CS..  trans-109.7115.7174.8-175.60000108F32 I34 V52 P57 L92 H93F32-V55 HydrophobicContact CB-CB 3.99Å; F32-V55 HydrophobicContact CB-CG1 3.77Å; F32-V55 HydrophobicContact CB-CG2 4.26Å; F32-V55 HydrophobicContact CG-CG1 4.35Å; I34-V55 HydrophobicContact CB-CG2 4.18Å; I34-V55 HydrophobicContact CD1-CB 4.41Å; I34-V55 HydrophobicContact CD1-CG1 3.72Å; I34-V55 HydrophobicContact CD1-CG2 3.77Å; I34-V55 HydrophobicContact CG1-CG1 4.43Å; I34-V55 HydrophobicContact CG1-CG2 3.81Å; V52-V55 HydrophobicContact CG1-CG2 3.97Å; V55-P57 VanDerWaalsContact O-CD 3.25Å; V55-P57 WeakPolarHBondContact O-CD 3.32Å; V55-L92 HydrophobicContact CG1-CB 3.92Å; V55-L92 HydrophobicContact CG1-CD2 3.93Å; V55-L92 HydrophobicContact CG1-CG 4.44Å; V55-H93 WeakPolarHBondContact CA-O 3.45Å
56L79Confident76.1Confident74 Ų7455.3 Ų55.339%0.38729%0.292SS..EExtended strand (participates in β ladder)trans-101104.5178-63.3172.9000109.4E54 H93E54-L56 HydrophobicContact CG-CD2 4.05Å; E54-L56 HydrophobicContact CG-CG 4.16Å; E54-L56 WeakPolarHBondContact OE1-CD2 3.29Å; L56-H93 HydrophobicContact CB-CB 4.21Å; L56-H93 PolarHBondContact N-O 2.88Å; L56-H93 PolarHBondContact O-N 3.4Å
57P77.9Confident75.4Confident49 Ų4951 Ų5132%0.31827%0.273SS..EExtended strand (participates in β ladder)trans-75.7122.2173.129.8-32.3000110.4A27 F32 V55 V90 Q91 L92A27-P57 HydrophobicContact CB-CB 3.85Å; F32-P57 HydrophobicContact CE2-CB 4.2Å; F32-P57 HydrophobicContact CE2-CG 4.39Å; V55-P57 VanDerWaalsContact O-CD 3.25Å; V55-P57 WeakPolarHBondContact O-CD 3.32Å; P57-V90 HydrophobicContact CB-CG2 3.96Å; P57-Q91 CarbonylContact C-O 3.55Å; P57-Q91 WeakPolarHBondContact CA-O 3.25Å; P57-L92 HydrophobicContact CB-CD2 3.91Å
58V71Confident74.5Confident48 Ų4852.7 Ų52.729%0.29128%0.28SS..EExtended strand (participates in β ladder)trans-121.1129177.9-179.40000109.1T60 Q91V58-T60 WeakPolarHBondContact CG1-OG1 3.4Å; V58-Q91 HydrophobicContact CB-CB 4.38Å; V58-Q91 PolarHBondContact N-O 2.89Å; V58-Q91 WeakPolarHBondContact O-CB 3.33Å; V58-Q91 PolarHBondContact O-N 2.89Å
59M64.4Low73.6Confident69 Ų6955.6 Ų55.634%0.3429%0.286SS..  trans-94.6-1.4-172.4-76.6-70-61.400114.3S25 A27 V90S25-M59 VanDerWaalsContact OG-CG 3.24Å; S25-M59 WeakPolarHBondContact OG-CG 3.22Å; S25-M59 PolarHBondContact OG-SD 2.86Å; A27-M59 HydrophobicContact CB-SD 4.45Å; M59-V90 HydrophobicContact SD-CB 4.48Å
60T55.3Low72.5Confident54 Ų5455.7 Ų55.733%0.33129%0.289SS..  trans-94.4135.6-173.652.50000111.2V58 N62 Q91V58-T60 WeakPolarHBondContact CG1-OG1 3.4Å; T60-N62 VanDerWaalsContact CB-CG 3.45Å; T60-N62 WeakPolarHBondContact CB-OD1 3.43Å; T60-N62 PolarHBondContact O-N 3.16Å; T60-N62 WeakPolarHBondContact OG1-CB 3.42Å; T60-N62 PolarHBondContact OG1-ND2 2.88Å; T60-Q91 PolarHBondContact O-NE2 3.47Å; T60-Q91 VanDerWaalsContact O-NE2 3.09Å; T60-Q91 PolarHBondContact O-OE1 3.44Å
61N53.6Low71.5Confident54 Ų5456.3 Ų56.329%0.28929%0.294SS..  trans-68.839.6156.7-79.5-16.8000111.5Y63 E64 L85N61-Y63 PolarHBondContact O-N 2.76Å; N61-E64 WeakPolarHBondContact O-CB 3.3Å; N61-E64 PolarHBondContact O-N 2.82Å; N61-L85 HydrophobicContact CB-CD2 4.39Å; N61-L85 PolarHBondContact ND2-O 2.85Å
62N49.5Very low70.7Confident125 Ų12562 Ų6267%0.66831%0.314SS*.THydrogen-bonded Turntrans-62.6-4.9173.6-830.7000112.8T60T60-N62 VanDerWaalsContact CB-CG 3.45Å; T60-N62 WeakPolarHBondContact CB-OD1 3.43Å; T60-N62 PolarHBondContact O-N 3.16Å; T60-N62 WeakPolarHBondContact OG1-CB 3.42Å; T60-N62 PolarHBondContact OG1-ND2 2.88Å
63Y56.4Low69.7Low54 Ų5463.5 Ų63.521%0.21232%0.321CS..THydrogen-bonded Turntrans-104.810.7174.5-70.9-91.6000112.1N61 E65 N66 I67 H93 F182 Y206N61-Y63 PolarHBondContact O-N 2.76Å; Y63-E65 PolarHBondContact O-N 3.09Å; Y63-N66 HydrophobicContact CD1-CB 3.91Å; Y63-N66 WeakPolarHBondContact CD1-ND2 3.29Å; Y63-N66 CarbonylContact O-C 3.56Å; Y63-N66 WeakPolarHBondContact O-CA 3.45Å; Y63-N66 WeakPolarHBondContact O-CB 3.45Å; Y63-N66 PolarHBondContact O-N 3.21Å; Y63-I67 VanDerWaalsContact O-CG1 3.3Å; Y63-I67 WeakPolarHBondContact O-CG1 3.47Å; Y63-I67 PolarHBondContact O-N 3.38Å; Y63-H93 AromaticContact CE2-CE1 3.69Å; Y63-H93 AromaticContact CE2-NE2 3.74Å; Y63-H93 AromaticContact CZ-CE1 3.64Å; Y63-H93 PolarHBondContact OH-CE1 2.7Å; Y63-H93 VanDerWaalsContact OH-CE1 3.22Å; Y63-F182 HydrophobicContact CD1-CZ 4.26Å; Y63-F182 AromaticContact CE1-CE1 3.69Å; Y63-F182 HydrophobicContact CE1-CE1 3.69Å; Y63-F182 AromaticContact CE1-CZ 3.53Å; Y63-F182 HydrophobicContact CE1-CZ 3.53Å; Y63-Y206 WeakPolarHBondContact CB-OH 3.47Å
64E66.4Low68.9Low99 Ų9966.5 Ų66.546%0.46334%0.34SS..Hα-helixtrans-50.5-43.2171.9177.7173.4-171.400110.9N61 N66 I67 L68 L85N61-E64 WeakPolarHBondContact O-CB 3.3Å; N61-E64 PolarHBondContact O-N 2.82Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 3.41Å; E64-I67 PolarHBondContact O-N 3.39Å; E64-L68 HydrophobicContact CG-CD1 3.81Å; E64-L68 HydrophobicContact CG-CG 4.29Å; E64-L68 WeakPolarHBondContact O-CB 3.33Å; E64-L68 VanDerWaalsContact O-CG 3.25Å; E64-L68 WeakPolarHBondContact O-CG 3.43Å; E64-L68 PolarHBondContact O-N 3.3Å; E64-L85 HydrophobicContact CB-CD2 3.82Å; E64-L85 HydrophobicContact CG-CD1 4.06Å; E64-L85 HydrophobicContact CG-CD2 3.77Å
65E68.6Low68.3Low143 Ų14365 Ų6567%0.66834%0.337SS*.Hα-helixtrans-61.1-39.6174.5-170.3-180-18000112.6Y63 R69Y63-E65 PolarHBondContact O-N 3.09Å; E65-R69 WeakPolarHBondContact O-CB 3.29Å; E65-R69 PolarHBondContact O-N 3.46Å
66N67.9Low67.7Low45 Ų4565.3 Ų65.324%0.24134%0.336CS..Hα-helixtrans-72.5-35.4177.8-70.8-48.9000112.3Y63 E64 R69 G70 Y76Y63-N66 HydrophobicContact CD1-CB 3.91Å; Y63-N66 WeakPolarHBondContact CD1-ND2 3.29Å; Y63-N66 CarbonylContact O-C 3.56Å; Y63-N66 WeakPolarHBondContact O-CA 3.45Å; Y63-N66 WeakPolarHBondContact O-CB 3.45Å; Y63-N66 PolarHBondContact O-N 3.21Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 3.41Å; N66-R69 PolarHBondContact O-N 3.06Å; N66-G70 PolarHBondContact O-N 3.18Å; N66-G70 VanDerWaalsContact O-N 3.09Å; N66-Y76 PolarHBondContact O-OH 2.76Å
67I69.1Low67.5Low1 Ų164.8 Ų64.81%0.00534%0.339CS..Hα-helixtrans-65.5-48.9174-67.2167000109.3Y63 E64 R69 G70 V71 Y76 L85 Y206Y63-I67 VanDerWaalsContact O-CG1 3.3Å; Y63-I67 WeakPolarHBondContact O-CG1 3.47Å; Y63-I67 PolarHBondContact O-N 3.38Å; E64-I67 PolarHBondContact O-N 3.39Å; I67-R69 VanDerWaalsContact C-N 3.29Å; I67-R69 PolarHBondContact O-N 2.76Å; I67-G70 PolarHBondContact O-N 2.88Å; I67-V71 PolarHBondContact O-N 3.24Å; I67-Y76 VanDerWaalsContact C-OH 3.29Å; I67-Y76 WeakPolarHBondContact CA-OH 3.37Å; I67-Y76 HydrophobicContact CG2-CE2 4.33Å; I67-Y76 WeakPolarHBondContact O-CE2 3.5Å; I67-Y76 VanDerWaalsContact O-CZ 3.23Å; I67-Y76 PolarHBondContact O-OH 2.91Å; I67-L85 HydrophobicContact CD1-CD2 3.91Å; I67-Y206 HydrophobicContact CD1-CE2 3.99Å
68L73.8Confident67.5Low53 Ų5367.1 Ų67.128%0.27735%0.348SS..Hα-helixtrans-69.3-29.1177.3-65.3175000112E64 V71 R72 L85E64-L68 HydrophobicContact CG-CD1 3.81Å; E64-L68 HydrophobicContact CG-CG 4.29Å; E64-L68 WeakPolarHBondContact O-CB 3.33Å; E64-L68 VanDerWaalsContact O-CG 3.25Å; E64-L68 WeakPolarHBondContact O-CG 3.43Å; E64-L68 PolarHBondContact O-N 3.3Å; L68-V71 WeakPolarHBondContact O-CB 3.41Å; L68-V71 PolarHBondContact O-N 3.44Å; L68-R72 PolarHBondContact O-N 3.17Å; L68-R72 VanDerWaalsContact O-N 3.14Å; L68-L85 HydrophobicContact CD2-CD1 4.4Å
69R72.9Confident67.8Low82 Ų8271.6 Ų71.631%0.30937%0.366SS..Hα-helixtrans-62.9-42.1172.1-174.6177.5-177.4177.54.8111.4E65 N66 I67 V71 R72 D73 D166E65-R69 WeakPolarHBondContact O-CB 3.29Å; E65-R69 PolarHBondContact O-N 3.46Å; N66-R69 PolarHBondContact O-N 3.06Å; I67-R69 VanDerWaalsContact C-N 3.29Å; I67-R69 PolarHBondContact O-N 2.76Å; R69-V71 VanDerWaalsContact C-N 3.25Å; R69-V71 PolarHBondContact O-N 3.38Å; R69-R72 WeakPolarHBondContact O-CB 3.48Å; R69-R72 PolarHBondContact O-N 3.42Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R69-D73 IonicContact NE-OD2 2.6Å; R69-D73 VanDerWaalsContact O-CB 3.28Å; R69-D73 WeakPolarHBondContact O-CB 3.43Å; R69-D73 PolarHBondContact O-N 2.87Å; R69-D166 IonicContact CZ-OD2 2.75Å; R69-D166 IonicContact NH2-OD2 3.57Å; R69-D166 PolarHBondContact NH2-OD2 2.91Å
70G70.1Confident68.1Low6 Ų669.6 Ų69.66%0.06236%0.359CS..Hα-helixtrans-63.3-30.4176.800000113.5N66 I67 D73 S74 S75 Y76N66-G70 PolarHBondContact O-N 3.18Å; N66-G70 VanDerWaalsContact O-N 3.09Å; I67-G70 PolarHBondContact O-N 2.88Å; G70-D73 CarbonylContact O-C 3.53Å; G70-D73 PolarHBondContact O-N 2.93Å; G70-S74 PolarHBondContact O-N 3.13Å; G70-S75 WeakPolarHBondContact O-CB 3.32Å; G70-S75 PolarHBondContact O-N 3.17Å; G70-Y76 VanDerWaalsContact CA-CZ 3.48Å; G70-Y76 WeakPolarHBondContact CA-OH 3.33Å
71V72.5Confident68.8Low35 Ų3567 Ų6721%0.21234%0.343CS..Hα-helixtrans-65.9-48.9170.4-178.40000111.2I67 L68 R69 D73 S74 Y76 L78 S81I67-V71 PolarHBondContact O-N 3.24Å; L68-V71 WeakPolarHBondContact O-CB 3.41Å; L68-V71 PolarHBondContact O-N 3.44Å; R69-V71 VanDerWaalsContact C-N 3.25Å; R69-V71 PolarHBondContact O-N 3.38Å; V71-D73 PolarHBondContact O-N 2.78Å; V71-S74 PolarHBondContact O-N 3.14Å; V71-Y76 HydrophobicContact CG2-CD2 3.87Å; V71-Y76 HydrophobicContact CG2-CE2 3.72Å; V71-L78 HydrophobicContact CG1-CB 4.01Å; V71-L78 HydrophobicContact CG1-CD1 4.22Å; V71-S81 WeakPolarHBondContact CG2-OG 3.28Å
72R75.6Confident69.8Low161 Ų16168 Ų6861%0.60835%0.347SS*.Hα-helixtrans-57.5-35.9175.8-68.7-172.4-67.8-111.32.5111.9L68 R69 S74L68-R72 PolarHBondContact O-N 3.17Å; L68-R72 VanDerWaalsContact O-N 3.14Å; R69-R72 WeakPolarHBondContact O-CB 3.48Å; R69-R72 PolarHBondContact O-N 3.42Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R72-S74 PolarHBondContact O-N 3.45Å
73D72.9Confident70.9Confident38 Ų3866.8 Ų66.820%0.20334%0.338CS..THydrogen-bonded Turntrans-83.67.4-178.9-71-14.4000113.6R69 G70 V71 S75 R164R69-D73 IonicContact NE-OD2 2.6Å; R69-D73 VanDerWaalsContact O-CB 3.28Å; R69-D73 WeakPolarHBondContact O-CB 3.43Å; R69-D73 PolarHBondContact O-N 2.87Å; G70-D73 CarbonylContact O-C 3.53Å; G70-D73 PolarHBondContact O-N 2.93Å; V71-D73 PolarHBondContact O-N 2.78Å; D73-S75 PolarHBondContact O-N 3.39Å; D73-S75 VanDerWaalsContact O-N 3.11Å; D73-R164 IonicContact OD1-CZ 3.28Å; D73-R164 IonicContact OD1-NH1 3.91Å; D73-R164 IonicContact OD1-NH2 2.66Å; D73-R164 PolarHBondContact OD1-NH2 3.26Å; D73-R164 IonicContact OD2-CZ 2.76Å; D73-R164 IonicContact OD2-NH1 2.83Å; D73-R164 PolarHBondContact OD2-NH1 3.26Å; D73-R164 IonicContact OD2-NH2 3.02Å; D73-R164 PolarHBondContact OD2-NH2 3.05Å
74S67.8Low71.5Confident110 Ų11065.1 Ų65.177%0.76933%0.332SS*.THydrogen-bonded Turntrans53.727.8-178.4-54.10000114.2G70 V71 R72G70-S74 PolarHBondContact O-N 3.13Å; V71-S74 PolarHBondContact O-N 3.14Å; R72-S74 PolarHBondContact O-N 3.45Å
75S66.5Low71.7Confident42 Ų4262.1 Ų62.129%0.29432%0.319SS..SBendtrans-79.4-24.1178-57.20000111.7G70 D73G70-S75 WeakPolarHBondContact O-CB 3.32Å; G70-S75 PolarHBondContact O-N 3.17Å; D73-S75 PolarHBondContact O-N 3.39Å; D73-S75 VanDerWaalsContact O-N 3.11Å
76Y70.5Confident71.7Confident30 Ų3061.8 Ų61.812%0.11832%0.318CS..SBendtrans-164.8171.6176.644.2-89.5000111.5N66 I67 G70 V71 N173 Q177N66-Y76 PolarHBondContact O-OH 2.76Å; I67-Y76 VanDerWaalsContact C-OH 3.29Å; I67-Y76 WeakPolarHBondContact CA-OH 3.37Å; I67-Y76 HydrophobicContact CG2-CE2 4.33Å; I67-Y76 WeakPolarHBondContact O-CE2 3.5Å; I67-Y76 VanDerWaalsContact O-CZ 3.23Å; I67-Y76 PolarHBondContact O-OH 2.91Å; G70-Y76 VanDerWaalsContact CA-CZ 3.48Å; G70-Y76 WeakPolarHBondContact CA-OH 3.33Å; V71-Y76 HydrophobicContact CG2-CD2 3.87Å; V71-Y76 HydrophobicContact CG2-CE2 3.72Å; Y76-N173 WeakPolarHBondContact CD1-ND2 3.45Å; Y76-N173 VanDerWaalsContact CE1-CG 3.48Å; Y76-N173 VanDerWaalsContact CE1-ND2 3.34Å; Y76-N173 WeakPolarHBondContact CE1-ND2 3.11Å; Y76-N173 WeakPolarHBondContact CE1-OD1 3.26Å; Y76-Q177 VanDerWaalsContact CG-NE2 3.32Å
77S75.4Confident71.9Confident63 Ų6364.4 Ų64.444%0.44133%0.327SS..  trans-79.1153.5-176.2720000113E79 S80 S81S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 2.71Å; S77-S80 PolarHBondContact O-N 2.82Å; S77-S80 PolarHBondContact O-OG 2.86Å; S77-S80 PolarHBondContact OG-N 2.89Å; S77-S80 PolarHBondContact OG-OG 2.85Å; S77-S81 PolarHBondContact O-N 2.92Å
78L78.3Confident72.1Confident97 Ų9767 Ų6751%0.50834%0.341SS..Hα-helixtrans-59.1-38172.4-177.764.1000111.9V71 S80 S81 I82V71-L78 HydrophobicContact CG1-CB 4.01Å; V71-L78 HydrophobicContact CG1-CD1 4.22Å; L78-S80 PolarHBondContact O-N 2.92Å; L78-S81 WeakPolarHBondContact CA-OG 3.48Å; L78-S81 PolarHBondContact O-N 3.49Å; L78-S81 PolarHBondContact O-OG 2.96Å; L78-I82 HydrophobicContact CD1-CD1 4.35Å; L78-I82 HydrophobicContact CD1-CG1 4.5Å; L78-I82 HydrophobicContact CG-CD1 3.97Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 3.13Å
79E76.1Confident72.3Confident143 Ų14364.8 Ų64.867%0.66833%0.33SS*.Hα-helixtrans-59.5-48.2179-170.6171.9-161.600111.9S77 S81 I82 E83S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 2.71Å; E79-S81 VanDerWaalsContact C-N 3.29Å; E79-S81 PolarHBondContact O-N 3.34Å; E79-I82 PolarHBondContact O-N 3.26Å; E79-E83 PolarHBondContact O-N 3.47Å
80S70.9Confident72.9Confident27 Ų2760.9 Ų60.919%0.18932%0.315CS..Hα-helixtrans-60.3-38.5176.467.30000112.7S77 L78 I82 E83 L84 Q177S77-S80 PolarHBondContact O-N 2.82Å; S77-S80 PolarHBondContact O-OG 2.86Å; S77-S80 PolarHBondContact OG-N 2.89Å; S77-S80 PolarHBondContact OG-OG 2.85Å; L78-S80 PolarHBondContact O-N 2.92Å; S80-I82 PolarHBondContact O-N 2.82Å; S80-E83 PolarHBondContact O-N 2.82Å; S80-L84 PolarHBondContact O-N 2.89Å; S80-L84 VanDerWaalsContact O-N 3.11Å; S80-Q177 PolarHBondContact O-OE1 3.39Å
81S70.8Confident73.6Confident0 Ų060.7 Ų60.70%031%0.312CS..Hα-helixtrans-66-38.3177.6730000112.8V71 S77 L78 E79 L84 L85V71-S81 WeakPolarHBondContact CG2-OG 3.28Å; S77-S81 PolarHBondContact O-N 2.92Å; L78-S81 WeakPolarHBondContact CA-OG 3.48Å; L78-S81 PolarHBondContact O-N 3.49Å; L78-S81 PolarHBondContact O-OG 2.96Å; E79-S81 VanDerWaalsContact C-N 3.29Å; E79-S81 PolarHBondContact O-N 3.34Å; S81-L84 PolarHBondContact O-N 2.99Å; S81-L85 VanDerWaalsContact O-CG 3.26Å; S81-L85 WeakPolarHBondContact O-CG 3.32Å; S81-L85 PolarHBondContact O-N 2.81Å
