CF062_HUMAN Loading...

Uncharacterized protein C6orf62

AlphaFold DB (Q99LU8), UniProt , Accession Q9GZU0, Species HUMAN (Homo sapiens, Human), Gene C6orf62, Length 229 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
1M45.1Very low57.6Low247 Ų247115.6 Ų115.6100%1.21761%0.611SS**  0123.90-68.2-172.5-168.200108
2G53.1Low58.2Low55 Ų55111.3 Ų111.357%0.56759%0.588SS**  trans-79.1131.2-174.300000113
3D49.8Very low59.1Low88 Ų88108.8 Ų108.847%0.47158%0.575SS.*  trans-48.2125.9179.11784.4000112.5N5 S6 R7D3-N5 PolarHBondContact O-N 2.65Å; D3-N5 WeakPolarHBondContact OD1-CB 3.4Å; D3-N5 PolarHBondContact OD1-N 3.03Å; D3-S6 VanDerWaalsContact O-CB 3.26Å; D3-S6 WeakPolarHBondContact O-CB 3.35Å; D3-S6 PolarHBondContact O-N 2.92Å; D3-R7 PolarHBondContact O-N 3.05Å
4P53.2Low59.7Low99 Ų99112.3 Ų112.364%0.64358%0.577SS**Hα-helixtrans-52.8-36.1174.9-25.733.6000113.9S6 R7 K8P4-S6 VanDerWaalsContact C-N 3.29Å; P4-S6 PolarHBondContact O-N 2.64Å; P4-R7 PolarHBondContact O-N 2.86Å; P4-K8 PolarHBondContact O-N 3.31Å
5N59Low59.3Low121 Ų121105.9 Ų105.965%0.64754%0.544SS*.Hα-helixtrans-68.8-29.6177.8-74-39.5000112.2D3 K9D3-N5 PolarHBondContact O-N 2.65Å; D3-N5 WeakPolarHBondContact OD1-CB 3.4Å; D3-N5 PolarHBondContact OD1-N 3.03Å; N5-K9 WeakPolarHBondContact O-CB 3.16Å; N5-K9 PolarHBondContact O-N 3.2Å; N5-K9 VanDerWaalsContact O-N 3.14Å
6S58.1Low59.3Low53 Ų53108.1 Ų108.137%0.37154%0.543SS..Hα-helixtrans-68.6-37175.2-176.30000112.1D3 P4 K9 Q10D3-S6 VanDerWaalsContact O-CB 3.26Å; D3-S6 WeakPolarHBondContact O-CB 3.35Å; D3-S6 PolarHBondContact O-N 2.92Å; P4-S6 VanDerWaalsContact C-N 3.29Å; P4-S6 PolarHBondContact O-N 2.64Å; S6-K9 PolarHBondContact O-N 2.88Å; S6-Q10 WeakPolarHBondContact O-CB 3.18Å; S6-Q10 WeakPolarHBondContact O-CG 3.15Å; S6-Q10 PolarHBondContact O-N 2.86Å
7R56.1Low59.4Low177 Ų177104.4 Ų104.467%0.66853%0.533SS*.Hα-helixtrans-65.1-46.2175.9-73.3-172.9-147.6177.67.5112.3D3 P4 K9 Q10 A11D3-R7 PolarHBondContact O-N 3.05Å; P4-R7 PolarHBondContact O-N 2.86Å; R7-K9 VanDerWaalsContact C-N 3.31Å; R7-K9 PolarHBondContact O-N 3.37Å; R7-Q10 PolarHBondContact O-N 3.29Å; R7-A11 WeakPolarHBondContact O-CB 3.39Å; R7-A11 PolarHBondContact O-N 3.18Å
8K60.8Low59.3Low131 Ų131102.5 Ų102.557%0.5752%0.522SS*.Hα-helixtrans-61.1-42.2177.7-167.9169.9-177.7167.60111P4 A11 L12P4-K8 PolarHBondContact O-N 3.31Å; K8-A11 PolarHBondContact O-N 3Å; K8-L12 WeakPolarHBondContact O-CB 3.27Å; K8-L12 PolarHBondContact O-N 3.28Å
9K67.9Low58.8Low146 Ų14699.6 Ų99.664%0.63551%0.508SS*.Hα-helixtrans-66.5-38.6176.2-165.6173.9-177.7177.50112.7N5 S6 R7 N13N5-K9 WeakPolarHBondContact O-CB 3.16Å; N5-K9 PolarHBondContact O-N 3.2Å; N5-K9 VanDerWaalsContact O-N 3.14Å; S6-K9 PolarHBondContact O-N 2.88Å; R7-K9 VanDerWaalsContact C-N 3.31Å; R7-K9 PolarHBondContact O-N 3.37Å; K9-N13 WeakPolarHBondContact O-CB 3.17Å; K9-N13 VanDerWaalsContact O-CG 3.29Å; K9-N13 PolarHBondContact O-N 2.75Å; K9-N13 PolarHBondContact O-ND2 2.75Å
10Q68.2Low58.7Low96 Ų96105.9 Ų105.945%0.44952%0.524SS..Hα-helixtrans-67.4-43.1174.3-81.3-170.411.100112.5S6 R7 L12 N13 R14S6-Q10 WeakPolarHBondContact O-CB 3.18Å; S6-Q10 WeakPolarHBondContact O-CG 3.15Å; S6-Q10 PolarHBondContact O-N 2.86Å; R7-Q10 PolarHBondContact O-N 3.29Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 3.09Å; Q10-N13 PolarHBondContact O-N 3.19Å; Q10-R14 WeakPolarHBondContact O-CG 3.31Å; Q10-R14 PolarHBondContact O-N 2.76Å
11A62.4Low58.5Low59 Ų59108 Ų10849%0.48853%0.531SS..Hα-helixtrans-59-46.3175.100000110.7R7 K8 N13 R14 L15R7-A11 WeakPolarHBondContact O-CB 3.39Å; R7-A11 PolarHBondContact O-N 3.18Å; K8-A11 PolarHBondContact O-N 3Å; A11-N13 VanDerWaalsContact C-N 3.34Å; A11-N13 PolarHBondContact O-N 3.24Å; A11-R14 PolarHBondContact O-N 3.43Å; A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 PolarHBondContact O-N 2.88Å
12L64.3Low59.1Low63 Ų63103.5 Ų103.533%0.3350%0.504SS..Hα-helixtrans-61.2-39.6175.9-159.8105.5000112.6K8 Q10 R16K8-L12 WeakPolarHBondContact O-CB 3.27Å; K8-L12 PolarHBondContact O-N 3.28Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 3.09Å; L12-R16 VanDerWaalsContact CD2-CZ 3.45Å; L12-R16 WeakPolarHBondContact O-CB 3.46Å; L12-R16 VanDerWaalsContact O-CG 3.26Å; L12-R16 WeakPolarHBondContact O-CG 3.15Å; L12-R16 PolarHBondContact O-N 3.25Å
13N69.9Low59Low79 Ų79109.1 Ų109.142%0.42251%0.513SS..Hα-helixtrans-70.3-37.7176.9-76.9-16.6000112.8K9 Q10 A11 R16 A17K9-N13 WeakPolarHBondContact O-CB 3.17Å; K9-N13 VanDerWaalsContact O-CG 3.29Å; K9-N13 PolarHBondContact O-N 2.75Å; K9-N13 PolarHBondContact O-ND2 2.75Å; Q10-N13 PolarHBondContact O-N 3.19Å; A11-N13 VanDerWaalsContact C-N 3.34Å; A11-N13 PolarHBondContact O-N 3.24Å; N13-R16 PolarHBondContact O-N 2.8Å; N13-A17 WeakPolarHBondContact O-CB 3.33Å; N13-A17 PolarHBondContact O-N 2.82Å
14R67.4Low59.2Low158 Ų158108 Ų10860%0.59651%0.505SS*.Hα-helixtrans-64.3-46.4173.6-72.5178.4-160.6-179.66.7110.7Q10 A11 R16 A17 Q18Q10-R14 WeakPolarHBondContact O-CG 3.31Å; Q10-R14 PolarHBondContact O-N 2.76Å; A11-R14 PolarHBondContact O-N 3.43Å; R14-R16 PolarHBondContact O-N 2.99Å; R14-A17 CarbonylContact O-C 3.53Å; R14-A17 WeakPolarHBondContact O-CA 3.38Å; R14-A17 WeakPolarHBondContact O-CB 3.46Å; R14-A17 PolarHBondContact O-N 3.38Å; R14-Q18 PolarHBondContact O-N 2.76Å; R14-Q18 PolarHBondContact O-OE1 3.42Å
15L53.7Low59.8Low17 Ų17103.8 Ų103.89%0.08948%0.478CS..Hα-helixtrans-57.1-49.4174.8179.457.9000111A11 A17 Q18 L19 L26 Q29 W132A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 PolarHBondContact O-N 2.88Å; L15-A17 VanDerWaalsContact C-N 3.26Å; L15-A17 PolarHBondContact O-N 3.48Å; L15-Q18 PolarHBondContact O-N 3.18Å; L15-Q18 VanDerWaalsContact O-N 3.12Å; L15-L19 HydrophobicContact CD1-CD1 4.2Å; L15-L19 HydrophobicContact CD1-CD2 4.47Å; L15-L19 HydrophobicContact CD1-CG 4.08Å; L15-L19 HydrophobicContact CG-CD1 3.98Å; L15-L19 HydrophobicContact CG-CG 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.03Å; L15-L26 HydrophobicContact CD1-CD1 4.38Å; L15-L26 HydrophobicContact CD2-CD1 3.8Å; L15-L26 HydrophobicContact CG-CD1 4.35Å; L15-Q29 HydrophobicContact CD1-CG 3.58Å; L15-Q29 HydrophobicContact CD2-CG 4.32Å; L15-W132 HydrophobicContact CD2-CH2 4.11Å; L15-W132 HydrophobicContact CD2-CZ3 3.92Å
16R60.2Low60.4Low141 Ų14198.8 Ų98.853%0.53245%0.451SS..Hα-helixtrans-55.6-38.8173.6-76.9171.8174.8176.7-3.6112.8L12 N13 R14 R20L12-R16 VanDerWaalsContact CD2-CZ 3.45Å; L12-R16 WeakPolarHBondContact O-CB 3.46Å; L12-R16 VanDerWaalsContact O-CG 3.26Å; L12-R16 WeakPolarHBondContact O-CG 3.15Å; L12-R16 PolarHBondContact O-N 3.25Å; N13-R16 PolarHBondContact O-N 2.8Å; R14-R16 PolarHBondContact O-N 2.99Å; R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 2.98Å; R16-R20 PolarHBondContact O-N 2.85Å; R16-R20 VanDerWaalsContact O-N 3.1Å
17A60.8Low61.5Low45 Ų4596.2 Ų96.237%0.37243%0.433SS..Hα-helixtrans-72.8-34.8177.500000113.1N13 R14 L15 K21N13-A17 WeakPolarHBondContact O-CB 3.33Å; N13-A17 PolarHBondContact O-N 2.82Å; R14-A17 CarbonylContact O-C 3.53Å; R14-A17 WeakPolarHBondContact O-CA 3.38Å; R14-A17 WeakPolarHBondContact O-CB 3.46Å; R14-A17 PolarHBondContact O-N 3.38Å; L15-A17 VanDerWaalsContact C-N 3.26Å; L15-A17 PolarHBondContact O-N 3.48Å; A17-K21 WeakPolarHBondContact O-CG 3.41Å; A17-K21 PolarHBondContact O-N 3.21Å
18Q57.1Low62.7Low70 Ų7091.3 Ų91.333%0.32742%0.42SS..Hα-helixtrans-72.6-40.4175.8-77.2166.8-6500112R14 L15 K21 K22 K23 E24R14-Q18 PolarHBondContact O-N 2.76Å; R14-Q18 PolarHBondContact O-OE1 3.42Å; L15-Q18 PolarHBondContact O-N 3.18Å; L15-Q18 VanDerWaalsContact O-N 3.12Å; Q18-K21 CarbonylContact O-C 3.51Å; Q18-K21 WeakPolarHBondContact O-CA 3.46Å; Q18-K21 PolarHBondContact O-N 3.48Å; Q18-K22 PolarHBondContact O-N 3.03Å; Q18-K23 PolarHBondContact O-N 3.49Å; Q18-E24 VanDerWaalsContact CD-OE2 3.29Å; Q18-E24 VanDerWaalsContact NE2-CD 3.28Å; Q18-E24 PolarHBondContact NE2-OE1 3.42Å; Q18-E24 PolarHBondContact NE2-OE2 2.84Å; Q18-E24 PolarHBondContact OE1-OE2 3.26Å
19L51.1Low63.7Low48 Ų4887.9 Ų87.925%0.25141%0.406SS..Hα-helixtrans-59.3-45.1171.3-68.3171.3000111.3L15 K21 K22 E24 L26L15-L19 HydrophobicContact CD1-CD1 4.2Å; L15-L19 HydrophobicContact CD1-CD2 4.47Å; L15-L19 HydrophobicContact CD1-CG 4.08Å; L15-L19 HydrophobicContact CG-CD1 3.98Å; L15-L19 HydrophobicContact CG-CG 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.03Å; L19-K21 PolarHBondContact O-N 2.87Å; L19-K22 PolarHBondContact O-N 3.24Å; L19-E24 WeakPolarHBondContact CD2-O 3.47Å; L19-L26 HydrophobicContact CD1-CB 4.43Å; L19-L26 HydrophobicContact CD1-CD1 4.14Å; L19-L26 HydrophobicContact CD2-CB 3.68Å
20R55.8Low64.8Low224 Ų22481.3 Ų81.385%0.84538%0.378SS*.Hα-helixtrans-60.1-25.7173.3-79.5176.5179.8178.7-0.7113.5R16R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 2.98Å; R16-R20 PolarHBondContact O-N 2.85Å; R16-R20 VanDerWaalsContact O-N 3.1Å
21K55.3Low65.9Low150 Ų15078.8 Ų78.865%0.65237%0.367SS*.THydrogen-bonded Turntrans-90.23.9177.5-71.7177-179-177.40113.3A17 Q18 L19 K23A17-K21 WeakPolarHBondContact O-CG 3.41Å; A17-K21 PolarHBondContact O-N 3.21Å; Q18-K21 CarbonylContact O-C 3.51Å; Q18-K21 WeakPolarHBondContact O-CA 3.46Å; Q18-K21 PolarHBondContact O-N 3.48Å; L19-K21 PolarHBondContact O-N 2.87Å; K21-K23 HydrophobicContact CB-CG 4.24Å; K21-K23 PolarHBondContact O-N 2.97Å
22K56.3Low67.4Low154 Ų15477.3 Ų77.367%0.6735%0.35SS*.THydrogen-bonded Turntrans51.522.1-173.2-64.5-169.7172.9-170.30114.2Q18 L19 E64Q18-K22 PolarHBondContact O-N 3.03Å; L19-K22 PolarHBondContact O-N 3.24Å; K22-E64 IonicContact NZ-OE2 3.38Å
23K50.7Low68.9Low173 Ų17376.7 Ų76.775%0.75234%0.344SS*.  trans-88.6-23.6-173.8-79.7-163.4174.8-1660114.2Q18 K21Q18-K23 PolarHBondContact O-N 3.49Å; K21-K23 HydrophobicContact CB-CG 4.24Å; K21-K23 PolarHBondContact O-N 2.97Å
24E54.9Low70.2Confident65 Ų6572.9 Ų72.930%0.30432%0.324SS..SBendtrans-135.4136.9-179.7-73.4174.2-172.200107.9Q18 L19 Q29Q18-E24 VanDerWaalsContact CD-OE2 3.29Å; Q18-E24 VanDerWaalsContact NE2-CD 3.28Å; Q18-E24 PolarHBondContact NE2-OE1 3.42Å; Q18-E24 PolarHBondContact NE2-OE2 2.84Å; Q18-E24 PolarHBondContact OE1-OE2 3.26Å; L19-E24 WeakPolarHBondContact CD2-O 3.47Å; E24-Q29 PolarHBondContact OE2-NE2 3.41Å
25S66.7Low71.6Confident10 Ų1065.8 Ų65.87%0.0730%0.298CS..  trans-76.6136.2172.9125.40000107.7A27 D28 M59S25-A27 PolarHBondContact O-N 3.23Å; S25-A27 PolarHBondContact OG-N 2.83Å; S25-D28 VanDerWaalsContact CB-CG 3.42Å; S25-D28 WeakPolarHBondContact CB-OD1 3.14Å; S25-D28 WeakPolarHBondContact CB-OD2 3.39Å; S25-D28 PolarHBondContact N-OD2 3.33Å; S25-D28 WeakPolarHBondContact O-CB 3.4Å; S25-D28 PolarHBondContact O-N 3.34Å; S25-D28 PolarHBondContact OG-N 3.4Å; S25-D28 PolarHBondContact OG-OD1 2.93Å; S25-D28 PolarHBondContact OG-OD2 3.17Å; S25-M59 WeakPolarHBondContact OG-CG 3.4Å
26L71.3Confident73.6Confident15 Ų1565 Ų658%0.07929%0.293CS..G310 helixtrans-61.6-30.7176.6178.959.2000110.6L15 L19 D28 Q29 F30 Q208 L211L15-L26 HydrophobicContact CD1-CD1 4.38Å; L15-L26 HydrophobicContact CD2-CD1 3.8Å; L15-L26 HydrophobicContact CG-CD1 4.35Å; L19-L26 HydrophobicContact CD1-CB 4.43Å; L19-L26 HydrophobicContact CD1-CD1 4.14Å; L19-L26 HydrophobicContact CD2-CB 3.68Å; L26-D28 PolarHBondContact O-N 3.26Å; L26-Q29 WeakPolarHBondContact O-CB 3.49Å; L26-Q29 PolarHBondContact O-N 2.83Å; L26-F30 HydrophobicContact CD1-CE2 3.68Å; L26-F30 HydrophobicContact CD1-CZ 4.34Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 WeakPolarHBondContact O-CD2 3.47Å; L26-F30 WeakPolarHBondContact O-CE2 3.45Å; L26-Q208 HydrophobicContact CB-CG 3.74Å; L26-Q208 HydrophobicContact CD2-CG 3.68Å; L26-Q208 HydrophobicContact CG-CG 4.24Å; L26-L211 HydrophobicContact CB-CD1 4.11Å; L26-L211 HydrophobicContact CD2-CB 4.36Å; L26-L211 HydrophobicContact CD2-CD1 4.09Å; L26-L211 HydrophobicContact CG-CD1 3.79Å
27A80.8Confident75.3Confident0 Ų058.3 Ų58.30%027%0.268CS..G310 helixtrans-62.5-28.317600000112.6S25 Q29 F30 F32 P57 M59 V90 L211S25-A27 PolarHBondContact O-N 3.23Å; S25-A27 PolarHBondContact OG-N 2.83Å; A27-Q29 PolarHBondContact O-N 2.93Å; A27-Q29 VanDerWaalsContact O-N 3.14Å; A27-F30 PolarHBondContact O-N 3.32Å; A27-F30 VanDerWaalsContact O-N 3.13Å; A27-F32 HydrophobicContact CB-CE2 4.23Å; A27-F32 HydrophobicContact CB-CZ 4.19Å; A27-F32 WeakPolarHBondContact O-CE2 3.46Å; A27-P57 HydrophobicContact CB-CB 3.79Å; A27-M59 HydrophobicContact CB-SD 4.12Å; A27-V90 HydrophobicContact CB-CG1 3.62Å; A27-V90 HydrophobicContact CB-CG2 4.2Å; A27-L211 HydrophobicContact CB-CD1 4.15Å
28D80.7Confident77Confident73 Ų7356.1 Ų56.139%0.3925%0.25SS..G310 helixtrans-67.4-15.7179.6-56.2-13.9000112.8S25 L26 K133S25-D28 VanDerWaalsContact CB-CG 3.42Å; S25-D28 WeakPolarHBondContact CB-OD1 3.14Å; S25-D28 WeakPolarHBondContact CB-OD2 3.39Å; S25-D28 PolarHBondContact N-OD2 3.33Å; S25-D28 WeakPolarHBondContact O-CB 3.4Å; S25-D28 PolarHBondContact O-N 3.34Å; S25-D28 PolarHBondContact OG-N 3.4Å; S25-D28 PolarHBondContact OG-OD1 2.93Å; S25-D28 PolarHBondContact OG-OD2 3.17Å; L26-D28 PolarHBondContact O-N 3.26Å; D28-K133 WeakPolarHBondContact O-CD 3.32Å
29Q83.1Confident78.8Confident59 Ų5953.8 Ų53.828%0.27624%0.241SC..G310 helixtrans-89.6-1.3179.1-55.6-65.4-40.700113.2L15 E24 L26 A27 W132 K133L15-Q29 HydrophobicContact CD1-CG 3.58Å; L15-Q29 HydrophobicContact CD2-CG 4.32Å; E24-Q29 PolarHBondContact OE2-NE2 3.41Å; L26-Q29 WeakPolarHBondContact O-CB 3.49Å; L26-Q29 PolarHBondContact O-N 2.83Å; A27-Q29 PolarHBondContact O-N 2.93Å; A27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-W132 HydrophobicContact CB-CE3 4.29Å; Q29-W132 HydrophobicContact CB-CZ3 4.1Å; Q29-K133 WeakPolarHBondContact O-CB 3.38Å; Q29-K133 PolarHBondContact O-N 3.2Å
30F89.7Confident80.9Confident8 Ų852.2 Ų52.24%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-121141.1-179.1-62.1-82.7000111.3L26 A27 F32 R131 W132 L211 T212 W214L26-F30 HydrophobicContact CD1-CE2 3.68Å; L26-F30 HydrophobicContact CD1-CZ 4.34Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 WeakPolarHBondContact O-CD2 3.47Å; L26-F30 WeakPolarHBondContact O-CE2 3.45Å; A27-F30 PolarHBondContact O-N 3.32Å; A27-F30 VanDerWaalsContact O-N 3.13Å; F30-F32 HydrophobicContact CB-CE1 4.16Å; F30-F32 HydrophobicContact CB-CE2 4Å; F30-F32 HydrophobicContact CB-CZ 3.75Å; F30-R131 CarbonylContact C-O 3.59Å; F30-R131 WeakPolarHBondContact CA-O 3.39Å; F30-R131 WeakPolarHBondContact CB-O 3.33Å; F30-R131 WeakPolarHBondContact CD1-O 3.38Å; F30-W132 HydrophobicContact CD1-CD2 4.41Å; F30-W132 HydrophobicContact CD1-CE3 4.21Å; F30-W132 AromaticContact CE1-CD2 3.72Å; F30-W132 HydrophobicContact CE1-CD2 3.72Å; F30-W132 AromaticContact CE1-CE2 3.89Å; F30-W132 AromaticContact CE1-CE3 3.58Å; F30-W132 HydrophobicContact CE1-CE3 3.58Å; F30-W132 HydrophobicContact CE1-CG 4.43Å; F30-W132 AromaticContact CE1-CH2 3.84Å; F30-W132 HydrophobicContact CE1-CH2 3.84Å; F30-W132 AromaticContact CE1-CZ2 3.96Å; F30-W132 HydrophobicContact CE1-CZ2 3.96Å; F30-W132 AromaticContact CE1-CZ3 3.65Å; F30-W132 HydrophobicContact CE1-CZ3 3.65Å; F30-W132 HydrophobicContact CE2-CE3 4.47Å; F30-W132 HydrophobicContact CE2-CH2 4.34Å; F30-W132 AromaticContact CE2-CZ3 3.97Å; F30-W132 HydrophobicContact CE2-CZ3 3.97Å; F30-W132 HydrophobicContact CZ-CD2 4.25Å; F30-W132 AromaticContact CZ-CE3 3.76Å; F30-W132 HydrophobicContact CZ-CE3 3.76Å; F30-W132 AromaticContact CZ-CH2 3.4Å; F30-W132 HydrophobicContact CZ-CH2 3.4Å; F30-W132 VanDerWaalsContact CZ-CH2 3.4Å; F30-W132 AromaticContact CZ-CZ2 3.92Å; F30-W132 HydrophobicContact CZ-CZ2 3.92Å; F30-W132 AromaticContact CZ-CZ3 3.31Å; F30-W132 HydrophobicContact CZ-CZ3 3.31Å; F30-L211 HydrophobicContact CD2-CB 4.25Å; F30-L211 HydrophobicContact CD2-CD1 4.2Å; F30-L211 HydrophobicContact CE2-CB 3.92Å; F30-L211 HydrophobicContact CE2-CD1 4.27Å; F30-L211 HydrophobicContact CZ-CB 4.37Å; F30-T212 HydrophobicContact CZ-CG2 4.05Å; F30-W214 HydrophobicContact CD1-CZ2 4.01Å; F30-W214 AromaticContact CE1-CH2 3.84Å; F30-W214 HydrophobicContact CE1-CH2 3.84Å; F30-W214 AromaticContact CE1-CZ2 3.49Å; F30-W214 HydrophobicContact CE1-CZ2 3.49Å; F30-W214 VanDerWaalsContact CE1-CZ2 3.49Å
31D91.8Very high82.7Confident44 Ų4446.7 Ų46.724%0.23521%0.214CC..EExtended strand (participates in β ladder)trans-84.4141.7156.6-68.3-28.3000108.1S130 R131 F139D31-S130 VanDerWaalsContact O-CA 3.23Å; D31-S130 WeakPolarHBondContact O-CA 3.28Å; D31-R131 HydrophobicContact CB-CG 3.92Å; D31-R131 PolarHBondContact N-O 2.93Å; D31-R131 PolarHBondContact O-N 3.37Å; D31-R131 VanDerWaalsContact O-N 3.07Å; D31-R131 IonicContact OD2-CZ 3.67Å; D31-R131 IonicContact OD2-NE 2.75Å; D31-R131 PolarHBondContact OD2-NE 3.46Å; D31-R131 VanDerWaalsContact OD2-NE 3.1Å; D31-R131 IonicContact OD2-NH2 3.75Å; D31-R131 PolarHBondContact OD2-NH2 2.77Å; D31-F139 HydrophobicContact CB-CE1 3.87Å; D31-F139 HydrophobicContact CB-CZ 3.85Å