82I73.5Confident74.5Confident73 Ų7359 Ų5937%0.37430%0.302SS..Hα-helixtrans-68-42.5177.5-68.8168.5000110L78 E79 S80 L84 L85 Q86L78-I82 HydrophobicContact CD1-CD1 4.35Å; L78-I82 HydrophobicContact CD1-CG1 4.5Å; L78-I82 HydrophobicContact CG-CD1 3.97Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 3.13Å; E79-I82 PolarHBondContact O-N 3.26Å; S80-I82 PolarHBondContact O-N 2.82Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 PolarHBondContact O-N 3.05Å; I82-L85 PolarHBondContact O-N 2.99Å; I82-Q86 HydrophobicContact CG2-CG 4.29Å; I82-Q86 WeakPolarHBondContact O-CB 3.29Å; I82-Q86 VanDerWaalsContact O-CG 3.26Å; I82-Q86 WeakPolarHBondContact O-CG 3.15Å; I82-Q86 PolarHBondContact O-N 2.74Å
83E72.6Confident75Confident100 Ų10052.5 Ų52.547%0.46728%0.279SS..Hα-helixtrans-59.6-40.3176.1-72.7-171.2-176.300112.7E79 S80 Q86 K87E79-E83 PolarHBondContact O-N 3.47Å; S80-E83 PolarHBondContact O-N 2.82Å; E83-Q86 PolarHBondContact O-N 3.33Å; E83-K87 WeakPolarHBondContact O-CG 3.22Å; E83-K87 PolarHBondContact O-N 3.48Å
84L68.8Low75.8Confident20 Ų2050.7 Ų50.711%0.10527%0.269CS..Hα-helixtrans-63.7-46.5174.3-78.1179.6000112.3S80 S81 I82 Q86 K87 Q177S80-L84 PolarHBondContact O-N 2.89Å; S80-L84 VanDerWaalsContact O-N 3.11Å; S81-L84 PolarHBondContact O-N 2.99Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 PolarHBondContact O-N 3.05Å; L84-Q86 PolarHBondContact O-N 3.25Å; L84-K87 PolarHBondContact O-N 2.84Å; L84-Q177 HydrophobicContact CD1-CB 3.55Å; L84-Q177 HydrophobicContact CD1-CG 4.01Å; L84-Q177 HydrophobicContact CD2-CB 4.34Å; L84-Q177 HydrophobicContact CG-CB 4.35Å
85L70.3Confident76.4Confident35 Ų3547.4 Ų47.418%0.18325%0.245CC..Hα-helixtrans-65.6-27.3-178.7-70170.6000112.2N61 E64 I67 L68 S81 I82N61-L85 HydrophobicContact CB-CD2 4.39Å; N61-L85 PolarHBondContact ND2-O 2.85Å; E64-L85 HydrophobicContact CB-CD2 3.82Å; E64-L85 HydrophobicContact CG-CD1 4.06Å; E64-L85 HydrophobicContact CG-CD2 3.77Å; I67-L85 HydrophobicContact CD1-CD2 3.91Å; L68-L85 HydrophobicContact CD2-CD1 4.4Å; S81-L85 VanDerWaalsContact O-CG 3.26Å; S81-L85 WeakPolarHBondContact O-CG 3.32Å; S81-L85 PolarHBondContact O-N 2.81Å; I82-L85 PolarHBondContact O-N 2.99Å
86Q70.1Confident77.3Confident136 Ų13650.4 Ų50.464%0.63625%0.25SC*.Hα-helixtrans-78.7-25176.4-73.7177-2.100113.6I82 E83 L84I82-Q86 HydrophobicContact CG2-CG 4.29Å; I82-Q86 WeakPolarHBondContact O-CB 3.29Å; I82-Q86 VanDerWaalsContact O-CG 3.26Å; I82-Q86 WeakPolarHBondContact O-CG 3.15Å; I82-Q86 PolarHBondContact O-N 2.74Å; E83-Q86 PolarHBondContact O-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.25Å
87K71Confident78.3Confident100 Ų10049.8 Ų49.844%0.43525%0.247SC..SBendtrans-79.7140.5178.7-74.7170.8-175.5165.80110.6E83 L84 V89E83-K87 WeakPolarHBondContact O-CG 3.22Å; E83-K87 PolarHBondContact O-N 3.48Å; L84-K87 PolarHBondContact O-N 2.84Å; K87-V89 HydrophobicContact CB-CG2 3.76Å; K87-V89 PolarHBondContact O-N 2.82Å
88D73.8Confident79Confident56 Ų5649.5 Ų49.530%0.29924%0.239SC..  trans-77.492.6169.6-64.6-30.9000108.1K22 Q209K22-D88 VanDerWaalsContact CE-OD1 3.25Å; K22-D88 WeakPolarHBondContact CE-OD1 3.25Å; K22-D88 WeakPolarHBondContact CE-OD2 3.46Å; K22-D88 IonicContact NZ-OD1 2.86Å; K22-D88 PolarHBondContact NZ-OD1 3.14Å; K22-D88 IonicContact NZ-OD2 3.9Å; D88-Q209 WeakPolarHBondContact O-CB 3.45Å; D88-Q209 WeakPolarHBondContact O-CG 3.34Å; D88-Q209 PolarHBondContact O-N 3.48Å
89V78.9Confident79.5Confident7 Ų746.1 Ų46.14%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-99.7139.6-174.6176.50000110.4K87 Y206 L207K87-V89 HydrophobicContact CB-CG2 3.76Å; K87-V89 PolarHBondContact O-N 2.82Å; V89-Y206 HydrophobicContact CG1-CD2 3.82Å; V89-Y206 HydrophobicContact CG1-CG 3.92Å; V89-L207 CarbonylContact C-O 3.6Å; V89-L207 WeakPolarHBondContact CA-O 3.39Å
90V84.4Confident80Confident0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-94.7135.7161.262.40000109.1A27 P57 M59 L92 L207 Q209 L212A27-V90 HydrophobicContact CB-CB 4.26Å; A27-V90 HydrophobicContact CB-CG2 3.57Å; P57-V90 HydrophobicContact CB-CG2 3.96Å; M59-V90 HydrophobicContact SD-CB 4.48Å; V90-L92 HydrophobicContact CG1-CG 4.49Å; V90-L92 HydrophobicContact CG2-CD2 3.92Å; V90-L92 HydrophobicContact CG2-CG 4.39Å; V90-L207 HydrophobicContact CG1-CB 3.88Å; V90-L207 HydrophobicContact CG1-CD2 4.27Å; V90-L207 HydrophobicContact CG1-CG 4.45Å; V90-L207 WeakPolarHBondContact CG1-O 3.44Å; V90-L207 PolarHBondContact N-O 3.22Å; V90-L207 PolarHBondContact O-N 3.5Å; V90-Q209 HydrophobicContact CB-CG 4.24Å; V90-L212 HydrophobicContact CG1-CD1 4.03Å; V90-L212 HydrophobicContact CG1-CD2 4.18Å; V90-L212 HydrophobicContact CG1-CG 4.26Å
91Q85.5Confident80.5Confident1 Ų146.5 Ų46.51%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-100.9122.7173.8-60.4178.7-2.700108.6P57 V58 T60 L205 Y206P57-Q91 CarbonylContact C-O 3.55Å; P57-Q91 WeakPolarHBondContact CA-O 3.25Å; V58-Q91 HydrophobicContact CB-CB 4.38Å; V58-Q91 PolarHBondContact N-O 2.89Å; V58-Q91 WeakPolarHBondContact O-CB 3.33Å; V58-Q91 PolarHBondContact O-N 2.89Å; T60-Q91 PolarHBondContact O-NE2 3.47Å; T60-Q91 VanDerWaalsContact O-NE2 3.09Å; T60-Q91 PolarHBondContact O-OE1 3.44Å; Q91-L205 CarbonylContact C-O 3.57Å; Q91-L205 WeakPolarHBondContact CA-O 3.39Å; Q91-Y206 HydrophobicContact CB-CD1 4.44Å; Q91-Y206 HydrophobicContact CB-CE1 4.22Å; Q91-Y206 HydrophobicContact CG-CD1 3.89Å; Q91-Y206 HydrophobicContact CG-CE1 3.53Å; Q91-Y206 HydrophobicContact CG-CE2 4.38Å; Q91-Y206 HydrophobicContact CG-CG 4.47Å; Q91-Y206 PolarHBondContact NE2-OH 3.42Å
92L89.9Confident80.6Confident0 Ų056.8 Ų56.80%026%0.257CS..EExtended strand (participates in β ladder)trans-109.4100.9-178.7-58.4170.4000108.9F32 I34 V55 P57 V90 L128 C204 L205F32-L92 HydrophobicContact CD1-CD1 4.38Å; F32-L92 HydrophobicContact CD1-CD2 4.32Å; F32-L92 HydrophobicContact CD2-CD2 4.01Å; F32-L92 HydrophobicContact CE1-CD2 4.34Å; F32-L92 HydrophobicContact CE2-CD2 4.04Å; F32-L92 HydrophobicContact CG-CD2 4.15Å; F32-L92 HydrophobicContact CZ-CD2 4.2Å; I34-L92 HydrophobicContact CD1-CB 4.04Å; V55-L92 HydrophobicContact CG1-CB 3.92Å; V55-L92 HydrophobicContact CG1-CD2 3.93Å; V55-L92 HydrophobicContact CG1-CG 4.44Å; P57-L92 HydrophobicContact CB-CD2 3.91Å; V90-L92 HydrophobicContact CG1-CG 4.49Å; V90-L92 HydrophobicContact CG2-CD2 3.92Å; V90-L92 HydrophobicContact CG2-CG 4.39Å; L92-L128 HydrophobicContact CD1-CD1 3.56Å; L92-L128 HydrophobicContact CD1-CD2 3.44Å; L92-L128 VanDerWaalsContact CD1-CD2 3.44Å; L92-L128 HydrophobicContact CD1-CG 4.16Å; L92-C204 WeakPolarHBondContact O-CA 3.11Å; L92-L205 HydrophobicContact CB-CB 4.23Å; L92-L205 PolarHBondContact N-O 2.73Å; L92-L205 PolarHBondContact O-N 3.01Å
93H87.3Confident80.6Confident25 Ų2558.6 Ų58.612%0.11627%0.267CS..EExtended strand (participates in β ladder)trans-84.1134.5-178.5-71.5-95.7000111.6V55 L56 Y63 C204V55-H93 WeakPolarHBondContact CA-O 3.45Å; L56-H93 HydrophobicContact CB-CB 4.21Å; L56-H93 PolarHBondContact N-O 2.88Å; L56-H93 PolarHBondContact O-N 3.4Å; Y63-H93 AromaticContact CE2-CE1 3.69Å; Y63-H93 AromaticContact CE2-NE2 3.74Å; Y63-H93 AromaticContact CZ-CE1 3.64Å; Y63-H93 PolarHBondContact OH-CE1 2.7Å; Y63-H93 VanDerWaalsContact OH-CE1 3.22Å; H93-C204 PolarHBondContact NE2-SG 3.34Å
94A88.6Confident80.5Confident0 Ų056.4 Ų56.40%026%0.261CS..EExtended strand (participates in β ladder)trans-123.584.2178.300000109.6V52 M111 L203V52-A94 HydrophobicContact CB-CB 4.3Å; V52-A94 HydrophobicContact CG1-CB 3.54Å; V52-A94 HydrophobicContact CG2-CB 3.72Å; A94-M111 HydrophobicContact CB-CE 4.49Å; A94-M111 VanDerWaalsContact O-CE 3.26Å; A94-M111 WeakPolarHBondContact O-CE 3.48Å; A94-L203 PolarHBondContact N-O 2.94Å; A94-L203 PolarHBondContact O-N 2.73Å
95P81.2Confident80.1Confident41 Ų4162.9 Ų62.927%0.26629%0.294SS..  trans-84.4-24.7-17832.1-34.2000113.3M111P95-M111 PolarHBondContact O-N 3.23Å
96R86.2Confident79.5Confident104 Ų10462.9 Ų62.939%0.39230%0.302SS..EExtended strand (participates in β ladder)trans-131.4144.3-173.9-62.9-173.9-65167-1.3110.7A53 E54 T108 Q109A53-R96 HydrophobicContact CB-CB 4.29Å; A53-R96 PolarHBondContact N-O 3.03Å; E54-R96 IonicContact OE2-CZ 2.96Å; E54-R96 IonicContact OE2-NE 3.68Å; E54-R96 IonicContact OE2-NH2 2.71Å; E54-R96 PolarHBondContact OE2-NH2 3.35Å; R96-T108 HydrophobicContact CB-CG2 3.94Å; R96-Q109 VanDerWaalsContact CA-O 3.28Å; R96-Q109 WeakPolarHBondContact CA-O 3.3Å; R96-Q109 WeakPolarHBondContact CB-O 3.35Å
97Y90.4Very high79.6Confident17 Ų1760.2 Ų60.27%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-141.3165.7-178.268.3-5.7000112F50 E51 Q109 E110 M111 D112F50-Y97 HydrophobicContact CB-CD2 3.75Å; F50-Y97 HydrophobicContact CB-CG 4.21Å; F50-Y97 HydrophobicContact CD1-CD1 4.46Å; F50-Y97 AromaticContact CD1-CD2 3.59Å; F50-Y97 HydrophobicContact CD1-CD2 3.59Å; F50-Y97 AromaticContact CD1-CE2 3.72Å; F50-Y97 HydrophobicContact CD1-CE2 3.72Å; F50-Y97 AromaticContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD2-CD2 4.25Å; F50-Y97 HydrophobicContact CD2-CE2 4.26Å; F50-Y97 HydrophobicContact CE1-CD2 4.24Å; F50-Y97 AromaticContact CE1-CE2 3.89Å; F50-Y97 HydrophobicContact CE1-CE2 3.89Å; F50-Y97 HydrophobicContact CE2-CE2 4.4Å; F50-Y97 AromaticContact CG-CD2 3.6Å; F50-Y97 HydrophobicContact CG-CD2 3.6Å; F50-Y97 AromaticContact CG-CE2 3.93Å; F50-Y97 HydrophobicContact CG-CE2 3.93Å; F50-Y97 HydrophobicContact CG-CG 4.28Å; F50-Y97 HydrophobicContact CZ-CE2 4.23Å; E51-Y97 CarbonylContact O-C 3.5Å; E51-Y97 WeakPolarHBondContact O-CA 3.26Å; Y97-Q109 PolarHBondContact N-O 3.13Å; Y97-Q109 PolarHBondContact O-N 3.19Å; Y97-E110 WeakPolarHBondContact CE1-O 3.42Å; Y97-M111 HydrophobicContact CD2-CE 4.13Å; Y97-M111 HydrophobicContact CD2-CG 3.99Å; Y97-M111 HydrophobicContact CE1-CB 4.43Å; Y97-M111 HydrophobicContact CE1-CG 4.46Å; Y97-M111 HydrophobicContact CE2-CG 3.71Å; Y97-M111 HydrophobicContact CG-CE 4.45Å; Y97-M111 HydrophobicContact CG-CG 4.48Å; Y97-D112 PolarHBondContact OH-N 2.92Å; Y97-D112 PolarHBondContact OH-O 2.77Å
98Q90.3Very high80.1Confident58 Ų5858.7 Ų58.727%0.27130%0.296SS..EExtended strand (participates in β ladder)trans-133.4133.8177.5-171.4-173.822.700108F50 E51 G106F50-Q98 CarbonylContact C-O 3.48Å; F50-Q98 WeakPolarHBondContact CA-O 3.39Å; E51-Q98 PolarHBondContact N-O 2.95Å; E51-Q98 PolarHBondContact O-N 3.45Å; Q98-G106 VanDerWaalsContact NE2-C 3.31Å; Q98-G106 VanDerWaalsContact NE2-CA 3.32Å; Q98-G106 PolarHBondContact NE2-O 2.88Å
99S88.1Confident80.6Confident26 Ų2661.4 Ų61.418%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-68.4135.6176.9-168.40000110.5R101S99-R101 PolarHBondContact O-N 3.43Å; S99-R101 PolarHBondContact OG-N 3.4Å
100M87.6Confident80.8Confident55 Ų5568.5 Ų68.527%0.27134%0.34SS..  trans-866.1175.6-65.1-62.7-72.800113Y35 L49 E51Y35-M100 HydrophobicContact CE1-CE 4.02Å; Y35-M100 HydrophobicContact CE1-SD 4.18Å; L49-M100 HydrophobicContact CB-CB 4.28Å; L49-M100 HydrophobicContact CD2-CB 4.18Å; L49-M100 HydrophobicContact CD2-CG 4.27Å; L49-M100 HydrophobicContact CG-CB 4.11Å; L49-M100 HydrophobicContact CG-CG 4.02Å; L49-M100 WeakPolarHBondContact O-CB 3.38Å; L49-M100 PolarHBondContact O-N 2.75Å; E51-M100 HydrophobicContact CB-CG 4.27Å; E51-M100 HydrophobicContact CB-SD 3.63Å
101R81Confident80.8Confident122 Ų12268.7 Ų68.746%0.4634%0.341SS..  trans-71.8129.2176.9-83.2-177.467.9167.45.3110.7S99 D103 V104 P229S99-R101 PolarHBondContact O-N 3.43Å; S99-R101 PolarHBondContact OG-N 3.4Å; R101-D103 WeakPolarHBondContact CB-OD1 3.36Å; R101-D103 IonicContact CZ-OD1 2.71Å; R101-D103 IonicContact CZ-OD2 2.7Å; R101-D103 IonicContact NE-OD1 3.26Å; R101-D103 PolarHBondContact NE-OD1 2.91Å; R101-D103 IonicContact NE-OD2 3.96Å; R101-D103 IonicContact NH2-OD1 3.6Å; R101-D103 PolarHBondContact NH2-OD1 3.43Å; R101-D103 IonicContact NH2-OD2 3.91Å; R101-D103 PolarHBondContact NH2-OD2 2.89Å; R101-D103 PolarHBondContact O-N 3.45Å; R101-V104 HydrophobicContact CB-CB 4.14Å; R101-V104 HydrophobicContact CB-CG2 3.84Å; R101-V104 PolarHBondContact O-N 3.12Å; R101-V104 VanDerWaalsContact O-N 3.15Å; R101-P229 HydrophobicContact CG-CG 4.44Å
102R73.4Confident80.8Confident217 Ų21772.7 Ų72.782%0.81936%0.362SS*.THydrogen-bonded Turntrans-62.7-28.3179.4-65.7-178.3-179.61641.4113.6
103D72.6Confident80.7Confident110 Ų11073.6 Ų73.659%0.58837%0.366SS*.THydrogen-bonded Turntrans-86.8-4.8-179.465.2-46.2000113.7R101R101-D103 WeakPolarHBondContact CB-OD1 3.36Å; R101-D103 IonicContact CZ-OD1 2.71Å; R101-D103 IonicContact CZ-OD2 2.7Å; R101-D103 IonicContact NE-OD1 3.26Å; R101-D103 PolarHBondContact NE-OD1 2.91Å; R101-D103 IonicContact NE-OD2 3.96Å; R101-D103 IonicContact NH2-OD1 3.6Å; R101-D103 PolarHBondContact NH2-OD1 3.43Å; R101-D103 IonicContact NH2-OD2 3.91Å; R101-D103 PolarHBondContact NH2-OD2 2.89Å; R101-D103 PolarHBondContact O-N 3.45Å
104V71.3Confident80.8Confident55 Ų5575.3 Ų75.333%0.33338%0.376SS..SBendtrans-105.7108.8173.9-178.50000107.7R101 G106R101-V104 HydrophobicContact CB-CB 4.14Å; R101-V104 HydrophobicContact CB-CG2 3.84Å; R101-V104 PolarHBondContact O-N 3.12Å; R101-V104 VanDerWaalsContact O-N 3.15Å; V104-G106 PolarHBondContact O-N 2.88Å; V104-G106 VanDerWaalsContact O-N 3.09Å
105I60.2Low81Confident156 Ų15675.3 Ų75.380%0.838%0.376SS*.  trans-62.9117.5176.2-62.4174.1000107.8C107I105-C107 PolarHBondContact O-N 3.06Å
106G57.8Low81.4Confident34 Ų3475.4 Ų75.435%0.35137%0.371SS..  trans-69.979.5-163.200000114.3Q98 V104Q98-G106 VanDerWaalsContact NE2-C 3.31Å; Q98-G106 VanDerWaalsContact NE2-CA 3.32Å; Q98-G106 PolarHBondContact NE2-O 2.88Å; V104-G106 PolarHBondContact O-N 2.88Å; V104-G106 VanDerWaalsContact O-N 3.09Å