32F94.2Very high84.4Confident27 Ų2745.2 Ų45.212%0.11821%0.209CC..EExtended strand (participates in β ladder)trans-115.6146.2178.1-63.4-78.6000111.5A27 F30 V55 P57 L92 L128 F129 L211A27-F32 HydrophobicContact CB-CE2 4.23Å; A27-F32 HydrophobicContact CB-CZ 4.19Å; A27-F32 WeakPolarHBondContact O-CE2 3.46Å; F30-F32 HydrophobicContact CB-CE1 4.16Å; F30-F32 HydrophobicContact CB-CE2 4Å; F30-F32 HydrophobicContact CB-CZ 3.75Å; F32-V55 HydrophobicContact CB-CB 3.82Å; F32-V55 HydrophobicContact CB-CG1 3.79Å; F32-V55 HydrophobicContact CB-CG2 4.27Å; F32-V55 HydrophobicContact CG-CG1 4.32Å; F32-P57 HydrophobicContact CD2-CB 4.32Å; F32-P57 HydrophobicContact CD2-CG 4.23Å; F32-P57 HydrophobicContact CE2-CB 3.87Å; F32-P57 HydrophobicContact CE2-CG 4.01Å; F32-L92 HydrophobicContact CD1-CD2 4.01Å; F32-L92 HydrophobicContact CD2-CD2 4.01Å; F32-L92 HydrophobicContact CE1-CD2 4.02Å; F32-L92 HydrophobicContact CE2-CD2 4.03Å; F32-L92 HydrophobicContact CG-CD2 4Å; F32-L92 HydrophobicContact CZ-CD2 4.02Å; F32-L128 HydrophobicContact CD1-CD1 4.1Å; F32-F129 WeakPolarHBondContact CA-O 3.41Å; F32-L211 HydrophobicContact CE1-CD2 3.44Å; F32-L211 VanDerWaalsContact CE1-CD2 3.44Å; F32-L211 HydrophobicContact CZ-CD2 3.51Å
33K95.1Very high85.7Confident50 Ų5047.7 Ų47.722%0.21722%0.22CC..EExtended strand (participates in β ladder)trans-133.5132.5169.8-167.5170.2-161.8-1780108.9Y35 E51 F129 F139 I219K33-Y35 HydrophobicContact CD-CE2 3.91Å; K33-Y35 WeakPolarHBondContact CE-OH 3.26Å; K33-Y35 HydrophobicContact CG-CE2 3.88Å; K33-Y35 PolarHBondContact NZ-OH 2.89Å; K33-E51 WeakPolarHBondContact CE-OE1 3.34Å; K33-E51 IonicContact NZ-OE1 3.54Å; K33-E51 PolarHBondContact NZ-OE1 3.42Å; K33-F129 HydrophobicContact CB-CB 4.27Å; K33-F129 PolarHBondContact N-O 3.37Å; K33-F129 PolarHBondContact O-N 3.17Å; K33-F139 HydrophobicContact CB-CD1 3.71Å; K33-F139 HydrophobicContact CB-CE1 3.75Å; K33-F139 HydrophobicContact CB-CG 4.19Å; K33-F139 HydrophobicContact CB-CZ 4.26Å; K33-F139 HydrophobicContact CD-CD2 4.44Å; K33-I219 HydrophobicContact CD-CD1 3.82Å
34M96.9Very high87.2Confident0 Ų048.5 Ų48.50%022%0.224CC..EExtended strand (participates in β ladder)trans-129.7141.6-177.5-175.4-173.6-53.900110.9V52 V55 L92 A94 L127 L128 L204M34-V52 HydrophobicContact CB-CB 3.88Å; M34-V52 HydrophobicContact CB-CG1 4.45Å; M34-V52 HydrophobicContact CB-CG2 3.81Å; M34-V52 HydrophobicContact CG-CB 4.42Å; M34-V52 HydrophobicContact CG-CG2 3.79Å; M34-V52 WeakPolarHBondContact O-CB 3.34Å; M34-V52 PolarHBondContact O-N 3.34Å; M34-V52 HydrophobicContact SD-CG2 3.92Å; M34-V55 HydrophobicContact CB-CG2 3.56Å; M34-V55 HydrophobicContact CE-CG1 4.05Å; M34-V55 HydrophobicContact CE-CG2 4.21Å; M34-L92 HydrophobicContact CE-CB 4.04Å; M34-A94 HydrophobicContact CE-CB 4.44Å; M34-A94 HydrophobicContact SD-CB 3.86Å; M34-L127 CarbonylContact C-O 3.14Å; M34-L127 VanDerWaalsContact CA-O 3.28Å; M34-L127 WeakPolarHBondContact CA-O 3.24Å; M34-L128 HydrophobicContact CB-CD1 4.48Å; M34-L128 HydrophobicContact CE-CD1 4.2Å; M34-L204 HydrophobicContact CE-CD1 3.42Å; M34-L204 VanDerWaalsContact CE-CD1 3.42Å; M34-L204 HydrophobicContact CE-CG 3.75Å; M34-L204 HydrophobicContact CG-CD1 4.5Å; M34-L204 HydrophobicContact SD-CD1 3.85Å; M34-L204 HydrophobicContact SD-CG 4.17Å
35Y96.7Very high88.7Confident9 Ų949.2 Ų49.24%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-124.9147.5170.5-64.4-96000110K33 F50 E51 M100 C126 L127 F129 I219 L223K33-Y35 HydrophobicContact CD-CE2 3.91Å; K33-Y35 WeakPolarHBondContact CE-OH 3.26Å; K33-Y35 HydrophobicContact CG-CE2 3.88Å; K33-Y35 PolarHBondContact NZ-OH 2.89Å; Y35-F50 CarbonylContact C-O 3.52Å; Y35-F50 VanDerWaalsContact CA-O 3.25Å; Y35-F50 WeakPolarHBondContact CA-O 3.44Å; Y35-E51 HydrophobicContact CD1-CB 3.83Å; Y35-E51 HydrophobicContact CD1-CG 4.17Å; Y35-E51 HydrophobicContact CE1-CB 3.62Å; Y35-E51 HydrophobicContact CE1-CG 3.67Å; Y35-M100 HydrophobicContact CE1-CE 4.09Å; Y35-M100 HydrophobicContact CE1-SD 4.14Å; Y35-C126 CarbonylContact O-C 3.55Å; Y35-C126 WeakPolarHBondContact O-CA 3.5Å; Y35-L127 PolarHBondContact N-O 2.95Å; Y35-L127 PolarHBondContact O-N 3.34Å; Y35-F129 HydrophobicContact CD2-CD2 4.03Å; Y35-F129 AromaticContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CE2-CD2 4.27Å; Y35-F129 HydrophobicContact CE2-CE2 4.1Å; Y35-I219 HydrophobicContact CE2-CG2 3.68Å; Y35-L223 HydrophobicContact CD1-CD1 3.99Å; Y35-L223 HydrophobicContact CD1-CD2 3.98Å; Y35-L223 HydrophobicContact CD2-CD1 4.41Å; Y35-L223 HydrophobicContact CD2-CD2 4.01Å; Y35-L223 HydrophobicContact CE1-CD1 3.73Å; Y35-L223 HydrophobicContact CE2-CD1 4.16Å; Y35-L223 HydrophobicContact CG-CD1 4.31Å; Y35-L223 HydrophobicContact CG-CD2 3.68Å
36I96.9Very high89.6Confident0 Ų053.4 Ų53.40%024%0.243CC..EExtended strand (participates in β ladder)trans-124.1122.3-179.9-58.3160.3000108F38 F50 V52 M111 I124 I202I36-F38 HydrophobicContact CG2-CD2 4.39Å; I36-F38 HydrophobicContact CG2-CE2 3.78Å; I36-F38 HydrophobicContact CG2-CZ 3.93Å; I36-F50 PolarHBondContact N-O 3.33Å; I36-F50 PolarHBondContact O-N 2.86Å; I36-V52 HydrophobicContact CD1-CG2 3.5Å; I36-V52 HydrophobicContact CG1-CG2 3.89Å; I36-M111 HydrophobicContact CD1-CE 3.27Å; I36-M111 HydrophobicContact CD1-SD 4.21Å; I36-I124 HydrophobicContact CG2-CG2 3.99Å; I36-I202 HydrophobicContact CD1-CD1 3.8Å; I36-I202 HydrophobicContact CD1-CG1 4.44Å; I36-I202 HydrophobicContact CG1-CD1 4.15Å; I36-I202 HydrophobicContact CG2-CD1 3.9Å
37A96.1Very high90.6Very high0 Ų053.6 Ų53.60%025%0.245CC..EExtended strand (participates in β ladder)trans-113.7123.4176.100000110.4A48 L49 I124 V125 Y226A37-A48 WeakPolarHBondContact CA-O 3.18Å; A37-L49 HydrophobicContact CB-CD1 3.95Å; A37-I124 WeakPolarHBondContact O-CA 3.48Å; A37-V125 HydrophobicContact CB-CB 4.4Å; A37-V125 PolarHBondContact N-O 3.37Å; A37-V125 PolarHBondContact O-N 2.86Å; A37-Y226 HydrophobicContact CB-CD1 3.7Å; A37-Y226 HydrophobicContact CB-CD2 4.46Å; A37-Y226 HydrophobicContact CB-CE1 4.33Å; A37-Y226 HydrophobicContact CB-CG 3.78Å
38F95.9Very high91.2Very high0 Ų054.5 Ų54.50%025%0.253CS..EExtended strand (participates in β ladder)trans-92.7105.1166.3-57.9-91.7000108.2I36 S47 A48 F50 F113 L115 I124 L199I36-F38 HydrophobicContact CG2-CD2 4.39Å; I36-F38 HydrophobicContact CG2-CE2 3.78Å; I36-F38 HydrophobicContact CG2-CZ 3.93Å; F38-S47 WeakPolarHBondContact O-CA 3.35Å; F38-S47 WeakPolarHBondContact O-CB 3.44Å; F38-A48 HydrophobicContact CB-CB 4.23Å; F38-A48 HydrophobicContact CD2-CB 4.38Å; F38-A48 PolarHBondContact N-O 3.44Å; F38-A48 PolarHBondContact O-N 2.91Å; F38-F50 AromaticContact CD2-CD2 3.84Å; F38-F50 HydrophobicContact CD2-CD2 3.84Å; F38-F50 AromaticContact CD2-CE2 3.65Å; F38-F50 HydrophobicContact CD2-CE2 3.65Å; F38-F50 AromaticContact CE2-CD2 3.72Å; F38-F50 HydrophobicContact CE2-CD2 3.72Å; F38-F50 AromaticContact CE2-CE2 3.71Å; F38-F50 HydrophobicContact CE2-CE2 3.71Å; F38-F113 HydrophobicContact CB-CE1 4.36Å; F38-F113 HydrophobicContact CB-CE2 4.48Å; F38-F113 HydrophobicContact CB-CZ 3.95Å; F38-F113 AromaticContact CD1-CD1 3.84Å; F38-F113 HydrophobicContact CD1-CD1 3.84Å; F38-F113 AromaticContact CD1-CE1 3.66Å; F38-F113 HydrophobicContact CD1-CE1 3.66Å; F38-F113 HydrophobicContact CD1-CE2 4.49Å; F38-F113 HydrophobicContact CD1-CG 4.32Å; F38-F113 HydrophobicContact CD1-CZ 4.01Å; F38-F113 AromaticContact CD2-CD2 3.93Å; F38-F113 HydrophobicContact CD2-CD2 3.93Å; F38-F113 HydrophobicContact CD2-CE1 4.37Å; F38-F113 AromaticContact CD2-CE2 3.74Å; F38-F113 HydrophobicContact CD2-CE2 3.74Å; F38-F113 HydrophobicContact CD2-CG 4.32Å; F38-F113 AromaticContact CD2-CZ 3.97Å; F38-F113 HydrophobicContact CD2-CZ 3.97Å; F38-F113 HydrophobicContact CE1-CB 4.37Å; F38-F113 AromaticContact CE1-CD1 3.69Å; F38-F113 HydrophobicContact CE1-CD1 3.69Å; F38-F113 HydrophobicContact CE1-CD2 4.49Å; F38-F113 HydrophobicContact CE1-CE1 4.04Å; F38-F113 AromaticContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE2-CB 4.36Å; F38-F113 HydrophobicContact CE2-CD1 4.38Å; F38-F113 AromaticContact CE2-CD2 3.73Å; F38-F113 HydrophobicContact CE2-CD2 3.73Å; F38-F113 HydrophobicContact CE2-CE2 4.05Å; F38-F113 AromaticContact CE2-CG 3.9Å; F38-F113 HydrophobicContact CE2-CG 3.9Å; F38-F113 HydrophobicContact CE2-CZ 4.5Å; F38-F113 HydrophobicContact CG-CD1 4.28Å; F38-F113 HydrophobicContact CG-CD2 4.38Å; F38-F113 AromaticContact CG-CE1 3.86Å; F38-F113 HydrophobicContact CG-CE1 3.86Å; F38-F113 AromaticContact CG-CE2 3.98Å; F38-F113 HydrophobicContact CG-CE2 3.98Å; F38-F113 AromaticContact CG-CZ 3.69Å; F38-F113 HydrophobicContact CG-CZ 3.69Å; F38-F113 HydrophobicContact CZ-CB 3.9Å; F38-F113 AromaticContact CZ-CD1 3.97Å; F38-F113 HydrophobicContact CZ-CD1 3.97Å; F38-F113 HydrophobicContact CZ-CD2 4.04Å; F38-F113 AromaticContact CZ-CG 3.7Å; F38-F113 HydrophobicContact CZ-CG 3.7Å; F38-L115 HydrophobicContact CD1-CD2 4.26Å; F38-L115 HydrophobicContact CE1-CD2 3.85Å; F38-I124 HydrophobicContact CD1-CD1 4.25Å; F38-I124 HydrophobicContact CD1-CG1 3.8Å; F38-I124 HydrophobicContact CD1-CG2 4.46Å; F38-I124 HydrophobicContact CE1-CD1 3.89Å; F38-I124 HydrophobicContact CE1-CG1 3.91Å; F38-I124 HydrophobicContact CE1-CG2 4.24Å; F38-L199 HydrophobicContact CE1-CD2 4.26Å; F38-L199 HydrophobicContact CZ-CD2 3.83Å
39V95.4Very high91.9Very high20 Ų2051.2 Ų51.212%0.12124%0.235CC..EExtended strand (participates in β ladder)trans-86.3127.6-179.1-175.20000108.5E122 K123 V125 Y226V39-E122 PolarHBondContact O-N 2.82Å; V39-K123 HydrophobicContact CB-CG 3.99Å; V39-K123 HydrophobicContact CG2-CG 4.19Å; V39-K123 PolarHBondContact N-O 2.92Å; V39-K123 PolarHBondContact O-N 3.18Å; V39-V125 HydrophobicContact CG2-CG2 3.97Å; V39-Y226 HydrophobicContact CG2-CD1 3.89Å; V39-Y226 HydrophobicContact CG2-CE1 3.69Å
40F95Very high92.4Very high15 Ų1549.4 Ų49.47%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-91.6148.1179.3-58.6-66.6000111.5E42 K45 K46 A48 R118 D120 I121F40-E42 PolarHBondContact O-N 3.25Å; F40-K45 HydrophobicContact CB-CB 4.21Å; F40-K45 HydrophobicContact CB-CD 3.86Å; F40-K45 HydrophobicContact CB-CG 4.22Å; F40-K45 HydrophobicContact CD1-CD 4.25Å; F40-K45 HydrophobicContact CD2-CB 4.33Å; F40-K45 HydrophobicContact CD2-CD 3.62Å; F40-K45 HydrophobicContact CD2-CG 3.61Å; F40-K45 HydrophobicContact CE2-CD 4.22Å; F40-K45 HydrophobicContact CE2-CG 4.26Å; F40-K45 HydrophobicContact CG-CD 3.63Å; F40-K45 HydrophobicContact CG-CG 4.07Å; F40-K46 WeakPolarHBondContact CD2-O 3.25Å; F40-K46 WeakPolarHBondContact CE2-O 3.48Å; F40-A48 HydrophobicContact CE2-CB 4.18Å; F40-A48 HydrophobicContact CZ-CB 4.03Å; F40-R118 VanDerWaalsContact CE1-NH2 3.28Å; F40-D120 CarbonylContact C-O 3.55Å; F40-D120 VanDerWaalsContact CA-O 3.24Å; F40-D120 WeakPolarHBondContact CA-O 3.38Å; F40-D120 WeakPolarHBondContact CB-O 3.2Å; F40-D120 WeakPolarHBondContact CD1-OD2 3.38Å; F40-I121 HydrophobicContact CD1-CG1 4.19Å; F40-I121 HydrophobicContact CE1-CG1 4.12Å
41K94.1Very high92.7Very high108 Ų10851.3 Ų51.347%0.4724%0.235SC..SBendtrans-59.8-33.5177.8-66-179-177.1165.20112.3K43 N119 D120 I121 E122 H150K41-K43 PolarHBondContact O-N 3.16Å; K41-N119 VanDerWaalsContact CD-O 3.31Å; K41-N119 WeakPolarHBondContact CD-O 3.32Å; K41-N119 WeakPolarHBondContact CE-O 3.38Å; K41-N119 PolarHBondContact NZ-O 2.91Å; K41-D120 PolarHBondContact N-O 2.85Å; K41-I121 VanDerWaalsContact CE-O 3.27Å; K41-I121 WeakPolarHBondContact CE-O 3.24Å; K41-E122 HydrophobicContact CG-CB 3.92Å; K41-H150 PolarHBondContact NZ-CD2 2.71Å
42E91.2Very high92.8Very high120 Ų12049.5 Ų49.556%0.56123%0.226SC*.SBendtrans-76.1107.5175.9-174.5177.2-174.400109.9F40 K44 K45F40-E42 PolarHBondContact O-N 3.25Å; E42-K44 HydrophobicContact CG-CB 4.3Å; E42-K44 PolarHBondContact O-N 2.82Å; E42-K45 HydrophobicContact CB-CB 4.05Å; E42-K45 HydrophobicContact CG-CB 4.34Å; E42-K45 WeakPolarHBondContact O-CB 3.18Å; E42-K45 PolarHBondContact O-N 2.84Å
43K81.9Confident92.6Very high205 Ų20550.5 Ų50.589%0.89124%0.236SC*.THydrogen-bonded Turntrans-58.2-23.5-178-63.8-173.5178.1-176.80114.7K41K41-K43 PolarHBondContact O-N 3.16Å
44K82.8Confident92.3Very high190 Ų19052.3 Ų52.383%0.82625%0.246SC*.THydrogen-bonded Turntrans-78-22175.6-66.3-174.3178.5-178.40112.6E42E42-K44 HydrophobicContact CG-CB 4.3Å; E42-K44 PolarHBondContact O-N 2.82Å
45K85.8Confident92Very high81 Ų8153.2 Ų53.235%0.35225%0.251SS..SBendtrans-83.2119.9-179.5-171.2177.5175.4178.60109F40 E42 D120F40-K45 HydrophobicContact CB-CB 4.21Å; F40-K45 HydrophobicContact CB-CD 3.86Å; F40-K45 HydrophobicContact CB-CG 4.22Å; F40-K45 HydrophobicContact CD1-CD 4.25Å; F40-K45 HydrophobicContact CD2-CB 4.33Å; F40-K45 HydrophobicContact CD2-CD 3.62Å; F40-K45 HydrophobicContact CD2-CG 3.61Å; F40-K45 HydrophobicContact CE2-CD 4.22Å; F40-K45 HydrophobicContact CE2-CG 4.26Å; F40-K45 HydrophobicContact CG-CD 3.63Å; F40-K45 HydrophobicContact CG-CG 4.07Å; E42-K45 HydrophobicContact CB-CB 4.05Å; E42-K45 HydrophobicContact CG-CB 4.34Å; E42-K45 WeakPolarHBondContact O-CB 3.18Å; E42-K45 PolarHBondContact O-N 2.84Å; K45-D120 IonicContact NZ-OD2 3.49Å; K45-D120 PolarHBondContact NZ-OD2 3.48Å
46K86.9Confident91.6Very high98 Ų9856 Ų5643%0.42627%0.266SS..PPolyproline II helixtrans-59.4139.2176.5-70.2169.2170-175.20110.5F40 P228 E229F40-K46 WeakPolarHBondContact CD2-O 3.25Å; F40-K46 WeakPolarHBondContact CE2-O 3.48Å; K46-P228 HydrophobicContact CB-CB 4.39Å; K46-P228 HydrophobicContact CD-CB 3.83Å; K46-E229 VanDerWaalsContact NZ-CB 3.34Å; K46-E229 VanDerWaalsContact NZ-N 3.19Å; K46-E229 PolarHBondContact NZ-O 2.87Å
47S92.7Very high91.1Very high18 Ų1857.9 Ų57.913%0.12628%0.278CS..PPolyproline II helixtrans-60.6147.9175.2-61.80000110.7F38 L49F38-S47 WeakPolarHBondContact O-CA 3.35Å; F38-S47 WeakPolarHBondContact O-CB 3.44Å; S47-L49 PolarHBondContact O-N 2.84Å
48A92.5Very high90.4Very high19 Ų1959 Ų5916%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-85.1107.5168.600000108.6A37 F38 F40 F50 F113A37-A48 WeakPolarHBondContact CA-O 3.18Å; F38-A48 HydrophobicContact CB-CB 4.23Å; F38-A48 HydrophobicContact CD2-CB 4.38Å; F38-A48 PolarHBondContact N-O 3.44Å; F38-A48 PolarHBondContact O-N 2.91Å; F40-A48 HydrophobicContact CE2-CB 4.18Å; F40-A48 HydrophobicContact CZ-CB 4.03Å; A48-F50 HydrophobicContact CB-CE2 3.74Å; A48-F50 HydrophobicContact CB-CZ 4.38Å; A48-F113 HydrophobicContact CB-CE2 4.12Å; A48-F113 HydrophobicContact CB-CZ 4.49Å
49L94.2Very high89.4Confident4 Ų459.2 Ų59.22%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-103.2133.4-176.8-176.766.1000110.9A37 S47 M100 L223 M227A37-L49 HydrophobicContact CB-CD1 3.95Å; S47-L49 PolarHBondContact O-N 2.84Å; L49-M100 HydrophobicContact CB-CB 4.26Å; L49-M100 HydrophobicContact CD2-CB 4.13Å; L49-M100 HydrophobicContact CD2-CG 4.18Å; L49-M100 HydrophobicContact CG-CB 4.08Å; L49-M100 HydrophobicContact CG-CG 3.96Å; L49-M100 WeakPolarHBondContact O-CB 3.44Å; L49-M100 PolarHBondContact O-N 3.42Å; L49-L223 HydrophobicContact CD1-CD2 4.16Å; L49-L223 HydrophobicContact CD2-CD2 4.25Å; L49-M227 HydrophobicContact CD2-CG 4.14Å
50F94.7Very high87.9Confident21 Ų2158.4 Ų58.49%0.09228%0.281CS..EExtended strand (participates in β ladder)trans-130.7141.6179.6-60.1-95.7000110.6Y35 I36 F38 A48 Y97 Q98 F113Y35-F50 CarbonylContact C-O 3.52Å; Y35-F50 VanDerWaalsContact CA-O 3.25Å; Y35-F50 WeakPolarHBondContact CA-O 3.44Å; I36-F50 PolarHBondContact N-O 3.33Å; I36-F50 PolarHBondContact O-N 2.86Å; F38-F50 AromaticContact CD2-CD2 3.84Å; F38-F50 HydrophobicContact CD2-CD2 3.84Å; F38-F50 AromaticContact CD2-CE2 3.65Å; F38-F50 HydrophobicContact CD2-CE2 3.65Å; F38-F50 AromaticContact CE2-CD2 3.72Å; F38-F50 HydrophobicContact CE2-CD2 3.72Å; F38-F50 AromaticContact CE2-CE2 3.71Å; F38-F50 HydrophobicContact CE2-CE2 3.71Å; A48-F50 HydrophobicContact CB-CE2 3.74Å; A48-F50 HydrophobicContact CB-CZ 4.38Å; F50-Y97 HydrophobicContact CB-CD2 3.8Å; F50-Y97 HydrophobicContact CB-CG 4.15Å; F50-Y97 HydrophobicContact CD1-CD1 4.31Å; F50-Y97 AromaticContact CD1-CD2 3.78Å; F50-Y97 HydrophobicContact CD1-CD2 3.78Å; F50-Y97 HydrophobicContact CD1-CE1 4.38Å; F50-Y97 AromaticContact CD1-CE2 3.9Å; F50-Y97 HydrophobicContact CD1-CE2 3.9Å; F50-Y97 AromaticContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD2-CD2 4.37Å; F50-Y97 HydrophobicContact CD2-CE2 4.33Å; F50-Y97 HydrophobicContact CE1-CD2 4.46Å; F50-Y97 HydrophobicContact CE1-CE1 4.45Å; F50-Y97 HydrophobicContact CE1-CE2 4.13Å; F50-Y97 AromaticContact CG-CD2 3.73Å; F50-Y97 HydrophobicContact CG-CD2 3.73Å; F50-Y97 HydrophobicContact CG-CE2 4.02Å; F50-Y97 HydrophobicContact CG-CG 4.26Å; F50-Y97 HydrophobicContact CZ-CE2 4.45Å; F50-Q98 CarbonylContact C-O 3.58Å; F50-Q98 WeakPolarHBondContact CA-O 3.42Å; F50-F113 AromaticContact CE2-CD2 3.97Å; F50-F113 HydrophobicContact CE2-CD2 3.97Å; F50-F113 AromaticContact CE2-CE2 3.94Å; F50-F113 HydrophobicContact CE2-CE2 3.94Å; F50-F113 AromaticContact CZ-CD2 4Å; F50-F113 HydrophobicContact CZ-CD2 4Å; F50-F113 HydrophobicContact CZ-CE2 4.11Å
51E95.1Very high86.2Confident48 Ų4859.7 Ų59.722%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-93.3131167.6-178.2166.9-178.400108.8K33 Y35 S53 Y97 Q98 M100K33-E51 WeakPolarHBondContact CE-OE1 3.34Å; K33-E51 IonicContact NZ-OE1 3.54Å; K33-E51 PolarHBondContact NZ-OE1 3.42Å; Y35-E51 HydrophobicContact CD1-CB 3.83Å; Y35-E51 HydrophobicContact CD1-CG 4.17Å; Y35-E51 HydrophobicContact CE1-CB 3.62Å; Y35-E51 HydrophobicContact CE1-CG 3.67Å; E51-S53 PolarHBondContact O-N 3.05Å; E51-Y97 CarbonylContact O-C 3.52Å; E51-Y97 VanDerWaalsContact O-CA 3.22Å; E51-Y97 WeakPolarHBondContact O-CA 3.23Å; E51-Q98 PolarHBondContact N-O 3.11Å; E51-Q98 PolarHBondContact O-N 3.02Å; E51-M100 HydrophobicContact CB-CG 4.26Å; E51-M100 HydrophobicContact CB-SD 3.64Å
52V94.4Very high84.4Confident7 Ų759.8 Ų59.84%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-76.9123.1174.1175.20000107.9M34 I36 E54 V55 A94 M111M34-V52 HydrophobicContact CB-CB 3.88Å; M34-V52 HydrophobicContact CB-CG1 4.45Å; M34-V52 HydrophobicContact CB-CG2 3.81Å; M34-V52 HydrophobicContact CG-CB 4.42Å; M34-V52 HydrophobicContact CG-CG2 3.79Å; M34-V52 WeakPolarHBondContact O-CB 3.34Å; M34-V52 PolarHBondContact O-N 3.34Å; M34-V52 HydrophobicContact SD-CG2 3.92Å; I36-V52 HydrophobicContact CD1-CG2 3.5Å; I36-V52 HydrophobicContact CG1-CG2 3.89Å; V52-E54 VanDerWaalsContact C-N 3.27Å; V52-E54 WeakPolarHBondContact CG1-O 3.44Å; V52-E54 PolarHBondContact O-N 2.63Å; V52-V55 HydrophobicContact CB-CG2 4.4Å; V52-V55 HydrophobicContact CG1-CG2 3.88Å; V52-A94 HydrophobicContact CB-CB 4.39Å; V52-A94 HydrophobicContact CG1-CB 3.56Å; V52-A94 HydrophobicContact CG2-CB 3.88Å; V52-M111 HydrophobicContact CG2-CE 4.33Å
53S90.3Very high82.6Confident48 Ų4859.1 Ų59.134%0.33629%0.287SS..SBendtrans-69.5-29.2-175.363.10000113E51 R96 T108E51-S53 PolarHBondContact O-N 3.05Å; S53-R96 PolarHBondContact N-O 3.39Å; S53-R96 VanDerWaalsContact OG-CB 3.23Å; S53-R96 WeakPolarHBondContact OG-CB 3.47Å; S53-R96 PolarHBondContact OG-O 3.19Å; S53-T108 VanDerWaalsContact OG-CG2 3.26Å; S53-T108 WeakPolarHBondContact OG-CG2 3.48Å
54E89.1Confident81.6Confident88 Ų8853.4 Ų53.441%0.41126%0.264SS..  trans-152.9128-176.5-175.8178.7-172.600109.3V52 I56 R96V52-E54 VanDerWaalsContact C-N 3.27Å; V52-E54 WeakPolarHBondContact CG1-O 3.44Å; V52-E54 PolarHBondContact O-N 2.63Å; E54-I56 HydrophobicContact CG-CG1 3.99Å; E54-R96 IonicContact OE2-NH2 2.75Å; E54-R96 PolarHBondContact OE2-NH2 3.48Å
55V90.9Very high80.3Confident19 Ų1951.9 Ų51.912%0.11526%0.26CS..  trans-108.1117.1173.5-179.20000107.2F32 M34 V52 P57 L92 H93F32-V55 HydrophobicContact CB-CB 3.82Å; F32-V55 HydrophobicContact CB-CG1 3.79Å; F32-V55 HydrophobicContact CB-CG2 4.27Å; F32-V55 HydrophobicContact CG-CG1 4.32Å; M34-V55 HydrophobicContact CB-CG2 3.56Å; M34-V55 HydrophobicContact CE-CG1 4.05Å; M34-V55 HydrophobicContact CE-CG2 4.21Å; V52-V55 HydrophobicContact CB-CG2 4.4Å; V52-V55 HydrophobicContact CG1-CG2 3.88Å; V55-P57 WeakPolarHBondContact O-CD 3.27Å; V55-L92 HydrophobicContact CG1-CB 3.88Å; V55-L92 HydrophobicContact CG1-CD2 3.72Å; V55-L92 HydrophobicContact CG1-CG 4.37Å; V55-H93 WeakPolarHBondContact CA-O 3.22Å
56I87.4Confident79.1Confident67 Ų6752.6 Ų52.634%0.34427%0.267SS..EExtended strand (participates in β ladder)trans-100103.3-177.6-54.5171.9000108E54 V58 H93 P95E54-I56 HydrophobicContact CG-CG1 3.99Å; I56-V58 HydrophobicContact CG2-CG2 4.35Å; I56-H93 HydrophobicContact CB-CB 4.28Å; I56-H93 PolarHBondContact N-O 3.45Å; I56-H93 PolarHBondContact O-N 3.09Å; I56-P95 HydrophobicContact CD1-CG 4.19Å
57P87.6Confident77.7Confident40 Ų4049.2 Ų49.226%0.2625%0.253SS..EExtended strand (participates in β ladder)trans-75.3132.7175.230.6-33.8000110.7A27 F32 V55 V90 Q91 L92A27-P57 HydrophobicContact CB-CB 3.79Å; F32-P57 HydrophobicContact CD2-CB 4.32Å; F32-P57 HydrophobicContact CD2-CG 4.23Å; F32-P57 HydrophobicContact CE2-CB 3.87Å; F32-P57 HydrophobicContact CE2-CG 4.01Å; V55-P57 WeakPolarHBondContact O-CD 3.27Å; P57-V90 HydrophobicContact CB-CG1 4.1Å; P57-Q91 CarbonylContact C-O 3.58Å; P57-Q91 WeakPolarHBondContact CA-O 3.11Å; P57-L92 HydrophobicContact CB-CD2 3.93Å
58V80.6Confident76.5Confident23 Ų2351 Ų5114%0.13926%0.261CS..EExtended strand (participates in β ladder)trans-131.6116.9177.1166.90000108.3I56 Y63 Q91I56-V58 HydrophobicContact CG2-CG2 4.35Å; V58-Y63 HydrophobicContact CG1-CD2 3.73Å; V58-Y63 HydrophobicContact CG1-CE2 3.21Å; V58-Q91 HydrophobicContact CB-CB 4.22Å; V58-Q91 PolarHBondContact N-O 2.81Å; V58-Q91 WeakPolarHBondContact O-CB 3.36Å; V58-Q91 PolarHBondContact O-N 2.93Å
59M74.3Confident75.4Confident4 Ų455.3 Ų55.32%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-78131.7171.9-68.8-54.5-59.300110.4S25 A27 N61 N62 V90 Q208S25-M59 WeakPolarHBondContact OG-CG 3.4Å; A27-M59 HydrophobicContact CB-SD 4.12Å; M59-N61 PolarHBondContact O-N 3.33Å; M59-N62 HydrophobicContact CB-CB 4.5Å; M59-N62 WeakPolarHBondContact O-CB 3.5Å; M59-N62 PolarHBondContact O-N 2.83Å; M59-N62 VanDerWaalsContact O-N 3.09Å; M59-V90 HydrophobicContact CE-CG2 4.25Å; M59-V90 HydrophobicContact SD-CB 4.06Å; M59-V90 HydrophobicContact SD-CG1 4.19Å; M59-V90 HydrophobicContact SD-CG2 3.51Å; M59-V90 VanDerWaalsContact SD-CG2 3.51Å; M59-Q208 HydrophobicContact CE-CB 4.32Å; M59-Q208 HydrophobicContact CE-CG 4.28Å
60T64.6Low73.7Confident3 Ų355.4 Ų55.42%0.01828%0.279CS..G310 helixtrans-56.9-34.7173.145.30000111.9N62 Y63 K87 V89 Q91T60-N62 PolarHBondContact O-N 2.91Å; T60-Y63 PolarHBondContact O-N 3.23Å; T60-K87 PolarHBondContact OG1-O 3.48Å; T60-V89 HydrophobicContact CG2-CB 4.46Å; T60-V89 PolarHBondContact N-O 2.86Å; T60-V89 PolarHBondContact OG1-O 3.21Å; T60-Q91 HydrophobicContact CG2-CG 4.16Å
61N59Low72.1Confident43 Ų4356 Ų5623%0.2328%0.284CS..G310 helixtrans-63.9-25.8-179.3-34.924000112.2M59 Y63 D88M59-N61 PolarHBondContact O-N 3.33Å; N61-Y63 PolarHBondContact O-N 2.9Å; N61-D88 PolarHBondContact ND2-OD1 2.88Å
62N56.3Low71Confident109 Ų10961.9 Ų61.958%0.58330%0.304SS*.G310 helixtrans-75.8-14.1176.4-67.3-7.3000112.2M59 T60M59-N62 HydrophobicContact CB-CB 4.5Å; M59-N62 WeakPolarHBondContact O-CB 3.5Å; M59-N62 PolarHBondContact O-N 2.83Å; M59-N62 VanDerWaalsContact O-N 3.09Å; T60-N62 PolarHBondContact O-N 2.91Å
63Y54.3Low70.2Confident107 Ų10766.3 Ų66.342%0.4233%0.328SS..G310 helixtrans-106.414.3-179.8-73.5-101.5000112.1V58 T60 N61 E65 N66 I67V58-Y63 HydrophobicContact CG1-CD2 3.73Å; V58-Y63 HydrophobicContact CG1-CE2 3.21Å; T60-Y63 PolarHBondContact O-N 3.23Å; N61-Y63 PolarHBondContact O-N 2.9Å; Y63-E65 PolarHBondContact O-N 2.9Å; Y63-E65 VanDerWaalsContact O-N 3.15Å; Y63-N66 HydrophobicContact CD1-CB 3.99Å; Y63-N66 VanDerWaalsContact CD1-ND2 3.32Å; Y63-N66 WeakPolarHBondContact CD1-ND2 3.43Å; Y63-N66 CarbonylContact O-C 3.56Å; Y63-N66 WeakPolarHBondContact O-CA 3.26Å; Y63-N66 PolarHBondContact O-N 2.74Å; Y63-I67 WeakPolarHBondContact O-CG1 3.34Å; Y63-I67 PolarHBondContact O-N 2.9Å
64E59.4Low69.1Low84 Ų8469.2 Ų69.239%0.39335%0.348SS..Hα-helixtrans-47-47178.5-173.1173.1174.500111.4K22 N66 I67 L68 L85K22-E64 IonicContact NZ-OE2 3.38Å; E64-N66 PolarHBondContact O-N 2.96Å; E64-I67 PolarHBondContact O-N 3.32Å; E64-L68 HydrophobicContact CG-CD1 4Å; E64-L68 VanDerWaalsContact O-CB 3.3Å; E64-L68 WeakPolarHBondContact O-CB 2.83Å; E64-L68 WeakPolarHBondContact O-CG 3.28Å; E64-L68 PolarHBondContact O-N 2.78Å; E64-L85 HydrophobicContact CB-CD2 4.08Å; E64-L85 HydrophobicContact CG-CD1 4.34Å; E64-L85 HydrophobicContact CG-CD2 4.15Å
65E57Low67.6Low159 Ų15968.4 Ų68.474%0.74335%0.352SS*.Hα-helixtrans-63.8-39.1177-66.8-173170.500113.8Y63 K69Y63-E65 PolarHBondContact O-N 2.9Å; Y63-E65 VanDerWaalsContact O-N 3.15Å; E65-K69 WeakPolarHBondContact O-CB 3.32Å; E65-K69 PolarHBondContact O-N 3.39Å
66N59.3Low66.3Low95 Ų9574.1 Ų74.151%0.50837%0.372SS..Hα-helixtrans-75.4-37.9-179.3-73.1-33.4000112.1Y63 E64 K69 G70Y63-N66 HydrophobicContact CD1-CB 3.99Å; Y63-N66 VanDerWaalsContact CD1-ND2 3.32Å; Y63-N66 WeakPolarHBondContact CD1-ND2 3.43Å; Y63-N66 CarbonylContact O-C 3.56Å; Y63-N66 WeakPolarHBondContact O-CA 3.26Å; Y63-N66 PolarHBondContact O-N 2.74Å; E64-N66 PolarHBondContact O-N 2.96Å; N66-K69 WeakPolarHBondContact O-CB 3.21Å; N66-K69 PolarHBondContact O-N 3.48Å; N66-G70 PolarHBondContact O-N 3.32Å
67I58.6Low65.6Low27 Ų2774.1 Ų74.114%0.13838%0.378CS..Hα-helixtrans-65.1-47.9174.5-69.3167.2000109.1Y63 E64 K69 G70 V71 L85Y63-I67 WeakPolarHBondContact O-CG1 3.34Å; Y63-I67 PolarHBondContact O-N 2.9Å; E64-I67 PolarHBondContact O-N 3.32Å; I67-K69 VanDerWaalsContact C-N 3.25Å; I67-K69 PolarHBondContact O-N 2.94Å; I67-G70 WeakPolarHBondContact O-CA 3.48Å; I67-G70 PolarHBondContact O-N 2.76Å; I67-V71 PolarHBondContact O-N 2.78Å; I67-V71 VanDerWaalsContact O-N 3.1Å; I67-L85 HydrophobicContact CB-CD2 4.43Å; I67-L85 HydrophobicContact CD1-CD2 3.66Å; I67-L85 HydrophobicContact CD1-CG 4.29Å; I67-L85 HydrophobicContact CG2-CD1 4.14Å; I67-L85 HydrophobicContact CG2-CD2 4.43Å; I67-L85 HydrophobicContact CG2-CG 4.14Å
68L66Low64.8Low55 Ų5576.7 Ų76.729%0.28839%0.389SS..Hα-helixtrans-65-29.5175.7-67.6174.7000112.3E64 V71 R72 L85E64-L68 HydrophobicContact CG-CD1 4Å; E64-L68 VanDerWaalsContact O-CB 3.3Å; E64-L68 WeakPolarHBondContact O-CB 2.83Å; E64-L68 WeakPolarHBondContact O-CG 3.28Å; E64-L68 PolarHBondContact O-N 2.78Å; L68-V71 PolarHBondContact O-N 3.47Å; L68-R72 WeakPolarHBondContact O-CG 3.32Å; L68-R72 PolarHBondContact O-N 3.09Å; L68-R72 VanDerWaalsContact O-N 3.12Å; L68-L85 HydrophobicContact CD2-CD1 4.36Å; L68-L85 HydrophobicContact CG-CD1 4.49Å
69K69.9Low64.1Low110 Ų11082.4 Ų82.448%0.47841%0.414SS..Hα-helixtrans-64.3-43.9169.4-170.1-178.3175.2-175.90111.5E65 N66 I67 V71 R72 D73E65-K69 WeakPolarHBondContact O-CB 3.32Å; E65-K69 PolarHBondContact O-N 3.39Å; N66-K69 WeakPolarHBondContact O-CB 3.21Å; N66-K69 PolarHBondContact O-N 3.48Å; I67-K69 VanDerWaalsContact C-N 3.25Å; I67-K69 PolarHBondContact O-N 2.94Å; K69-V71 VanDerWaalsContact C-N 3.27Å; K69-V71 PolarHBondContact O-N 3.26Å; K69-R72 WeakPolarHBondContact O-CB 3.49Å; K69-R72 PolarHBondContact O-N 3.47Å; K69-R72 VanDerWaalsContact O-N 3.07Å; K69-D73 PolarHBondContact O-N 3.04Å
70G60Low63.5Low7 Ų784 Ų847%0.07243%0.426CS..Hα-helixtrans-59.9-33.9174.800000113.8N66 I67 D73 S74 S75N66-G70 PolarHBondContact O-N 3.32Å; I67-G70 WeakPolarHBondContact O-CA 3.48Å; I67-G70 PolarHBondContact O-N 2.76Å; G70-D73 CarbonylContact O-C 3.56Å; G70-D73 PolarHBondContact O-N 3.48Å; G70-S74 PolarHBondContact O-N 2.96Å; G70-S75 PolarHBondContact O-N 2.88Å
71V61.1Low63.4Low34 Ų3483.9 Ų83.921%0.20643%0.425CS..Hα-helixtrans-65.7-45.9171.3179.30000111.1I67 L68 K69 D73 S74 L78 S81I67-V71 PolarHBondContact O-N 2.78Å; I67-V71 VanDerWaalsContact O-N 3.1Å; L68-V71 PolarHBondContact O-N 3.47Å; K69-V71 VanDerWaalsContact C-N 3.27Å; K69-V71 PolarHBondContact O-N 3.26Å; V71-D73 PolarHBondContact O-N 2.84Å; V71-S74 PolarHBondContact O-N 3.42Å; V71-S74 VanDerWaalsContact O-N 3.09Å; V71-L78 HydrophobicContact CG1-CB 4Å; V71-L78 HydrophobicContact CG1-CD1 4.15Å; V71-S81 VanDerWaalsContact CG2-CB 3.44Å; V71-S81 WeakPolarHBondContact CG2-OG 3.38Å
72R71.4Confident63.7Low171 Ų17185.5 Ų85.565%0.64543%0.434SS*.Hα-helixtrans-60.2-37.1175.7-70.5-174.6-67.2-102.50.9111.8L68 K69 S74L68-R72 WeakPolarHBondContact O-CG 3.32Å; L68-R72 PolarHBondContact O-N 3.09Å; L68-R72 VanDerWaalsContact O-N 3.12Å; K69-R72 WeakPolarHBondContact O-CB 3.49Å; K69-R72 PolarHBondContact O-N 3.47Å; K69-R72 VanDerWaalsContact O-N 3.07Å; R72-S74 PolarHBondContact O-N 2.88Å
73D77Confident64Low100 Ų10084.9 Ų84.954%0.53543%0.427SS..THydrogen-bonded Turntrans-84.49.8179-62.3-16000112.7K69 G70 V71 S75K69-D73 PolarHBondContact O-N 3.04Å; G70-D73 CarbonylContact O-C 3.56Å; G70-D73 PolarHBondContact O-N 3.48Å; V71-D73 PolarHBondContact O-N 2.84Å; D73-S75 PolarHBondContact O-N 2.84Å; D73-S75 VanDerWaalsContact O-N 3.07Å
74S66.7Low64.3Low108 Ų10883.1 Ų83.176%0.75543%0.425SS*.THydrogen-bonded Turntrans5524179.4-560000115G70 V71 R72G70-S74 PolarHBondContact O-N 2.96Å; V71-S74 PolarHBondContact O-N 3.42Å; V71-S74 VanDerWaalsContact O-N 3.09Å; R72-S74 PolarHBondContact O-N 2.88Å
75S58.8Low64.5Low71 Ų7180.6 Ų80.650%0.49741%0.414SS..SBendtrans-76.4-29.5178.9-60.70000112.1G70 D73G70-S75 PolarHBondContact O-N 2.88Å; D73-S75 PolarHBondContact O-N 2.84Å; D73-S75 VanDerWaalsContact O-N 3.07Å
76Y63.7Low64.7Low140 Ų14080.4 Ų80.455%0.54941%0.413SS..SBendtrans-146.3158.8177.6-25.7-76.2000110
77S72.5Confident64.9Low66 Ų6680.8 Ų80.846%0.46241%0.41SS..  trans-73.9153176.973.80000111.6E79 S80 S81S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 3.47Å; S77-S80 PolarHBondContact N-OG 3.14Å; S77-S80 PolarHBondContact O-N 2.89Å; S77-S80 PolarHBondContact O-OG 2.91Å; S77-S80 WeakPolarHBondContact OG-CB 3.47Å; S77-S80 PolarHBondContact OG-N 3.36Å; S77-S80 VanDerWaalsContact OG-N 3.11Å; S77-S80 PolarHBondContact OG-OG 3.21Å; S77-S80 VanDerWaalsContact OG-OG 3.04Å; S77-S81 WeakPolarHBondContact O-CB 3.25Å; S77-S81 PolarHBondContact O-N 3.32Å; S77-S81 PolarHBondContact O-OG 3.18Å
78L69.6Low65.7Low95 Ų9583.4 Ų83.450%0.49742%0.424SS..Hα-helixtrans-57.6-41.3174.1178.863.1000111.6V71 S81 L82V71-L78 HydrophobicContact CG1-CB 4Å; V71-L78 HydrophobicContact CG1-CD1 4.15Å; L78-S81 PolarHBondContact O-N 3.2Å; L78-L82 HydrophobicContact CD1-CD1 4.28Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 HydrophobicContact CG-CD1 4.02Å; L78-L82 HydrophobicContact CG-CG 4.37Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 2.66Å
79E67.4Low66.3Low142 Ų14281.5 Ų81.566%0.66442%0.415SS*.Hα-helixtrans-60.7-49.6178.5-172173.3-16200111.6S77 S81 L82 E83S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 3.47Å; E79-S81 PolarHBondContact O-N 3.45Å; E79-L82 PolarHBondContact O-N 3.38Å; E79-E83 WeakPolarHBondContact O-CG 3.02Å; E79-E83 PolarHBondContact O-N 3.36Å
80S61.9Low67.2Low39 Ų3976.3 Ų76.327%0.27339%0.392SS..Hα-helixtrans-61.3-34.4176.265.80000112.8S77 L84S77-S80 PolarHBondContact N-OG 3.14Å; S77-S80 PolarHBondContact O-N 2.89Å; S77-S80 PolarHBondContact O-OG 2.91Å; S77-S80 WeakPolarHBondContact OG-CB 3.47Å; S77-S80 PolarHBondContact OG-N 3.36Å; S77-S80 VanDerWaalsContact OG-N 3.11Å; S77-S80 PolarHBondContact OG-OG 3.21Å; S77-S80 VanDerWaalsContact OG-OG 3.04Å; S80-L84 WeakPolarHBondContact O-CB 2.73Å; S80-L84 VanDerWaalsContact O-CG 3.26Å; S80-L84 WeakPolarHBondContact O-CG 3.34Å; S80-L84 PolarHBondContact O-N 2.82Å
81S62.4Low68.5Low0 Ų077.6 Ų77.60%040%0.396CS..Hα-helixtrans-73-38.2178.3-620000112.1V71 S77 L78 E79 L84 L85V71-S81 VanDerWaalsContact CG2-CB 3.44Å; V71-S81 WeakPolarHBondContact CG2-OG 3.38Å; S77-S81 WeakPolarHBondContact O-CB 3.25Å; S77-S81 PolarHBondContact O-N 3.32Å; S77-S81 PolarHBondContact O-OG 3.18Å; L78-S81 PolarHBondContact O-N 3.2Å; E79-S81 PolarHBondContact O-N 3.45Å; S81-L84 PolarHBondContact O-N 2.85Å; S81-L85 WeakPolarHBondContact O-CB 3.28Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 2.87Å
82L63.6Low70Confident77 Ų7776 Ų7640%0.40339%0.387SS..Hα-helixtrans-66.7-40.5173.4-72.5172.6000111.3L78 E79 L84 L85 Q86L78-L82 HydrophobicContact CD1-CD1 4.28Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 HydrophobicContact CG-CD1 4.02Å; L78-L82 HydrophobicContact CG-CG 4.37Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 2.66Å; E79-L82 PolarHBondContact O-N 3.38Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.82Å; L82-L85 PolarHBondContact O-N 3.1Å; L82-Q86 VanDerWaalsContact O-CB 3.3Å; L82-Q86 WeakPolarHBondContact O-CB 2.99Å; L82-Q86 WeakPolarHBondContact O-CG 3.39Å; L82-Q86 PolarHBondContact O-N 3.09Å
83E64.2Low70.9Confident96 Ų9670 Ų7045%0.44937%0.366SS..Hα-helixtrans-60.6-41.9172.7-72.9-175-177.300112.1E79 K87E79-E83 WeakPolarHBondContact O-CG 3.02Å; E79-E83 PolarHBondContact O-N 3.36Å; E83-K87 VanDerWaalsContact O-CG 3.27Å; E83-K87 WeakPolarHBondContact O-CG 3.13Å; E83-K87 PolarHBondContact O-N 2.9Å
84L60.1Low71.6Confident69 Ų6965.2 Ų65.236%0.36134%0.34SS..Hα-helixtrans-65-36.9175.8-75.2168.8000112.6S80 S81 L82S80-L84 WeakPolarHBondContact O-CB 2.73Å; S80-L84 VanDerWaalsContact O-CG 3.26Å; S80-L84 WeakPolarHBondContact O-CG 3.34Å; S80-L84 PolarHBondContact O-N 2.82Å; S81-L84 PolarHBondContact O-N 2.85Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 2.82Å
85L62.9Low72.5Confident32 Ų3262 Ų6217%0.16832%0.317CS..Hα-helixtrans-78.6-29.9178.8-71.1170.1000113.1E64 I67 L68 S81 L82 K87E64-L85 HydrophobicContact CB-CD2 4.08Å; E64-L85 HydrophobicContact CG-CD1 4.34Å; E64-L85 HydrophobicContact CG-CD2 4.15Å; I67-L85 HydrophobicContact CB-CD2 4.43Å; I67-L85 HydrophobicContact CD1-CD2 3.66Å; I67-L85 HydrophobicContact CD1-CG 4.29Å; I67-L85 HydrophobicContact CG2-CD1 4.14Å; I67-L85 HydrophobicContact CG2-CD2 4.43Å; I67-L85 HydrophobicContact CG2-CG 4.14Å; L68-L85 HydrophobicContact CD2-CD1 4.36Å; L68-L85 HydrophobicContact CG-CD1 4.49Å; S81-L85 WeakPolarHBondContact O-CB 3.28Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 2.87Å; L82-L85 PolarHBondContact O-N 3.1Å; L85-K87 VanDerWaalsContact C-N 3.33Å
86Q62.5Low73.9Confident154 Ų15463.5 Ų63.572%0.7231%0.312SS*.Hα-helixtrans-73.8-28175.7-77.9176.56.300112.3L82 D88L82-Q86 VanDerWaalsContact O-CB 3.3Å; L82-Q86 WeakPolarHBondContact O-CB 2.99Å; L82-Q86 WeakPolarHBondContact O-CG 3.39Å; L82-Q86 PolarHBondContact O-N 3.09Å; Q86-D88 PolarHBondContact O-N 3.08Å