107C71.1Confident81.5Confident81 Ų8173.8 Ų73.855%0.54737%0.374SS..  trans-85.1122.4161.6-64.60000109.1I105 Q109I105-C107 PolarHBondContact O-N 3.06Å; C107-Q109 PolarHBondContact O-N 2.87Å; C107-Q109 PolarHBondContact O-NE2 3.1Å
108T82.3Confident81.4Confident67 Ų6776.7 Ų76.741%0.41138%0.384SS..  trans-56127.9166-62.10000109.3A53 R96A53-T108 HydrophobicContact CB-CG2 3.34Å; R96-T108 HydrophobicContact CB-CG2 3.94Å
109Q84.3Confident81.4Confident114 Ų11479.2 Ų79.253%0.53340%0.4SS..EExtended strand (participates in β ladder)trans-130.2158.3-178.5-74.3167.771.200110.4R96 Y97 C107R96-Q109 VanDerWaalsContact CA-O 3.28Å; R96-Q109 WeakPolarHBondContact CA-O 3.3Å; R96-Q109 WeakPolarHBondContact CB-O 3.35Å; Y97-Q109 PolarHBondContact N-O 3.13Å; Y97-Q109 PolarHBondContact O-N 3.19Å; C107-Q109 PolarHBondContact O-N 2.87Å; C107-Q109 PolarHBondContact O-NE2 3.1Å
110E83.5Confident81.6Confident156 Ų15679.7 Ų79.773%0.72940%0.4SS*.EExtended strand (participates in β ladder)trans-59.7146.4164.2-66-173.7167.300109.6Y97 D112Y97-E110 WeakPolarHBondContact CE1-O 3.42Å; E110-D112 PolarHBondContact O-N 2.85Å
111M83.8Confident81.9Confident4 Ų477 Ų772%0.0239%0.387CS..  trans-63.7122.6177.8-162.9172.8-68.500109.5I36 A94 P95 Y97 L200 C201 L203I36-M111 HydrophobicContact CD1-CE 3.5Å; A94-M111 HydrophobicContact CB-CE 4.49Å; A94-M111 VanDerWaalsContact O-CE 3.26Å; A94-M111 WeakPolarHBondContact O-CE 3.48Å; P95-M111 PolarHBondContact O-N 3.23Å; Y97-M111 HydrophobicContact CD2-CE 4.13Å; Y97-M111 HydrophobicContact CD2-CG 3.99Å; Y97-M111 HydrophobicContact CE1-CB 4.43Å; Y97-M111 HydrophobicContact CE1-CG 4.46Å; Y97-M111 HydrophobicContact CE2-CG 3.71Å; Y97-M111 HydrophobicContact CG-CE 4.45Å; Y97-M111 HydrophobicContact CG-CG 4.48Å; M111-L200 CarbonylContact C-O 3.53Å; M111-L200 VanDerWaalsContact C-O 3.22Å; M111-L200 HydrophobicContact CG-CD2 4.11Å; M111-L200 HydrophobicContact CG-CG 4.04Å; M111-L200 HydrophobicContact SD-CD1 4.33Å; M111-L200 HydrophobicContact SD-CD2 3.38Å; M111-L200 WeakPolarHBondContact SD-CD2 3.48Å; M111-L200 HydrophobicContact SD-CG 3.48Å; M111-L200 WeakPolarHBondContact SD-CG 3.04Å; M111-C201 WeakPolarHBondContact CB-O 3.18Å; M111-C201 WeakPolarHBondContact O-CA 3.44Å; M111-L203 HydrophobicContact CE-CB 4.33Å; M111-L203 HydrophobicContact SD-CB 4.32Å
112D85.1Confident82.6Confident85 Ų8575.1 Ų75.146%0.45538%0.384SS..  trans-143.166.2-177.1-172.9-3.6000110Y97 E110 K199 L200Y97-D112 PolarHBondContact OH-N 2.92Å; Y97-D112 PolarHBondContact OH-O 2.77Å; E110-D112 PolarHBondContact O-N 2.85Å; D112-K199 WeakPolarHBondContact OD1-CD 3.32Å; D112-K199 WeakPolarHBondContact OD1-CE 3.45Å; D112-K199 WeakPolarHBondContact OD1-CG 3.3Å; D112-K199 IonicContact OD1-NZ 2.88Å; D112-K199 PolarHBondContact OD1-NZ 3.39Å; D112-K199 WeakPolarHBondContact OD2-CE 3.24Å; D112-K199 IonicContact OD2-NZ 3.53Å; D112-K199 PolarHBondContact OD2-NZ 3.42Å; D112-L200 PolarHBondContact N-O 3.32Å
113F87.9Confident83.7Confident18 Ų1866.5 Ų66.58%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-112.7115.4-178.5-158.8-76.8000111F38 A48 F50 L115 I121 L200F38-F113 HydrophobicContact CB-CZ 4.11Å; F38-F113 AromaticContact CD1-CD1 3.95Å; F38-F113 HydrophobicContact CD1-CD1 3.95Å; F38-F113 AromaticContact CD1-CE1 3.75Å; F38-F113 HydrophobicContact CD1-CE1 3.75Å; F38-F113 HydrophobicContact CD1-CE2 4.38Å; F38-F113 HydrophobicContact CD1-CG 4.36Å; F38-F113 AromaticContact CD1-CZ 3.97Å; F38-F113 HydrophobicContact CD1-CZ 3.97Å; F38-F113 HydrophobicContact CD2-CD2 4.01Å; F38-F113 AromaticContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CE2 3.79Å; F38-F113 HydrophobicContact CD2-CG 4.49Å; F38-F113 HydrophobicContact CD2-CZ 4.09Å; F38-F113 HydrophobicContact CE1-CB 4.41Å; F38-F113 AromaticContact CE1-CD1 3.71Å; F38-F113 HydrophobicContact CE1-CD1 3.71Å; F38-F113 HydrophobicContact CE1-CD2 4.36Å; F38-F113 HydrophobicContact CE1-CE1 4.02Å; F38-F113 AromaticContact CE1-CG 3.9Å; F38-F113 HydrophobicContact CE1-CG 3.9Å; F38-F113 HydrophobicContact CE1-CZ 4.45Å; F38-F113 AromaticContact CE2-CD2 3.74Å; F38-F113 HydrophobicContact CE2-CD2 3.74Å; F38-F113 HydrophobicContact CE2-CE2 4.02Å; F38-F113 HydrophobicContact CE2-CG 4.02Å; F38-F113 HydrophobicContact CG-CD1 4.48Å; F38-F113 HydrophobicContact CG-CD2 4.42Å; F38-F113 HydrophobicContact CG-CE1 4.06Å; F38-F113 AromaticContact CG-CE2 3.98Å; F38-F113 HydrophobicContact CG-CE2 3.98Å; F38-F113 AromaticContact CG-CZ 3.78Å; F38-F113 HydrophobicContact CG-CZ 3.78Å; F38-F113 HydrophobicContact CZ-CB 3.99Å; F38-F113 HydrophobicContact CZ-CD1 4.03Å; F38-F113 AromaticContact CZ-CD2 3.94Å; F38-F113 HydrophobicContact CZ-CD2 3.94Å; F38-F113 HydrophobicContact CZ-CE2 4.44Å; F38-F113 AromaticContact CZ-CG 3.7Å; F38-F113 HydrophobicContact CZ-CG 3.7Å; A48-F113 HydrophobicContact CB-CE2 4.37Å; F50-F113 HydrophobicContact CE2-CD2 4.18Å; F50-F113 HydrophobicContact CE2-CE2 4.14Å; F50-F113 HydrophobicContact CZ-CD2 4.22Å; F50-F113 HydrophobicContact CZ-CE2 4.3Å; F113-L115 HydrophobicContact CD1-CD2 3.83Å; F113-L115 HydrophobicContact CE1-CD2 4.18Å; F113-L115 PolarHBondContact O-N 3.35Å; F113-I121 HydrophobicContact CE1-CD1 3.7Å; F113-I121 HydrophobicContact CZ-CD1 4.42Å; F113-L200 HydrophobicContact CB-CB 4.27Å; F113-L200 PolarHBondContact N-O 3.05Å; F113-L200 VanDerWaalsContact O-CB 3.31Å; F113-L200 WeakPolarHBondContact O-CB 3.48Å; F113-L200 PolarHBondContact O-N 2.88Å
114I91.1Very high84.8Confident61 Ų6161.3 Ų61.331%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-69.9120.6175.5-60.1173.3000109.1R118 V197I114-R118 HydrophobicContact CG2-CG 4.46Å; I114-R118 WeakPolarHBondContact O-CD 3.37Å; I114-V197 HydrophobicContact CG2-CB 4.24Å
115L90.9Very high86Confident0 Ų059 Ų590%031%0.31CS..EExtended strand (participates in β ladder)trans-100.9-30.4178.4-71.2-175.3000113.9F38 F113 I121 I124 Y154 L181 M183 F198 L200F38-L115 HydrophobicContact CD1-CD2 4.17Å; F38-L115 HydrophobicContact CE1-CD2 3.88Å; F113-L115 HydrophobicContact CD1-CD2 3.83Å; F113-L115 HydrophobicContact CE1-CD2 4.18Å; F113-L115 PolarHBondContact O-N 3.35Å; L115-I121 HydrophobicContact CD2-CD1 3.9Å; L115-I124 HydrophobicContact CD1-CD1 3.88Å; L115-I124 HydrophobicContact CD2-CD1 3.84Å; L115-Y154 HydrophobicContact CB-CE2 4.34Å; L115-L181 HydrophobicContact CD1-CD1 3.8Å; L115-M183 HydrophobicContact CB-CE 3.82Å; L115-M183 HydrophobicContact CD1-CE 3.7Å; L115-M183 HydrophobicContact CD1-SD 3.66Å; L115-M183 HydrophobicContact CG-CE 3.95Å; L115-M183 HydrophobicContact CG-SD 4.44Å; L115-F198 PolarHBondContact N-O 3.45Å; L115-L200 HydrophobicContact CD1-CB 4.2Å; L115-L200 HydrophobicContact CD1-CD1 4.49Å; L115-L200 HydrophobicContact CG-CB 4.26Å
116W91.1Very high87.8Confident43 Ų4351.8 Ų51.816%0.16327%0.274CS..EExtended strand (participates in β ladder)trans-134137.5179.4-170.892.4000109.1C158 L159 L162 T196 V197 F198W116-C158 HydrophobicContact CB-CB 4.21Å; W116-C158 HydrophobicContact CG-CB 4.03Å; W116-L159 HydrophobicContact CZ2-CD2 4.16Å; W116-L162 HydrophobicContact CH2-CD1 4.03Å; W116-L162 HydrophobicContact CH2-CD2 4.38Å; W116-L162 HydrophobicContact CZ2-CD1 4.18Å; W116-L162 HydrophobicContact CZ3-CD2 4.2Å; W116-T196 WeakPolarHBondContact CZ3-O 3.36Å; W116-V197 WeakPolarHBondContact O-CA 3.47Å; W116-F198 HydrophobicContact CB-CB 4.11Å; W116-F198 HydrophobicContact CB-CD2 3.96Å; W116-F198 HydrophobicContact CD2-CD2 4.16Å; W116-F198 AromaticContact CE3-CD2 3.87Å; W116-F198 HydrophobicContact CE3-CD2 3.87Å; W116-F198 HydrophobicContact CE3-CE2 4.23Å; W116-F198 HydrophobicContact CG-CD2 4.21Å; W116-F198 PolarHBondContact N-O 2.8Å; W116-F198 PolarHBondContact O-N 3.49Å
117P88.4Confident89.6Confident70 Ų7051.4 Ų51.446%0.45526%0.264SS..SBendcis-90.528.714.236.9-38.1000115.7N119P117-N119 PolarHBondContact O-N 2.84Å
118R88.4Confident90.8Very high78 Ų7847.9 Ų47.929%0.29424%0.239SC..  trans-63126.5178.4-68.8-173.576.5147.6-1.1111.3I114 D120 I121 H151I114-R118 HydrophobicContact CG2-CG 4.46Å; I114-R118 WeakPolarHBondContact O-CD 3.37Å; R118-D120 WeakPolarHBondContact CB-OD1 3.17Å; R118-D120 IonicContact CZ-OD1 3.61Å; R118-D120 IonicContact CZ-OD2 3.44Å; R118-D120 IonicContact NE-OD1 3.8Å; R118-D120 PolarHBondContact NE-OD1 3.43Å; R118-D120 IonicContact NE-OD2 3.18Å; R118-D120 IonicContact NH2-OD1 2.94Å; R118-D120 PolarHBondContact NH2-OD1 3.49Å; R118-D120 IonicContact NH2-OD2 2.63Å; R118-D120 PolarHBondContact NH2-OD2 2.94Å; R118-I121 HydrophobicContact CB-CD1 4.39Å; R118-H151 PolarHBondContact O-CE1 2.85Å
119N89.6Confident91.4Very high111 Ų11144.7 Ų44.759%0.59422%0.22SC*.  trans-109.84175.568.9-5.1000112.7K41 P117K41-N119 VanDerWaalsContact CD-O 3.28Å; K41-N119 WeakPolarHBondContact CD-O 3.4Å; K41-N119 WeakPolarHBondContact CE-O 3.46Å; K41-N119 PolarHBondContact NZ-O 2.98Å; P117-N119 PolarHBondContact O-N 2.84Å
120D92.5Very high91.9Very high36 Ų3639.3 Ų39.319%0.19319%0.194CC..SBendtrans-85.9-12.9-176.267.8-44.6000113.1F40 K41 K45 R118F40-D120 CarbonylContact C-O 3.22Å; F40-D120 WeakPolarHBondContact CA-O 2.99Å; F40-D120 WeakPolarHBondContact CB-O 3.43Å; F40-D120 HydrophobicContact CD1-CB 4.49Å; F40-D120 WeakPolarHBondContact CD1-OD2 3.49Å; F40-D120 WeakPolarHBondContact CE1-OD2 3.32Å; K41-D120 PolarHBondContact N-O 3.07Å; K45-D120 IonicContact NZ-OD2 2.63Å; K45-D120 PolarHBondContact NZ-OD2 2.99Å; R118-D120 WeakPolarHBondContact CB-OD1 3.17Å; R118-D120 IonicContact CZ-OD1 3.61Å; R118-D120 IonicContact CZ-OD2 3.44Å; R118-D120 IonicContact NE-OD1 3.8Å; R118-D120 PolarHBondContact NE-OD1 3.43Å; R118-D120 IonicContact NE-OD2 3.18Å; R118-D120 IonicContact NH2-OD1 2.94Å; R118-D120 PolarHBondContact NH2-OD1 3.49Å; R118-D120 IonicContact NH2-OD2 2.63Å; R118-D120 PolarHBondContact NH2-OD2 2.94Å
121I94.5Very high92.2Very high0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-86.1131.9179.4-55.9170.4000109.4F40 K41 F113 L115 R118 H151 Y154F40-I121 HydrophobicContact CD1-CG1 4.1Å; F40-I121 HydrophobicContact CE1-CG1 4.05Å; K41-I121 VanDerWaalsContact CE-O 3.22Å; K41-I121 WeakPolarHBondContact CE-O 3.45Å; F113-I121 HydrophobicContact CE1-CD1 3.7Å; F113-I121 HydrophobicContact CZ-CD1 4.42Å; L115-I121 HydrophobicContact CD2-CD1 3.9Å; R118-I121 HydrophobicContact CB-CD1 4.39Å; I121-H151 WeakPolarHBondContact O-CB 3.16Å; I121-H151 VanDerWaalsContact O-CG 3.28Å; I121-Y154 WeakPolarHBondContact CB-OH 3.45Å; I121-Y154 WeakPolarHBondContact CG2-OH 3.47Å
122E95.3Very high92.5Very high82 Ų8234.8 Ų34.838%0.38317%0.171SC..EExtended strand (participates in β ladder)trans-86-51.1172-175.5-176164.200110.8V39 K41 H151V39-E122 PolarHBondContact O-N 3.21Å; K41-E122 HydrophobicContact CG-CB 3.91Å; E122-H151 VanDerWaalsContact O-CB 3.29Å; E122-H151 WeakPolarHBondContact O-CB 3.44Å; E122-H151 PolarHBondContact O-N 2.81Å
123K95.9Very high92.6Very high35 Ų3537.2 Ų37.215%0.15218%0.177CC..EExtended strand (participates in β ladder)trans-159.5160.1-17960.6177.4179.6173.80111.9V39 V125 E148 F149V39-K123 HydrophobicContact CB-CG 4.02Å; V39-K123 HydrophobicContact CG2-CG 4.23Å; V39-K123 PolarHBondContact N-O 2.85Å; V39-K123 PolarHBondContact O-N 2.85Å; K123-V125 HydrophobicContact CD-CG2 3.92Å; K123-V125 HydrophobicContact CG-CG2 4.04Å; K123-E148 IonicContact NZ-OE1 3.2Å; K123-E148 PolarHBondContact NZ-OE1 3.04Å; K123-E148 IonicContact NZ-OE2 3.57Å; K123-F149 CarbonylContact C-O 3.57Å; K123-F149 WeakPolarHBondContact CA-O 3.19Å
124I96.5Very high92.5Very high1 Ų139.4 Ų39.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-101.4128.8168-52.4173.2000106.9I36 A37 F38 L115 E148 F149 Y154 L181I36-I124 HydrophobicContact CG2-CG2 3.94Å; A37-I124 WeakPolarHBondContact O-CA 3.34Å; F38-I124 HydrophobicContact CD1-CD1 4.25Å; F38-I124 HydrophobicContact CD1-CG1 3.84Å; F38-I124 HydrophobicContact CD1-CG2 4.41Å; F38-I124 HydrophobicContact CE1-CD1 3.94Å; F38-I124 HydrophobicContact CE1-CG1 3.99Å; F38-I124 HydrophobicContact CE1-CG2 4.22Å; L115-I124 HydrophobicContact CD1-CD1 3.88Å; L115-I124 HydrophobicContact CD2-CD1 3.84Å; I124-E148 CarbonylContact O-C 3.6Å; I124-E148 WeakPolarHBondContact O-CA 3.3Å; I124-F149 HydrophobicContact CB-CB 4.38Å; I124-F149 PolarHBondContact N-O 3.45Å; I124-F149 PolarHBondContact O-N 3.4Å; I124-Y154 HydrophobicContact CD1-CD1 4.43Å; I124-Y154 HydrophobicContact CD1-CE1 4.1Å; I124-Y154 HydrophobicContact CG1-CE1 4.23Å; I124-L181 HydrophobicContact CD1-CD1 3.91Å; I124-L181 HydrophobicContact CD1-CD2 4.36Å
125V96.8Very high92.4Very high6 Ų637.3 Ų37.34%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-117.5128.6176.4-176.80000108.5A37 V39 K123 L127 F147 E148 Y227A37-V125 HydrophobicContact CB-CB 4.42Å; A37-V125 PolarHBondContact N-O 2.97Å; A37-V125 PolarHBondContact O-N 3.09Å; V39-V125 HydrophobicContact CG2-CG2 3.97Å; K123-V125 HydrophobicContact CD-CG2 3.92Å; K123-V125 HydrophobicContact CG-CG2 4.04Å; V125-L127 HydrophobicContact CG1-CD2 4.17Å; V125-L127 HydrophobicContact CG1-CG 4.4Å; V125-F147 WeakPolarHBondContact CA-O 3.15Å; V125-E148 HydrophobicContact CG1-CG 4.41Å; V125-E148 HydrophobicContact CG2-CG 4.2Å; V125-Y227 HydrophobicContact CB-CE1 4.48Å; V125-Y227 HydrophobicContact CG2-CE1 4.3Å
126C96.8Very high92Very high5 Ų542.5 Ų42.53%0.03422%0.224CC..EExtended strand (participates in β ladder)trans-108.9130.1171.2-550000109.6Y35 F147 L203 L205Y35-C126 CarbonylContact O-C 3.48Å; Y35-C126 WeakPolarHBondContact O-CA 3.47Å; C126-F147 HydrophobicContact CB-CB 3.75Å; C126-F147 PolarHBondContact N-O 3.24Å; C126-F147 WeakPolarHBondContact O-CB 3.39Å; C126-L203 WeakPolarHBondContact SG-CD1 3.47Å; C126-L205 HydrophobicContact CB-CD1 4.03Å; C126-L205 HydrophobicContact CB-CD2 3.78Å; C126-L205 HydrophobicContact CB-CG 4.48Å
127L96Very high91.8Very high27 Ų2748.5 Ų48.514%0.14126%0.259CS..EExtended strand (participates in β ladder)trans-109.7116.2178.5-58.8166.3000107.5I34 Y35 V125 F129 L224 Y227I34-L127 CarbonylContact C-O 3.53Å; I34-L127 VanDerWaalsContact CA-O 3.32Å; I34-L127 WeakPolarHBondContact CA-O 3.33Å; Y35-L127 PolarHBondContact N-O 2.93Å; Y35-L127 PolarHBondContact O-N 3.07Å; V125-L127 HydrophobicContact CG1-CD2 4.17Å; V125-L127 HydrophobicContact CG1-CG 4.4Å; L127-F129 HydrophobicContact CB-CE2 3.66Å; L127-F129 HydrophobicContact CB-CZ 4.22Å; L127-L224 HydrophobicContact CD1-CD2 3.56Å; L127-Y227 HydrophobicContact CD1-CD2 3.9Å; L127-Y227 HydrophobicContact CD1-CE2 3.9Å; L127-Y227 HydrophobicContact CD2-CE2 4.39Å
128L96.1Very high91.8Very high6 Ų647.2 Ų47.23%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-103.7127.5-179.9176.464.8000109.6F32 I34 L92 V143 F147 L205 L207F32-L128 HydrophobicContact CB-CD1 4.5Å; F32-L128 HydrophobicContact CD1-CD1 4.01Å; I34-L128 HydrophobicContact CD1-CD1 4.07Å; I34-L128 HydrophobicContact CG1-CD1 3.55Å; L92-L128 HydrophobicContact CD1-CD1 3.56Å; L92-L128 HydrophobicContact CD1-CD2 3.44Å; L92-L128 VanDerWaalsContact CD1-CD2 3.44Å; L92-L128 HydrophobicContact CD1-CG 4.16Å; L128-V143 HydrophobicContact CB-CB 4.4Å; L128-V143 HydrophobicContact CD2-CB 4.02Å; L128-V143 HydrophobicContact CD2-CG1 4.22Å; L128-V143 HydrophobicContact CD2-CG2 3.89Å; L128-V143 HydrophobicContact CG-CB 4.07Å; L128-V143 HydrophobicContact CG-CG2 3.76Å; L128-V143 PolarHBondContact O-N 2.83Å; L128-F147 HydrophobicContact CB-CD2 4.31Å; L128-F147 HydrophobicContact CB-CE2 3.85Å; L128-F147 HydrophobicContact CD2-CE2 3.96Å; L128-F147 HydrophobicContact CD2-CZ 4.21Å; L128-L205 HydrophobicContact CB-CD1 4.33Å; L128-L207 HydrophobicContact CD2-CD2 3.79Å
129F95.1Very high91.9Very high1 Ų147.4 Ų47.40%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-120.4149.1172-53.6-102.3000109.5F32 K33 Y35 L127 F140 R141 P142 I220 H223F32-F129 WeakPolarHBondContact CA-O 3.49Å; K33-F129 HydrophobicContact CB-CB 4.31Å; K33-F129 PolarHBondContact N-O 3.18Å; K33-F129 PolarHBondContact O-N 3.37Å; Y35-F129 AromaticContact CD2-CD2 3.99Å; Y35-F129 HydrophobicContact CD2-CD2 3.99Å; Y35-F129 AromaticContact CD2-CE2 3.7Å; Y35-F129 HydrophobicContact CD2-CE2 3.7Å; Y35-F129 HydrophobicContact CE2-CD2 4.29Å; Y35-F129 HydrophobicContact CE2-CE2 4.2Å; L127-F129 HydrophobicContact CB-CE2 3.66Å; L127-F129 HydrophobicContact CB-CZ 4.22Å; F129-F140 HydrophobicContact CB-CB 3.91Å; F129-F140 HydrophobicContact CB-CD1 4.3Å; F129-R141 CarbonylContact C-O 3.53Å; F129-R141 WeakPolarHBondContact CA-O 3.22Å; F129-R141 WeakPolarHBondContact CB-O 3.48Å; F129-P142 HydrophobicContact CD1-CB 3.99Å; F129-P142 HydrophobicContact CE1-CB 3.9Å; F129-I220 HydrophobicContact CD1-CG1 3.67Å; F129-I220 HydrophobicContact CD2-CG1 4.26Å; F129-I220 HydrophobicContact CE1-CB 4.28Å; F129-I220 HydrophobicContact CE1-CG1 3.82Å; F129-I220 HydrophobicContact CE2-CG1 4.38Å; F129-I220 HydrophobicContact CG-CG1 3.93Å; F129-I220 HydrophobicContact CZ-CB 4.43Å; F129-I220 HydrophobicContact CZ-CG1 4.18Å; F129-H223 HydrophobicContact CE1-CB 4.08Å; F129-H223 HydrophobicContact CZ-CB 3.71Å
130S93.6Very high92.1Very high0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-142.2161.3171.668.40000112.2D31 R141 V143 W215D31-S130 WeakPolarHBondContact O-CA 3.12Å; D31-S130 WeakPolarHBondContact O-CB 3.08Å; S130-R141 PolarHBondContact N-O 2.86Å; S130-R141 PolarHBondContact O-N 2.84Å; S130-V143 WeakPolarHBondContact OG-CG2 3.33Å; S130-W215 PolarHBondContact OG-NE1 3.35Å
131R91.7Very high92.2Very high36 Ų3647.5 Ų47.514%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-144.2165.3170.565.5177.1-170.8175.15.9109.2F30 D31 K133 D136 E138 F140F30-R131 CarbonylContact C-O 3.57Å; F30-R131 WeakPolarHBondContact CA-O 3.38Å; F30-R131 WeakPolarHBondContact CB-O 3.46Å; F30-R131 WeakPolarHBondContact CD1-O 3.32Å; D31-R131 HydrophobicContact CB-CG 3.91Å; D31-R131 PolarHBondContact N-O 3.38Å; D31-R131 PolarHBondContact O-N 2.87Å; D31-R131 IonicContact OD2-CZ 3.74Å; D31-R131 IonicContact OD2-NE 3.6Å; D31-R131 PolarHBondContact OD2-NE 3.22Å; D31-R131 VanDerWaalsContact OD2-NE 3.17Å; D31-R131 IonicContact OD2-NH2 2.7Å; D31-R131 PolarHBondContact OD2-NH2 2.73Å; R131-K133 PolarHBondContact O-N 3.25Å; R131-D136 IonicContact CZ-OD1 3.41Å; R131-D136 PolarHBondContact NH1-O 2.9Å; R131-D136 IonicContact NH1-OD1 2.86Å; R131-D136 IonicContact NH2-OD1 3.87Å; R131-D136 PolarHBondContact NH2-OD1 3.16Å; R131-E138 WeakPolarHBondContact CD-O 3.26Å; R131-F140 HydrophobicContact CB-CD1 4.37Å; R131-F140 HydrophobicContact CG-CD1 4Å; R131-F140 HydrophobicContact CG-CE1 3.79Å; R131-F140 HydrophobicContact CG-CE2 4.39Å; R131-F140 HydrophobicContact CG-CG 4.4Å; R131-F140 HydrophobicContact CG-CZ 4Å
132W89.1Confident92.2Very high30 Ų3047.9 Ų47.911%0.11425%0.252CS..EExtended strand (participates in β ladder)trans-63.1133.9172.2-68.8112.6000110.4L15 Q29 F30 G134 A135 W215L15-W132 HydrophobicContact CD1-CH2 3.73Å; L15-W132 HydrophobicContact CD1-CZ3 3.63Å; Q29-W132 HydrophobicContact CB-CE3 4.32Å; Q29-W132 HydrophobicContact CB-CZ3 4.07Å; F30-W132 HydrophobicContact CD1-CD2 4.4Å; F30-W132 HydrophobicContact CD1-CE3 4.08Å; F30-W132 HydrophobicContact CD1-CZ3 4.34Å; F30-W132 AromaticContact CE1-CD2 3.85Å; F30-W132 HydrophobicContact CE1-CD2 3.85Å; F30-W132 AromaticContact CE1-CE3 3.58Å; F30-W132 HydrophobicContact CE1-CE3 3.58Å; F30-W132 AromaticContact CE1-CH2 3.74Å; F30-W132 HydrophobicContact CE1-CH2 3.74Å; F30-W132 HydrophobicContact CE1-CZ2 4Å; F30-W132 AromaticContact CE1-CZ3 3.52Å; F30-W132 HydrophobicContact CE1-CZ3 3.52Å; F30-W132 HydrophobicContact CE2-CH2 4.43Å; F30-W132 HydrophobicContact CE2-CZ3 4.04Å; F30-W132 HydrophobicContact CZ-CD2 4.5Å; F30-W132 AromaticContact CZ-CE3 3.9Å; F30-W132 HydrophobicContact CZ-CE3 3.9Å; F30-W132 AromaticContact CZ-CH2 3.44Å; F30-W132 HydrophobicContact CZ-CH2 3.44Å; F30-W132 VanDerWaalsContact CZ-CH2 3.44Å; F30-W132 HydrophobicContact CZ-CZ2 4.1Å; F30-W132 AromaticContact CZ-CZ3 3.33Å; F30-W132 HydrophobicContact CZ-CZ3 3.33Å; W132-G134 PolarHBondContact O-N 3.27Å; W132-A135 HydrophobicContact CB-CB 3.89Å; W132-A135 WeakPolarHBondContact O-CB 3.43Å; W132-A135 PolarHBondContact O-N 3.42Å; W132-A135 VanDerWaalsContact O-N 3.12Å; W132-W215 AromaticContact CD1-CH2 3.47Å; W132-W215 VanDerWaalsContact CD1-CH2 3.47Å; W132-W215 HydrophobicContact CD2-CH2 4.21Å; W132-W215 AromaticContact CE2-CH2 3.73Å; W132-W215 HydrophobicContact CG-CH2 4.04Å; W132-W215 HydrophobicContact CZ2-CH2 4.39Å; W132-W215 AromaticContact NE1-CH2 3.24Å; W132-W215 AromaticContact NE1-CZ3 3.63Å
133K87.9Confident92.2Very high136 Ų13644.5 Ų44.559%0.59124%0.236SC*.THydrogen-bonded Turntrans-61.7134.1173.4-173.2170.1-173.5173.10110.2D28 Q29 R131 A135D28-K133 WeakPolarHBondContact O-CD 3.49Å; Q29-K133 WeakPolarHBondContact O-CB 3.38Å; Q29-K133 PolarHBondContact O-N 3.09Å; R131-K133 PolarHBondContact O-N 3.25Å; K133-A135 PolarHBondContact O-N 2.89Å
134G85.6Confident92Very high64 Ų6448.8 Ų48.866%0.6626%0.257SS*.THydrogen-bonded Turntrans76.14.2-176.600000114.7W132 D136W132-G134 PolarHBondContact O-N 3.27Å; G134-D136 VanDerWaalsContact C-N 3.33Å; G134-D136 PolarHBondContact O-N 3.2Å
135A87.8Confident91.7Very high16 Ų1650.1 Ų50.113%0.13227%0.269CS..  trans-96.263.1167.700000109.4W132 K133 D137 E138W132-A135 HydrophobicContact CB-CB 3.89Å; W132-A135 WeakPolarHBondContact O-CB 3.43Å; W132-A135 PolarHBondContact O-N 3.42Å; W132-A135 VanDerWaalsContact O-N 3.12Å; K133-A135 PolarHBondContact O-N 2.89Å; A135-D137 PolarHBondContact O-N 3.34Å; A135-E138 HydrophobicContact CB-CB 4.27Å; A135-E138 HydrophobicContact CB-CG 4Å; A135-E138 PolarHBondContact O-N 3.15Å
136D84.4Confident91.5Very high109 Ų10956.6 Ų56.658%0.58330%0.296SS*.THydrogen-bonded Turntrans-63.8-28.6-172.2-71.3-41.2000113.6R131 G134 E138R131-D136 IonicContact CZ-OD1 3.41Å; R131-D136 PolarHBondContact NH1-O 2.9Å; R131-D136 IonicContact NH1-OD1 2.86Å; R131-D136 IonicContact NH2-OD1 3.87Å; R131-D136 PolarHBondContact NH2-OD1 3.16Å; G134-D136 VanDerWaalsContact C-N 3.33Å; G134-D136 PolarHBondContact O-N 3.2Å; D136-E138 PolarHBondContact O-N 3.1Å
137D86.8Confident91.5Very high169 Ų16956.6 Ų56.690%0.90430%0.296SS*.THydrogen-bonded Turntrans-75.1-7.4177.1-57.9-41.2000113.3A135A135-D137 PolarHBondContact O-N 3.34Å
138E87.9Confident91.5Very high43 Ų4356.8 Ų56.820%0.20130%0.296CS..SBendtrans-97.5140-179.3-58.7-156.1153.600112.7R8 R131 A135 D136R8-E138 IonicContact CZ-OE1 3.51Å; R8-E138 IonicContact CZ-OE2 3.69Å; R8-E138 VanDerWaalsContact NH1-CD 3.27Å; R8-E138 IonicContact NH1-OE1 3.51Å; R8-E138 PolarHBondContact NH1-OE1 2.6Å; R8-E138 IonicContact NH1-OE2 2.77Å; R8-E138 PolarHBondContact NH1-OE2 3.16Å; R8-E138 VanDerWaalsContact NH1-OE2 3.16Å; R8-E138 IonicContact NH2-OE1 3.16Å; R8-E138 PolarHBondContact NH2-OE1 2.66Å; R8-E138 IonicContact NH2-OE2 3.97Å; R131-E138 WeakPolarHBondContact CD-O 3.26Å; A135-E138 HydrophobicContact CB-CB 4.27Å; A135-E138 HydrophobicContact CB-CG 4Å; A135-E138 PolarHBondContact O-N 3.15Å; D136-E138 PolarHBondContact O-N 3.1Å
139P90.9Very high91.5Very high83 Ų8356.5 Ų56.554%0.53929%0.294SS..PPolyproline II helixtrans-70147.2176.330.2-34.7000110.5R141P139-R141 PolarHBondContact O-N 2.79Å
140F93.6Very high91.5Very high40 Ų4060.1 Ų60.118%0.17531%0.311CS..PPolyproline II helixtrans-60.2131164.8-79.5-86.9000110.1D31 K33 F129 R131 I220D31-F140 HydrophobicContact CB-CE1 3.95Å; D31-F140 HydrophobicContact CB-CZ 4Å; K33-F140 HydrophobicContact CB-CD1 3.81Å; K33-F140 HydrophobicContact CB-CE1 3.91Å; K33-F140 HydrophobicContact CB-CG 4.25Å; K33-F140 HydrophobicContact CB-CZ 4.42Å; K33-F140 HydrophobicContact CD-CD2 4.49Å; F129-F140 HydrophobicContact CB-CB 3.91Å; F129-F140 HydrophobicContact CB-CD1 4.3Å; R131-F140 HydrophobicContact CB-CD1 4.37Å; R131-F140 HydrophobicContact CG-CD1 4Å; R131-F140 HydrophobicContact CG-CE1 3.79Å; R131-F140 HydrophobicContact CG-CE2 4.39Å; R131-F140 HydrophobicContact CG-CG 4.4Å; R131-F140 HydrophobicContact CG-CZ 4Å; F140-I220 HydrophobicContact CB-CD1 3.68Å; F140-I220 HydrophobicContact CB-CG1 4.18Å; F140-I220 HydrophobicContact CD2-CD1 4.48Å; F140-I220 HydrophobicContact CG-CD1 4.33Å
141R93.8Very high91.6Very high108 Ų10860.6 Ų60.641%0.40831%0.313SS..EExtended strand (participates in β ladder)trans-111.8145.1179-62.6-173.8-173.8-158.50.4110.7F129 S130 P139 V143 W215F129-R141 CarbonylContact C-O 3.53Å; F129-R141 WeakPolarHBondContact CA-O 3.22Å; F129-R141 WeakPolarHBondContact CB-O 3.48Å; S130-R141 PolarHBondContact N-O 2.86Å; S130-R141 PolarHBondContact O-N 2.84Å; P139-R141 PolarHBondContact O-N 2.79Å; R141-V143 PolarHBondContact O-N 2.77Å; R141-W215 HydrophobicContact CB-CB 3.94Å; R141-W215 HydrophobicContact CB-CD2 4.3Å; R141-W215 HydrophobicContact CB-CG 3.84Å
142P95.1Very high91.5Very high9 Ų960.5 Ų60.56%0.05832%0.323CS..EExtended strand (participates in β ladder)trans-63.6133.5179.328.8-38000110.1F129 W215 G216 G218F129-P142 HydrophobicContact CD1-CB 3.99Å; F129-P142 HydrophobicContact CE1-CB 3.9Å; P142-W215 CarbonylContact O-C 3.49Å; P142-W215 VanDerWaalsContact O-CA 3.3Å; P142-W215 WeakPolarHBondContact O-CA 3.47Å; P142-G216 PolarHBondContact O-N 3.43Å; P142-G218 VanDerWaalsContact CD-O 3.3Å; P142-G218 WeakPolarHBondContact CD-O 3.42Å
143V94.9Very high91.6Very high10 Ų1061.1 Ų61.16%0.06133%0.329CS..BIsolated β-bridgetrans-76133.9168.6179.40000108.1L128 S130 R141 A145 L207L128-V143 HydrophobicContact CB-CB 4.4Å; L128-V143 HydrophobicContact CD2-CB 4.02Å; L128-V143 HydrophobicContact CD2-CG1 4.22Å; L128-V143 HydrophobicContact CD2-CG2 3.89Å; L128-V143 HydrophobicContact CG-CB 4.07Å; L128-V143 HydrophobicContact CG-CG2 3.76Å; L128-V143 PolarHBondContact O-N 2.83Å; S130-V143 WeakPolarHBondContact OG-CG2 3.33Å; R141-V143 PolarHBondContact O-N 2.77Å; V143-A145 HydrophobicContact CG1-CB 4.14Å; V143-A145 PolarHBondContact O-N 2.92Å; V143-L207 HydrophobicContact CG1-CD1 4.06Å; V143-L207 HydrophobicContact CG1-CD2 3.97Å
144Q91.7Very high91.8Very high125 Ų12554.7 Ų54.758%0.58430%0.301SS*.SBendtrans-75.962.3179.6-63.2-172.75.400112C214 W215Q144-C214 HydrophobicContact CB-CB 4.44Å; Q144-C214 PolarHBondContact N-O 2.81Å; Q144-W215 PolarHBondContact NE2-O 2.88Å
145A91.2Very high92.1Very high30 Ų3054.6 Ų54.625%0.24828%0.283CS..  trans-138.1144.6178.700000110.4V143 F147 L207V143-A145 HydrophobicContact CG1-CB 4.14Å; V143-A145 PolarHBondContact O-N 2.92Å; A145-F147 HydrophobicContact CB-CD2 4.45Å; A145-F147 HydrophobicContact CB-CE2 3.61Å; A145-F147 HydrophobicContact CB-CZ 3.76Å; A145-L207 HydrophobicContact CB-CD1 3.44Å; A145-L207 VanDerWaalsContact CB-CD1 3.44Å
146K92.1Very high92.1Very high142 Ų14260.6 Ų60.662%0.61731%0.307SS*.  trans-105.8119.7-175.8-167.5177.6178.9-166.10111E148 S178K146-E148 WeakPolarHBondContact CE-OE1 3.24Å; K146-E148 WeakPolarHBondContact CE-OE2 3.07Å; K146-E148 HydrophobicContact CG-CG 4.13Å; K146-E148 IonicContact NZ-OE1 2.89Å; K146-E148 IonicContact NZ-OE2 3.17Å; K146-E148 PolarHBondContact NZ-OE2 3.04Å; K146-S178 PolarHBondContact O-OG 3.28Å
147F95.9Very high92.4Very high5 Ų556.9 Ų56.92%0.02229%0.286CS..EExtended strand (participates in β ladder)trans-121.290.1-179.9-57.6-73.3000109.9V125 C126 L128 A145 S178 V179 L205 L207V125-F147 WeakPolarHBondContact CA-O 3.15Å; C126-F147 HydrophobicContact CB-CB 3.75Å; C126-F147 PolarHBondContact N-O 3.24Å; C126-F147 WeakPolarHBondContact O-CB 3.39Å; L128-F147 HydrophobicContact CB-CD2 4.31Å; L128-F147 HydrophobicContact CB-CE2 3.85Å; L128-F147 HydrophobicContact CD2-CE2 3.96Å; L128-F147 HydrophobicContact CD2-CZ 4.21Å; A145-F147 HydrophobicContact CB-CD2 4.45Å; A145-F147 HydrophobicContact CB-CE2 3.61Å; A145-F147 HydrophobicContact CB-CZ 3.76Å; F147-S178 WeakPolarHBondContact CD1-O 3.44Å; F147-V179 HydrophobicContact CB-CG2 3.66Å; F147-V179 HydrophobicContact CD1-CG2 4.06Å; F147-V179 HydrophobicContact CG-CG2 4.37Å; F147-L205 HydrophobicContact CB-CD2 3.97Å; F147-L205 HydrophobicContact CD1-CB 4.15Å; F147-L205 HydrophobicContact CD1-CD1 4.35Å; F147-L205 HydrophobicContact CD1-CD2 3.68Å; F147-L205 HydrophobicContact CD1-CG 4.29Å; F147-L205 HydrophobicContact CD2-CD1 4.06Å; F147-L205 HydrophobicContact CE1-CB 3.87Å; F147-L205 HydrophobicContact CE1-CD1 4.45Å; F147-L205 HydrophobicContact CE1-CD2 4.27Å; F147-L205 HydrophobicContact CE1-CG 4.44Å; F147-L205 HydrophobicContact CE2-CD1 4.17Å; F147-L205 HydrophobicContact CG-CD1 4.13Å; F147-L205 HydrophobicContact CG-CD2 3.84Å; F147-L205 HydrophobicContact CG-CG 4.47Å; F147-L205 HydrophobicContact CZ-CB 4.23Å; F147-L205 HydrophobicContact CZ-CD1 4.34Å; F147-L207 HydrophobicContact CZ-CB 4.29Å; F147-L207 HydrophobicContact CZ-CD1 3.89Å