87K61.7Low75.3Confident103 Ų10356.9 Ų56.945%0.44829%0.286SS..SBendtrans-80.596.1173.7-69.8174.3-175.2171.90107.7T60 E83 L85 V89T60-K87 PolarHBondContact OG1-O 3.48Å; E83-K87 VanDerWaalsContact O-CG 3.27Å; E83-K87 WeakPolarHBondContact O-CG 3.13Å; E83-K87 PolarHBondContact O-N 2.9Å; L85-K87 VanDerWaalsContact C-N 3.33Å; K87-V89 HydrophobicContact CB-CG2 3.67Å; K87-V89 PolarHBondContact O-N 2.83Å
88D75.8Confident76.2Confident83 Ų8356.8 Ų56.844%0.44428%0.278SS..  trans-58.183.5166.5-82.6-23.5000108.7N61 Q86 Q208N61-D88 PolarHBondContact ND2-OD1 2.88Å; Q86-D88 PolarHBondContact O-N 3.08Å; D88-Q208 HydrophobicContact CB-CB 4.12Å; D88-Q208 VanDerWaalsContact O-CB 3.31Å; D88-Q208 WeakPolarHBondContact O-CB 3.42Å; D88-Q208 PolarHBondContact O-N 3.23Å
89V80Confident77.2Confident15 Ų1553.5 Ų53.59%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-121.3132.1-170.1168.70000109.1T60 K87 Y205 L206T60-V89 HydrophobicContact CG2-CB 4.46Å; T60-V89 PolarHBondContact N-O 2.86Å; T60-V89 PolarHBondContact OG1-O 3.21Å; K87-V89 HydrophobicContact CB-CG2 3.67Å; K87-V89 PolarHBondContact O-N 2.83Å; V89-Y205 HydrophobicContact CG1-CD2 3.98Å; V89-Y205 HydrophobicContact CG1-CG 3.92Å; V89-L206 WeakPolarHBondContact CA-O 3.21Å
90V87.1Confident78.2Confident0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-88.8122.3170.2-167.90000106.9A27 P57 M59 L92 L206 Q208 L211A27-V90 HydrophobicContact CB-CG1 3.62Å; A27-V90 HydrophobicContact CB-CG2 4.2Å; P57-V90 HydrophobicContact CB-CG1 4.1Å; M59-V90 HydrophobicContact CE-CG2 4.25Å; M59-V90 HydrophobicContact SD-CB 4.06Å; M59-V90 HydrophobicContact SD-CG1 4.19Å; M59-V90 HydrophobicContact SD-CG2 3.51Å; M59-V90 VanDerWaalsContact SD-CG2 3.51Å; V90-L92 HydrophobicContact CG1-CD2 3.92Å; V90-L92 HydrophobicContact CG1-CG 4.07Å; V90-L206 PolarHBondContact N-O 3.26Å; V90-L206 PolarHBondContact O-N 2.99Å; V90-Q208 HydrophobicContact CG2-CB 4.32Å; V90-L211 HydrophobicContact CG2-CD1 3.65Å; V90-L211 HydrophobicContact CG2-CD2 4.29Å; V90-L211 HydrophobicContact CG2-CG 4.05Å
91Q88.5Confident79.1Confident34 Ų3453.8 Ų53.816%0.15926%0.256CS..EExtended strand (participates in β ladder)trans-91.2121.8167.6-56.4-172.44.700108.7P57 V58 T60 H93 L204 Y205P57-Q91 CarbonylContact C-O 3.58Å; P57-Q91 WeakPolarHBondContact CA-O 3.11Å; V58-Q91 HydrophobicContact CB-CB 4.22Å; V58-Q91 PolarHBondContact N-O 2.81Å; V58-Q91 WeakPolarHBondContact O-CB 3.36Å; V58-Q91 PolarHBondContact O-N 2.93Å; T60-Q91 HydrophobicContact CG2-CG 4.16Å; Q91-H93 PolarHBondContact OE1-NE2 2.84Å; Q91-L204 CarbonylContact C-O 3.44Å; Q91-L204 WeakPolarHBondContact CA-O 3.36Å; Q91-Y205 HydrophobicContact CB-CD1 4.34Å; Q91-Y205 HydrophobicContact CB-CE1 4.15Å; Q91-Y205 HydrophobicContact CG-CD1 3.88Å; Q91-Y205 HydrophobicContact CG-CE1 3.5Å; Q91-Y205 PolarHBondContact NE2-OH 3.43Å
92L92.1Very high79.8Confident0 Ų064.7 Ų64.70%030%0.297CS..EExtended strand (participates in β ladder)trans-109.599.4-178.6-64.4161.3000108.4F32 M34 V55 P57 V90 L128 C203 L204 L206F32-L92 HydrophobicContact CD1-CD2 4.01Å; F32-L92 HydrophobicContact CD2-CD2 4.01Å; F32-L92 HydrophobicContact CE1-CD2 4.02Å; F32-L92 HydrophobicContact CE2-CD2 4.03Å; F32-L92 HydrophobicContact CG-CD2 4Å; F32-L92 HydrophobicContact CZ-CD2 4.02Å; M34-L92 HydrophobicContact CE-CB 4.04Å; V55-L92 HydrophobicContact CG1-CB 3.88Å; V55-L92 HydrophobicContact CG1-CD2 3.72Å; V55-L92 HydrophobicContact CG1-CG 4.37Å; P57-L92 HydrophobicContact CB-CD2 3.93Å; V90-L92 HydrophobicContact CG1-CD2 3.92Å; V90-L92 HydrophobicContact CG1-CG 4.07Å; L92-L128 HydrophobicContact CD1-CD1 3.87Å; L92-L128 HydrophobicContact CD1-CD2 3.32Å; L92-L128 HydrophobicContact CD1-CG 4.24Å; L92-C203 WeakPolarHBondContact O-CA 3.42Å; L92-L204 HydrophobicContact CB-CB 4.23Å; L92-L204 PolarHBondContact N-O 3.49Å; L92-L204 PolarHBondContact O-N 3.4Å; L92-L206 HydrophobicContact CD1-CB 4.32Å; L92-L206 HydrophobicContact CD1-CD2 4.39Å
93H90.6Very high80.5Confident45 Ų4566.3 Ų66.321%0.20831%0.306CS..EExtended strand (participates in β ladder)trans-85.9132.4-177.2-68-90.8000111V55 I56 Q91 C203V55-H93 WeakPolarHBondContact CA-O 3.22Å; I56-H93 HydrophobicContact CB-CB 4.28Å; I56-H93 PolarHBondContact N-O 3.45Å; I56-H93 PolarHBondContact O-N 3.09Å; Q91-H93 PolarHBondContact OE1-NE2 2.84Å; H93-C203 PolarHBondContact CE1-SG 3.24Å
94A91.5Very high80.8Confident0 Ų064.7 Ų64.70%030%0.302CS..EExtended strand (participates in β ladder)trans-12292.317800000108.7M34 V52 M111 I202M34-A94 HydrophobicContact CE-CB 4.44Å; M34-A94 HydrophobicContact SD-CB 3.86Å; V52-A94 HydrophobicContact CB-CB 4.39Å; V52-A94 HydrophobicContact CG1-CB 3.56Å; V52-A94 HydrophobicContact CG2-CB 3.88Å; A94-M111 HydrophobicContact CB-CE 3.64Å; A94-M111 WeakPolarHBondContact O-CE 3.48Å; A94-M111 VanDerWaalsContact O-SD 3.37Å; A94-I202 PolarHBondContact N-O 3.45Å; A94-I202 PolarHBondContact O-N 3.14Å
95P85.4Confident80.9Confident41 Ų4169.2 Ų69.227%0.26633%0.325SS..  trans-86.5-24.2-177.232-34.4000113.4I56 M111I56-P95 HydrophobicContact CD1-CG 4.19Å; P95-M111 PolarHBondContact O-N 3.01Å
96R88.2Confident80.8Confident102 Ų10269.7 Ų69.739%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-136.5148.1-171.8-67-175.4-62.7164.2-0.9110.7S53 E54 T108 Q109S53-R96 PolarHBondContact N-O 3.39Å; S53-R96 VanDerWaalsContact OG-CB 3.23Å; S53-R96 WeakPolarHBondContact OG-CB 3.47Å; S53-R96 PolarHBondContact OG-O 3.19Å; E54-R96 IonicContact OE2-NH2 2.75Å; E54-R96 PolarHBondContact OE2-NH2 3.48Å; R96-T108 HydrophobicContact CB-CG2 3.86Å; R96-Q109 CarbonylContact C-O 3.48Å; R96-Q109 VanDerWaalsContact CA-O 3.27Å; R96-Q109 WeakPolarHBondContact CA-O 3.48Å; R96-Q109 WeakPolarHBondContact CB-O 3.13Å
97Y92.8Very high81.3Confident2 Ų266.2 Ų66.21%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-143.7168.2-178.965.92.4000112F50 E51 Q109 M111 D112 F113F50-Y97 HydrophobicContact CB-CD2 3.8Å; F50-Y97 HydrophobicContact CB-CG 4.15Å; F50-Y97 HydrophobicContact CD1-CD1 4.31Å; F50-Y97 AromaticContact CD1-CD2 3.78Å; F50-Y97 HydrophobicContact CD1-CD2 3.78Å; F50-Y97 HydrophobicContact CD1-CE1 4.38Å; F50-Y97 AromaticContact CD1-CE2 3.9Å; F50-Y97 HydrophobicContact CD1-CE2 3.9Å; F50-Y97 AromaticContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD1-CG 3.99Å; F50-Y97 HydrophobicContact CD2-CD2 4.37Å; F50-Y97 HydrophobicContact CD2-CE2 4.33Å; F50-Y97 HydrophobicContact CE1-CD2 4.46Å; F50-Y97 HydrophobicContact CE1-CE1 4.45Å; F50-Y97 HydrophobicContact CE1-CE2 4.13Å; F50-Y97 AromaticContact CG-CD2 3.73Å; F50-Y97 HydrophobicContact CG-CD2 3.73Å; F50-Y97 HydrophobicContact CG-CE2 4.02Å; F50-Y97 HydrophobicContact CG-CG 4.26Å; F50-Y97 HydrophobicContact CZ-CE2 4.45Å; E51-Y97 CarbonylContact O-C 3.52Å; E51-Y97 VanDerWaalsContact O-CA 3.22Å; E51-Y97 WeakPolarHBondContact O-CA 3.23Å; Y97-Q109 HydrophobicContact CD1-CG 3.94Å; Y97-Q109 HydrophobicContact CE1-CG 3.78Å; Y97-Q109 PolarHBondContact N-O 2.86Å; Y97-Q109 PolarHBondContact O-N 3.17Å; Y97-M111 HydrophobicContact CD1-CG 4.12Å; Y97-M111 HydrophobicContact CD2-CB 4.47Å; Y97-M111 HydrophobicContact CD2-CE 4.21Å; Y97-M111 HydrophobicContact CD2-CG 3.76Å; Y97-M111 HydrophobicContact CD2-SD 4.32Å; Y97-M111 HydrophobicContact CE1-CB 4.39Å; Y97-M111 HydrophobicContact CE1-CG 4.36Å; Y97-M111 HydrophobicContact CE2-CB 4.2Å; Y97-M111 HydrophobicContact CE2-CG 3.99Å; Y97-M111 HydrophobicContact CG-CE 4.38Å; Y97-M111 HydrophobicContact CG-CG 3.84Å; Y97-D112 PolarHBondContact OH-N 2.97Å; Y97-D112 PolarHBondContact OH-OD1 2.98Å; Y97-F113 PolarHBondContact OH-N 2.92Å
98Q91.4Very high82.4Confident64 Ų6464.3 Ų64.330%0.29933%0.326SS..EExtended strand (participates in β ladder)trans-135.7136.3176.3-179.5178.9-8.500108.7F50 E51 G106F50-Q98 CarbonylContact C-O 3.58Å; F50-Q98 WeakPolarHBondContact CA-O 3.42Å; E51-Q98 PolarHBondContact N-O 3.11Å; E51-Q98 PolarHBondContact O-N 3.02Å; Q98-G106 VanDerWaalsContact NE2-CA 3.29Å
99S90.2Very high82.9Confident26 Ų2663.9 Ų63.918%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-67.7136.8176.9-167.10000111.1R101S99-R101 VanDerWaalsContact C-N 3.26Å; S99-R101 PolarHBondContact O-N 2.95Å; S99-R101 PolarHBondContact OG-N 2.82Å
100M88.6Confident83.2Confident62 Ų6270.4 Ų70.431%0.30535%0.352SS..  trans-85.74.6175.6-67.1-62.4-70.900113.4Y35 L49 E51Y35-M100 HydrophobicContact CE1-CE 4.09Å; Y35-M100 HydrophobicContact CE1-SD 4.14Å; L49-M100 HydrophobicContact CB-CB 4.26Å; L49-M100 HydrophobicContact CD2-CB 4.13Å; L49-M100 HydrophobicContact CD2-CG 4.18Å; L49-M100 HydrophobicContact CG-CB 4.08Å; L49-M100 HydrophobicContact CG-CG 3.96Å; L49-M100 WeakPolarHBondContact O-CB 3.44Å; L49-M100 PolarHBondContact O-N 3.42Å; E51-M100 HydrophobicContact CB-CG 4.26Å; E51-M100 HydrophobicContact CB-SD 3.64Å
101R82.4Confident83.2Confident125 Ų12570.7 Ų70.747%0.47235%0.353SS..  trans-74.2130.1177.6-82.1-174.167.9161.72.8110.8S99 D103 V104 P228S99-R101 VanDerWaalsContact C-N 3.26Å; S99-R101 PolarHBondContact O-N 2.95Å; S99-R101 PolarHBondContact OG-N 2.82Å; R101-D103 WeakPolarHBondContact CB-OD1 3.46Å; R101-D103 IonicContact CZ-OD1 3.59Å; R101-D103 IonicContact CZ-OD2 3.88Å; R101-D103 IonicContact NE-OD1 3.92Å; R101-D103 PolarHBondContact NE-OD1 3.1Å; R101-D103 IonicContact NE-OD2 3.58Å; R101-D103 IonicContact NH2-OD1 3.41Å; R101-D103 PolarHBondContact NH2-OD1 3.41Å; R101-D103 IonicContact NH2-OD2 2.76Å; R101-D103 PolarHBondContact NH2-OD2 2.9Å; R101-D103 PolarHBondContact O-N 2.79Å; R101-V104 HydrophobicContact CB-CB 4.18Å; R101-V104 HydrophobicContact CB-CG2 3.82Å; R101-V104 PolarHBondContact O-N 3Å; R101-P228 HydrophobicContact CG-CG 4.28Å
102R76.6Confident83.2Confident229 Ų22972.1 Ų72.186%0.86436%0.361SS*.THydrogen-bonded Turntrans-63.8-28.4179.8-64.9-176.5-177.4171.52.8113.6V104R102-V104 VanDerWaalsContact C-N 3.34Å
103D77.3Confident83.2Confident110 Ų11073 Ų7359%0.58837%0.366SS*.THydrogen-bonded Turntrans-84.1-8.4179.963.5-51.9000113.6R101R101-D103 WeakPolarHBondContact CB-OD1 3.46Å; R101-D103 IonicContact CZ-OD1 3.59Å; R101-D103 IonicContact CZ-OD2 3.88Å; R101-D103 IonicContact NE-OD1 3.92Å; R101-D103 PolarHBondContact NE-OD1 3.1Å; R101-D103 IonicContact NE-OD2 3.58Å; R101-D103 IonicContact NH2-OD1 3.41Å; R101-D103 PolarHBondContact NH2-OD1 3.41Å; R101-D103 IonicContact NH2-OD2 2.76Å; R101-D103 PolarHBondContact NH2-OD2 2.9Å; R101-D103 PolarHBondContact O-N 2.79Å
104V72Confident83.3Confident63 Ų6374.2 Ų74.238%0.38237%0.373SS..SBendtrans-99.7105.8173.8-178.60000107.6R101 R102 G106R101-V104 HydrophobicContact CB-CB 4.18Å; R101-V104 HydrophobicContact CB-CG2 3.82Å; R101-V104 PolarHBondContact O-N 3Å; R102-V104 VanDerWaalsContact C-N 3.34Å; V104-G106 PolarHBondContact O-N 2.93Å; V104-G106 VanDerWaalsContact O-N 3.09Å
105I61.6Low83.4Confident163 Ų16374.2 Ų74.284%0.83637%0.373SS*.  trans-65.7115.5177.9-62.6176.2000108.4C107I105-C107 PolarHBondContact O-N 3.38Å
106G59.6Low83.7Confident42 Ų4274.4 Ų74.443%0.43337%0.368SS..  trans-69.8103.9-164.200000115.1Q98 V104Q98-G106 VanDerWaalsContact NE2-CA 3.29Å; V104-G106 PolarHBondContact O-N 2.93Å; V104-G106 VanDerWaalsContact O-N 3.09Å
107C74.3Confident83.9Confident82 Ų8273 Ų7355%0.55437%0.372SS*.  trans-106133.515353.80000109.1I105 Q109I105-C107 PolarHBondContact O-N 3.38Å; C107-Q109 PolarHBondContact O-N 2.79Å
108T84.5Confident83.8Confident62 Ų6276.2 Ų76.238%0.3838%0.384SS..  trans-60.2125.6164.5-640000108.4S53 R96S53-T108 VanDerWaalsContact OG-CG2 3.26Å; S53-T108 WeakPolarHBondContact OG-CG2 3.48Å; R96-T108 HydrophobicContact CB-CG2 3.86Å
109Q86.6Confident83.8Confident74 Ų7478.4 Ų78.435%0.34640%0.398SS..EExtended strand (participates in β ladder)trans-128.1161.1179.164.1-176.760.700111.1R96 Y97 C107 D112R96-Q109 CarbonylContact C-O 3.48Å; R96-Q109 VanDerWaalsContact CA-O 3.27Å; R96-Q109 WeakPolarHBondContact CA-O 3.48Å; R96-Q109 WeakPolarHBondContact CB-O 3.13Å; Y97-Q109 HydrophobicContact CD1-CG 3.94Å; Y97-Q109 HydrophobicContact CE1-CG 3.78Å; Y97-Q109 PolarHBondContact N-O 2.86Å; Y97-Q109 PolarHBondContact O-N 3.17Å; C107-Q109 PolarHBondContact O-N 2.79Å; Q109-D112 VanDerWaalsContact NE2-CG 3.28Å; Q109-D112 PolarHBondContact NE2-OD1 2.84Å; Q109-D112 PolarHBondContact NE2-OD2 2.82Å
110E86.2Confident84Confident153 Ų15379 Ų7972%0.71540%0.4SS*.EExtended strand (participates in β ladder)trans-60.1146.6167-65.5-175.7166.900110.1D112E110-D112 PolarHBondContact O-N 2.89Å
111M87.5Confident84.3Confident5 Ų576.1 Ų76.13%0.02539%0.385CS..  trans-62.3132.6175.2-62-170.817900110.1I36 V52 A94 P95 Y97 L199 C200 I202I36-M111 HydrophobicContact CD1-CE 3.27Å; I36-M111 HydrophobicContact CD1-SD 4.21Å; V52-M111 HydrophobicContact CG2-CE 4.33Å; A94-M111 HydrophobicContact CB-CE 3.64Å; A94-M111 WeakPolarHBondContact O-CE 3.48Å; A94-M111 VanDerWaalsContact O-SD 3.37Å; P95-M111 PolarHBondContact O-N 3.01Å; Y97-M111 HydrophobicContact CD1-CG 4.12Å; Y97-M111 HydrophobicContact CD2-CB 4.47Å; Y97-M111 HydrophobicContact CD2-CE 4.21Å; Y97-M111 HydrophobicContact CD2-CG 3.76Å; Y97-M111 HydrophobicContact CD2-SD 4.32Å; Y97-M111 HydrophobicContact CE1-CB 4.39Å; Y97-M111 HydrophobicContact CE1-CG 4.36Å; Y97-M111 HydrophobicContact CE2-CB 4.2Å; Y97-M111 HydrophobicContact CE2-CG 3.99Å; Y97-M111 HydrophobicContact CG-CE 4.38Å; Y97-M111 HydrophobicContact CG-CG 3.84Å; M111-L199 CarbonylContact C-O 3.53Å; M111-L199 HydrophobicContact SD-CD2 4.29Å; M111-C200 WeakPolarHBondContact CB-O 3.28Å; M111-I202 HydrophobicContact SD-CG1 4.07Å
112D88.7Confident85Confident64 Ų6474 Ų7434%0.34238%0.381SS..  trans-145.116.8-171.469.8-27.1000114.2Y97 Q109 E110 I114 K198 L199Y97-D112 PolarHBondContact OH-N 2.97Å; Y97-D112 PolarHBondContact OH-OD1 2.98Å; Q109-D112 VanDerWaalsContact NE2-CG 3.28Å; Q109-D112 PolarHBondContact NE2-OD1 2.84Å; Q109-D112 PolarHBondContact NE2-OD2 2.82Å; E110-D112 PolarHBondContact O-N 2.89Å; D112-I114 PolarHBondContact O-N 2.82Å; D112-K198 WeakPolarHBondContact O-CE 3.19Å; D112-L199 WeakPolarHBondContact CA-O 3.39Å; D112-L199 PolarHBondContact N-O 3.36Å
113F91.2Very high86Confident20 Ų2064.9 Ų64.99%0.08835%0.347CS..  trans-72.3123.9-173.2-156.7-83.2000111.9F38 A48 F50 Y97 L115 I121 L199F38-F113 HydrophobicContact CB-CE1 4.36Å; F38-F113 HydrophobicContact CB-CE2 4.48Å; F38-F113 HydrophobicContact CB-CZ 3.95Å; F38-F113 AromaticContact CD1-CD1 3.84Å; F38-F113 HydrophobicContact CD1-CD1 3.84Å; F38-F113 AromaticContact CD1-CE1 3.66Å; F38-F113 HydrophobicContact CD1-CE1 3.66Å; F38-F113 HydrophobicContact CD1-CE2 4.49Å; F38-F113 HydrophobicContact CD1-CG 4.32Å; F38-F113 HydrophobicContact CD1-CZ 4.01Å; F38-F113 AromaticContact CD2-CD2 3.93Å; F38-F113 HydrophobicContact CD2-CD2 3.93Å; F38-F113 HydrophobicContact CD2-CE1 4.37Å; F38-F113 AromaticContact CD2-CE2 3.74Å; F38-F113 HydrophobicContact CD2-CE2 3.74Å; F38-F113 HydrophobicContact CD2-CG 4.32Å; F38-F113 AromaticContact CD2-CZ 3.97Å; F38-F113 HydrophobicContact CD2-CZ 3.97Å; F38-F113 HydrophobicContact CE1-CB 4.37Å; F38-F113 AromaticContact CE1-CD1 3.69Å; F38-F113 HydrophobicContact CE1-CD1 3.69Å; F38-F113 HydrophobicContact CE1-CD2 4.49Å; F38-F113 HydrophobicContact CE1-CE1 4.04Å; F38-F113 AromaticContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE1-CG 3.94Å; F38-F113 HydrophobicContact CE2-CB 4.36Å; F38-F113 HydrophobicContact CE2-CD1 4.38Å; F38-F113 AromaticContact CE2-CD2 3.73Å; F38-F113 HydrophobicContact CE2-CD2 3.73Å; F38-F113 HydrophobicContact CE2-CE2 4.05Å; F38-F113 AromaticContact CE2-CG 3.9Å; F38-F113 HydrophobicContact CE2-CG 3.9Å; F38-F113 HydrophobicContact CE2-CZ 4.5Å; F38-F113 HydrophobicContact CG-CD1 4.28Å; F38-F113 HydrophobicContact CG-CD2 4.38Å; F38-F113 AromaticContact CG-CE1 3.86Å; F38-F113 HydrophobicContact CG-CE1 3.86Å; F38-F113 AromaticContact CG-CE2 3.98Å; F38-F113 HydrophobicContact CG-CE2 3.98Å; F38-F113 AromaticContact CG-CZ 3.69Å; F38-F113 HydrophobicContact CG-CZ 3.69Å; F38-F113 HydrophobicContact CZ-CB 3.9Å; F38-F113 AromaticContact CZ-CD1 3.97Å; F38-F113 HydrophobicContact CZ-CD1 3.97Å; F38-F113 HydrophobicContact CZ-CD2 4.04Å; F38-F113 AromaticContact CZ-CG 3.7Å; F38-F113 HydrophobicContact CZ-CG 3.7Å; A48-F113 HydrophobicContact CB-CE2 4.12Å; A48-F113 HydrophobicContact CB-CZ 4.49Å; F50-F113 AromaticContact CE2-CD2 3.97Å; F50-F113 HydrophobicContact CE2-CD2 3.97Å; F50-F113 AromaticContact CE2-CE2 3.94Å; F50-F113 HydrophobicContact CE2-CE2 3.94Å; F50-F113 AromaticContact CZ-CD2 4Å; F50-F113 HydrophobicContact CZ-CD2 4Å; F50-F113 HydrophobicContact CZ-CE2 4.11Å; Y97-F113 PolarHBondContact OH-N 2.92Å; F113-L115 HydrophobicContact CD1-CD2 3.94Å; F113-L115 HydrophobicContact CE1-CD2 4.46Å; F113-L115 PolarHBondContact O-N 2.98Å; F113-I121 HydrophobicContact CE1-CD1 3.79Å; F113-L199 HydrophobicContact CB-CB 4.31Å; F113-L199 HydrophobicContact CB-CD2 4.44Å; F113-L199 WeakPolarHBondContact O-CB 3.42Å; F113-L199 PolarHBondContact O-N 2.88Å
114I93.1Very high86.9Confident69 Ų6959.7 Ų59.735%0.35432%0.32SS..EExtended strand (participates in β ladder)trans-74.4124.5175.8-60.4172.9000109.2D112 W116 R118 I196D112-I114 PolarHBondContact O-N 2.82Å; I114-W116 WeakPolarHBondContact CG2-O 3.41Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CD 3.28Å; I114-I196 HydrophobicContact CD1-CD1 4.36Å; I114-I196 HydrophobicContact CG2-CB 4.41Å
115L94Very high88.1Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-104.4-25.6-179.8-65.9179.4000113.8F38 F113 I121 I124 F157 L180 I182 F197 L199F38-L115 HydrophobicContact CD1-CD2 4.26Å; F38-L115 HydrophobicContact CE1-CD2 3.85Å; F113-L115 HydrophobicContact CD1-CD2 3.94Å; F113-L115 HydrophobicContact CE1-CD2 4.46Å; F113-L115 PolarHBondContact O-N 2.98Å; L115-I121 HydrophobicContact CD2-CD1 4.16Å; L115-I124 HydrophobicContact CD1-CD1 4.33Å; L115-I124 HydrophobicContact CD2-CD1 3.91Å; L115-F157 HydrophobicContact CB-CE2 3.74Å; L115-F157 HydrophobicContact CB-CZ 4Å; L115-F157 HydrophobicContact CD1-CZ 3.98Å; L115-L180 HydrophobicContact CD1-CD1 3.95Å; L115-I182 HydrophobicContact CD1-CG2 4.35Å; L115-F197 PolarHBondContact N-O 3.5Å; L115-L199 HydrophobicContact CD1-CB 4.03Å; L115-L199 HydrophobicContact CD1-CD1 4.28Å; L115-L199 HydrophobicContact CG-CB 4.24Å
116W91.9Very high89.9Confident46 Ų4649.4 Ų49.417%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-137.3138.9-179.8-165.685.1000109.8I114 R118 F157 L161 T195 I196 F197I114-W116 WeakPolarHBondContact CG2-O 3.41Å; W116-R118 VanDerWaalsContact CA-N 3.32Å; W116-F157 HydrophobicContact CB-CD2 3.67Å; W116-F157 HydrophobicContact CB-CE2 3.98Å; W116-F157 AromaticContact CD1-CD2 3.95Å; W116-F157 HydrophobicContact CG-CD2 4.02Å; W116-L161 HydrophobicContact CH2-CD1 4.02Å; W116-L161 HydrophobicContact CZ2-CD1 3.94Å; W116-L161 HydrophobicContact CZ3-CD2 4.42Å; W116-T195 HydrophobicContact CZ3-CG2 4.46Å; W116-T195 WeakPolarHBondContact CZ3-O 3.33Å; W116-I196 WeakPolarHBondContact O-CA 3.4Å; W116-F197 HydrophobicContact CB-CB 3.96Å; W116-F197 HydrophobicContact CB-CD2 3.72Å; W116-F197 HydrophobicContact CB-CG 4.34Å; W116-F197 HydrophobicContact CD2-CD2 4.18Å; W116-F197 HydrophobicContact CE3-CD2 4.21Å; W116-F197 AromaticContact CG-CD2 3.99Å; W116-F197 HydrophobicContact CG-CD2 3.99Å; W116-F197 PolarHBondContact N-O 3.4Å; W116-F197 PolarHBondContact O-N 2.98Å
117P90.5Very high91.6Very high73 Ų7348.6 Ų48.647%0.47425%0.25SS..SBendcis-89.43410.237-38000114.7N119P117-N119 PolarHBondContact O-N 3.1Å
118R91.1Very high92.7Very high68 Ų6845 Ų4526%0.25723%0.226SC..  trans-65.5118.1179.8-69.1-169.975.6152.91.5111.4F40 I114 W116 D120 I121 H150F40-R118 VanDerWaalsContact CE1-NH2 3.28Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CD 3.28Å; W116-R118 VanDerWaalsContact CA-N 3.32Å; R118-D120 WeakPolarHBondContact CB-OD1 3.45Å; R118-D120 IonicContact CZ-OD1 2.98Å; R118-D120 IonicContact CZ-OD2 3.94Å; R118-D120 IonicContact NE-OD1 3.49Å; R118-D120 PolarHBondContact NE-OD1 3.14Å; R118-D120 IonicContact NE-OD2 2.78Å; R118-D120 IonicContact NH2-OD1 2.98Å; R118-D120 PolarHBondContact NH2-OD1 3.41Å; R118-D120 IonicContact NH2-OD2 2.83Å; R118-D120 PolarHBondContact NH2-OD2 2.84Å; R118-I121 HydrophobicContact CB-CD1 4.14Å; R118-I121 HydrophobicContact CB-CG1 4.49Å; R118-H150 PolarHBondContact O-CE1 3.44Å
119N91.9Very high93.3Very high110 Ų11042.1 Ų42.159%0.58821%0.208SC*.  trans-104.94174.367.1-5.8000112.7K41 P117K41-N119 VanDerWaalsContact CD-O 3.31Å; K41-N119 WeakPolarHBondContact CD-O 3.32Å; K41-N119 WeakPolarHBondContact CE-O 3.38Å; K41-N119 PolarHBondContact NZ-O 2.91Å; P117-N119 PolarHBondContact O-N 3.1Å
120D94.4Very high93.6Very high40 Ų4038.6 Ų38.621%0.21419%0.191CC..SBendtrans-86.9-13.2-178.870-44.6000113.2F40 K41 K45 R118F40-D120 CarbonylContact C-O 3.55Å; F40-D120 VanDerWaalsContact CA-O 3.24Å; F40-D120 WeakPolarHBondContact CA-O 3.38Å; F40-D120 WeakPolarHBondContact CB-O 3.2Å; F40-D120 WeakPolarHBondContact CD1-OD2 3.38Å; K41-D120 PolarHBondContact N-O 2.85Å; K45-D120 IonicContact NZ-OD2 3.49Å; K45-D120 PolarHBondContact NZ-OD2 3.48Å; R118-D120 WeakPolarHBondContact CB-OD1 3.45Å; R118-D120 IonicContact CZ-OD1 2.98Å; R118-D120 IonicContact CZ-OD2 3.94Å; R118-D120 IonicContact NE-OD1 3.49Å; R118-D120 PolarHBondContact NE-OD1 3.14Å; R118-D120 IonicContact NE-OD2 2.78Å; R118-D120 IonicContact NH2-OD1 2.98Å; R118-D120 PolarHBondContact NH2-OD1 3.41Å; R118-D120 IonicContact NH2-OD2 2.83Å; R118-D120 PolarHBondContact NH2-OD2 2.84Å
121I95.6Very high93.9Very high0 Ų034.6 Ų34.60%017%0.17CC..EExtended strand (participates in β ladder)trans-83.3132.5177.9-55.6169000109.2F40 K41 F113 L115 R118 H150 Y153F40-I121 HydrophobicContact CD1-CG1 4.19Å; F40-I121 HydrophobicContact CE1-CG1 4.12Å; K41-I121 VanDerWaalsContact CE-O 3.27Å; K41-I121 WeakPolarHBondContact CE-O 3.24Å; F113-I121 HydrophobicContact CE1-CD1 3.79Å; L115-I121 HydrophobicContact CD2-CD1 4.16Å; R118-I121 HydrophobicContact CB-CD1 4.14Å; R118-I121 HydrophobicContact CB-CG1 4.49Å; I121-H150 WeakPolarHBondContact O-CB 3.36Å; I121-H150 PolarHBondContact O-CD2 2.88Å; I121-H150 VanDerWaalsContact O-CG 3.27Å; I121-Y153 WeakPolarHBondContact CG2-OH 3.5Å
122E96.3Very high94Very high82 Ų8237 Ų3738%0.38318%0.178SC..EExtended strand (participates in β ladder)trans-87.2-50.6172.1-175.3-175.1160.700110.8V39 K41 H150V39-E122 PolarHBondContact O-N 2.82Å; K41-E122 HydrophobicContact CG-CB 3.92Å; E122-H150 WeakPolarHBondContact O-CB 3.33Å; E122-H150 PolarHBondContact O-N 3.07Å
123K97.2Very high94Very high37 Ų3739.2 Ų39.216%0.16119%0.185CC..EExtended strand (participates in β ladder)trans-160.5159.6-178.860.5178.2179.8173.20112.2V39 V125 E147 F148V39-K123 HydrophobicContact CB-CG 3.99Å; V39-K123 HydrophobicContact CG2-CG 4.19Å; V39-K123 PolarHBondContact N-O 2.92Å; V39-K123 PolarHBondContact O-N 3.18Å; K123-V125 HydrophobicContact CD-CG2 3.97Å; K123-V125 HydrophobicContact CG-CG2 4.07Å; K123-E147 IonicContact NZ-OE1 3.65Å; K123-E147 PolarHBondContact NZ-OE1 3.25Å; K123-E147 IonicContact NZ-OE2 2.65Å; K123-F148 CarbonylContact C-O 3.58Å; K123-F148 WeakPolarHBondContact CA-O 3.31Å
124I97.5Very high93.7Very high1 Ų147.2 Ų47.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-99.9131.3166.6-53.2172.7000107.3I36 A37 F38 L115 E147 F148 Y153 L180 I202I36-I124 HydrophobicContact CG2-CG2 3.99Å; A37-I124 WeakPolarHBondContact O-CA 3.48Å; F38-I124 HydrophobicContact CD1-CD1 4.25Å; F38-I124 HydrophobicContact CD1-CG1 3.8Å; F38-I124 HydrophobicContact CD1-CG2 4.46Å; F38-I124 HydrophobicContact CE1-CD1 3.89Å; F38-I124 HydrophobicContact CE1-CG1 3.91Å; F38-I124 HydrophobicContact CE1-CG2 4.24Å; L115-I124 HydrophobicContact CD1-CD1 4.33Å; L115-I124 HydrophobicContact CD2-CD1 3.91Å; I124-E147 CarbonylContact O-C 3.56Å; I124-E147 WeakPolarHBondContact O-CA 3.38Å; I124-F148 HydrophobicContact CB-CB 4.4Å; I124-F148 PolarHBondContact N-O 2.81Å; I124-F148 PolarHBondContact O-N 2.79Å; I124-Y153 HydrophobicContact CD1-CE1 4.05Å; I124-Y153 HydrophobicContact CG1-CE1 4.22Å; I124-L180 HydrophobicContact CD1-CD1 3.79Å; I124-L180 HydrophobicContact CD1-CD2 4.29Å; I124-I202 HydrophobicContact CG2-CD1 4.4Å
125V97.4Very high93.4Very high5 Ų545.2 Ų45.23%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-120126.7175.7-175.80000108.5A37 V39 K123 L127 F146 E147 Y226A37-V125 HydrophobicContact CB-CB 4.4Å; A37-V125 PolarHBondContact N-O 3.37Å; A37-V125 PolarHBondContact O-N 2.86Å; V39-V125 HydrophobicContact CG2-CG2 3.97Å; K123-V125 HydrophobicContact CD-CG2 3.97Å; K123-V125 HydrophobicContact CG-CG2 4.07Å; V125-L127 HydrophobicContact CG1-CD2 4.18Å; V125-L127 HydrophobicContact CG1-CG 4.38Å; V125-F146 WeakPolarHBondContact CA-O 3.43Å; V125-E147 HydrophobicContact CG1-CG 4.36Å; V125-E147 HydrophobicContact CG2-CG 4.19Å; V125-Y226 HydrophobicContact CB-CE1 4.47Å; V125-Y226 HydrophobicContact CG2-CE1 4.23Å
126C97.6Very high93.1Very high4 Ų453.2 Ų53.23%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-106131.2171.5-54.60000109.1Y35 F146 L204Y35-C126 CarbonylContact O-C 3.55Å; Y35-C126 WeakPolarHBondContact O-CA 3.5Å; C126-F146 HydrophobicContact CB-CB 3.77Å; C126-F146 PolarHBondContact N-O 2.82Å; C126-F146 WeakPolarHBondContact O-CB 3.17Å; C126-L204 HydrophobicContact CB-CD1 3.94Å; C126-L204 HydrophobicContact CB-CD2 3.84Å; C126-L204 HydrophobicContact CB-CG 4.48Å
127L97Very high93Very high26 Ų2654.2 Ų54.214%0.13626%0.264CS..EExtended strand (participates in β ladder)trans-112.4115.5179.3-60.5165.9000107.4M34 Y35 V125 F129 L223 Y226M34-L127 CarbonylContact C-O 3.14Å; M34-L127 VanDerWaalsContact CA-O 3.28Å; M34-L127 WeakPolarHBondContact CA-O 3.24Å; Y35-L127 PolarHBondContact N-O 2.95Å; Y35-L127 PolarHBondContact O-N 3.34Å; V125-L127 HydrophobicContact CG1-CD2 4.18Å; V125-L127 HydrophobicContact CG1-CG 4.38Å; L127-F129 HydrophobicContact CB-CE2 3.73Å; L127-F129 HydrophobicContact CB-CZ 4.24Å; L127-L223 HydrophobicContact CD1-CD2 3.57Å; L127-Y226 HydrophobicContact CD1-CD2 3.87Å; L127-Y226 HydrophobicContact CD1-CE2 3.91Å; L127-Y226 HydrophobicContact CD2-CE2 4.39Å
128L96.9Very high93Very high7 Ų755.1 Ų55.14%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-106.1131-179.1-179.368.2000109.6F32 M34 L92 V142 F146 L204 L206F32-L128 HydrophobicContact CD1-CD1 4.1Å; M34-L128 HydrophobicContact CB-CD1 4.48Å; M34-L128 HydrophobicContact CE-CD1 4.2Å; L92-L128 HydrophobicContact CD1-CD1 3.87Å; L92-L128 HydrophobicContact CD1-CD2 3.32Å; L92-L128 HydrophobicContact CD1-CG 4.24Å; L128-V142 HydrophobicContact CB-CB 4.39Å; L128-V142 HydrophobicContact CB-CG2 4.49Å; L128-V142 HydrophobicContact CD2-CB 4.08Å; L128-V142 HydrophobicContact CD2-CG1 4.26Å; L128-V142 HydrophobicContact CD2-CG2 3.88Å; L128-V142 HydrophobicContact CG-CB 4.21Å; L128-V142 HydrophobicContact CG-CG2 3.85Å; L128-V142 PolarHBondContact O-N 2.82Å; L128-F146 HydrophobicContact CB-CD2 4.36Å; L128-F146 HydrophobicContact CB-CE2 3.96Å; L128-F146 HydrophobicContact CD2-CE2 4.04Å; L128-F146 HydrophobicContact CD2-CZ 4.35Å; L128-L204 HydrophobicContact CB-CD1 4.39Å; L128-L206 HydrophobicContact CD2-CD2 3.93Å
129F95.8Very high93.2Very high1 Ų154 Ų540%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-123.5147.9173.3-52.8-100.7000108.8F32 K33 Y35 L127 F139 R140 P141 I219 H222F32-F129 WeakPolarHBondContact CA-O 3.41Å; K33-F129 HydrophobicContact CB-CB 4.27Å; K33-F129 PolarHBondContact N-O 3.37Å; K33-F129 PolarHBondContact O-N 3.17Å; Y35-F129 HydrophobicContact CD2-CD2 4.03Å; Y35-F129 AromaticContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CD2-CE2 3.68Å; Y35-F129 HydrophobicContact CE2-CD2 4.27Å; Y35-F129 HydrophobicContact CE2-CE2 4.1Å; L127-F129 HydrophobicContact CB-CE2 3.73Å; L127-F129 HydrophobicContact CB-CZ 4.24Å; F129-F139 HydrophobicContact CB-CB 4Å; F129-F139 HydrophobicContact CB-CD1 4.29Å; F129-R140 CarbonylContact C-O 3.56Å; F129-R140 WeakPolarHBondContact CA-O 3.46Å; F129-R140 WeakPolarHBondContact CB-O 3.4Å; F129-P141 VanDerWaalsContact CD1-CA 3.47Å; F129-P141 HydrophobicContact CD1-CB 3.91Å; F129-P141 HydrophobicContact CE1-CB 3.83Å; F129-I219 HydrophobicContact CD1-CG1 3.58Å; F129-I219 HydrophobicContact CD2-CG1 4.3Å; F129-I219 HydrophobicContact CE1-CB 4.17Å; F129-I219 HydrophobicContact CE1-CG1 3.71Å; F129-I219 HydrophobicContact CE2-CG1 4.39Å; F129-I219 HydrophobicContact CG-CG1 3.92Å; F129-I219 HydrophobicContact CZ-CB 4.33Å; F129-I219 HydrophobicContact CZ-CG1 4.11Å; F129-I219 HydrophobicContact CZ-CG2 4.3Å; F129-H222 HydrophobicContact CE1-CB 4.09Å; F129-H222 HydrophobicContact CZ-CB 3.81Å
130S94.1Very high93.3Very high0 Ų053.8 Ų53.80%026%0.258CS..EExtended strand (participates in β ladder)trans-139.8160.7172.667.50000111.2D31 R140 W214D31-S130 VanDerWaalsContact O-CA 3.23Å; D31-S130 WeakPolarHBondContact O-CA 3.28Å; S130-R140 PolarHBondContact N-O 3.15Å; S130-R140 PolarHBondContact O-N 3.11Å; S130-W214 PolarHBondContact O-NE1 3.37Å; S130-W214 PolarHBondContact OG-NE1 3.09Å
131R92.1Very high93.4Very high69 Ų6952.1 Ų52.126%0.2625%0.249SC..EExtended strand (participates in β ladder)trans-145.5162.5167.662.8174.4-171.8178.92.4108.4F30 D31 K133 S135 E137 F139F30-R131 CarbonylContact C-O 3.59Å; F30-R131 WeakPolarHBondContact CA-O 3.39Å; F30-R131 WeakPolarHBondContact CB-O 3.33Å; F30-R131 WeakPolarHBondContact CD1-O 3.38Å; D31-R131 HydrophobicContact CB-CG 3.92Å; D31-R131 PolarHBondContact N-O 2.93Å; D31-R131 PolarHBondContact O-N 3.37Å; D31-R131 VanDerWaalsContact O-N 3.07Å; D31-R131 IonicContact OD2-CZ 3.67Å; D31-R131 IonicContact OD2-NE 2.75Å; D31-R131 PolarHBondContact OD2-NE 3.46Å; D31-R131 VanDerWaalsContact OD2-NE 3.1Å; D31-R131 IonicContact OD2-NH2 3.75Å; D31-R131 PolarHBondContact OD2-NH2 2.77Å; R131-K133 PolarHBondContact O-N 3.07Å; R131-S135 PolarHBondContact NH1-O 2.97Å; R131-E137 VanDerWaalsContact CD-O 3.28Å; R131-E137 WeakPolarHBondContact CD-O 3.18Å; R131-F139 HydrophobicContact CB-CD1 4.4Å; R131-F139 HydrophobicContact CG-CD1 3.97Å; R131-F139 HydrophobicContact CG-CE1 3.82Å; R131-F139 HydrophobicContact CG-CE2 4.39Å; R131-F139 HydrophobicContact CG-CG 4.32Å; R131-F139 HydrophobicContact CG-CZ 4.04Å
132W90Very high93.3Very high54 Ų5452.6 Ų52.621%0.20525%0.252CS..EExtended strand (participates in β ladder)trans-59133.4168.8-66.2105.4000109.9L15 Q29 F30 S135 W214L15-W132 HydrophobicContact CD2-CH2 4.11Å; L15-W132 HydrophobicContact CD2-CZ3 3.92Å; Q29-W132 HydrophobicContact CB-CE3 4.29Å; Q29-W132 HydrophobicContact CB-CZ3 4.1Å; F30-W132 HydrophobicContact CD1-CD2 4.41Å; F30-W132 HydrophobicContact CD1-CE3 4.21Å; F30-W132 AromaticContact CE1-CD2 3.72Å; F30-W132 HydrophobicContact CE1-CD2 3.72Å; F30-W132 AromaticContact CE1-CE2 3.89Å; F30-W132 AromaticContact CE1-CE3 3.58Å; F30-W132 HydrophobicContact CE1-CE3 3.58Å; F30-W132 HydrophobicContact CE1-CG 4.43Å; F30-W132 AromaticContact CE1-CH2 3.84Å; F30-W132 HydrophobicContact CE1-CH2 3.84Å; F30-W132 AromaticContact CE1-CZ2 3.96Å; F30-W132 HydrophobicContact CE1-CZ2 3.96Å; F30-W132 AromaticContact CE1-CZ3 3.65Å; F30-W132 HydrophobicContact CE1-CZ3 3.65Å; F30-W132 HydrophobicContact CE2-CE3 4.47Å; F30-W132 HydrophobicContact CE2-CH2 4.34Å; F30-W132 AromaticContact CE2-CZ3 3.97Å; F30-W132 HydrophobicContact CE2-CZ3 3.97Å; F30-W132 HydrophobicContact CZ-CD2 4.25Å; F30-W132 AromaticContact CZ-CE3 3.76Å; F30-W132 HydrophobicContact CZ-CE3 3.76Å; F30-W132 AromaticContact CZ-CH2 3.4Å; F30-W132 HydrophobicContact CZ-CH2 3.4Å; F30-W132 VanDerWaalsContact CZ-CH2 3.4Å; F30-W132 AromaticContact CZ-CZ2 3.92Å; F30-W132 HydrophobicContact CZ-CZ2 3.92Å; F30-W132 AromaticContact CZ-CZ3 3.31Å; F30-W132 HydrophobicContact CZ-CZ3 3.31Å; W132-S135 WeakPolarHBondContact O-CB 3.39Å; W132-S135 PolarHBondContact O-N 3.09Å; W132-W214 AromaticContact CD1-CH2 3.96Å; W132-W214 HydrophobicContact CD2-CH2 4.49Å; W132-W214 AromaticContact CE2-CH2 3.66Å; W132-W214 AromaticContact CZ2-CH2 3.95Å; W132-W214 HydrophobicContact CZ2-CH2 3.95Å; W132-W214 AromaticContact NE1-CH2 3.28Å; W132-W214 VanDerWaalsContact NE1-CH2 3.28Å; W132-W214 AromaticContact NE1-CZ3 3.91Å
133K88Confident93.1Very high111 Ų11154.8 Ų54.848%0.48326%0.263SS..THydrogen-bonded Turntrans-58.5144.9171.5-164171.1-175.6175.70109.2D28 Q29 R131 S135D28-K133 WeakPolarHBondContact O-CD 3.32Å; Q29-K133 WeakPolarHBondContact O-CB 3.38Å; Q29-K133 PolarHBondContact O-N 3.2Å; R131-K133 PolarHBondContact O-N 3.07Å; K133-S135 PolarHBondContact O-N 3.04Å; K133-S135 VanDerWaalsContact O-N 3.09Å
134E85.4Confident92.9Very high188 Ų18854.5 Ų54.588%0.87927%0.267SS*.THydrogen-bonded Turntrans61.113.2-176.5-54.6173.8-175.100114.7
135S86.7Confident92.7Very high27 Ų2761.3 Ų61.319%0.18930%0.296CS..  trans-96.1138173.2-170.50000111.3R131 W132 K133 E137R131-S135 PolarHBondContact NH1-O 2.97Å; W132-S135 WeakPolarHBondContact O-CB 3.39Å; W132-S135 PolarHBondContact O-N 3.09Å; K133-S135 PolarHBondContact O-N 3.04Å; K133-S135 VanDerWaalsContact O-N 3.09Å; S135-E137 PolarHBondContact O-N 3.27Å; S135-E137 WeakPolarHBondContact OG-CB 3.47Å; S135-E137 WeakPolarHBondContact OG-CG 3.23Å; S135-E137 PolarHBondContact OG-N 2.93Å
136D88.6Confident92.6Very high169 Ų16961.3 Ų61.390%0.90430%0.296SS*.  trans-76.4-1.4168.6-62.1-38.7000112.6
137E88.3Confident92.6Very high66 Ų6662.5 Ų62.531%0.30830%0.301SS..SBendtrans-62.7145174.8-71.5-170-150.800111.1R131 S135 R140R131-E137 VanDerWaalsContact CD-O 3.28Å; R131-E137 WeakPolarHBondContact CD-O 3.18Å; S135-E137 PolarHBondContact O-N 3.27Å; S135-E137 WeakPolarHBondContact OG-CB 3.47Å; S135-E137 WeakPolarHBondContact OG-CG 3.23Å; S135-E137 PolarHBondContact OG-N 2.93Å; E137-R140 IonicContact OE2-CZ 3.55Å; E137-R140 IonicContact OE2-NE 3.52Å; E137-R140 IonicContact OE2-NH2 2.85Å; E137-R140 PolarHBondContact OE2-NH2 2.81Å
138P92Very high92.6Very high93 Ų9361.3 Ų61.360%0.60430%0.295SS*.PPolyproline II helixtrans-65.7152.9176.228.6-35000110.9R140P138-R140 PolarHBondContact O-N 3.17Å