148E96.3Very high92.5Very high31 Ų3148.8 Ų48.815%0.14524%0.243CC..EExtended strand (participates in β ladder)trans-128.6139.1178.4-63.1-168.9154.600110.7K123 I124 V125 K146 H150 N174K123-E148 IonicContact NZ-OE1 3.2Å; K123-E148 PolarHBondContact NZ-OE1 3.04Å; K123-E148 IonicContact NZ-OE2 3.57Å; I124-E148 CarbonylContact O-C 3.6Å; I124-E148 WeakPolarHBondContact O-CA 3.3Å; V125-E148 HydrophobicContact CG1-CG 4.41Å; V125-E148 HydrophobicContact CG2-CG 4.2Å; K146-E148 WeakPolarHBondContact CE-OE1 3.24Å; K146-E148 WeakPolarHBondContact CE-OE2 3.07Å; K146-E148 HydrophobicContact CG-CG 4.13Å; K146-E148 IonicContact NZ-OE1 2.89Å; K146-E148 IonicContact NZ-OE2 3.17Å; K146-E148 PolarHBondContact NZ-OE2 3.04Å; E148-H150 IonicContact OE2-NE2 3.9Å; E148-N174 WeakPolarHBondContact O-CB 3.24Å; E148-N174 PolarHBondContact O-ND2 3.18Å
149F96.1Very high92.5Very high0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-130.3107.3174.5-155.5160.3000109.4K123 I124 D153 Y154 M172 N173 N174 V179 L181K123-F149 CarbonylContact C-O 3.57Å; K123-F149 WeakPolarHBondContact CA-O 3.19Å; I124-F149 HydrophobicContact CB-CB 4.38Å; I124-F149 PolarHBondContact N-O 3.45Å; I124-F149 PolarHBondContact O-N 3.4Å; F149-D153 HydrophobicContact CD2-CB 4.04Å; F149-D153 HydrophobicContact CE2-CB 3.66Å; F149-Y154 HydrophobicContact CD2-CD1 4.03Å; F149-Y154 HydrophobicContact CE2-CD1 4.35Å; F149-Y154 HydrophobicContact CE2-CG 4.48Å; F149-Y154 HydrophobicContact CG-CD1 4.3Å; F149-M172 HydrophobicContact CE1-CB 4.31Å; F149-M172 HydrophobicContact CZ-CB 4.28Å; F149-N173 WeakPolarHBondContact CZ-O 3.41Å; F149-N174 HydrophobicContact CB-CB 4.16Å; F149-N174 HydrophobicContact CD1-CB 4.07Å; F149-N174 HydrophobicContact CD2-CB 3.78Å; F149-N174 HydrophobicContact CE1-CB 4.44Å; F149-N174 HydrophobicContact CE2-CB 4.15Å; F149-N174 HydrophobicContact CG-CB 3.75Å; F149-N174 HydrophobicContact CZ-CB 4.49Å; F149-V179 HydrophobicContact CD1-CB 4.48Å; F149-V179 HydrophobicContact CD1-CG1 4.25Å; F149-L181 HydrophobicContact CD1-CD1 3.38Å; F149-L181 HydrophobicContact CD1-CD2 4.2Å; F149-L181 HydrophobicContact CD1-CG 3.55Å; F149-L181 HydrophobicContact CE1-CB 4.46Å; F149-L181 HydrophobicContact CE1-CD1 3.43Å; F149-L181 VanDerWaalsContact CE1-CD1 3.43Å; F149-L181 HydrophobicContact CE1-CG 3.58Å; F149-L181 HydrophobicContact CG-CD1 4.28Å; F149-L181 HydrophobicContact CZ-CD1 4.38Å
150H95.6Very high92.2Very high77 Ų7752.1 Ų52.136%0.35625%0.253SS..EExtended strand (participates in β ladder)trans-75.9148.1-177.9-72-84000112.3E148 G152 D153 Y154E148-H150 IonicContact OE2-NE2 3.9Å; H150-G152 VanDerWaalsContact C-N 3.33Å; H150-G152 PolarHBondContact O-N 3.01Å; H150-D153 PolarHBondContact O-N 2.99Å; H150-Y154 VanDerWaalsContact O-CD1 3.25Å; H150-Y154 WeakPolarHBondContact O-CD1 3.43Å; H150-Y154 PolarHBondContact O-N 3.44Å
151H94.4Very high91.8Very high9 Ų950.3 Ų50.34%0.04225%0.246CC..Hα-helixtrans-55.4-44.5179.2174.871.2000113.8K41 R118 I121 E122 D153 Y154 E155K41-H151 PolarHBondContact NZ-CD2 3.3Å; K41-H151 VanDerWaalsContact NZ-CD2 3.34Å; K41-H151 PolarHBondContact NZ-NE2 2.83Å; R118-H151 PolarHBondContact O-CE1 2.85Å; I121-H151 WeakPolarHBondContact O-CB 3.16Å; I121-H151 VanDerWaalsContact O-CG 3.28Å; E122-H151 VanDerWaalsContact O-CB 3.29Å; E122-H151 WeakPolarHBondContact O-CB 3.44Å; E122-H151 PolarHBondContact O-N 2.81Å; H151-D153 PolarHBondContact O-N 3.32Å; H151-D153 VanDerWaalsContact O-N 3.13Å; H151-Y154 VanDerWaalsContact CA-CZ 3.46Å; H151-Y154 HydrophobicContact CB-CE1 4.11Å; H151-Y154 AromaticContact CG-CZ 3.98Å; H151-Y154 AromaticContact ND1-CE2 3.39Å; H151-Y154 WeakPolarHBondContact ND1-CE2 3.45Å; H151-Y154 AromaticContact ND1-CZ 3.39Å; H151-Y154 PolarHBondContact ND1-OH 2.98Å; H151-Y154 PolarHBondContact O-N 3.2Å; H151-E155 IonicContact NE2-OE1 3.3Å; H151-E155 IonicContact NE2-OE2 3.72Å; H151-E155 WeakPolarHBondContact O-CB 3.42Å; H151-E155 PolarHBondContact O-N 2.82Å
152G91.3Very high91.3Very high34 Ų3448.1 Ų48.135%0.35124%0.241SC..Hα-helixtrans-61.6-23.1178.700000114.1H150 K156H150-G152 VanDerWaalsContact C-N 3.33Å; H150-G152 PolarHBondContact O-N 3.01Å; G152-K156 VanDerWaalsContact O-CD 3.26Å; G152-K156 WeakPolarHBondContact O-CD 3.07Å; G152-K156 WeakPolarHBondContact O-CE 3.42Å; G152-K156 WeakPolarHBondContact O-CG 3.05Å
153D91.1Very high90.4Very high44 Ų4451.3 Ų51.324%0.23528%0.276CS..Hα-helixtrans-85.5-48.2-178.8-61.9-33.8000111.6F149 H150 H151 Q157 P175F149-D153 HydrophobicContact CD2-CB 4.04Å; F149-D153 HydrophobicContact CE2-CB 3.66Å; H150-D153 PolarHBondContact O-N 2.99Å; H151-D153 PolarHBondContact O-N 3.32Å; H151-D153 VanDerWaalsContact O-N 3.13Å; D153-Q157 PolarHBondContact O-N 2.89Å; D153-Q157 PolarHBondContact O-NE2 3.44Å; D153-P175 HydrophobicContact CB-CG 4.48Å
154Y90.5Very high89.5Confident0 Ų053.4 Ų53.40%028%0.283CS..Hα-helixtrans-74.7-27.6177.765.6-111.6000112.1L115 I121 I124 F149 H150 H151 Q157 C158L115-Y154 HydrophobicContact CB-CE2 4.34Å; I121-Y154 WeakPolarHBondContact CB-OH 3.45Å; I121-Y154 WeakPolarHBondContact CG2-OH 3.47Å; I124-Y154 HydrophobicContact CD1-CD1 4.43Å; I124-Y154 HydrophobicContact CD1-CE1 4.1Å; I124-Y154 HydrophobicContact CG1-CE1 4.23Å; F149-Y154 HydrophobicContact CD2-CD1 4.03Å; F149-Y154 HydrophobicContact CE2-CD1 4.35Å; F149-Y154 HydrophobicContact CE2-CG 4.48Å; F149-Y154 HydrophobicContact CG-CD1 4.3Å; H150-Y154 VanDerWaalsContact O-CD1 3.25Å; H150-Y154 WeakPolarHBondContact O-CD1 3.43Å; H150-Y154 PolarHBondContact O-N 3.44Å; H151-Y154 VanDerWaalsContact CA-CZ 3.46Å; H151-Y154 HydrophobicContact CB-CE1 4.11Å; H151-Y154 AromaticContact CG-CZ 3.98Å; H151-Y154 AromaticContact ND1-CE2 3.39Å; H151-Y154 WeakPolarHBondContact ND1-CE2 3.45Å; H151-Y154 AromaticContact ND1-CZ 3.39Å; H151-Y154 PolarHBondContact ND1-OH 2.98Å; H151-Y154 PolarHBondContact O-N 3.2Å; Y154-Q157 PolarHBondContact O-N 3.45Å; Y154-C158 PolarHBondContact O-N 3.37Å; Y154-C158 PolarHBondContact O-SG 2.86Å
155E91.8Very high88.5Confident62 Ų6256.7 Ų56.729%0.2930%0.295SS..Hα-helixtrans-63.4-44.3176-179.4177.4-139.400111H151 Q157 C158 L159H151-E155 IonicContact NE2-OE1 3.3Å; H151-E155 IonicContact NE2-OE2 3.72Å; H151-E155 WeakPolarHBondContact O-CB 3.42Å; H151-E155 PolarHBondContact O-N 2.82Å; E155-Q157 VanDerWaalsContact C-N 3.26Å; E155-Q157 PolarHBondContact O-N 3.21Å; E155-C158 WeakPolarHBondContact O-CB 3.18Å; E155-C158 PolarHBondContact O-N 3.09Å; E155-C158 VanDerWaalsContact O-N 3.14Å; E155-L159 HydrophobicContact CG-CD1 4.18Å; E155-L159 HydrophobicContact CG-CG 4.38Å; E155-L159 WeakPolarHBondContact O-CG 3.37Å; E155-L159 PolarHBondContact O-N 2.81Å
156K89.7Confident87.4Confident143 Ų14358.6 Ų58.662%0.62230%0.301SS*.Hα-helixtrans-56.3-42.8173.9-72.7169.2-171.4170.50111.5G152 L159 H160G152-K156 VanDerWaalsContact O-CD 3.26Å; G152-K156 WeakPolarHBondContact O-CD 3.07Å; G152-K156 WeakPolarHBondContact O-CE 3.42Å; G152-K156 WeakPolarHBondContact O-CG 3.05Å; K156-L159 PolarHBondContact O-N 2.87Å; K156-H160 PolarHBondContact O-N 3.01Å
157Q89.6Confident86.4Confident30 Ų3058 Ų5814%0.1430%0.299CS..Hα-helixtrans-68.4-38.8177.3-67.8176.256.600112D153 Y154 E155 H160 A161 M172 N173D153-Q157 PolarHBondContact O-N 2.89Å; D153-Q157 PolarHBondContact O-NE2 3.44Å; Y154-Q157 PolarHBondContact O-N 3.45Å; E155-Q157 VanDerWaalsContact C-N 3.26Å; E155-Q157 PolarHBondContact O-N 3.21Å; Q157-H160 PolarHBondContact O-N 2.73Å; Q157-A161 WeakPolarHBondContact O-CB 3.48Å; Q157-A161 PolarHBondContact O-N 2.81Å; Q157-M172 HydrophobicContact CB-CB 4.48Å; Q157-M172 HydrophobicContact CB-CG 4.02Å; Q157-M172 HydrophobicContact CB-SD 4.01Å; Q157-M172 VanDerWaalsContact OE1-CB 3.25Å; Q157-N173 PolarHBondContact NE2-O 2.81Å; Q157-N173 VanDerWaalsContact OE1-N 3.11Å
158C88.6Confident85.4Confident0 Ų061 Ų610%032%0.324CS..Hα-helixtrans-61.3-45172.5-68.50000111.7W116 Y154 E155 A161 L162 M172 F198W116-C158 HydrophobicContact CB-CB 4.21Å; W116-C158 HydrophobicContact CG-CB 4.03Å; Y154-C158 PolarHBondContact O-N 3.37Å; Y154-C158 PolarHBondContact O-SG 2.86Å; E155-C158 WeakPolarHBondContact O-CB 3.18Å; E155-C158 PolarHBondContact O-N 3.09Å; E155-C158 VanDerWaalsContact O-N 3.14Å; C158-A161 WeakPolarHBondContact O-CB 3.28Å; C158-A161 PolarHBondContact O-N 3.11Å; C158-L162 PolarHBondContact O-N 3.41Å; C158-L162 VanDerWaalsContact O-N 3.09Å; C158-M172 HydrophobicContact CB-CE 4.33Å; C158-M172 VanDerWaalsContact SG-CE 3.53Å; C158-M172 VanDerWaalsContact SG-SD 3.64Å; C158-F198 HydrophobicContact CB-CD2 3.97Å; C158-F198 HydrophobicContact CB-CE2 4.06Å; C158-F198 WeakPolarHBondContact O-CE2 3.39Å
159L88.6Confident84.2Confident89 Ų8961.5 Ų61.547%0.46634%0.338SS..Hα-helixtrans-64.2-42.2178.7-69.9173.6000111.5W116 E155 K156 A161 L162W116-L159 HydrophobicContact CZ2-CD2 4.16Å; E155-L159 HydrophobicContact CG-CD1 4.18Å; E155-L159 HydrophobicContact CG-CG 4.38Å; E155-L159 WeakPolarHBondContact O-CG 3.37Å; E155-L159 PolarHBondContact O-N 2.81Å; K156-L159 PolarHBondContact O-N 2.87Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.41Å; L159-L162 HydrophobicContact CD2-CD1 3.99Å; L159-L162 WeakPolarHBondContact O-CB 3.3Å; L159-L162 PolarHBondContact O-N 3.24Å
160H85.1Confident83.5Confident107 Ų10762 Ų6250%0.49534%0.341SS..Hα-helixtrans-64.1-37.4173.5-173.1-117.8000112.2K156 Q157 L162 G163 R164K156-H160 PolarHBondContact O-N 3.01Å; Q157-H160 PolarHBondContact O-N 2.73Å; H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.43Å; H160-G163 PolarHBondContact O-N 3.14Å; H160-R164 PolarHBondContact CE1-NH2 2.91Å; H160-R164 PolarHBondContact ND1-NH2 3.36Å
161A84.8Confident83Confident2 Ų260.3 Ų60.32%0.01734%0.336CS..Hα-helixtrans-65.1-26.5176.700000113.9Q157 C158 L159 G163 R164 M170 M172 F198Q157-A161 WeakPolarHBondContact O-CB 3.48Å; Q157-A161 PolarHBondContact O-N 2.81Å; C158-A161 WeakPolarHBondContact O-CB 3.28Å; C158-A161 PolarHBondContact O-N 3.11Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.41Å; A161-G163 PolarHBondContact O-N 2.81Å; A161-R164 WeakPolarHBondContact O-CB 3.47Å; A161-R164 PolarHBondContact O-N 3.03Å; A161-M170 HydrophobicContact CB-CE 3.17Å; A161-M170 HydrophobicContact CB-SD 4.1Å; A161-M172 HydrophobicContact CB-CE 4.38Å; A161-F198 HydrophobicContact CB-CE1 3.84Å; A161-F198 HydrophobicContact CB-CZ 3.67Å
162L83.5Confident82.8Confident61 Ų6160.1 Ų60.132%0.31934%0.335SS..Hα-helixtrans-57.7-35.4178.5-71.9172.8000112.6W116 C158 L159 H160 R164 R185 T196 F198W116-L162 HydrophobicContact CH2-CD1 4.03Å; W116-L162 HydrophobicContact CH2-CD2 4.38Å; W116-L162 HydrophobicContact CZ2-CD1 4.18Å; W116-L162 HydrophobicContact CZ3-CD2 4.2Å; C158-L162 PolarHBondContact O-N 3.41Å; C158-L162 VanDerWaalsContact O-N 3.09Å; L159-L162 HydrophobicContact CD2-CD1 3.99Å; L159-L162 WeakPolarHBondContact O-CB 3.3Å; L159-L162 PolarHBondContact O-N 3.24Å; H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.43Å; L162-R164 VanDerWaalsContact C-N 3.26Å; L162-R164 PolarHBondContact O-N 3.31Å; L162-R185 PolarHBondContact O-NH1 2.83Å; L162-T196 HydrophobicContact CD2-CG2 3.8Å; L162-F198 HydrophobicContact CD2-CE2 3.62Å; L162-F198 HydrophobicContact CD2-CZ 4.01Å; L162-F198 HydrophobicContact CG-CE2 4.05Å; L162-F198 HydrophobicContact CG-CZ 4.36Å
163G75.4Confident82.7Confident77 Ų7758.7 Ų58.779%0.79432%0.319SS*.THydrogen-bonded Turntrans-75.3-9.1179.200000114.8H160 A161H160-G163 PolarHBondContact O-N 3.14Å; A161-G163 PolarHBondContact O-N 2.81Å
164R76.9Confident82.6Confident54 Ų5456.8 Ų56.820%0.20431%0.309CS..SBendtrans-86.2154.2-176.7-60.1-176.3-177.7-172.6-4.3111.8D73 H160 A161 L162 R185D73-R164 IonicContact OD1-CZ 3.28Å; D73-R164 IonicContact OD1-NH1 3.91Å; D73-R164 IonicContact OD1-NH2 2.66Å; D73-R164 PolarHBondContact OD1-NH2 3.26Å; D73-R164 IonicContact OD2-CZ 2.76Å; D73-R164 IonicContact OD2-NH1 2.83Å; D73-R164 PolarHBondContact OD2-NH1 3.26Å; D73-R164 IonicContact OD2-NH2 3.02Å; D73-R164 PolarHBondContact OD2-NH2 3.05Å; H160-R164 PolarHBondContact CE1-NH2 2.91Å; H160-R164 PolarHBondContact ND1-NH2 3.36Å; A161-R164 WeakPolarHBondContact O-CB 3.47Å; A161-R164 PolarHBondContact O-N 3.03Å; L162-R164 VanDerWaalsContact C-N 3.26Å; L162-R164 PolarHBondContact O-N 3.31Å; R164-R185 PolarHBondContact O-NH1 3.2Å; R164-R185 PolarHBondContact O-NH2 3.44Å
165K69.3Low82.5Confident193 Ų19360.8 Ų60.884%0.83934%0.335SS*.SBendtrans-79.3-25.2173.9-71.6-173.4179.2179.40112.9R185K165-R185 VanDerWaalsContact C-NH2 3.31Å; K165-R185 PolarHBondContact O-NH2 3.17Å
166D68.8Low82.2Confident70 Ų7062.6 Ų62.637%0.37435%0.35SS..  trans-60.6136.3-177.6-60.2-17.3000111.6R69 R185R69-D166 IonicContact CZ-OD2 2.75Å; R69-D166 IonicContact NH2-OD2 3.57Å; R69-D166 PolarHBondContact NH2-OD2 2.91Å; D166-R185 VanDerWaalsContact O-CZ 3.3Å; D166-R185 PolarHBondContact O-NE 3.38Å; D166-R185 PolarHBondContact O-NH2 3.34Å
167K72Confident82Confident131 Ų13156.2 Ų56.257%0.5732%0.323SS*.  trans-110.2-23.7-177.5-67.1-175.5179.41790113.6R185K167-R185 PolarHBondContact O-N 3.07Å
168A75Confident82Confident66 Ų6655.4 Ų55.455%0.54532%0.32SS..SBendtrans-137.5159.1-174.700000111.2M170 D184A168-M170 VanDerWaalsContact C-N 3.3Å; A168-M170 PolarHBondContact O-N 3.17Å; A168-D184 WeakPolarHBondContact CA-OD1 3.44Å; A168-D184 WeakPolarHBondContact CB-OD1 3.14Å
169G69.3Low82.2Confident43 Ų4355.4 Ų55.444%0.44332%0.32SS..  trans67.329.9174.800000113.5D184G169-D184 PolarHBondContact N-OD1 2.95Å
170M82.3Confident82.3Confident11 Ų1151.4 Ų51.45%0.05430%0.299CS..EExtended strand (participates in β ladder)trans-73.9130.6175.8-53.3-165.665.200109.2A161 A168 F182 M183 R185 F198A161-M170 HydrophobicContact CB-CE 3.17Å; A161-M170 HydrophobicContact CB-SD 4.1Å; A168-M170 VanDerWaalsContact C-N 3.3Å; A168-M170 PolarHBondContact O-N 3.17Å; M170-F182 CarbonylContact O-C 3.53Å; M170-F182 WeakPolarHBondContact O-CA 3.3Å; M170-M183 HydrophobicContact CB-CB 4.29Å; M170-M183 VanDerWaalsContact CB-O 3.3Å; M170-M183 WeakPolarHBondContact CB-O 3.14Å; M170-M183 PolarHBondContact N-O 2.88Å; M170-M183 PolarHBondContact O-N 3.14Å; M170-R185 HydrophobicContact SD-CB 4.39Å; M170-F198 HydrophobicContact SD-CD1 4.37Å; M170-F198 HydrophobicContact SD-CE1 3.68Å
171V85.3Confident82.7Confident41 Ų4146.3 Ų46.325%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-106.2127.4178.9-172.20000108.7F180 L181 F182V171-F180 HydrophobicContact CG1-CB 4.38Å; V171-F180 HydrophobicContact CG1-CD1 3.88Å; V171-L181 WeakPolarHBondContact CA-O 3.19Å; V171-F182 HydrophobicContact CG1-CE1 4.33Å; V171-F182 HydrophobicContact CG2-CD1 3.72Å; V171-F182 HydrophobicContact CG2-CE1 3.56Å
172M89.2Confident82.9Confident4 Ų447.5 Ų47.52%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-120.1148.8172.2-59.6179.8-170.700108.9F149 Q157 C158 A161 F180 L181 M183 F198F149-M172 HydrophobicContact CE1-CB 4.31Å; F149-M172 HydrophobicContact CZ-CB 4.28Å; Q157-M172 HydrophobicContact CB-CB 4.48Å; Q157-M172 HydrophobicContact CB-CG 4.02Å; Q157-M172 HydrophobicContact CB-SD 4.01Å; Q157-M172 VanDerWaalsContact OE1-CB 3.25Å; C158-M172 HydrophobicContact CB-CE 4.33Å; C158-M172 VanDerWaalsContact SG-CE 3.53Å; C158-M172 VanDerWaalsContact SG-SD 3.64Å; A161-M172 HydrophobicContact CB-CE 4.38Å; M172-F180 CarbonylContact O-C 3.54Å; M172-F180 VanDerWaalsContact O-CA 3.3Å; M172-F180 WeakPolarHBondContact O-CA 2.83Å; M172-L181 HydrophobicContact CB-CB 4.35Å; M172-L181 PolarHBondContact N-O 2.97Å; M172-L181 PolarHBondContact O-N 3.46Å; M172-M183 HydrophobicContact CE-CB 4.28Å; M172-M183 HydrophobicContact CE-CG 4.11Å; M172-M183 HydrophobicContact CG-CG 4.38Å; M172-M183 HydrophobicContact SD-CG 4.02Å; M172-F198 HydrophobicContact CE-CD1 4.3Å
173N89.4Confident83.2Confident5 Ų544.6 Ų44.63%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-140.3151.7-178.664.5-75.9000112.1Y76 F149 Q157 V179 F180Y76-N173 WeakPolarHBondContact CD1-ND2 3.45Å; Y76-N173 VanDerWaalsContact CE1-CG 3.48Å; Y76-N173 VanDerWaalsContact CE1-ND2 3.34Å; Y76-N173 WeakPolarHBondContact CE1-ND2 3.11Å; Y76-N173 WeakPolarHBondContact CE1-OD1 3.26Å; F149-N173 WeakPolarHBondContact CZ-O 3.41Å; Q157-N173 PolarHBondContact NE2-O 2.81Å; Q157-N173 VanDerWaalsContact OE1-N 3.11Å; N173-V179 VanDerWaalsContact CA-O 3.24Å; N173-V179 WeakPolarHBondContact CA-O 3.43Å; N173-F180 HydrophobicContact CB-CD1 3.6Å; N173-F180 HydrophobicContact CB-CE1 3.64Å; N173-F180 HydrophobicContact CB-CG 4.19Å; N173-F180 HydrophobicContact CB-CZ 4.25Å
174N90.7Very high83.8Confident3 Ų343 Ų432%0.01624%0.238CC..  trans-73162.9174.373.1-23.2000111E148 F149 T176 Q177 S178 V179E148-N174 WeakPolarHBondContact O-CB 3.24Å; E148-N174 PolarHBondContact O-ND2 3.18Å; F149-N174 HydrophobicContact CB-CB 4.16Å; F149-N174 HydrophobicContact CD1-CB 4.07Å; F149-N174 HydrophobicContact CD2-CB 3.78Å; F149-N174 HydrophobicContact CE1-CB 4.44Å; F149-N174 HydrophobicContact CE2-CB 4.15Å; F149-N174 HydrophobicContact CG-CB 3.75Å; F149-N174 HydrophobicContact CZ-CB 4.49Å; N174-T176 PolarHBondContact ND2-OG1 3.05Å; N174-T176 PolarHBondContact O-N 2.94Å; N174-Q177 WeakPolarHBondContact O-CA 3.38Å; N174-Q177 PolarHBondContact O-N 3.06Å; N174-Q177 VanDerWaalsContact OD1-CA 3.28Å; N174-Q177 WeakPolarHBondContact OD1-CA 3.38Å; N174-Q177 PolarHBondContact OD1-N 3.04Å; N174-S178 PolarHBondContact ND2-OG 2.84Å; N174-S178 PolarHBondContact OD1-N 3.44Å; N174-V179 HydrophobicContact CB-CB 4.47Å; N174-V179 PolarHBondContact N-O 3.47Å; N174-V179 PolarHBondContact OD1-N 2.78Å; N174-V179 PolarHBondContact OD1-O 3.31Å
175P86.5Confident84.3Confident84 Ų8441.7 Ų41.755%0.54523%0.234SC..THydrogen-bonded Turntrans-58.2-33.2-177.7-28.136.2000114.3D153 Q177D153-P175 HydrophobicContact CB-CG 4.48Å; P175-Q177 PolarHBondContact O-N 3.43Å
176T85.9Confident85.1Confident100 Ų10036.3 Ų36.361%0.61321%0.211SC*.THydrogen-bonded Turntrans-83.1-0.9177.161.20000113.3N174 S178N174-T176 PolarHBondContact ND2-OG1 3.05Å; N174-T176 PolarHBondContact O-N 2.94Å; T176-S178 PolarHBondContact O-N 2.87Å; T176-S178 VanDerWaalsContact O-N 3.09Å; T176-S178 PolarHBondContact OG1-OG 3.26Å; T176-S178 VanDerWaalsContact OG1-OG 3.04Å
177Q85.8Confident85.8Confident9 Ų938.3 Ų38.34%0.04222%0.218CC..SBendtrans50.536.2-179.8-50.6169-59.900113.6Y76 S80 L84 N174 P175 F180Y76-Q177 VanDerWaalsContact CG-NE2 3.32Å; S80-Q177 PolarHBondContact O-OE1 3.39Å; L84-Q177 HydrophobicContact CD1-CB 3.55Å; L84-Q177 HydrophobicContact CD1-CG 4.01Å; L84-Q177 HydrophobicContact CD2-CB 4.34Å; L84-Q177 HydrophobicContact CG-CB 4.35Å; N174-Q177 WeakPolarHBondContact O-CA 3.38Å; N174-Q177 PolarHBondContact O-N 3.06Å; N174-Q177 VanDerWaalsContact OD1-CA 3.28Å; N174-Q177 WeakPolarHBondContact OD1-CA 3.38Å; N174-Q177 PolarHBondContact OD1-N 3.04Å; P175-Q177 PolarHBondContact O-N 3.43Å; Q177-F180 HydrophobicContact CB-CE2 4.48Å; Q177-F180 HydrophobicContact CB-CZ 4.15Å; Q177-F180 VanDerWaalsContact O-CE2 3.3Å; Q177-F180 WeakPolarHBondContact O-CE2 3.34Å
178S89.8Confident86Confident13 Ų1335.9 Ų35.99%0.09121%0.211CC..  trans-97.3-17.8174.961.20000112K146 F147 N174 T176 L205 Y206K146-S178 PolarHBondContact O-OG 3.28Å; F147-S178 WeakPolarHBondContact CD1-O 3.44Å; N174-S178 PolarHBondContact ND2-OG 2.84Å; N174-S178 PolarHBondContact OD1-N 3.44Å; T176-S178 PolarHBondContact O-N 2.87Å; T176-S178 VanDerWaalsContact O-N 3.09Å; T176-S178 PolarHBondContact OG1-OG 3.26Å; T176-S178 VanDerWaalsContact OG1-OG 3.04Å; S178-L205 WeakPolarHBondContact O-CA 3.28Å; S178-Y206 PolarHBondContact O-N 3.02Å
179V93.4Very high85.9Confident1 Ų139.4 Ų39.41%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-129.6126.1179.6-173.70000109.6F147 F149 N173 N174 L181 L203 L205F147-V179 HydrophobicContact CB-CG2 3.66Å; F147-V179 HydrophobicContact CD1-CG2 4.06Å; F147-V179 HydrophobicContact CG-CG2 4.37Å; F149-V179 HydrophobicContact CD1-CB 4.48Å; F149-V179 HydrophobicContact CD1-CG1 4.25Å; N173-V179 VanDerWaalsContact CA-O 3.24Å; N173-V179 WeakPolarHBondContact CA-O 3.43Å; N174-V179 HydrophobicContact CB-CB 4.47Å; N174-V179 PolarHBondContact N-O 3.47Å; N174-V179 PolarHBondContact OD1-N 2.78Å; N174-V179 PolarHBondContact OD1-O 3.31Å; V179-L181 HydrophobicContact CG1-CD2 4.06Å; V179-L203 HydrophobicContact CG1-CD1 3.8Å; V179-L203 HydrophobicContact CG1-CG 4.11Å; V179-L205 HydrophobicContact CB-CD2 4.48Å; V179-L205 HydrophobicContact CG1-CD2 4.33Å; V179-L205 HydrophobicContact CG2-CD2 3.93Å
180F91.2Very high86.1Confident5 Ų539.9 Ų39.92%0.02221%0.21CC..EExtended strand (participates in β ladder)trans-116.8128.3173.7-66-100.2000109.5V171 M172 N173 Q177 F182 L203 C204 Y206V171-F180 HydrophobicContact CG1-CB 4.38Å; V171-F180 HydrophobicContact CG1-CD1 3.88Å; M172-F180 CarbonylContact O-C 3.54Å; M172-F180 VanDerWaalsContact O-CA 3.3Å; M172-F180 WeakPolarHBondContact O-CA 2.83Å; N173-F180 HydrophobicContact CB-CD1 3.6Å; N173-F180 HydrophobicContact CB-CE1 3.64Å; N173-F180 HydrophobicContact CB-CG 4.19Å; N173-F180 HydrophobicContact CB-CZ 4.25Å; Q177-F180 HydrophobicContact CB-CE2 4.48Å; Q177-F180 HydrophobicContact CB-CZ 4.15Å; Q177-F180 VanDerWaalsContact O-CE2 3.3Å; Q177-F180 WeakPolarHBondContact O-CE2 3.34Å; F180-F182 HydrophobicContact CB-CE2 4.39Å; F180-L203 CarbonylContact O-C 3.47Å; F180-L203 WeakPolarHBondContact O-CA 3.26Å; F180-C204 HydrophobicContact CB-CB 4.32Å; F180-C204 PolarHBondContact N-O 3.28Å; F180-C204 PolarHBondContact O-N 3.21Å; F180-Y206 AromaticContact CD2-CD1 3.47Å; F180-Y206 HydrophobicContact CD2-CD1 3.47Å; F180-Y206 VanDerWaalsContact CD2-CD1 3.47Å; F180-Y206 HydrophobicContact CD2-CD2 4.43Å; F180-Y206 AromaticContact CD2-CE1 3.59Å; F180-Y206 HydrophobicContact CD2-CE1 3.59Å; F180-Y206 AromaticContact CD2-CG 3.92Å; F180-Y206 HydrophobicContact CD2-CG 3.92Å; F180-Y206 AromaticContact CE2-CD1 3.47Å; F180-Y206 HydrophobicContact CE2-CD1 3.47Å; F180-Y206 VanDerWaalsContact CE2-CD1 3.47Å; F180-Y206 AromaticContact CE2-CD2 3.58Å; F180-Y206 HydrophobicContact CE2-CD2 3.58Å; F180-Y206 AromaticContact CE2-CE1 3.64Å; F180-Y206 HydrophobicContact CE2-CE1 3.64Å; F180-Y206 AromaticContact CE2-CE2 3.75Å; F180-Y206 HydrophobicContact CE2-CE2 3.75Å; F180-Y206 AromaticContact CE2-CG 3.43Å; F180-Y206 HydrophobicContact CE2-CG 3.43Å; F180-Y206 VanDerWaalsContact CE2-CG 3.43Å; F180-Y206 AromaticContact CE2-CZ 3.75Å; F180-Y206 HydrophobicContact CG-CE1 4.31Å; F180-Y206 HydrophobicContact CZ-CD2 4.13Å; F180-Y206 HydrophobicContact CZ-CE1 4.38Å; F180-Y206 AromaticContact CZ-CE2 3.97Å; F180-Y206 HydrophobicContact CZ-CE2 3.97Å; F180-Y206 HydrophobicContact CZ-CG 4.4Å
181L92.5Very high85.5Confident0 Ų046.1 Ų46.10%025%0.252CS..EExtended strand (participates in β ladder)trans-105.4126.5176.8-54.8-178.8000108.8L115 I124 F149 V171 M172 V179 M183 L200 L203L115-L181 HydrophobicContact CD1-CD1 3.8Å; I124-L181 HydrophobicContact CD1-CD1 3.91Å; I124-L181 HydrophobicContact CD1-CD2 4.36Å; F149-L181 HydrophobicContact CD1-CD1 3.38Å; F149-L181 HydrophobicContact CD1-CD2 4.2Å; F149-L181 HydrophobicContact CD1-CG 3.55Å; F149-L181 HydrophobicContact CE1-CB 4.46Å; F149-L181 HydrophobicContact CE1-CD1 3.43Å; F149-L181 VanDerWaalsContact CE1-CD1 3.43Å; F149-L181 HydrophobicContact CE1-CG 3.58Å; F149-L181 HydrophobicContact CG-CD1 4.28Å; F149-L181 HydrophobicContact CZ-CD1 4.38Å; V171-L181 WeakPolarHBondContact CA-O 3.19Å; M172-L181 HydrophobicContact CB-CB 4.35Å; M172-L181 PolarHBondContact N-O 2.97Å; M172-L181 PolarHBondContact O-N 3.46Å; V179-L181 HydrophobicContact CG1-CD2 4.06Å; L181-M183 HydrophobicContact CB-CG 4.19Å; L181-M183 HydrophobicContact CB-SD 4.19Å; L181-L200 HydrophobicContact CB-CD1 3.72Å; L181-L200 HydrophobicContact CD2-CD1 3.82Å; L181-L200 HydrophobicContact CG-CD1 4.23Å; L181-L203 HydrophobicContact CD2-CD1 3.53Å; L181-L203 HydrophobicContact CD2-CG 4.11Å
182F89.3Confident84.8Confident26 Ų2653.6 Ų53.611%0.11428%0.281CS..EExtended strand (participates in β ladder)trans-97.6118.1171.9-63.7-91.6000108.6Y63 M170 V171 F180 C201 S202 C204Y63-F182 HydrophobicContact CD1-CZ 4.26Å; Y63-F182 AromaticContact CE1-CE1 3.69Å; Y63-F182 HydrophobicContact CE1-CE1 3.69Å; Y63-F182 AromaticContact CE1-CZ 3.53Å; Y63-F182 HydrophobicContact CE1-CZ 3.53Å; M170-F182 CarbonylContact O-C 3.53Å; M170-F182 WeakPolarHBondContact O-CA 3.3Å; V171-F182 HydrophobicContact CG1-CE1 4.33Å; V171-F182 HydrophobicContact CG2-CD1 3.72Å; V171-F182 HydrophobicContact CG2-CE1 3.56Å; F180-F182 HydrophobicContact CB-CE2 4.39Å; F182-C201 PolarHBondContact O-N 3.11Å; F182-S202 WeakPolarHBondContact CB-OG 3.34Å; F182-S202 VanDerWaalsContact CD2-OG 3.29Å; F182-S202 WeakPolarHBondContact CD2-OG 3.25Å; F182-S202 WeakPolarHBondContact CG-OG 3.46Å; F182-S202 PolarHBondContact N-O 3.33Å; F182-S202 PolarHBondContact O-N 3.4Å; F182-C204 HydrophobicContact CE2-CB 3.74Å
183M89Confident83.9Confident0 Ų057.3 Ų57.30%030%0.304CS..EExtended strand (participates in β ladder)trans-123.9139.9-167.4-59.7-64.3-61.900110.7L115 M170 M172 L181 F198 K199 L200L115-M183 HydrophobicContact CB-CE 3.82Å; L115-M183 HydrophobicContact CD1-CE 3.7Å; L115-M183 HydrophobicContact CD1-SD 3.66Å; L115-M183 HydrophobicContact CG-CE 3.95Å; L115-M183 HydrophobicContact CG-SD 4.44Å; M170-M183 HydrophobicContact CB-CB 4.29Å; M170-M183 VanDerWaalsContact CB-O 3.3Å; M170-M183 WeakPolarHBondContact CB-O 3.14Å; M170-M183 PolarHBondContact N-O 2.88Å; M170-M183 PolarHBondContact O-N 3.14Å; M172-M183 HydrophobicContact CE-CB 4.28Å; M172-M183 HydrophobicContact CE-CG 4.11Å; M172-M183 HydrophobicContact CG-CG 4.38Å; M172-M183 HydrophobicContact SD-CG 4.02Å; L181-M183 HydrophobicContact CB-CG 4.19Å; L181-M183 HydrophobicContact CB-SD 4.19Å; M183-F198 VanDerWaalsContact CE-C 3.44Å; M183-F198 HydrophobicContact CE-CB 3.64Å; M183-F198 WeakPolarHBondContact CE-O 3.42Å; M183-K199 CarbonylContact C-O 3.44Å; M183-K199 VanDerWaalsContact CA-O 3.29Å; M183-K199 WeakPolarHBondContact CA-O 3.47Å; M183-L200 HydrophobicContact CE-CB 4.27Å; M183-L200 WeakPolarHBondContact SD-CA 3.34Å; M183-L200 HydrophobicContact SD-CB 3.67Å; M183-L200 HydrophobicContact SD-CD1 3.51Å; M183-L200 VanDerWaalsContact SD-CD1 3.51Å; M183-L200 HydrophobicContact SD-CG 4.21Å
184D87.5Confident83.3Confident43 Ų4365.1 Ų65.123%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-110.5138.3168.4-75.7-5.9000110.2A168 G169 F198 K199A168-D184 WeakPolarHBondContact CA-OD1 3.44Å; A168-D184 WeakPolarHBondContact CB-OD1 3.14Å; G169-D184 PolarHBondContact N-OD1 2.95Å; D184-F198 WeakPolarHBondContact O-CA 3.42Å; D184-K199 PolarHBondContact N-O 3.22Å; D184-K199 PolarHBondContact O-N 2.96Å
185R88.4Confident83Confident28 Ų2866.8 Ų66.811%0.10635%0.352CS..EExtended strand (participates in β ladder)trans-91.5114.8171.8-175.5177.561.6173.9-6.4108.9L162 R164 K165 D166 K167 M170 T196 V197 F198L162-R185 PolarHBondContact O-NH1 2.83Å; R164-R185 PolarHBondContact O-NH1 3.2Å; R164-R185 PolarHBondContact O-NH2 3.44Å; K165-R185 VanDerWaalsContact C-NH2 3.31Å; K165-R185 PolarHBondContact O-NH2 3.17Å; D166-R185 VanDerWaalsContact O-CZ 3.3Å; D166-R185 PolarHBondContact O-NE 3.38Å; D166-R185 PolarHBondContact O-NH2 3.34Å; K167-R185 PolarHBondContact O-N 3.07Å; M170-R185 HydrophobicContact SD-CB 4.39Å; R185-T196 HydrophobicContact CG-CG2 3.49Å; R185-T196 VanDerWaalsContact CG-CG2 3.49Å; R185-V197 WeakPolarHBondContact CA-O 3.48Å; R185-F198 HydrophobicContact CB-CD1 3.99Å; R185-F198 HydrophobicContact CB-CE1 3.71Å; R185-F198 HydrophobicContact CB-CZ 4.44Å; R185-F198 HydrophobicContact CG-CD1 4.38Å; R185-F198 HydrophobicContact CG-CE1 3.92Å; R185-F198 HydrophobicContact CG-CZ 4.16Å