139F94.4Very high92.6Very high43 Ų4364.8 Ų64.819%0.18931%0.311CS..PPolyproline II helixtrans-58.1130.3168.2-78.6-86.4000110.5D31 K33 F129 R131 I219D31-F139 HydrophobicContact CB-CE1 3.87Å; D31-F139 HydrophobicContact CB-CZ 3.85Å; K33-F139 HydrophobicContact CB-CD1 3.71Å; K33-F139 HydrophobicContact CB-CE1 3.75Å; K33-F139 HydrophobicContact CB-CG 4.19Å; K33-F139 HydrophobicContact CB-CZ 4.26Å; K33-F139 HydrophobicContact CD-CD2 4.44Å; F129-F139 HydrophobicContact CB-CB 4Å; F129-F139 HydrophobicContact CB-CD1 4.29Å; R131-F139 HydrophobicContact CB-CD1 4.4Å; R131-F139 HydrophobicContact CG-CD1 3.97Å; R131-F139 HydrophobicContact CG-CE1 3.82Å; R131-F139 HydrophobicContact CG-CE2 4.39Å; R131-F139 HydrophobicContact CG-CG 4.32Å; R131-F139 HydrophobicContact CG-CZ 4.04Å; F139-I219 HydrophobicContact CB-CD1 3.69Å; F139-I219 HydrophobicContact CB-CG1 4.29Å; F139-I219 HydrophobicContact CG-CD1 4.4Å
140R94.2Very high92.7Very high106 Ų10665 Ų6540%0.431%0.312SS..EExtended strand (participates in β ladder)trans-113.3144.4177.7-60.1-173.2-164.7-158.17.1110.5F129 S130 E137 P138 V142 W214F129-R140 CarbonylContact C-O 3.56Å; F129-R140 WeakPolarHBondContact CA-O 3.46Å; F129-R140 WeakPolarHBondContact CB-O 3.4Å; S130-R140 PolarHBondContact N-O 3.15Å; S130-R140 PolarHBondContact O-N 3.11Å; E137-R140 IonicContact OE2-CZ 3.55Å; E137-R140 IonicContact OE2-NE 3.52Å; E137-R140 IonicContact OE2-NH2 2.85Å; E137-R140 PolarHBondContact OE2-NH2 2.81Å; P138-R140 PolarHBondContact O-N 3.17Å; R140-V142 PolarHBondContact O-N 3.4Å; R140-W214 HydrophobicContact CB-CB 3.8Å; R140-W214 HydrophobicContact CB-CD2 4.45Å; R140-W214 HydrophobicContact CB-CG 3.64Å; R140-W214 HydrophobicContact CG-CG 4.49Å
141P95.5Very high92.7Very high5 Ų566.6 Ų66.63%0.03233%0.328CS..EExtended strand (participates in β ladder)trans-62.8130.7179.227.4-37.5000110.4F129 W214 A215 G217F129-P141 VanDerWaalsContact CD1-CA 3.47Å; F129-P141 HydrophobicContact CD1-CB 3.91Å; F129-P141 HydrophobicContact CE1-CB 3.83Å; P141-W214 CarbonylContact O-C 3.55Å; P141-W214 VanDerWaalsContact O-CA 3.24Å; P141-W214 WeakPolarHBondContact O-CA 3.33Å; P141-A215 HydrophobicContact CB-CB 4.29Å; P141-A215 HydrophobicContact CG-CB 3.8Å; P141-A215 WeakPolarHBondContact CG-O 3.47Å; P141-A215 PolarHBondContact O-N 3.44Å; P141-G217 WeakPolarHBondContact CD-O 3.42Å
142V94.6Very high92.8Very high10 Ų1065.4 Ų65.46%0.06133%0.327CS..BIsolated β-bridgetrans-72134.3170.8176.90000108.3L128 R140 A144 L206L128-V142 HydrophobicContact CB-CB 4.39Å; L128-V142 HydrophobicContact CB-CG2 4.49Å; L128-V142 HydrophobicContact CD2-CB 4.08Å; L128-V142 HydrophobicContact CD2-CG1 4.26Å; L128-V142 HydrophobicContact CD2-CG2 3.88Å; L128-V142 HydrophobicContact CG-CB 4.21Å; L128-V142 HydrophobicContact CG-CG2 3.85Å; L128-V142 PolarHBondContact O-N 2.82Å; R140-V142 PolarHBondContact O-N 3.4Å; V142-A144 HydrophobicContact CG1-CB 4.1Å; V142-A144 PolarHBondContact O-N 2.94Å; V142-L206 HydrophobicContact CG1-CD1 3.95Å; V142-L206 HydrophobicContact CG1-CD2 4.01Å
143Q92.4Very high93Very high129 Ų12962.9 Ų62.960%0.60332%0.317SS*.SBendtrans-77.259.5-178.8-164.4-178.3-0.700111.8H213Q143-H213 HydrophobicContact CB-CB 4.25Å; Q143-H213 WeakPolarHBondContact CB-O 3.3Å; Q143-H213 PolarHBondContact N-O 2.84Å
144A92.2Very high93.2Very high30 Ų3060.4 Ų60.425%0.24831%0.308CS..  trans-138.8146.3178.900000110.7V142 F146 L206V142-A144 HydrophobicContact CG1-CB 4.1Å; V142-A144 PolarHBondContact O-N 2.94Å; A144-F146 HydrophobicContact CB-CD2 4.44Å; A144-F146 HydrophobicContact CB-CE2 3.62Å; A144-F146 HydrophobicContact CB-CZ 3.74Å; A144-L206 HydrophobicContact CB-CD1 3.57Å
145K92.8Very high93.6Very high144 Ų14458.3 Ų58.363%0.62630%0.296SS*.  trans-106.4115.2-176.3-169.7178.2178.8-166.10111E147K145-E147 WeakPolarHBondContact CE-OE1 3.44Å; K145-E147 WeakPolarHBondContact CE-OE2 3.3Å; K145-E147 HydrophobicContact CG-CG 4.13Å; K145-E147 IonicContact NZ-OE1 2.81Å; K145-E147 IonicContact NZ-OE2 3.81Å; K145-E147 PolarHBondContact NZ-OE2 3.33Å
146F96.7Very high93.8Very high5 Ų559.6 Ų59.62%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-115.491.1179.2-57.8-73.4000110.3V125 C126 L128 A144 S177 V178 L204 L206V125-F146 WeakPolarHBondContact CA-O 3.43Å; C126-F146 HydrophobicContact CB-CB 3.77Å; C126-F146 PolarHBondContact N-O 2.82Å; C126-F146 WeakPolarHBondContact O-CB 3.17Å; L128-F146 HydrophobicContact CB-CD2 4.36Å; L128-F146 HydrophobicContact CB-CE2 3.96Å; L128-F146 HydrophobicContact CD2-CE2 4.04Å; L128-F146 HydrophobicContact CD2-CZ 4.35Å; A144-F146 HydrophobicContact CB-CD2 4.44Å; A144-F146 HydrophobicContact CB-CE2 3.62Å; A144-F146 HydrophobicContact CB-CZ 3.74Å; F146-S177 WeakPolarHBondContact CD1-O 3.19Å; F146-V178 HydrophobicContact CB-CG2 3.69Å; F146-V178 HydrophobicContact CD1-CG2 4.08Å; F146-V178 HydrophobicContact CG-CG2 4.4Å; F146-L204 HydrophobicContact CB-CD1 4.44Å; F146-L204 HydrophobicContact CB-CD2 4.14Å; F146-L204 HydrophobicContact CD1-CB 4.09Å; F146-L204 HydrophobicContact CD1-CD1 4.1Å; F146-L204 HydrophobicContact CD1-CD2 3.9Å; F146-L204 HydrophobicContact CD1-CG 4.26Å; F146-L204 HydrophobicContact CD2-CD1 3.85Å; F146-L204 HydrophobicContact CE1-CB 3.86Å; F146-L204 HydrophobicContact CE1-CD1 4.28Å; F146-L204 HydrophobicContact CE1-CG 4.46Å; F146-L204 HydrophobicContact CE2-CD1 4.03Å; F146-L204 HydrophobicContact CG-CD1 3.87Å; F146-L204 HydrophobicContact CG-CD2 4.06Å; F146-L204 HydrophobicContact CG-CG 4.44Å; F146-L204 HydrophobicContact CZ-CB 4.27Å; F146-L204 HydrophobicContact CZ-CD1 4.23Å; F146-L206 HydrophobicContact CZ-CB 4.33Å; F146-L206 HydrophobicContact CZ-CD1 3.85Å
147E97.3Very high93.9Very high30 Ų3051.5 Ų51.514%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-127.8142.5177.3-63.1-169.3155.200110.8K123 I124 V125 K145 H149 N173K123-E147 IonicContact NZ-OE1 3.65Å; K123-E147 PolarHBondContact NZ-OE1 3.25Å; K123-E147 IonicContact NZ-OE2 2.65Å; I124-E147 CarbonylContact O-C 3.56Å; I124-E147 WeakPolarHBondContact O-CA 3.38Å; V125-E147 HydrophobicContact CG1-CG 4.36Å; V125-E147 HydrophobicContact CG2-CG 4.19Å; K145-E147 WeakPolarHBondContact CE-OE1 3.44Å; K145-E147 WeakPolarHBondContact CE-OE2 3.3Å; K145-E147 HydrophobicContact CG-CG 4.13Å; K145-E147 IonicContact NZ-OE1 2.81Å; K145-E147 IonicContact NZ-OE2 3.81Å; K145-E147 PolarHBondContact NZ-OE2 3.33Å; E147-H149 IonicContact OE2-NE2 3.39Å; E147-N173 PolarHBondContact O-ND2 3.07Å
148F97.3Very high93.9Very high1 Ų153 Ų530%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-133.1106173.9-156.3162.8000109.5K123 I124 D152 Y153 V171 N172 N173 V178 L180K123-F148 CarbonylContact C-O 3.58Å; K123-F148 WeakPolarHBondContact CA-O 3.31Å; I124-F148 HydrophobicContact CB-CB 4.4Å; I124-F148 PolarHBondContact N-O 2.81Å; I124-F148 PolarHBondContact O-N 2.79Å; F148-D152 HydrophobicContact CD2-CB 4.14Å; F148-D152 HydrophobicContact CE2-CB 3.77Å; F148-Y153 AromaticContact CD2-CD1 3.87Å; F148-Y153 HydrophobicContact CD2-CD1 3.87Å; F148-Y153 HydrophobicContact CE2-CD1 4.16Å; F148-Y153 HydrophobicContact CE2-CG 4.37Å; F148-Y153 HydrophobicContact CG-CD1 4.11Å; F148-V171 HydrophobicContact CE1-CG2 4.05Å; F148-V171 HydrophobicContact CZ-CB 4.47Å; F148-V171 HydrophobicContact CZ-CG2 4.23Å; F148-N172 VanDerWaalsContact CE1-C 3.43Å; F148-N172 WeakPolarHBondContact CZ-O 3.01Å; F148-N173 HydrophobicContact CB-CB 4.17Å; F148-N173 HydrophobicContact CD1-CB 4.07Å; F148-N173 HydrophobicContact CD2-CB 3.7Å; F148-N173 HydrophobicContact CE1-CB 4.39Å; F148-N173 HydrophobicContact CE2-CB 4.03Å; F148-N173 HydrophobicContact CG-CB 3.73Å; F148-N173 HydrophobicContact CZ-CB 4.37Å; F148-V178 HydrophobicContact CB-CG1 4.44Å; F148-V178 HydrophobicContact CD1-CB 4.46Å; F148-V178 HydrophobicContact CD1-CG1 4.23Å; F148-L180 HydrophobicContact CD1-CD1 3.49Å; F148-L180 VanDerWaalsContact CD1-CD1 3.49Å; F148-L180 HydrophobicContact CD1-CD2 4.23Å; F148-L180 HydrophobicContact CD1-CG 3.63Å; F148-L180 HydrophobicContact CE1-CD1 3.58Å; F148-L180 HydrophobicContact CE1-CG 3.69Å; F148-L180 HydrophobicContact CG-CD1 4.42Å
149H97.3Very high93.7Very high79 Ų7953.8 Ų53.837%0.36626%0.261SS..EExtended strand (participates in β ladder)trans-74.1146.3-179-73.2-83.1000112.2E147 G151 D152 Y153E147-H149 IonicContact OE2-NE2 3.39Å; H149-G151 VanDerWaalsContact C-N 3.33Å; H149-G151 PolarHBondContact O-N 3.13Å; H149-D152 PolarHBondContact O-N 3.2Å; H149-Y153 VanDerWaalsContact O-CD1 3.28Å; H149-Y153 WeakPolarHBondContact O-CD1 3.49Å; H149-Y153 PolarHBondContact O-N 3.24Å
150H96.6Very high93.2Very high7 Ų752.3 Ų52.33%0.03226%0.255CS..Hα-helixtrans-56.6-43.7-178.4172.257.6000114K41 R118 I121 E122 D152 Y153 E154K41-H150 PolarHBondContact NZ-CD2 2.71Å; R118-H150 PolarHBondContact O-CE1 3.44Å; I121-H150 WeakPolarHBondContact O-CB 3.36Å; I121-H150 PolarHBondContact O-CD2 2.88Å; I121-H150 VanDerWaalsContact O-CG 3.27Å; E122-H150 WeakPolarHBondContact O-CB 3.33Å; E122-H150 PolarHBondContact O-N 3.07Å; H150-D152 PolarHBondContact O-N 3.22Å; H150-Y153 VanDerWaalsContact CA-CZ 3.43Å; H150-Y153 HydrophobicContact CB-CE1 4.13Å; H150-Y153 HydrophobicContact CB-CE2 4.42Å; H150-Y153 AromaticContact CG-CZ 3.99Å; H150-Y153 AromaticContact ND1-CE2 3.26Å; H150-Y153 VanDerWaalsContact ND1-CE2 3.26Å; H150-Y153 WeakPolarHBondContact ND1-CE2 3.27Å; H150-Y153 AromaticContact ND1-CZ 3.41Å; H150-Y153 PolarHBondContact ND1-OH 3.36Å; H150-Y153 VanDerWaalsContact ND1-OH 3.16Å; H150-E154 IonicContact CE1-OE2 3.1Å; H150-E154 IonicContact NE2-OE2 2.86Å; H150-E154 WeakPolarHBondContact O-CB 3.13Å; H150-E154 PolarHBondContact O-N 2.87Å
151G94.5Very high92.7Very high33 Ų3349.4 Ų49.434%0.3425%0.247SC..Hα-helixtrans-62.1-23.8178.400000114H149 K155H149-G151 VanDerWaalsContact C-N 3.33Å; H149-G151 PolarHBondContact O-N 3.13Å; G151-K155 VanDerWaalsContact O-CD 3.32Å; G151-K155 WeakPolarHBondContact O-CD 3.42Å; G151-K155 WeakPolarHBondContact O-CG 3.43Å; G151-K155 PolarHBondContact O-N 3.14Å
152D94.6Very high91.8Very high44 Ų4453.8 Ų53.824%0.23528%0.278CS..Hα-helixtrans-83.9-45.8-177.9-63.7-34.2000112.1F148 H149 H150 Q156 P174F148-D152 HydrophobicContact CD2-CB 4.14Å; F148-D152 HydrophobicContact CE2-CB 3.77Å; H149-D152 PolarHBondContact O-N 3.2Å; H150-D152 PolarHBondContact O-N 3.22Å; D152-Q156 PolarHBondContact O-NE2 2.7Å; D152-P174 HydrophobicContact CB-CG 4.33Å
153Y93.6Very high91Very high0 Ų059.1 Ų59.10%030%0.297CS..Hα-helixtrans-74.4-29.9175.561.1-111000111.9I121 I124 F148 H149 H150 Q156 F157I121-Y153 WeakPolarHBondContact CG2-OH 3.5Å; I124-Y153 HydrophobicContact CD1-CE1 4.05Å; I124-Y153 HydrophobicContact CG1-CE1 4.22Å; F148-Y153 AromaticContact CD2-CD1 3.87Å; F148-Y153 HydrophobicContact CD2-CD1 3.87Å; F148-Y153 HydrophobicContact CE2-CD1 4.16Å; F148-Y153 HydrophobicContact CE2-CG 4.37Å; F148-Y153 HydrophobicContact CG-CD1 4.11Å; H149-Y153 VanDerWaalsContact O-CD1 3.28Å; H149-Y153 WeakPolarHBondContact O-CD1 3.49Å; H149-Y153 PolarHBondContact O-N 3.24Å; H150-Y153 VanDerWaalsContact CA-CZ 3.43Å; H150-Y153 HydrophobicContact CB-CE1 4.13Å; H150-Y153 HydrophobicContact CB-CE2 4.42Å; H150-Y153 AromaticContact CG-CZ 3.99Å; H150-Y153 AromaticContact ND1-CE2 3.26Å; H150-Y153 VanDerWaalsContact ND1-CE2 3.26Å; H150-Y153 WeakPolarHBondContact ND1-CE2 3.27Å; H150-Y153 AromaticContact ND1-CZ 3.41Å; H150-Y153 PolarHBondContact ND1-OH 3.36Å; H150-Y153 VanDerWaalsContact ND1-OH 3.16Å; Y153-Q156 WeakPolarHBondContact O-CB 3.34Å; Y153-Q156 PolarHBondContact O-N 3.03Å; Y153-F157 AromaticContact CD2-CD2 3.97Å; Y153-F157 HydrophobicContact CD2-CD2 3.97Å; Y153-F157 AromaticContact CD2-CE2 3.41Å; Y153-F157 HydrophobicContact CD2-CE2 3.41Å; Y153-F157 VanDerWaalsContact CD2-CE2 3.41Å; Y153-F157 AromaticContact CD2-CZ 3.74Å; Y153-F157 HydrophobicContact CD2-CZ 3.74Å; Y153-F157 AromaticContact CE2-CE2 3.92Å; Y153-F157 HydrophobicContact CE2-CE2 3.92Å; Y153-F157 HydrophobicContact CE2-CZ 4.48Å; Y153-F157 HydrophobicContact CG-CE2 4.38Å; Y153-F157 HydrophobicContact CG-CZ 4.3Å; Y153-F157 WeakPolarHBondContact O-CD1 3.36Å; Y153-F157 VanDerWaalsContact O-CG 3.25Å; Y153-F157 WeakPolarHBondContact O-CG 3.38Å; Y153-F157 PolarHBondContact O-N 3.18Å
154E93.4Very high90.2Very high60 Ų6062.6 Ų62.628%0.2831%0.31SS..Hα-helixtrans-63.2-43.2176.8-177.8175-139.600111.5H150 Q156 F157 L158H150-E154 IonicContact CE1-OE2 3.1Å; H150-E154 IonicContact NE2-OE2 2.86Å; H150-E154 WeakPolarHBondContact O-CB 3.13Å; H150-E154 PolarHBondContact O-N 2.87Å; E154-Q156 VanDerWaalsContact C-N 3.25Å; E154-Q156 PolarHBondContact O-N 2.81Å; E154-F157 PolarHBondContact O-N 3.31Å; E154-F157 VanDerWaalsContact O-N 3.14Å; E154-L158 WeakPolarHBondContact O-CG 3.5Å; E154-L158 PolarHBondContact O-N 3.46Å
155K91.8Very high89.2Confident143 Ų14365.4 Ų65.462%0.62232%0.321SS*.Hα-helixtrans-55.8-41.9172.9-74.3168.2-171.4170.60111.9G151 H159G151-K155 VanDerWaalsContact O-CD 3.32Å; G151-K155 WeakPolarHBondContact O-CD 3.42Å; G151-K155 WeakPolarHBondContact O-CG 3.43Å; G151-K155 PolarHBondContact O-N 3.14Å; K155-H159 PolarHBondContact O-N 3.16Å
156Q91.7Very high88.4Confident54 Ų5465 Ų6525%0.25232%0.319SS..Hα-helixtrans-68.4-40.8177-69.5176.668.800111.7D152 Y153 E154 L158 H159 V160 V171 N172D152-Q156 PolarHBondContact O-NE2 2.7Å; Y153-Q156 WeakPolarHBondContact O-CB 3.34Å; Y153-Q156 PolarHBondContact O-N 3.03Å; E154-Q156 VanDerWaalsContact C-N 3.25Å; E154-Q156 PolarHBondContact O-N 2.81Å; Q156-L158 PolarHBondContact O-N 3.35Å; Q156-H159 WeakPolarHBondContact O-CB 3.31Å; Q156-H159 PolarHBondContact O-N 2.72Å; Q156-V160 VanDerWaalsContact O-CG2 3.29Å; Q156-V160 WeakPolarHBondContact O-CG2 3.26Å; Q156-V160 PolarHBondContact O-N 3.17Å; Q156-V171 HydrophobicContact CB-CB 4.25Å; Q156-V171 HydrophobicContact CB-CG1 3.75Å; Q156-V171 VanDerWaalsContact OE1-CB 3.26Å; Q156-N172 PolarHBondContact NE2-O 3.21Å
157F91Very high87.5Confident0 Ų069.4 Ų69.40%035%0.347CS..Hα-helixtrans-61.3-43.7175-65.9-9.2000111.9L115 W116 Y153 E154 H159 V160 L161 V171 I182 F197L115-F157 HydrophobicContact CB-CE2 3.74Å; L115-F157 HydrophobicContact CB-CZ 4Å; L115-F157 HydrophobicContact CD1-CZ 3.98Å; W116-F157 HydrophobicContact CB-CD2 3.67Å; W116-F157 HydrophobicContact CB-CE2 3.98Å; W116-F157 AromaticContact CD1-CD2 3.95Å; W116-F157 HydrophobicContact CG-CD2 4.02Å; Y153-F157 AromaticContact CD2-CD2 3.97Å; Y153-F157 HydrophobicContact CD2-CD2 3.97Å; Y153-F157 AromaticContact CD2-CE2 3.41Å; Y153-F157 HydrophobicContact CD2-CE2 3.41Å; Y153-F157 VanDerWaalsContact CD2-CE2 3.41Å; Y153-F157 AromaticContact CD2-CZ 3.74Å; Y153-F157 HydrophobicContact CD2-CZ 3.74Å; Y153-F157 AromaticContact CE2-CE2 3.92Å; Y153-F157 HydrophobicContact CE2-CE2 3.92Å; Y153-F157 HydrophobicContact CE2-CZ 4.48Å; Y153-F157 HydrophobicContact CG-CE2 4.38Å; Y153-F157 HydrophobicContact CG-CZ 4.3Å; Y153-F157 WeakPolarHBondContact O-CD1 3.36Å; Y153-F157 VanDerWaalsContact O-CG 3.25Å; Y153-F157 WeakPolarHBondContact O-CG 3.38Å; Y153-F157 PolarHBondContact O-N 3.18Å; E154-F157 PolarHBondContact O-N 3.31Å; E154-F157 VanDerWaalsContact O-N 3.14Å; F157-H159 VanDerWaalsContact C-N 3.28Å; F157-H159 PolarHBondContact O-N 3.03Å; F157-V160 CarbonylContact O-C 3.55Å; F157-V160 PolarHBondContact O-N 3.04Å; F157-V160 VanDerWaalsContact O-N 3.09Å; F157-L161 WeakPolarHBondContact O-CG 3.42Å; F157-L161 PolarHBondContact O-N 3.11Å; F157-V171 HydrophobicContact CD1-CG1 4.16Å; F157-V171 HydrophobicContact CE1-CG1 4.06Å; F157-V171 HydrophobicContact CE1-CG2 3.83Å; F157-I182 HydrophobicContact CD1-CD1 3.54Å; F157-I182 HydrophobicContact CE1-CD1 3.16Å; F157-I182 HydrophobicContact CE1-CG2 4.35Å; F157-I182 HydrophobicContact CZ-CD1 3.99Å; F157-I182 HydrophobicContact CZ-CG2 4.41Å; F157-F197 HydrophobicContact CB-CD2 3.9Å; F157-F197 HydrophobicContact CB-CE2 3.8Å; F157-F197 HydrophobicContact CD1-CD2 4.4Å; F157-F197 HydrophobicContact CD2-CB 4.49Å; F157-F197 HydrophobicContact CD2-CD2 4.01Å; F157-F197 HydrophobicContact CE2-CB 4.31Å; F157-F197 AromaticContact CG-CD2 3.85Å; F157-F197 HydrophobicContact CG-CD2 3.85Å; F157-F197 HydrophobicContact CG-CE2 4.22Å; F157-F197 HydrophobicContact CG-CG 4.42Å; F157-F197 HydrophobicContact CZ-CB 4.48Å
158L89.1Confident86.3Confident98 Ų9870.6 Ų70.651%0.51337%0.366SS..Hα-helixtrans-59.2-39.1175.8-68.8175.3000112E154 Q156 L161E154-L158 WeakPolarHBondContact O-CG 3.5Å; E154-L158 PolarHBondContact O-N 3.46Å; Q156-L158 PolarHBondContact O-N 3.35Å; L158-L161 HydrophobicContact CD2-CD1 4.05Å
159H86.6Confident85.8Confident109 Ų10971.2 Ų71.251%0.50537%0.37SS..Hα-helixtrans-65.8-43.6172.9-177.375.3000111.7K155 Q156 F157 L161 S162 R163K155-H159 PolarHBondContact O-N 3.16Å; Q156-H159 WeakPolarHBondContact O-CB 3.31Å; Q156-H159 PolarHBondContact O-N 2.72Å; F157-H159 VanDerWaalsContact C-N 3.28Å; F157-H159 PolarHBondContact O-N 3.03Å; H159-L161 VanDerWaalsContact C-N 3.34Å; H159-L161 PolarHBondContact O-N 3.18Å; H159-S162 PolarHBondContact O-N 3.28Å; H159-S162 PolarHBondContact O-OG 3.23Å; H159-R163 PolarHBondContact NE2-NH2 3.03Å
160V84.1Confident85.3Confident11 Ų1170.7 Ų70.77%0.06737%0.372CS..Hα-helixtrans-69.7-27.1-179.8175.30000113Q156 F157 S162 R163 I169 F197Q156-V160 VanDerWaalsContact O-CG2 3.29Å; Q156-V160 WeakPolarHBondContact O-CG2 3.26Å; Q156-V160 PolarHBondContact O-N 3.17Å; F157-V160 CarbonylContact O-C 3.55Å; F157-V160 PolarHBondContact O-N 3.04Å; F157-V160 VanDerWaalsContact O-N 3.09Å; V160-S162 PolarHBondContact O-N 3.22Å; V160-S162 VanDerWaalsContact O-N 3.1Å; V160-R163 WeakPolarHBondContact O-CB 3.38Å; V160-R163 PolarHBondContact O-N 2.78Å; V160-I169 HydrophobicContact CB-CG2 4.46Å; V160-I169 HydrophobicContact CG1-CD1 3.53Å; V160-I169 HydrophobicContact CG1-CG1 3.88Å; V160-I169 HydrophobicContact CG1-CG2 3.87Å; V160-I169 HydrophobicContact CG2-CG2 3.9Å; V160-F197 HydrophobicContact CB-CZ 4.44Å; V160-F197 HydrophobicContact CG1-CE1 4.13Å; V160-F197 HydrophobicContact CG1-CZ 4.13Å
161L83.4Confident84.9Confident46 Ų4670.4 Ų70.424%0.24137%0.371CS..Hα-helixtrans-55.5-30.2175.9-78.5175.3000112.8W116 F157 L158 H159 R163 R184 T195 F197W116-L161 HydrophobicContact CH2-CD1 4.02Å; W116-L161 HydrophobicContact CZ2-CD1 3.94Å; W116-L161 HydrophobicContact CZ3-CD2 4.42Å; F157-L161 WeakPolarHBondContact O-CG 3.42Å; F157-L161 PolarHBondContact O-N 3.11Å; L158-L161 HydrophobicContact CD2-CD1 4.05Å; H159-L161 VanDerWaalsContact C-N 3.34Å; H159-L161 PolarHBondContact O-N 3.18Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.95Å; L161-R184 PolarHBondContact O-NH1 3.24Å; L161-R184 VanDerWaalsContact O-NH1 3.08Å; L161-T195 HydrophobicContact CD2-CG2 3.81Å; L161-F197 HydrophobicContact CD2-CE2 3.57Å; L161-F197 HydrophobicContact CD2-CZ 3.74Å; L161-F197 HydrophobicContact CG-CE2 3.86Å; L161-F197 HydrophobicContact CG-CZ 4.12Å
162S77.9Confident84.9Confident96 Ų9671.1 Ų71.167%0.67137%0.367SS*.THydrogen-bonded Turntrans-71.9-18.5176.373.20000113.9H159 V160H159-S162 PolarHBondContact O-N 3.28Å; H159-S162 PolarHBondContact O-OG 3.23Å; V160-S162 PolarHBondContact O-N 3.22Å; V160-S162 VanDerWaalsContact O-N 3.1Å
163R77.6Confident84.8Confident123 Ų12369.1 Ų69.146%0.46436%0.356SS..SBendtrans-86.1155.3180-57.5-172.4-177.2-171.71.8111.2H159 V160 L161 R184H159-R163 PolarHBondContact NE2-NH2 3.03Å; V160-R163 WeakPolarHBondContact O-CB 3.38Å; V160-R163 PolarHBondContact O-N 2.78Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.95Å; R163-R184 PolarHBondContact O-NH1 2.98Å
164K74.5Confident84.7Confident201 Ų20173.3 Ų73.387%0.87438%0.383SS*.  trans-82.7-14.3176.9-69.3-176.4179.61780113.2K166K164-K166 PolarHBondContact O-N 3.31Å
165D71.7Confident84.5Confident90 Ų9076.7 Ų76.748%0.48140%0.403SS..  trans-63.1133-173.8-55.7-39.7000111.1
166K76.9Confident84.4Confident134 Ų13475.2 Ų75.258%0.58340%0.398SS*.  trans-100.9-27.3-178-67.5-176-178.8176.20113K164 R184K164-K166 PolarHBondContact O-N 3.31Å; K166-R184 WeakPolarHBondContact O-CA 3.3Å; K166-R184 PolarHBondContact O-N 3.31Å
167T77.7Confident84.4Confident99 Ų9973.4 Ų73.461%0.60739%0.392SS*.SBendtrans-140.3156.6-16954.70000111.3I169 D183T167-I169 VanDerWaalsContact C-N 3.27Å; T167-I169 PolarHBondContact O-N 3.43Å; T167-D183 WeakPolarHBondContact CA-OD1 3.26Å; T167-D183 WeakPolarHBondContact CB-OD1 3.21Å; T167-D183 HydrophobicContact CG2-CB 4.44Å
168G72.1Confident84.6Confident54 Ų5473.5 Ų73.556%0.55739%0.392SS*.  trans69.125.3174.500000113.8V170 D183G168-V170 PolarHBondContact O-N 3.36Å; G168-D183 PolarHBondContact N-OD1 3.5Å
169I84.8Confident84.8Confident15 Ų1570.1 Ų70.18%0.07737%0.374CS..EExtended strand (participates in β ladder)trans-72.6130.5173.1-64.4149.2000107.3V160 T167 V171 F181 I182 R184 F197V160-I169 HydrophobicContact CB-CG2 4.46Å; V160-I169 HydrophobicContact CG1-CD1 3.53Å; V160-I169 HydrophobicContact CG1-CG1 3.88Å; V160-I169 HydrophobicContact CG1-CG2 3.87Å; V160-I169 HydrophobicContact CG2-CG2 3.9Å; T167-I169 VanDerWaalsContact C-N 3.27Å; T167-I169 PolarHBondContact O-N 3.43Å; I169-V171 HydrophobicContact CG2-CG1 4.31Å; I169-F181 WeakPolarHBondContact O-CA 3.49Å; I169-I182 HydrophobicContact CB-CD1 4.11Å; I169-I182 HydrophobicContact CB-CG1 3.56Å; I169-I182 HydrophobicContact CD1-CG1 4.39Å; I169-I182 HydrophobicContact CG2-CD1 3.64Å; I169-I182 HydrophobicContact CG2-CG1 3.66Å; I169-I182 PolarHBondContact N-O 3.05Å; I169-I182 VanDerWaalsContact N-O 3.09Å; I169-I182 PolarHBondContact O-N 3.1Å; I169-R184 HydrophobicContact CD1-CB 4.17Å; I169-F197 HydrophobicContact CD1-CD1 4.47Å; I169-F197 HydrophobicContact CD1-CE1 3.92Å
170V87.7Confident85.1Confident68 Ų6864.9 Ų64.941%0.41235%0.35SS..EExtended strand (participates in β ladder)trans-112128.7175.5-173.30000109G168 F179 L180 F181G168-V170 PolarHBondContact O-N 3.36Å; V170-F179 HydrophobicContact CG1-CB 4.36Å; V170-F179 HydrophobicContact CG1-CD1 4.1Å; V170-L180 WeakPolarHBondContact CA-O 3.45Å; V170-F181 HydrophobicContact CG2-CD1 3.6Å; V170-F181 HydrophobicContact CG2-CE1 3.53Å; V170-F181 HydrophobicContact CG2-CG 4.37Å; V170-F181 HydrophobicContact CG2-CZ 4.24Å
171V89.1Confident85.4Confident1 Ų167.4 Ų67.41%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-123.1149.7170.5-61.40000109.6F148 Q156 F157 I169 F179 L180 I182F148-V171 HydrophobicContact CE1-CG2 4.05Å; F148-V171 HydrophobicContact CZ-CB 4.47Å; F148-V171 HydrophobicContact CZ-CG2 4.23Å; Q156-V171 HydrophobicContact CB-CB 4.25Å; Q156-V171 HydrophobicContact CB-CG1 3.75Å; Q156-V171 VanDerWaalsContact OE1-CB 3.26Å; F157-V171 HydrophobicContact CD1-CG1 4.16Å; F157-V171 HydrophobicContact CE1-CG1 4.06Å; F157-V171 HydrophobicContact CE1-CG2 3.83Å; I169-V171 HydrophobicContact CG2-CG1 4.31Å; V171-F179 CarbonylContact O-C 3.51Å; V171-F179 WeakPolarHBondContact O-CA 3.45Å; V171-L180 HydrophobicContact CG2-CB 3.76Å; V171-L180 HydrophobicContact CG2-CD1 4.09Å; V171-L180 HydrophobicContact CG2-CG 4.23Å; V171-L180 PolarHBondContact N-O 3.31Å; V171-L180 PolarHBondContact O-N 3.43Å; V171-I182 HydrophobicContact CG1-CD1 4.29Å
172N92.9Very high85.7Confident47 Ų4765.2 Ų65.225%0.25135%0.348SS..EExtended strand (participates in β ladder)trans-134.6151.4-176.864.2-81.3000112.1F148 Q156 V178 F179F148-N172 VanDerWaalsContact CE1-C 3.43Å; F148-N172 WeakPolarHBondContact CZ-O 3.01Å; Q156-N172 PolarHBondContact NE2-O 3.21Å; N172-V178 VanDerWaalsContact CA-O 3.28Å; N172-V178 WeakPolarHBondContact CA-O 3.43Å; N172-F179 HydrophobicContact CB-CD1 3.52Å; N172-F179 HydrophobicContact CB-CE1 3.56Å; N172-F179 HydrophobicContact CB-CG 4.13Å; N172-F179 HydrophobicContact CB-CZ 4.21Å
173N92.6Very high86.2Confident2 Ų262.6 Ų62.61%0.01133%0.326CS..  trans-68.9161.5174.273.5-26.7000110.8E147 F148 N175 Q176 S177 V178E147-N173 PolarHBondContact O-ND2 3.07Å; F148-N173 HydrophobicContact CB-CB 4.17Å; F148-N173 HydrophobicContact CD1-CB 4.07Å; F148-N173 HydrophobicContact CD2-CB 3.7Å; F148-N173 HydrophobicContact CE1-CB 4.39Å; F148-N173 HydrophobicContact CE2-CB 4.03Å; F148-N173 HydrophobicContact CG-CB 3.73Å; F148-N173 HydrophobicContact CZ-CB 4.37Å; N173-N175 PolarHBondContact O-N 2.95Å; N173-N175 VanDerWaalsContact O-N 3.14Å; N173-Q176 PolarHBondContact O-N 3.15Å; N173-Q176 WeakPolarHBondContact OD1-CA 3.2Å; N173-Q176 PolarHBondContact OD1-N 3.24Å; N173-Q176 VanDerWaalsContact OD1-N 3.11Å; N173-S177 PolarHBondContact ND2-OG 2.87Å; N173-S177 PolarHBondContact OD1-N 3.22Å; N173-V178 HydrophobicContact CB-CB 4.43Å; N173-V178 PolarHBondContact N-O 3.24Å; N173-V178 PolarHBondContact OD1-N 3.41Å; N173-V178 PolarHBondContact OD1-O 3.21Å
174P91.8Very high86.7Confident88 Ų8858.7 Ų58.757%0.57131%0.312SS*.THydrogen-bonded Turntrans-55.7-32.3-179.6-28.636.4000114.1D152 Q176D152-P174 HydrophobicContact CB-CG 4.33Å; P174-Q176 VanDerWaalsContact C-N 3.26Å; P174-Q176 PolarHBondContact O-N 3.09Å
175N90Very high87.3Confident131 Ų13153 Ų5370%0.70129%0.288SS*.THydrogen-bonded Turntrans-80.5-2.9179.1-63-15.3000113.7N173 S177N173-N175 PolarHBondContact O-N 2.95Å; N173-N175 VanDerWaalsContact O-N 3.14Å; N175-S177 PolarHBondContact O-N 2.78Å
176Q89.7Confident87.9Confident112 Ų11253.1 Ų53.152%0.52329%0.286SS..SBendtrans53.334.4-177.5-55.5-178.3-4.800113.6N173 P174 F179N173-Q176 PolarHBondContact O-N 3.15Å; N173-Q176 WeakPolarHBondContact OD1-CA 3.2Å; N173-Q176 PolarHBondContact OD1-N 3.24Å; N173-Q176 VanDerWaalsContact OD1-N 3.11Å; P174-Q176 VanDerWaalsContact C-N 3.26Å; P174-Q176 PolarHBondContact O-N 3.09Å; Q176-F179 HydrophobicContact CB-CZ 4.22Å; Q176-F179 VanDerWaalsContact O-CE2 3.28Å; Q176-F179 WeakPolarHBondContact O-CE2 3.39Å
177S92.2Very high87.9Confident16 Ų1651.1 Ų51.111%0.11228%0.281CS..  trans-105.4-20.2178.166.50000113.2F146 N173 N175 L204 Y205F146-S177 WeakPolarHBondContact CD1-O 3.19Å; N173-S177 PolarHBondContact ND2-OG 2.87Å; N173-S177 PolarHBondContact OD1-N 3.22Å; N175-S177 PolarHBondContact O-N 2.78Å; S177-L204 WeakPolarHBondContact O-CA 3.34Å; S177-Y205 PolarHBondContact O-N 2.97Å
178V94.6Very high87.7Confident2 Ų253 Ų531%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-128.2123.2179.5-173.30000109F146 F148 N172 N173 L180 I202 L204F146-V178 HydrophobicContact CB-CG2 3.69Å; F146-V178 HydrophobicContact CD1-CG2 4.08Å; F146-V178 HydrophobicContact CG-CG2 4.4Å; F148-V178 HydrophobicContact CB-CG1 4.44Å; F148-V178 HydrophobicContact CD1-CB 4.46Å; F148-V178 HydrophobicContact CD1-CG1 4.23Å; N172-V178 VanDerWaalsContact CA-O 3.28Å; N172-V178 WeakPolarHBondContact CA-O 3.43Å; N173-V178 HydrophobicContact CB-CB 4.43Å; N173-V178 PolarHBondContact N-O 3.24Å; N173-V178 PolarHBondContact OD1-N 3.41Å; N173-V178 PolarHBondContact OD1-O 3.21Å; V178-L180 HydrophobicContact CG1-CD2 4.08Å; V178-I202 HydrophobicContact CG1-CG2 4.14Å; V178-L204 HydrophobicContact CB-CD2 4.37Å; V178-L204 HydrophobicContact CG1-CD2 4.14Å; V178-L204 HydrophobicContact CG2-CD2 3.97Å
179F93.1Very high87.6Confident27 Ų2753.5 Ų53.512%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-116.2131.1176.1-62.9-101.9000108.9V170 V171 N172 Q176 F181 I202 C203 Y205V170-F179 HydrophobicContact CG1-CB 4.36Å; V170-F179 HydrophobicContact CG1-CD1 4.1Å; V171-F179 CarbonylContact O-C 3.51Å; V171-F179 WeakPolarHBondContact O-CA 3.45Å; N172-F179 HydrophobicContact CB-CD1 3.52Å; N172-F179 HydrophobicContact CB-CE1 3.56Å; N172-F179 HydrophobicContact CB-CG 4.13Å; N172-F179 HydrophobicContact CB-CZ 4.21Å; Q176-F179 HydrophobicContact CB-CZ 4.22Å; Q176-F179 VanDerWaalsContact O-CE2 3.28Å; Q176-F179 WeakPolarHBondContact O-CE2 3.39Å; F179-F181 HydrophobicContact CB-CE2 4.45Å; F179-I202 WeakPolarHBondContact O-CA 3.32Å; F179-C203 HydrophobicContact CB-CB 4.23Å; F179-C203 PolarHBondContact N-O 2.87Å; F179-C203 PolarHBondContact O-N 2.88Å; F179-Y205 AromaticContact CD2-CD1 3.65Å; F179-Y205 HydrophobicContact CD2-CD1 3.65Å; F179-Y205 HydrophobicContact CD2-CD2 4.43Å; F179-Y205 AromaticContact CD2-CE1 3.8Å; F179-Y205 HydrophobicContact CD2-CE1 3.8Å; F179-Y205 AromaticContact CD2-CG 3.99Å; F179-Y205 HydrophobicContact CD2-CG 3.99Å; F179-Y205 AromaticContact CE2-CD1 3.52Å; F179-Y205 HydrophobicContact CE2-CD1 3.52Å; F179-Y205 AromaticContact CE2-CD2 3.49Å; F179-Y205 HydrophobicContact CE2-CD2 3.49Å; F179-Y205 VanDerWaalsContact CE2-CD2 3.49Å; F179-Y205 AromaticContact CE2-CE1 3.75Å; F179-Y205 HydrophobicContact CE2-CE1 3.75Å; F179-Y205 AromaticContact CE2-CE2 3.73Å; F179-Y205 HydrophobicContact CE2-CE2 3.73Å; F179-Y205 AromaticContact CE2-CG 3.38Å; F179-Y205 HydrophobicContact CE2-CG 3.38Å; F179-Y205 AromaticContact CE2-CZ 3.85Å; F179-Y205 HydrophobicContact CG-CE1 4.47Å; F179-Y205 HydrophobicContact CZ-CD1 4.45Å; F179-Y205 AromaticContact CZ-CD2 3.84Å; F179-Y205 HydrophobicContact CZ-CD2 3.84Å; F179-Y205 HydrophobicContact CZ-CE1 4.36Å; F179-Y205 AromaticContact CZ-CE2 3.74Å; F179-Y205 HydrophobicContact CZ-CE2 3.74Å; F179-Y205 HydrophobicContact CZ-CG 4.21Å
180L92.6Very high86.9Confident0 Ų059.6 Ų59.60%032%0.316CS..EExtended strand (participates in β ladder)trans-110.1126.3175.8-48.9177.1000108.3L115 I124 F148 V170 V171 V178 I182 L199 I202L115-L180 HydrophobicContact CD1-CD1 3.95Å; I124-L180 HydrophobicContact CD1-CD1 3.79Å; I124-L180 HydrophobicContact CD1-CD2 4.29Å; F148-L180 HydrophobicContact CD1-CD1 3.49Å; F148-L180 VanDerWaalsContact CD1-CD1 3.49Å; F148-L180 HydrophobicContact CD1-CD2 4.23Å; F148-L180 HydrophobicContact CD1-CG 3.63Å; F148-L180 HydrophobicContact CE1-CD1 3.58Å; F148-L180 HydrophobicContact CE1-CG 3.69Å; F148-L180 HydrophobicContact CG-CD1 4.42Å; V170-L180 WeakPolarHBondContact CA-O 3.45Å; V171-L180 HydrophobicContact CG2-CB 3.76Å; V171-L180 HydrophobicContact CG2-CD1 4.09Å; V171-L180 HydrophobicContact CG2-CG 4.23Å; V171-L180 PolarHBondContact N-O 3.31Å; V171-L180 PolarHBondContact O-N 3.43Å; V178-L180 HydrophobicContact CG1-CD2 4.08Å; L180-I182 HydrophobicContact CB-CG2 4.17Å; L180-L199 HydrophobicContact CB-CD1 3.82Å; L180-L199 HydrophobicContact CD2-CD1 3.99Å; L180-L199 HydrophobicContact CG-CD1 4.38Å; L180-I202 HydrophobicContact CD2-CD1 3.9Å; L180-I202 HydrophobicContact CD2-CG1 3.77Å; L180-I202 HydrophobicContact CD2-CG2 4.43Å
181F90.4Very high86.3Confident63 Ų6366.3 Ų66.328%0.27634%0.34SS..EExtended strand (participates in β ladder)trans-94.3122.2169.5-65.3-103000107.5I169 V170 F179 C200 S201 C203I169-F181 WeakPolarHBondContact O-CA 3.49Å; V170-F181 HydrophobicContact CG2-CD1 3.6Å; V170-F181 HydrophobicContact CG2-CE1 3.53Å; V170-F181 HydrophobicContact CG2-CG 4.37Å; V170-F181 HydrophobicContact CG2-CZ 4.24Å; F179-F181 HydrophobicContact CB-CE2 4.45Å; F181-C200 PolarHBondContact O-N 2.88Å; F181-S201 VanDerWaalsContact CB-OG 3.31Å; F181-S201 WeakPolarHBondContact CB-OG 3.4Å; F181-S201 VanDerWaalsContact CD2-OG 3.24Å; F181-S201 WeakPolarHBondContact CD2-OG 3.45Å; F181-S201 WeakPolarHBondContact CG-OG 3.49Å; F181-S201 PolarHBondContact N-O 2.99Å; F181-S201 PolarHBondContact O-N 3.34Å; F181-C203 HydrophobicContact CE2-CB 3.78Å
182I89.8Confident85.5Confident0 Ų071.4 Ų71.40%037%0.367CS..EExtended strand (participates in β ladder)trans-128.5148.8-174.574-174.4000111.1L115 F157 I169 V171 L180 F197 K198 L199L115-I182 HydrophobicContact CD1-CG2 4.35Å; F157-I182 HydrophobicContact CD1-CD1 3.54Å; F157-I182 HydrophobicContact CE1-CD1 3.16Å; F157-I182 HydrophobicContact CE1-CG2 4.35Å; F157-I182 HydrophobicContact CZ-CD1 3.99Å; F157-I182 HydrophobicContact CZ-CG2 4.41Å; I169-I182 HydrophobicContact CB-CD1 4.11Å; I169-I182 HydrophobicContact CB-CG1 3.56Å; I169-I182 HydrophobicContact CD1-CG1 4.39Å; I169-I182 HydrophobicContact CG2-CD1 3.64Å; I169-I182 HydrophobicContact CG2-CG1 3.66Å; I169-I182 PolarHBondContact N-O 3.05Å; I169-I182 VanDerWaalsContact N-O 3.09Å; I169-I182 PolarHBondContact O-N 3.1Å; V171-I182 HydrophobicContact CG1-CD1 4.29Å; L180-I182 HydrophobicContact CB-CG2 4.17Å; I182-F197 HydrophobicContact CD1-CB 4.31Å; I182-F197 HydrophobicContact CD1-CD1 3.81Å; I182-F197 HydrophobicContact CD1-CE1 4.37Å; I182-F197 HydrophobicContact CD1-CG 4.16Å; I182-F197 HydrophobicContact CG1-CD1 4.26Å; I182-K198 CarbonylContact C-O 3.59Å; I182-K198 WeakPolarHBondContact CA-O 3.44Å; I182-K198 WeakPolarHBondContact CB-O 3.26Å; I182-L199 HydrophobicContact CG2-CD1 4.46Å
183D88.1Confident84.7Confident41 Ų4176.3 Ų76.322%0.21939%0.386CS..EExtended strand (participates in β ladder)trans-112.9139168.7-69.4-21.2000110.4T167 G168 F197 K198 C200T167-D183 WeakPolarHBondContact CA-OD1 3.26Å; T167-D183 WeakPolarHBondContact CB-OD1 3.21Å; T167-D183 HydrophobicContact CG2-CB 4.44Å; G168-D183 PolarHBondContact N-OD1 3.5Å; D183-F197 WeakPolarHBondContact O-CA 3.46Å; D183-K198 PolarHBondContact N-O 2.98Å; D183-K198 PolarHBondContact O-N 3.37Å; D183-C200 PolarHBondContact OD2-SG 3.44Å
184R89.1Confident84.3Confident41 Ų4177.9 Ų77.916%0.15540%0.399CS..EExtended strand (participates in β ladder)trans-87.5119.2170.8-173.5-174.7175.5164.16.9109.1L161 R163 K166 I169 T195 I196 F197L161-R184 PolarHBondContact O-NH1 3.24Å; L161-R184 VanDerWaalsContact O-NH1 3.08Å; R163-R184 PolarHBondContact O-NH1 2.98Å; K166-R184 WeakPolarHBondContact O-CA 3.3Å; K166-R184 PolarHBondContact O-N 3.31Å; I169-R184 HydrophobicContact CD1-CB 4.17Å; R184-T195 HydrophobicContact CG-CG2 3.66Å; R184-I196 WeakPolarHBondContact CA-O 3.48Å; R184-F197 HydrophobicContact CB-CD1 3.92Å; R184-F197 HydrophobicContact CB-CE1 3.61Å; R184-F197 HydrophobicContact CG-CD1 4.28Å; R184-F197 HydrophobicContact CG-CE1 3.78Å; R184-F197 HydrophobicContact CG-CZ 4.31Å
185Q86.7Confident84.1Confident81 Ų8174.9 Ų74.938%0.37938%0.379SS..EExtended strand (participates in β ladder)trans-119.3155.8174.2-57-178.1-5.800110.3T195 I196Q185-T195 WeakPolarHBondContact O-CA 3.41Å; Q185-I196 HydrophobicContact CB-CD1 4.06Å; Q185-I196 HydrophobicContact CB-CG1 3.71Å; Q185-I196 PolarHBondContact N-O 3.33Å; Q185-I196 PolarHBondContact O-N 2.85Å
186H83.3Confident84.2Confident93 Ų9369.3 Ų69.343%0.43135%0.349SS..EExtended strand (participates in β ladder)trans-109.2108171.7-69.5-66.8000108.6Q188 A194 T195H186-Q188 PolarHBondContact O-N 3.44Å; H186-A194 CarbonylContact C-O 3.5Å; H186-A194 WeakPolarHBondContact CA-O 3.21Å; H186-T195 PolarHBondContact CE1-OG1 3.2Å; H186-T195 VanDerWaalsContact CE1-OG1 3.26Å; H186-T195 PolarHBondContact ND1-OG1 2.93Å
187L77.7Confident84.4Confident93 Ų9364 Ų6449%0.48733%0.325SS..EExtended strand (participates in β ladder)trans-78.1106.6172.2-165.675.1000107.9T189 A194 I196L187-T189 HydrophobicContact CD2-CG2 4.34Å; L187-T189 HydrophobicContact CG-CG2 4.49Å; L187-A194 PolarHBondContact N-O 2.93Å; L187-A194 PolarHBondContact O-N 3.25Å; L187-I196 HydrophobicContact CB-CG2 4.38Å