186Q86.2Confident83Confident80 Ų8064.5 Ų64.537%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-114.6152.5176.9-57.7-173.8-6.900110.5T196 V197Q186-T196 CarbonylContact O-C 3.6Å; Q186-T196 WeakPolarHBondContact O-CA 3.38Å; Q186-V197 HydrophobicContact CB-CG2 3.85Å; Q186-V197 PolarHBondContact N-O 3.33Å; Q186-V197 PolarHBondContact O-N 2.98Å
187H82.5Confident83.2Confident111 Ų11160.2 Ų60.251%0.51431%0.311SS..EExtended strand (participates in β ladder)trans-104.3108.5170-66.6-63.4000108.2Q189 A195 T196H187-Q189 PolarHBondContact O-N 3.2Å; H187-A195 CarbonylContact C-O 3.58Å; H187-A195 WeakPolarHBondContact CA-O 3.25Å; H187-T196 PolarHBondContact CE1-OG1 3.27Å; H187-T196 VanDerWaalsContact CE1-OG1 3.3Å; H187-T196 PolarHBondContact ND1-OG1 3.15Å
188L77.9Confident83.5Confident81 Ų8159.8 Ų59.842%0.42431%0.309SS..EExtended strand (participates in β ladder)trans-81.2107.5174.4-146.7125.4000107.4T190 A195 V197L188-T190 HydrophobicContact CD2-CG2 3.9Å; L188-A195 PolarHBondContact N-O 3.19Å; L188-A195 PolarHBondContact O-N 2.78Å; L188-V197 HydrophobicContact CB-CG1 4.28Å; L188-V197 HydrophobicContact CD1-CG2 4.4Å
189Q72Confident83.6Confident140 Ų14061 Ų6165%0.65431%0.312SS*.EExtended strand (participates in β ladder)trans-107.6105.1179.3-173.4167.7-5.100109.1H187 K194H187-Q189 PolarHBondContact O-N 3.2Å; Q189-K194 HydrophobicContact CG-CG 3.98Å
190T72.9Confident83.5Confident52 Ų5260.9 Ų60.932%0.31931%0.312SS..  trans-100166.4166.580.90000109.1L188 K192 T193L188-T190 HydrophobicContact CD2-CG2 3.9Å; T190-K192 PolarHBondContact O-N 3.27Å; T190-K192 PolarHBondContact OG1-N 3.37Å; T190-T193 PolarHBondContact N-O 3.07Å; T190-T193 PolarHBondContact O-N 2.91Å; T190-T193 PolarHBondContact OG1-N 2.86Å; T190-T193 PolarHBondContact OG1-OG1 3.04Å
191P71.2Confident83.3Confident143 Ų14362.3 Ų62.393%0.92932%0.322SS*.SBendtrans-56.3-20.4174.2-24.834.2000114
192K69.1Low83.1Confident198 Ų19863.5 Ų63.586%0.86133%0.33SS*.SBendtrans-111.8-18.8-175.5-66.1-175.7177.6-179.60114.2T190T190-K192 PolarHBondContact O-N 3.27Å; T190-K192 PolarHBondContact OG1-N 3.37Å
193T70.8Confident83.2Confident81 Ų8162.3 Ų62.350%0.49733%0.325SS..  trans-144.9135.8-173.234.30000112.3T190T190-T193 PolarHBondContact N-O 3.07Å; T190-T193 PolarHBondContact O-N 2.91Å; T190-T193 PolarHBondContact OG1-N 2.86Å; T190-T193 PolarHBondContact OG1-OG1 3.04Å
194K77.2Confident83.3Confident169 Ų16962.3 Ų62.374%0.73533%0.325SS*.EExtended strand (participates in β ladder)trans-108110.5161-74.3179.3177.7179.40107.2Q189Q189-K194 HydrophobicContact CG-CG 3.98Å
195A83.7Confident83.6Confident39 Ų3960.2 Ų60.232%0.32231%0.314SS..EExtended strand (participates in β ladder)trans-123.7135.7177.900000110H187 L188H187-A195 CarbonylContact C-O 3.58Å; H187-A195 WeakPolarHBondContact CA-O 3.25Å; L188-A195 PolarHBondContact N-O 3.19Å; L188-A195 PolarHBondContact O-N 2.78Å
196T87Confident83.6Confident36 Ų3659.4 Ų59.422%0.22131%0.311CS..EExtended strand (participates in β ladder)trans-78.5134.3165.9-58.40000108.1W116 L162 R185 Q186 H187W116-T196 WeakPolarHBondContact CZ3-O 3.36Å; L162-T196 HydrophobicContact CD2-CG2 3.8Å; R185-T196 HydrophobicContact CG-CG2 3.49Å; R185-T196 VanDerWaalsContact CG-CG2 3.49Å; Q186-T196 CarbonylContact O-C 3.6Å; Q186-T196 WeakPolarHBondContact O-CA 3.38Å; H187-T196 PolarHBondContact CE1-OG1 3.27Å; H187-T196 VanDerWaalsContact CE1-OG1 3.3Å; H187-T196 PolarHBondContact ND1-OG1 3.15Å
197V90.8Very high83.8Confident10 Ų1055.6 Ų55.66%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-127.6145.4175.6-60.50000109.5I114 W116 R185 Q186 L188I114-V197 HydrophobicContact CG2-CB 4.24Å; W116-V197 WeakPolarHBondContact O-CA 3.47Å; R185-V197 WeakPolarHBondContact CA-O 3.48Å; Q186-V197 HydrophobicContact CB-CG2 3.85Å; Q186-V197 PolarHBondContact N-O 3.33Å; Q186-V197 PolarHBondContact O-N 2.98Å; L188-V197 HydrophobicContact CB-CG1 4.28Å; L188-V197 HydrophobicContact CD1-CG2 4.4Å
198F91.2Very high83.9Confident0 Ų051.5 Ų51.50%028%0.276CS..EExtended strand (participates in β ladder)trans-106.6118.6168.9-69.8-84.4000108.7L115 W116 C158 A161 L162 M170 M172 M183 D184 R185L115-F198 PolarHBondContact N-O 3.45Å; W116-F198 HydrophobicContact CB-CB 4.11Å; W116-F198 HydrophobicContact CB-CD2 3.96Å; W116-F198 HydrophobicContact CD2-CD2 4.16Å; W116-F198 AromaticContact CE3-CD2 3.87Å; W116-F198 HydrophobicContact CE3-CD2 3.87Å; W116-F198 HydrophobicContact CE3-CE2 4.23Å; W116-F198 HydrophobicContact CG-CD2 4.21Å; W116-F198 PolarHBondContact N-O 2.8Å; W116-F198 PolarHBondContact O-N 3.49Å; C158-F198 HydrophobicContact CB-CD2 3.97Å; C158-F198 HydrophobicContact CB-CE2 4.06Å; C158-F198 WeakPolarHBondContact O-CE2 3.39Å; A161-F198 HydrophobicContact CB-CE1 3.84Å; A161-F198 HydrophobicContact CB-CZ 3.67Å; L162-F198 HydrophobicContact CD2-CE2 3.62Å; L162-F198 HydrophobicContact CD2-CZ 4.01Å; L162-F198 HydrophobicContact CG-CE2 4.05Å; L162-F198 HydrophobicContact CG-CZ 4.36Å; M170-F198 HydrophobicContact SD-CD1 4.37Å; M170-F198 HydrophobicContact SD-CE1 3.68Å; M172-F198 HydrophobicContact CE-CD1 4.3Å; M183-F198 VanDerWaalsContact CE-C 3.44Å; M183-F198 HydrophobicContact CE-CB 3.64Å; M183-F198 WeakPolarHBondContact CE-O 3.42Å; D184-F198 WeakPolarHBondContact O-CA 3.42Å; R185-F198 HydrophobicContact CB-CD1 3.99Å; R185-F198 HydrophobicContact CB-CE1 3.71Å; R185-F198 HydrophobicContact CB-CZ 4.44Å; R185-F198 HydrophobicContact CG-CD1 4.38Å; R185-F198 HydrophobicContact CG-CE1 3.92Å; R185-F198 HydrophobicContact CG-CZ 4.16Å
199K91.5Very high84.1Confident37 Ų3748 Ų4816%0.16126%0.257CS..EExtended strand (participates in β ladder)trans-108128.1-177.1173.1-177.3155.6159.10109.8D112 M183 D184 C201D112-K199 WeakPolarHBondContact OD1-CD 3.32Å; D112-K199 WeakPolarHBondContact OD1-CE 3.45Å; D112-K199 WeakPolarHBondContact OD1-CG 3.3Å; D112-K199 IonicContact OD1-NZ 2.88Å; D112-K199 PolarHBondContact OD1-NZ 3.39Å; D112-K199 WeakPolarHBondContact OD2-CE 3.24Å; D112-K199 IonicContact OD2-NZ 3.53Å; D112-K199 PolarHBondContact OD2-NZ 3.42Å; M183-K199 CarbonylContact C-O 3.44Å; M183-K199 VanDerWaalsContact CA-O 3.29Å; M183-K199 WeakPolarHBondContact CA-O 3.47Å; D184-K199 PolarHBondContact N-O 3.22Å; D184-K199 PolarHBondContact O-N 2.96Å; K199-C201 PolarHBondContact O-SG 3.07Å; K199-C201 VanDerWaalsContact O-SG 3.4Å
200L91.5Very high84.5Confident0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-75.3120.6174.1-178.268.6000109.6F38 M111 D112 F113 L115 L181 M183 S202F38-L200 HydrophobicContact CE1-CD2 4.12Å; F38-L200 HydrophobicContact CZ-CD2 3.88Å; M111-L200 CarbonylContact C-O 3.53Å; M111-L200 VanDerWaalsContact C-O 3.22Å; M111-L200 HydrophobicContact CG-CD2 4.11Å; M111-L200 HydrophobicContact CG-CG 4.04Å; M111-L200 HydrophobicContact SD-CD1 4.33Å; M111-L200 HydrophobicContact SD-CD2 3.38Å; M111-L200 WeakPolarHBondContact SD-CD2 3.48Å; M111-L200 HydrophobicContact SD-CG 3.48Å; M111-L200 WeakPolarHBondContact SD-CG 3.04Å; D112-L200 PolarHBondContact N-O 3.32Å; F113-L200 HydrophobicContact CB-CB 4.27Å; F113-L200 PolarHBondContact N-O 3.05Å; F113-L200 VanDerWaalsContact O-CB 3.31Å; F113-L200 WeakPolarHBondContact O-CB 3.48Å; F113-L200 PolarHBondContact O-N 2.88Å; L115-L200 HydrophobicContact CD1-CB 4.2Å; L115-L200 HydrophobicContact CD1-CD1 4.49Å; L115-L200 HydrophobicContact CG-CB 4.26Å; L181-L200 HydrophobicContact CB-CD1 3.72Å; L181-L200 HydrophobicContact CD2-CD1 3.82Å; L181-L200 HydrophobicContact CG-CD1 4.23Å; M183-L200 HydrophobicContact CE-CB 4.27Å; M183-L200 WeakPolarHBondContact SD-CA 3.34Å; M183-L200 HydrophobicContact SD-CB 3.67Å; M183-L200 HydrophobicContact SD-CD1 3.51Å; M183-L200 VanDerWaalsContact SD-CD1 3.51Å; M183-L200 HydrophobicContact SD-CG 4.21Å; L200-S202 WeakPolarHBondContact CD1-O 3.15Å
201C87.7Confident85.1Confident35 Ų3546.1 Ų46.124%0.23625%0.248CC..EExtended strand (participates in β ladder)trans-107.5-29.6-175.2-58.40000112.6M111 F182 K199M111-C201 WeakPolarHBondContact CB-O 3.18Å; M111-C201 WeakPolarHBondContact O-CA 3.44Å; F182-C201 PolarHBondContact O-N 3.11Å; K199-C201 PolarHBondContact O-SG 3.07Å; K199-C201 VanDerWaalsContact O-SG 3.4Å
202S87.9Confident85.8Confident25 Ų2539.3 Ų39.318%0.17520%0.204CC..EExtended strand (participates in β ladder)trans-162.8167.3168.163.80000110.6F182 L200F182-S202 WeakPolarHBondContact CB-OG 3.34Å; F182-S202 VanDerWaalsContact CD2-OG 3.29Å; F182-S202 WeakPolarHBondContact CD2-OG 3.25Å; F182-S202 WeakPolarHBondContact CG-OG 3.46Å; F182-S202 PolarHBondContact N-O 3.33Å; F182-S202 PolarHBondContact O-N 3.4Å; L200-S202 WeakPolarHBondContact CD1-O 3.15Å
203L91.6Very high86.3Confident0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-128.9147.8176.1178.9147.7000109.9A94 M111 C126 V179 F180 L181 L205A94-L203 PolarHBondContact N-O 2.94Å; A94-L203 PolarHBondContact O-N 2.73Å; M111-L203 HydrophobicContact CE-CB 4.33Å; M111-L203 HydrophobicContact SD-CB 4.32Å; C126-L203 WeakPolarHBondContact SG-CD1 3.47Å; V179-L203 HydrophobicContact CG1-CD1 3.8Å; V179-L203 HydrophobicContact CG1-CG 4.11Å; F180-L203 CarbonylContact O-C 3.47Å; F180-L203 WeakPolarHBondContact O-CA 3.26Å; L181-L203 HydrophobicContact CD2-CD1 3.53Å; L181-L203 HydrophobicContact CD2-CG 4.11Å; L203-L205 HydrophobicContact CD2-CD2 3.53Å; L203-L205 HydrophobicContact CD2-CG 3.83Å
204C90.9Very high87.1Confident0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-130.8132.3172.4-177.20000110.7L92 H93 F180 F182L92-C204 WeakPolarHBondContact O-CA 3.11Å; H93-C204 PolarHBondContact NE2-SG 3.34Å; F180-C204 HydrophobicContact CB-CB 4.32Å; F180-C204 PolarHBondContact N-O 3.28Å; F180-C204 PolarHBondContact O-N 3.21Å; F182-C204 HydrophobicContact CE2-CB 3.74Å
205L92.9Very high87.8Confident0 Ų023 Ų230%013%0.13CC..EExtended strand (participates in β ladder)trans-99.4131.9173.4-55.8-177.9000110.2I34 Q91 L92 C126 L128 F147 S178 V179 L203I34-L205 HydrophobicContact CD1-CD1 3.86Å; I34-L205 HydrophobicContact CD1-CG 4.49Å; I34-L205 HydrophobicContact CG1-CD1 4.32Å; I34-L205 HydrophobicContact CG2-CD1 4.34Å; Q91-L205 CarbonylContact C-O 3.57Å; Q91-L205 WeakPolarHBondContact CA-O 3.39Å; L92-L205 HydrophobicContact CB-CB 4.23Å; L92-L205 PolarHBondContact N-O 2.73Å; L92-L205 PolarHBondContact O-N 3.01Å; C126-L205 HydrophobicContact CB-CD1 4.03Å; C126-L205 HydrophobicContact CB-CD2 3.78Å; C126-L205 HydrophobicContact CB-CG 4.48Å; L128-L205 HydrophobicContact CB-CD1 4.33Å; F147-L205 HydrophobicContact CB-CD2 3.97Å; F147-L205 HydrophobicContact CD1-CB 4.15Å; F147-L205 HydrophobicContact CD1-CD1 4.35Å; F147-L205 HydrophobicContact CD1-CD2 3.68Å; F147-L205 HydrophobicContact CD1-CG 4.29Å; F147-L205 HydrophobicContact CD2-CD1 4.06Å; F147-L205 HydrophobicContact CE1-CB 3.87Å; F147-L205 HydrophobicContact CE1-CD1 4.45Å; F147-L205 HydrophobicContact CE1-CD2 4.27Å; F147-L205 HydrophobicContact CE1-CG 4.44Å; F147-L205 HydrophobicContact CE2-CD1 4.17Å; F147-L205 HydrophobicContact CG-CD1 4.13Å; F147-L205 HydrophobicContact CG-CD2 3.84Å; F147-L205 HydrophobicContact CG-CG 4.47Å; F147-L205 HydrophobicContact CZ-CB 4.23Å; F147-L205 HydrophobicContact CZ-CD1 4.34Å; S178-L205 WeakPolarHBondContact O-CA 3.28Å; V179-L205 HydrophobicContact CB-CD2 4.48Å; V179-L205 HydrophobicContact CG1-CD2 4.33Å; V179-L205 HydrophobicContact CG2-CD2 3.93Å; L203-L205 HydrophobicContact CD2-CD2 3.53Å; L203-L205 HydrophobicContact CD2-CG 3.83Å
206Y89.6Confident88.2Confident10 Ų1022 Ų224%0.03912%0.124CC..EExtended strand (participates in β ladder)trans-101.3116.7173.8-86.741.2000108.7Y63 I67 V89 Q91 S178 F180Y63-Y206 WeakPolarHBondContact CB-OH 3.47Å; I67-Y206 HydrophobicContact CD1-CE2 3.99Å; V89-Y206 HydrophobicContact CG1-CD2 3.82Å; V89-Y206 HydrophobicContact CG1-CG 3.92Å; Q91-Y206 HydrophobicContact CB-CD1 4.44Å; Q91-Y206 HydrophobicContact CB-CE1 4.22Å; Q91-Y206 HydrophobicContact CG-CD1 3.89Å; Q91-Y206 HydrophobicContact CG-CE1 3.53Å; Q91-Y206 HydrophobicContact CG-CE2 4.38Å; Q91-Y206 HydrophobicContact CG-CG 4.47Å; Q91-Y206 PolarHBondContact NE2-OH 3.42Å; S178-Y206 PolarHBondContact O-N 3.02Å; F180-Y206 AromaticContact CD2-CD1 3.47Å; F180-Y206 HydrophobicContact CD2-CD1 3.47Å; F180-Y206 VanDerWaalsContact CD2-CD1 3.47Å; F180-Y206 HydrophobicContact CD2-CD2 4.43Å; F180-Y206 AromaticContact CD2-CE1 3.59Å; F180-Y206 HydrophobicContact CD2-CE1 3.59Å; F180-Y206 AromaticContact CD2-CG 3.92Å; F180-Y206 HydrophobicContact CD2-CG 3.92Å; F180-Y206 AromaticContact CE2-CD1 3.47Å; F180-Y206 HydrophobicContact CE2-CD1 3.47Å; F180-Y206 VanDerWaalsContact CE2-CD1 3.47Å; F180-Y206 AromaticContact CE2-CD2 3.58Å; F180-Y206 HydrophobicContact CE2-CD2 3.58Å; F180-Y206 AromaticContact CE2-CE1 3.64Å; F180-Y206 HydrophobicContact CE2-CE1 3.64Å; F180-Y206 AromaticContact CE2-CE2 3.75Å; F180-Y206 HydrophobicContact CE2-CE2 3.75Å; F180-Y206 AromaticContact CE2-CG 3.43Å; F180-Y206 HydrophobicContact CE2-CG 3.43Å; F180-Y206 VanDerWaalsContact CE2-CG 3.43Å; F180-Y206 AromaticContact CE2-CZ 3.75Å; F180-Y206 HydrophobicContact CG-CE1 4.31Å; F180-Y206 HydrophobicContact CZ-CD2 4.13Å; F180-Y206 HydrophobicContact CZ-CE1 4.38Å; F180-Y206 AromaticContact CZ-CE2 3.97Å; F180-Y206 HydrophobicContact CZ-CE2 3.97Å; F180-Y206 HydrophobicContact CZ-CG 4.4Å
207L89.2Confident88.3Confident0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-125.7124.2-179.2-177.975.5000110.3V89 V90 L128 V143 A145 F147 Q209 Q211 L212V89-L207 CarbonylContact C-O 3.6Å; V89-L207 WeakPolarHBondContact CA-O 3.39Å; V90-L207 HydrophobicContact CG1-CB 3.88Å; V90-L207 HydrophobicContact CG1-CD2 4.27Å; V90-L207 HydrophobicContact CG1-CG 4.45Å; V90-L207 WeakPolarHBondContact CG1-O 3.44Å; V90-L207 PolarHBondContact N-O 3.22Å; V90-L207 PolarHBondContact O-N 3.5Å; L128-L207 HydrophobicContact CD2-CD2 3.79Å; V143-L207 HydrophobicContact CG1-CD1 4.06Å; V143-L207 HydrophobicContact CG1-CD2 3.97Å; A145-L207 HydrophobicContact CB-CD1 3.44Å; A145-L207 VanDerWaalsContact CB-CD1 3.44Å; F147-L207 HydrophobicContact CZ-CB 4.29Å; F147-L207 HydrophobicContact CZ-CD1 3.89Å; L207-Q209 PolarHBondContact O-N 3.39Å; L207-Q211 HydrophobicContact CD1-CB 3.72Å; L207-Q211 HydrophobicContact CD1-CG 4.5Å; L207-Q211 HydrophobicContact CG-CB 4.16Å; L207-L212 HydrophobicContact CD2-CD2 3.47Å; L207-L212 VanDerWaalsContact CD2-CD2 3.47Å; L207-L212 HydrophobicContact CD2-CG 3.86Å
208P86.1Confident88.1Confident25 Ų2527.9 Ų27.916%0.16217%0.165CC..EExtended strand (participates in β ladder)trans-56.7131167.5-25.536.3000111.1D210 Q211P208-D210 WeakPolarHBondContact CB-OD1 3.44Å; P208-D210 PolarHBondContact O-N 3.23Å; P208-D210 VanDerWaalsContact O-N 3.15Å; P208-Q211 HydrophobicContact CB-CG 4.28Å; P208-Q211 WeakPolarHBondContact O-CB 3.33Å; P208-Q211 PolarHBondContact O-N 3.37Å
209Q80.9Confident88Confident7 Ų731 Ų313%0.03318%0.182CC..G310 helixtrans-63.6-25.5-171.4-76.5-17664.200114.3L19 L26 D88 V90 L207 Q211 L212L19-Q209 HydrophobicContact CD1-CB 4.07Å; L19-Q209 HydrophobicContact CD2-CB 3.63Å; L19-Q209 HydrophobicContact CD2-CG 4.32Å; L19-Q209 VanDerWaalsContact CD2-OE1 3.28Å; L19-Q209 HydrophobicContact CG-CB 4.49Å; L26-Q209 HydrophobicContact CB-CB 4.5Å; D88-Q209 WeakPolarHBondContact O-CB 3.45Å; D88-Q209 WeakPolarHBondContact O-CG 3.34Å; D88-Q209 PolarHBondContact O-N 3.48Å; V90-Q209 HydrophobicContact CB-CG 4.24Å; L207-Q209 PolarHBondContact O-N 3.39Å; Q209-Q211 PolarHBondContact O-N 3.37Å; Q209-L212 HydrophobicContact CB-CD1 4.21Å; Q209-L212 HydrophobicContact CG-CD1 4.15Å; Q209-L212 VanDerWaalsContact O-CB 3.26Å; Q209-L212 WeakPolarHBondContact O-CB 3.49Å; Q209-L212 PolarHBondContact O-N 3.38Å; Q209-L212 VanDerWaalsContact O-N 3.17Å
210D80.8Confident88.1Confident91 Ų9130.7 Ų30.749%0.48718%0.181SC..G310 helixtrans-63.3-29.8174.664.2-37.9000112.4L19 P208 L212 T213L19-D210 HydrophobicContact CD1-CB 4.43Å; P208-D210 WeakPolarHBondContact CB-OD1 3.44Å; P208-D210 PolarHBondContact O-N 3.23Å; P208-D210 VanDerWaalsContact O-N 3.15Å; D210-L212 VanDerWaalsContact C-N 3.3Å; D210-L212 PolarHBondContact O-N 3.03Å; D210-T213 PolarHBondContact O-N 2.6Å; D210-T213 PolarHBondContact O-OG1 2.96Å
211Q86.5Confident88.1Confident62 Ų6236.5 Ų36.529%0.2921%0.208SC..G310 helixtrans-72.2-18.7175.8-62.7-173.2200113.5L207 P208 Q209 T213 C214L207-Q211 HydrophobicContact CD1-CB 3.72Å; L207-Q211 HydrophobicContact CD1-CG 4.5Å; L207-Q211 HydrophobicContact CG-CB 4.16Å; P208-Q211 HydrophobicContact CB-CG 4.28Å; P208-Q211 WeakPolarHBondContact O-CB 3.33Å; P208-Q211 PolarHBondContact O-N 3.37Å; Q209-Q211 PolarHBondContact O-N 3.37Å; Q211-T213 PolarHBondContact O-N 2.95Å; Q211-C214 WeakPolarHBondContact O-CB 3.42Å; Q211-C214 PolarHBondContact O-N 3.41Å
212L83.9Confident88.2Confident0 Ų037.9 Ų37.90%021%0.214CC..G310 helixtrans-58.1-23.2172.9-70.5169.8000112.7L26 A27 F30 F32 V90 L207 Q209 D210L26-L212 HydrophobicContact CB-CD1 3.71Å; A27-L212 HydrophobicContact CB-CD1 4.28Å; F30-L212 HydrophobicContact CD2-CB 4.15Å; F30-L212 HydrophobicContact CD2-CD1 4.47Å; F30-L212 HydrophobicContact CE2-CB 3.89Å; F30-L212 HydrophobicContact CZ-CB 4.46Å; F32-L212 HydrophobicContact CE1-CD2 3.33Å; F32-L212 HydrophobicContact CZ-CD2 3.48Å; F32-L212 VanDerWaalsContact CZ-CD2 3.48Å; V90-L212 HydrophobicContact CG1-CD1 4.03Å; V90-L212 HydrophobicContact CG1-CD2 4.18Å; V90-L212 HydrophobicContact CG1-CG 4.26Å; L207-L212 HydrophobicContact CD2-CD2 3.47Å; L207-L212 VanDerWaalsContact CD2-CD2 3.47Å; L207-L212 HydrophobicContact CD2-CG 3.86Å; Q209-L212 HydrophobicContact CB-CD1 4.21Å; Q209-L212 HydrophobicContact CG-CD1 4.15Å; Q209-L212 VanDerWaalsContact O-CB 3.26Å; Q209-L212 WeakPolarHBondContact O-CB 3.49Å; Q209-L212 PolarHBondContact O-N 3.38Å; Q209-L212 VanDerWaalsContact O-N 3.17Å; D210-L212 VanDerWaalsContact C-N 3.3Å; D210-L212 PolarHBondContact O-N 3.03Å
213T80.1Confident88.5Confident10 Ų1039.4 Ų39.46%0.06122%0.218CC..G310 helixtrans-94.92.8178.8700000114R12 R16 L26 F30 D210 Q211R12-T213 HydrophobicContact CG-CG2 4.09Å; R16-T213 PolarHBondContact NE-OG1 3.3Å; R16-T213 VanDerWaalsContact NE-OG1 3.14Å; R16-T213 PolarHBondContact NH2-OG1 3.37Å; L26-T213 HydrophobicContact CD1-CG2 4.01Å; F30-T213 HydrophobicContact CZ-CG2 4.21Å; D210-T213 PolarHBondContact O-N 2.6Å; D210-T213 PolarHBondContact O-OG1 2.96Å; Q211-T213 PolarHBondContact O-N 2.95Å
214C88.6Confident88.5Confident41 Ų4139.7 Ų39.728%0.27722%0.219SC..  trans-109.490.9-174-64.50000109.7Q144 Q211Q144-C214 HydrophobicContact CB-CB 4.44Å; Q144-C214 PolarHBondContact N-O 2.81Å; Q211-C214 WeakPolarHBondContact O-CB 3.42Å; Q211-C214 PolarHBondContact O-N 3.41Å
215W92.3Very high88.4Confident56 Ų5646.7 Ų46.721%0.21225%0.246CC..BIsolated β-bridgetrans-92.7138.6177.8-64.9-42.8000113F30 S130 W132 R141 P142 Q144F30-W215 AromaticContact CD1-CZ2 3.85Å; F30-W215 HydrophobicContact CD1-CZ2 3.85Å; F30-W215 HydrophobicContact CE1-CH2 4.11Å; F30-W215 AromaticContact CE1-CZ2 3.56Å; F30-W215 HydrophobicContact CE1-CZ2 3.56Å; S130-W215 PolarHBondContact OG-NE1 3.35Å; W132-W215 AromaticContact CD1-CH2 3.47Å; W132-W215 VanDerWaalsContact CD1-CH2 3.47Å; W132-W215 HydrophobicContact CD2-CH2 4.21Å; W132-W215 AromaticContact CE2-CH2 3.73Å; W132-W215 HydrophobicContact CG-CH2 4.04Å; W132-W215 HydrophobicContact CZ2-CH2 4.39Å; W132-W215 AromaticContact NE1-CH2 3.24Å; W132-W215 AromaticContact NE1-CZ3 3.63Å; R141-W215 HydrophobicContact CB-CB 3.94Å; R141-W215 HydrophobicContact CB-CD2 4.3Å; R141-W215 HydrophobicContact CB-CG 3.84Å; P142-W215 CarbonylContact O-C 3.49Å; P142-W215 VanDerWaalsContact O-CA 3.3Å; P142-W215 WeakPolarHBondContact O-CA 3.47Å; Q144-W215 PolarHBondContact NE2-O 2.88Å
216G90.2Very high88.3Confident18 Ų1851.2 Ų51.219%0.18628%0.275CS..  trans-77.8-179.6169.500000112.4P142P142-G216 PolarHBondContact O-N 3.43Å
217V89.8Confident88.3Confident139 Ų13952.6 Ų52.684%0.84228%0.281SS*.SBendtrans-96.9148175.9-174.80000108.8H223V217-H223 PolarHBondContact O-CE1 3.27Å
218G87.8Confident87.9Confident29 Ų2956.5 Ų56.530%0.29930%0.3SS..SBendtrans101166.6179.400000112.7P142 D222P142-G218 VanDerWaalsContact CD-O 3.3Å; P142-G218 WeakPolarHBondContact CD-O 3.42Å; G218-D222 WeakPolarHBondContact CA-OD2 3.44Å
219D89.2Confident86.9Confident66 Ų6656.9 Ų56.935%0.35330%0.302SS..  trans-100.4-175.3178.565.227.4000112E221 D222 H223D219-E221 VanDerWaalsContact C-N 3.34Å; D219-E221 WeakPolarHBondContact OD1-CA 3.43Å; D219-E221 WeakPolarHBondContact OD1-CB 3.36Å; D219-E221 PolarHBondContact OD1-N 2.9Å; D219-D222 PolarHBondContact N-OD2 2.86Å; D219-D222 PolarHBondContact OD1-N 3.39Å; D219-H223 PolarHBondContact O-ND1 3.16Å
220I92.1Very high85.8Confident30 Ų3064.7 Ų64.715%0.15434%0.344CS..Hα-helixtrans-60.1-45.2177.4-71.2165.9000110.7K33 Y35 F129 F140 D222 H223 L224K33-I220 HydrophobicContact CD-CD1 3.79Å; Y35-I220 HydrophobicContact CD2-CG2 4.43Å; Y35-I220 HydrophobicContact CE2-CD1 4.36Å; Y35-I220 HydrophobicContact CE2-CG1 4.46Å; Y35-I220 HydrophobicContact CE2-CG2 3.6Å; F129-I220 HydrophobicContact CD1-CG1 3.67Å; F129-I220 HydrophobicContact CD2-CG1 4.26Å; F129-I220 HydrophobicContact CE1-CB 4.28Å; F129-I220 HydrophobicContact CE1-CG1 3.82Å; F129-I220 HydrophobicContact CE2-CG1 4.38Å; F129-I220 HydrophobicContact CG-CG1 3.93Å; F129-I220 HydrophobicContact CZ-CB 4.43Å; F129-I220 HydrophobicContact CZ-CG1 4.18Å; F140-I220 HydrophobicContact CB-CD1 3.68Å; F140-I220 HydrophobicContact CB-CG1 4.18Å; F140-I220 HydrophobicContact CD2-CD1 4.48Å; F140-I220 HydrophobicContact CG-CD1 4.33Å; I220-D222 PolarHBondContact O-N 2.88Å; I220-H223 PolarHBondContact O-N 3.4Å; I220-L224 HydrophobicContact CG2-CD1 3.44Å; I220-L224 VanDerWaalsContact CG2-CD1 3.44Å; I220-L224 HydrophobicContact CG2-CG 3.79Å; I220-L224 VanDerWaalsContact O-CG 3.29Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.36Å
221E91.2Very high86.1Confident122 Ų12263.4 Ų63.457%0.5734%0.337SS*.Hα-helixtrans-62.9-43.5-174.5-64.9-172.6178.900111.4D219 H223 L224 R225D219-E221 VanDerWaalsContact C-N 3.34Å; D219-E221 WeakPolarHBondContact OD1-CA 3.43Å; D219-E221 WeakPolarHBondContact OD1-CB 3.36Å; D219-E221 PolarHBondContact OD1-N 2.9Å; E221-H223 PolarHBondContact O-N 3.03Å; E221-L224 PolarHBondContact O-N 3.07Å; E221-L224 VanDerWaalsContact O-N 3.13Å; E221-R225 VanDerWaalsContact O-CG 3.29Å; E221-R225 WeakPolarHBondContact O-CG 3.49Å; E221-R225 PolarHBondContact O-N 3.34Å
222D91.7Very high86Confident65 Ų6563.5 Ų63.535%0.34834%0.34SS..Hα-helixtrans-53.8-39177.3-70.4-34.6000112.2G218 D219 I220 R225G218-D222 WeakPolarHBondContact CA-OD2 3.44Å; D219-D222 PolarHBondContact N-OD2 2.86Å; D219-D222 PolarHBondContact OD1-N 3.39Å; I220-D222 PolarHBondContact O-N 2.88Å; D222-R225 IonicContact OD1-CZ 3.58Å; D222-R225 VanDerWaalsContact OD1-CZ 3.28Å; D222-R225 IonicContact OD1-NH1 3.38Å; D222-R225 PolarHBondContact OD1-NH1 2.97Å; D222-R225 IonicContact OD1-NH2 2.76Å; D222-R225 PolarHBondContact OD1-NH2 3Å
223H92.4Very high86.2Confident57 Ų5767 Ų6726%0.26436%0.359SS..Hα-helixtrans-86.5-24.8-178.1-6876.7000113.2F129 V217 D219 I220 E221 P226F129-H223 HydrophobicContact CE1-CB 4.08Å; F129-H223 HydrophobicContact CZ-CB 3.71Å; V217-H223 PolarHBondContact O-CE1 3.27Å; D219-H223 PolarHBondContact O-ND1 3.16Å; I220-H223 PolarHBondContact O-N 3.4Å; E221-H223 PolarHBondContact O-N 3.03Å; H223-P226 WeakPolarHBondContact O-CD 3.46Å
224L92.1Very high86.5Confident5 Ų570.4 Ų70.43%0.02638%0.376CS..Hα-helixtrans-82.4-29.7176.3-68.4-171.8000112.7Y35 L49 L127 I220 E221 P226 Y227 M228Y35-L224 HydrophobicContact CD1-CD1 3.87Å; Y35-L224 HydrophobicContact CD1-CD2 3.98Å; Y35-L224 HydrophobicContact CD2-CD1 4.35Å; Y35-L224 HydrophobicContact CD2-CD2 4.05Å; Y35-L224 HydrophobicContact CE1-CD1 3.69Å; Y35-L224 HydrophobicContact CE2-CD1 4.17Å; Y35-L224 HydrophobicContact CG-CD1 4.19Å; Y35-L224 HydrophobicContact CG-CD2 3.67Å; Y35-L224 HydrophobicContact CG-CG 4.5Å; L49-L224 HydrophobicContact CD1-CD2 4.11Å; L49-L224 HydrophobicContact CD2-CB 4.47Å; L49-L224 HydrophobicContact CD2-CD1 4.41Å; L49-L224 HydrophobicContact CD2-CD2 4.18Å; L127-L224 HydrophobicContact CD1-CD2 3.56Å; I220-L224 HydrophobicContact CG2-CD1 3.44Å; I220-L224 VanDerWaalsContact CG2-CD1 3.44Å; I220-L224 HydrophobicContact CG2-CG 3.79Å; I220-L224 VanDerWaalsContact O-CG 3.29Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.36Å; E221-L224 PolarHBondContact O-N 3.07Å; E221-L224 VanDerWaalsContact O-N 3.13Å; L224-P226 VanDerWaalsContact C-N 3.3Å; L224-P226 VanDerWaalsContact O-N 3.09Å; L224-Y227 CarbonylContact O-C 3.57Å; L224-Y227 WeakPolarHBondContact O-CA 3.39Å; L224-Y227 PolarHBondContact O-N 2.87Å; L224-M228 HydrophobicContact CB-CG 4.05Å; L224-M228 HydrophobicContact CB-SD 4.39Å; L224-M228 WeakPolarHBondContact O-CG 3.26Å; L224-M228 PolarHBondContact O-N 3.06Å
225R90Very high86.4Confident147 Ų14772.2 Ų72.256%0.55538%0.382SS*.G310 helixtrans-42.9-44.8-178.1-86.1173.6-166.1149.113.3114.6E221 D222 Y227 M228E221-R225 VanDerWaalsContact O-CG 3.29Å; E221-R225 WeakPolarHBondContact O-CG 3.49Å; E221-R225 PolarHBondContact O-N 3.34Å; D222-R225 IonicContact OD1-CZ 3.58Å; D222-R225 VanDerWaalsContact OD1-CZ 3.28Å; D222-R225 IonicContact OD1-NH1 3.38Å; D222-R225 PolarHBondContact OD1-NH1 2.97Å; D222-R225 IonicContact OD1-NH2 2.76Å; D222-R225 PolarHBondContact OD1-NH2 3Å; R225-Y227 PolarHBondContact O-N 2.89Å; R225-Y227 VanDerWaalsContact O-N 3.14Å; R225-M228 PolarHBondContact O-N 3.11Å
226P89.5Confident86Confident96 Ų9673.3 Ų73.362%0.62339%0.394SS*.G310 helixtrans-63.7-18178.3-22.534.9000114.9H223 L224H223-P226 WeakPolarHBondContact O-CD 3.46Å; L224-P226 VanDerWaalsContact C-N 3.3Å; L224-P226 VanDerWaalsContact O-N 3.09Å
227Y89.4Confident85.7Confident39 Ų3977.2 Ų77.215%0.15341%0.409CS..G310 helixtrans-115.2-9.9-174.5-50.6-72.4000113.3A37 V39 V125 L127 L224 R225A37-Y227 HydrophobicContact CB-CD1 3.67Å; A37-Y227 HydrophobicContact CB-CE1 4.29Å; A37-Y227 HydrophobicContact CB-CG 3.79Å; V39-Y227 HydrophobicContact CG2-CD1 3.92Å; V39-Y227 HydrophobicContact CG2-CE1 3.72Å; V125-Y227 HydrophobicContact CB-CE1 4.48Å; V125-Y227 HydrophobicContact CG2-CE1 4.3Å; L127-Y227 HydrophobicContact CD1-CD2 3.9Å; L127-Y227 HydrophobicContact CD1-CE2 3.9Å; L127-Y227 HydrophobicContact CD2-CE2 4.39Å; L224-Y227 CarbonylContact O-C 3.57Å; L224-Y227 WeakPolarHBondContact O-CA 3.39Å; L224-Y227 PolarHBondContact O-N 2.87Å; R225-Y227 PolarHBondContact O-N 2.89Å; R225-Y227 VanDerWaalsContact O-N 3.14Å
228M81.8Confident85.4Confident82 Ų8272.5 Ų72.540%0.40438%0.375SS..  trans-68.3138.1-179.6-72.1-167.786.800110.5L49 L224 R225L49-M228 HydrophobicContact CD2-CG 4.17Å; L224-M228 HydrophobicContact CB-CG 4.05Å; L224-M228 HydrophobicContact CB-SD 4.39Å; L224-M228 WeakPolarHBondContact O-CG 3.26Å; L224-M228 PolarHBondContact O-N 3.06Å; R225-M228 PolarHBondContact O-N 3.11Å
229P65.4Low85.2Confident33 Ų3376.1 Ų76.121%0.21438%0.382CS..  trans-72.9124.5164.329.2-29.5000109.1K46 R101K46-P229 HydrophobicContact CB-CB 4.36Å; K46-P229 HydrophobicContact CD-CB 3.81Å; R101-P229 HydrophobicContact CG-CG 4.44Å
230D57.4Low84.8Confident171 Ų17177 Ų7791%0.91438%0.384SS*.  trans-51.90167.6-30.9-67000111.7K46K46-D230 VanDerWaalsContact CE-N 3.31Å; K46-D230 WeakPolarHBondContact CE-OD2 3.28Å; K46-D230 PolarHBondContact NZ-O 3.18Å; K46-D230 IonicContact NZ-OD2 3.39Å; K46-D230 PolarHBondContact NZ-OD2 2.81Å

Retrieved 230 of 230 residues in 499.8 ms (Link to these results)

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