188Q73.6Confident84.4Confident138 Ų13865.9 Ų65.965%0.64533%0.331SS*.EExtended strand (participates in β ladder)trans-86110.4170.9-63.3-165.17.600108.8H186 K193H186-Q188 PolarHBondContact O-N 3.44Å; Q188-K193 HydrophobicContact CG-CG 4.27Å
189T69.2Low84.3Confident64 Ų6465.8 Ų65.839%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-98.7158.8162.664.80000108.5L187 K191 N192L187-T189 HydrophobicContact CD2-CG2 4.34Å; L187-T189 HydrophobicContact CG-CG2 4.49Å; T189-K191 PolarHBondContact O-N 3.19Å; T189-N192 PolarHBondContact N-O 2.81Å; T189-N192 PolarHBondContact O-N 3.36Å; T189-N192 PolarHBondContact OG1-N 2.73Å; T189-N192 PolarHBondContact OG1-O 3.43Å
190P71.2Confident84.1Confident144 Ų14466.3 Ų66.394%0.93534%0.337SS*.THydrogen-bonded Turntrans-54-21177.6-27.234.6000114.5
191K74.5Confident84.1Confident209 Ų20967.5 Ų67.591%0.90935%0.345SS*.THydrogen-bonded Turntrans-110.4-17.6-176.7-64.2-175.5178-178.70114.5T189T189-K191 PolarHBondContact O-N 3.19Å
192N72.6Confident84.2Confident107 Ų10764.5 Ų64.557%0.57233%0.332SS*.EExtended strand (participates in β ladder)trans-156.6142.7-170.6-159.6-4.9000112.7T189T189-N192 PolarHBondContact N-O 2.81Å; T189-N192 PolarHBondContact O-N 3.36Å; T189-N192 PolarHBondContact OG1-N 2.73Å; T189-N192 PolarHBondContact OG1-O 3.43Å
193K76.3Confident84.3Confident150 Ų15064.5 Ų64.565%0.65233%0.332SS*.EExtended strand (participates in β ladder)trans-99.6101166.7-67.6-172.9177.7175.40108.2Q188Q188-K193 HydrophobicContact CG-CG 4.27Å
194A84.6Confident84.6Confident35 Ų3562.6 Ų62.629%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-94.8134.9174.600000109.9H186 L187H186-A194 CarbonylContact C-O 3.5Å; H186-A194 WeakPolarHBondContact CA-O 3.21Å; L187-A194 PolarHBondContact N-O 2.93Å; L187-A194 PolarHBondContact O-N 3.25Å
195T87.9Confident84.7Confident26 Ų2663.3 Ų63.316%0.1633%0.325CS..EExtended strand (participates in β ladder)trans-80.5137.3164.7-59.40000107.9W116 L161 R184 Q185 H186W116-T195 HydrophobicContact CZ3-CG2 4.46Å; W116-T195 WeakPolarHBondContact CZ3-O 3.33Å; L161-T195 HydrophobicContact CD2-CG2 3.81Å; R184-T195 HydrophobicContact CG-CG2 3.66Å; Q185-T195 WeakPolarHBondContact O-CA 3.41Å; H186-T195 PolarHBondContact CE1-OG1 3.2Å; H186-T195 VanDerWaalsContact CE1-OG1 3.26Å; H186-T195 PolarHBondContact ND1-OG1 2.93Å
196I91.5Very high84.9Confident14 Ų1459.4 Ų59.47%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-127145.7173.165.1173.8000109.3I114 W116 R184 Q185 L187I114-I196 HydrophobicContact CD1-CD1 4.36Å; I114-I196 HydrophobicContact CG2-CB 4.41Å; W116-I196 WeakPolarHBondContact O-CA 3.4Å; R184-I196 WeakPolarHBondContact CA-O 3.48Å; Q185-I196 HydrophobicContact CB-CD1 4.06Å; Q185-I196 HydrophobicContact CB-CG1 3.71Å; Q185-I196 PolarHBondContact N-O 3.33Å; Q185-I196 PolarHBondContact O-N 2.85Å; L187-I196 HydrophobicContact CB-CG2 4.38Å
197F92.9Very high85Confident0 Ų057.3 Ų57.30%030%0.301CS..EExtended strand (participates in β ladder)trans-107.8120.1166.3-70.2-68.7000108.6L115 W116 F157 V160 L161 I169 I182 D183 R184L115-F197 PolarHBondContact N-O 3.5Å; W116-F197 HydrophobicContact CB-CB 3.96Å; W116-F197 HydrophobicContact CB-CD2 3.72Å; W116-F197 HydrophobicContact CB-CG 4.34Å; W116-F197 HydrophobicContact CD2-CD2 4.18Å; W116-F197 HydrophobicContact CE3-CD2 4.21Å; W116-F197 AromaticContact CG-CD2 3.99Å; W116-F197 HydrophobicContact CG-CD2 3.99Å; W116-F197 PolarHBondContact N-O 3.4Å; W116-F197 PolarHBondContact O-N 2.98Å; F157-F197 HydrophobicContact CB-CD2 3.9Å; F157-F197 HydrophobicContact CB-CE2 3.8Å; F157-F197 HydrophobicContact CD1-CD2 4.4Å; F157-F197 HydrophobicContact CD2-CB 4.49Å; F157-F197 HydrophobicContact CD2-CD2 4.01Å; F157-F197 HydrophobicContact CE2-CB 4.31Å; F157-F197 AromaticContact CG-CD2 3.85Å; F157-F197 HydrophobicContact CG-CD2 3.85Å; F157-F197 HydrophobicContact CG-CE2 4.22Å; F157-F197 HydrophobicContact CG-CG 4.42Å; F157-F197 HydrophobicContact CZ-CB 4.48Å; V160-F197 HydrophobicContact CB-CZ 4.44Å; V160-F197 HydrophobicContact CG1-CE1 4.13Å; V160-F197 HydrophobicContact CG1-CZ 4.13Å; L161-F197 HydrophobicContact CD2-CE2 3.57Å; L161-F197 HydrophobicContact CD2-CZ 3.74Å; L161-F197 HydrophobicContact CG-CE2 3.86Å; L161-F197 HydrophobicContact CG-CZ 4.12Å; I169-F197 HydrophobicContact CD1-CD1 4.47Å; I169-F197 HydrophobicContact CD1-CE1 3.92Å; I182-F197 HydrophobicContact CD1-CB 4.31Å; I182-F197 HydrophobicContact CD1-CD1 3.81Å; I182-F197 HydrophobicContact CD1-CE1 4.37Å; I182-F197 HydrophobicContact CD1-CG 4.16Å; I182-F197 HydrophobicContact CG1-CD1 4.26Å; D183-F197 WeakPolarHBondContact O-CA 3.46Å; R184-F197 HydrophobicContact CB-CD1 3.92Å; R184-F197 HydrophobicContact CB-CE1 3.61Å; R184-F197 HydrophobicContact CG-CD1 4.28Å; R184-F197 HydrophobicContact CG-CE1 3.78Å; R184-F197 HydrophobicContact CG-CZ 4.31Å
198K92.6Very high85.2Confident55 Ų5554.1 Ų54.124%0.23928%0.284CS..EExtended strand (participates in β ladder)trans-106.5130.4-177.9-176.1-178.9175.5177.80108.7D112 I182 D183D112-K198 WeakPolarHBondContact O-CE 3.19Å; I182-K198 CarbonylContact C-O 3.59Å; I182-K198 WeakPolarHBondContact CA-O 3.44Å; I182-K198 WeakPolarHBondContact CB-O 3.26Å; D183-K198 PolarHBondContact N-O 2.98Å; D183-K198 PolarHBondContact O-N 3.37Å
199L93.6Very high85.4Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-72.9128.2172.8-179.668.4000109.6F38 M111 D112 F113 L115 L180 I182 S201 I202F38-L199 HydrophobicContact CE1-CD2 4.26Å; F38-L199 HydrophobicContact CZ-CD2 3.83Å; M111-L199 CarbonylContact C-O 3.53Å; M111-L199 HydrophobicContact SD-CD2 4.29Å; D112-L199 WeakPolarHBondContact CA-O 3.39Å; D112-L199 PolarHBondContact N-O 3.36Å; F113-L199 HydrophobicContact CB-CB 4.31Å; F113-L199 HydrophobicContact CB-CD2 4.44Å; F113-L199 WeakPolarHBondContact O-CB 3.42Å; F113-L199 PolarHBondContact O-N 2.88Å; L115-L199 HydrophobicContact CD1-CB 4.03Å; L115-L199 HydrophobicContact CD1-CD1 4.28Å; L115-L199 HydrophobicContact CG-CB 4.24Å; L180-L199 HydrophobicContact CB-CD1 3.82Å; L180-L199 HydrophobicContact CD2-CD1 3.99Å; L180-L199 HydrophobicContact CG-CD1 4.38Å; I182-L199 HydrophobicContact CG2-CD1 4.46Å; L199-S201 WeakPolarHBondContact CD1-O 3.45Å; L199-I202 HydrophobicContact CD1-CG1 4.02Å; L199-I202 HydrophobicContact CD2-CD1 3.99Å; L199-I202 HydrophobicContact CD2-CG1 3.96Å; L199-I202 HydrophobicContact CG-CG1 4.44Å
200C89Confident86.2Confident38 Ų3853.5 Ų53.526%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-110.6-32.2-179-56.80000112.4M111 F181 D183M111-C200 WeakPolarHBondContact CB-O 3.28Å; F181-C200 PolarHBondContact O-N 2.88Å; D183-C200 PolarHBondContact OD2-SG 3.44Å
201S91.1Very high86.8Confident25 Ų2546.7 Ų46.718%0.17523%0.232CC..EExtended strand (participates in β ladder)trans-161.8161.7170.566.50000111.6F181 L199F181-S201 VanDerWaalsContact CB-OG 3.31Å; F181-S201 WeakPolarHBondContact CB-OG 3.4Å; F181-S201 VanDerWaalsContact CD2-OG 3.24Å; F181-S201 WeakPolarHBondContact CD2-OG 3.45Å; F181-S201 WeakPolarHBondContact CG-OG 3.49Å; F181-S201 PolarHBondContact N-O 2.99Å; F181-S201 PolarHBondContact O-N 3.34Å; L199-S201 WeakPolarHBondContact CD1-O 3.45Å
202I93.4Very high87.1Confident0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-116.1141.9170.6-60.9-171.6000108.9I36 A94 M111 I124 V178 F179 L180 L199 L204I36-I202 HydrophobicContact CD1-CD1 3.8Å; I36-I202 HydrophobicContact CD1-CG1 4.44Å; I36-I202 HydrophobicContact CG1-CD1 4.15Å; I36-I202 HydrophobicContact CG2-CD1 3.9Å; A94-I202 PolarHBondContact N-O 3.45Å; A94-I202 PolarHBondContact O-N 3.14Å; M111-I202 HydrophobicContact SD-CG1 4.07Å; I124-I202 HydrophobicContact CG2-CD1 4.4Å; V178-I202 HydrophobicContact CG1-CG2 4.14Å; F179-I202 WeakPolarHBondContact O-CA 3.32Å; L180-I202 HydrophobicContact CD2-CD1 3.9Å; L180-I202 HydrophobicContact CD2-CG1 3.77Å; L180-I202 HydrophobicContact CD2-CG2 4.43Å; L199-I202 HydrophobicContact CD1-CG1 4.02Å; L199-I202 HydrophobicContact CD2-CD1 3.99Å; L199-I202 HydrophobicContact CD2-CG1 3.96Å; L199-I202 HydrophobicContact CG-CG1 4.44Å; I202-L204 HydrophobicContact CG2-CD2 3.93Å
203C92.5Very high87.9Confident1 Ų138.6 Ų38.61%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-125.2129.6168.2-175.90000109.9L92 H93 F179 F181L92-C203 WeakPolarHBondContact O-CA 3.42Å; H93-C203 PolarHBondContact CE1-SG 3.24Å; F179-C203 HydrophobicContact CB-CB 4.23Å; F179-C203 PolarHBondContact N-O 2.87Å; F179-C203 PolarHBondContact O-N 2.88Å; F181-C203 HydrophobicContact CE2-CB 3.78Å
204L94.4Very high88.6Confident0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-100.4135.7172.7-51.6-175.3000110.1M34 Q91 L92 C126 L128 F146 S177 V178 I202M34-L204 HydrophobicContact CE-CD1 3.42Å; M34-L204 VanDerWaalsContact CE-CD1 3.42Å; M34-L204 HydrophobicContact CE-CG 3.75Å; M34-L204 HydrophobicContact CG-CD1 4.5Å; M34-L204 HydrophobicContact SD-CD1 3.85Å; M34-L204 HydrophobicContact SD-CG 4.17Å; Q91-L204 CarbonylContact C-O 3.44Å; Q91-L204 WeakPolarHBondContact CA-O 3.36Å; L92-L204 HydrophobicContact CB-CB 4.23Å; L92-L204 PolarHBondContact N-O 3.49Å; L92-L204 PolarHBondContact O-N 3.4Å; C126-L204 HydrophobicContact CB-CD1 3.94Å; C126-L204 HydrophobicContact CB-CD2 3.84Å; C126-L204 HydrophobicContact CB-CG 4.48Å; L128-L204 HydrophobicContact CB-CD1 4.39Å; F146-L204 HydrophobicContact CB-CD1 4.44Å; F146-L204 HydrophobicContact CB-CD2 4.14Å; F146-L204 HydrophobicContact CD1-CB 4.09Å; F146-L204 HydrophobicContact CD1-CD1 4.1Å; F146-L204 HydrophobicContact CD1-CD2 3.9Å; F146-L204 HydrophobicContact CD1-CG 4.26Å; F146-L204 HydrophobicContact CD2-CD1 3.85Å; F146-L204 HydrophobicContact CE1-CB 3.86Å; F146-L204 HydrophobicContact CE1-CD1 4.28Å; F146-L204 HydrophobicContact CE1-CG 4.46Å; F146-L204 HydrophobicContact CE2-CD1 4.03Å; F146-L204 HydrophobicContact CG-CD1 3.87Å; F146-L204 HydrophobicContact CG-CD2 4.06Å; F146-L204 HydrophobicContact CG-CG 4.44Å; F146-L204 HydrophobicContact CZ-CB 4.27Å; F146-L204 HydrophobicContact CZ-CD1 4.23Å; S177-L204 WeakPolarHBondContact O-CA 3.34Å; V178-L204 HydrophobicContact CB-CD2 4.37Å; V178-L204 HydrophobicContact CG1-CD2 4.14Å; V178-L204 HydrophobicContact CG2-CD2 3.97Å; I202-L204 HydrophobicContact CG2-CD2 3.93Å
205Y91.1Very high89Confident56 Ų5634.4 Ų34.422%0.2218%0.178CC..EExtended strand (participates in β ladder)trans-101.6119.9171.7-81.928.1000108.5V89 Q91 S177 F179V89-Y205 HydrophobicContact CG1-CD2 3.98Å; V89-Y205 HydrophobicContact CG1-CG 3.92Å; Q91-Y205 HydrophobicContact CB-CD1 4.34Å; Q91-Y205 HydrophobicContact CB-CE1 4.15Å; Q91-Y205 HydrophobicContact CG-CD1 3.88Å; Q91-Y205 HydrophobicContact CG-CE1 3.5Å; Q91-Y205 PolarHBondContact NE2-OH 3.43Å; S177-Y205 PolarHBondContact O-N 2.97Å; F179-Y205 AromaticContact CD2-CD1 3.65Å; F179-Y205 HydrophobicContact CD2-CD1 3.65Å; F179-Y205 HydrophobicContact CD2-CD2 4.43Å; F179-Y205 AromaticContact CD2-CE1 3.8Å; F179-Y205 HydrophobicContact CD2-CE1 3.8Å; F179-Y205 AromaticContact CD2-CG 3.99Å; F179-Y205 HydrophobicContact CD2-CG 3.99Å; F179-Y205 AromaticContact CE2-CD1 3.52Å; F179-Y205 HydrophobicContact CE2-CD1 3.52Å; F179-Y205 AromaticContact CE2-CD2 3.49Å; F179-Y205 HydrophobicContact CE2-CD2 3.49Å; F179-Y205 VanDerWaalsContact CE2-CD2 3.49Å; F179-Y205 AromaticContact CE2-CE1 3.75Å; F179-Y205 HydrophobicContact CE2-CE1 3.75Å; F179-Y205 AromaticContact CE2-CE2 3.73Å; F179-Y205 HydrophobicContact CE2-CE2 3.73Å; F179-Y205 AromaticContact CE2-CG 3.38Å; F179-Y205 HydrophobicContact CE2-CG 3.38Å; F179-Y205 AromaticContact CE2-CZ 3.85Å; F179-Y205 HydrophobicContact CG-CE1 4.47Å; F179-Y205 HydrophobicContact CZ-CD1 4.45Å; F179-Y205 AromaticContact CZ-CD2 3.84Å; F179-Y205 HydrophobicContact CZ-CD2 3.84Å; F179-Y205 HydrophobicContact CZ-CE1 4.36Å; F179-Y205 AromaticContact CZ-CE2 3.74Å; F179-Y205 HydrophobicContact CZ-CE2 3.74Å; F179-Y205 HydrophobicContact CZ-CG 4.21Å
206L90.4Very high89.1Confident0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-126.7123.6-179.6-177.975.7000109.7V89 V90 L92 L128 V142 A144 F146 Q208 Q210 L211V89-L206 WeakPolarHBondContact CA-O 3.21Å; V90-L206 PolarHBondContact N-O 3.26Å; V90-L206 PolarHBondContact O-N 2.99Å; L92-L206 HydrophobicContact CD1-CB 4.32Å; L92-L206 HydrophobicContact CD1-CD2 4.39Å; L128-L206 HydrophobicContact CD2-CD2 3.93Å; V142-L206 HydrophobicContact CG1-CD1 3.95Å; V142-L206 HydrophobicContact CG1-CD2 4.01Å; A144-L206 HydrophobicContact CB-CD1 3.57Å; F146-L206 HydrophobicContact CZ-CB 4.33Å; F146-L206 HydrophobicContact CZ-CD1 3.85Å; L206-Q208 PolarHBondContact O-N 2.87Å; L206-Q210 HydrophobicContact CD1-CB 3.75Å; L206-Q210 HydrophobicContact CG-CB 4.16Å; L206-L211 HydrophobicContact CD2-CD2 3.6Å; L206-L211 HydrophobicContact CD2-CG 4.16Å
207P85.9Confident89.1Confident48 Ų4840.6 Ų40.631%0.31222%0.222SC..EExtended strand (participates in β ladder)trans-56.2133.8169.5-24.134000111.3E209 Q210P207-E209 HydrophobicContact CB-CG 4.17Å; P207-E209 PolarHBondContact O-N 3.39Å; P207-E209 VanDerWaalsContact O-N 3.15Å; P207-Q210 HydrophobicContact CB-CG 4.31Å; P207-Q210 WeakPolarHBondContact O-CB 3.45Å; P207-Q210 PolarHBondContact O-N 2.88Å
208Q80.8Confident89Confident26 Ų2643.7 Ų43.712%0.12124%0.241CC..G310 helixtrans-56.8-35.4-173.5-177.6173.3-8.300113L26 M59 D88 V90 L206 Q210 L211L26-Q208 HydrophobicContact CB-CG 3.74Å; L26-Q208 HydrophobicContact CD2-CG 3.68Å; L26-Q208 HydrophobicContact CG-CG 4.24Å; M59-Q208 HydrophobicContact CE-CB 4.32Å; M59-Q208 HydrophobicContact CE-CG 4.28Å; D88-Q208 HydrophobicContact CB-CB 4.12Å; D88-Q208 VanDerWaalsContact O-CB 3.31Å; D88-Q208 WeakPolarHBondContact O-CB 3.42Å; D88-Q208 PolarHBondContact O-N 3.23Å; V90-Q208 HydrophobicContact CG2-CB 4.32Å; L206-Q208 PolarHBondContact O-N 2.87Å; Q208-Q210 PolarHBondContact O-N 3.45Å; Q208-L211 HydrophobicContact CG-CD1 4.29Å; Q208-L211 VanDerWaalsContact O-CB 3.3Å; Q208-L211 WeakPolarHBondContact O-CB 3.43Å; Q208-L211 WeakPolarHBondContact O-CG 3.17Å; Q208-L211 PolarHBondContact O-N 3.48Å
209E78.9Confident89.1Confident136 Ų13641.9 Ų41.964%0.63623%0.234SC*.G310 helixtrans-59.5-31175.960.5-180-163.900113.5P207 L211 T212P207-E209 HydrophobicContact CB-CG 4.17Å; P207-E209 PolarHBondContact O-N 3.39Å; P207-E209 VanDerWaalsContact O-N 3.15Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 2.91Å; E209-T212 PolarHBondContact O-OG1 3.49Å
210Q85.4Confident89Confident54 Ų5447.2 Ų47.225%0.25226%0.259SS..G310 helixtrans-75.5-12.8-179.2-65-173.9-9.500113.2L206 P207 Q208 T212 H213L206-Q210 HydrophobicContact CD1-CB 3.75Å; L206-Q210 HydrophobicContact CG-CB 4.16Å; P207-Q210 HydrophobicContact CB-CG 4.31Å; P207-Q210 WeakPolarHBondContact O-CB 3.45Å; P207-Q210 PolarHBondContact O-N 2.88Å; Q208-Q210 PolarHBondContact O-N 3.45Å; Q210-T212 PolarHBondContact O-N 3.25Å; Q210-T212 VanDerWaalsContact O-N 3.11Å; Q210-H213 PolarHBondContact O-N 3.12Å
211L83.7Confident89.2Confident0 Ų048.9 Ų48.90%027%0.265CS..G310 helixtrans-58.4-25.5175.3-73.4176.4000113.2L26 A27 F30 F32 V90 L206 Q208 E209L26-L211 HydrophobicContact CB-CD1 4.11Å; L26-L211 HydrophobicContact CD2-CB 4.36Å; L26-L211 HydrophobicContact CD2-CD1 4.09Å; L26-L211 HydrophobicContact CG-CD1 3.79Å; A27-L211 HydrophobicContact CB-CD1 4.15Å; F30-L211 HydrophobicContact CD2-CB 4.25Å; F30-L211 HydrophobicContact CD2-CD1 4.2Å; F30-L211 HydrophobicContact CE2-CB 3.92Å; F30-L211 HydrophobicContact CE2-CD1 4.27Å; F30-L211 HydrophobicContact CZ-CB 4.37Å; F32-L211 HydrophobicContact CE1-CD2 3.44Å; F32-L211 VanDerWaalsContact CE1-CD2 3.44Å; F32-L211 HydrophobicContact CZ-CD2 3.51Å; V90-L211 HydrophobicContact CG2-CD1 3.65Å; V90-L211 HydrophobicContact CG2-CD2 4.29Å; V90-L211 HydrophobicContact CG2-CG 4.05Å; L206-L211 HydrophobicContact CD2-CD2 3.6Å; L206-L211 HydrophobicContact CD2-CG 4.16Å; Q208-L211 HydrophobicContact CG-CD1 4.29Å; Q208-L211 VanDerWaalsContact O-CB 3.3Å; Q208-L211 WeakPolarHBondContact O-CB 3.43Å; Q208-L211 WeakPolarHBondContact O-CG 3.17Å; Q208-L211 PolarHBondContact O-N 3.48Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 2.91Å
212T80.9Confident89.3Confident58 Ų5850.3 Ų50.336%0.35627%0.269SS..G310 helixtrans-97.2-3.7-179.963.90000113.8F30 E209 Q210F30-T212 HydrophobicContact CZ-CG2 4.05Å; E209-T212 PolarHBondContact O-OG1 3.49Å; Q210-T212 PolarHBondContact O-N 3.25Å; Q210-T212 VanDerWaalsContact O-N 3.11Å
213H88.3Confident89.3Confident89 Ų8950.6 Ų50.641%0.41227%0.27SS..  trans-9797.4-178.2-61.9156.1000109.8Q143 Q210Q143-H213 HydrophobicContact CB-CB 4.25Å; Q143-H213 WeakPolarHBondContact CB-O 3.3Å; Q143-H213 PolarHBondContact N-O 2.84Å; Q210-H213 PolarHBondContact O-N 3.12Å
214W92.7Very high89.3Confident62 Ų6258.7 Ų58.724%0.23530%0.301CS..BIsolated β-bridgetrans-97.7136175.9-62.4-64.4000112.1F30 S130 W132 R140 P141F30-W214 HydrophobicContact CD1-CZ2 4.01Å; F30-W214 AromaticContact CE1-CH2 3.84Å; F30-W214 HydrophobicContact CE1-CH2 3.84Å; F30-W214 AromaticContact CE1-CZ2 3.49Å; F30-W214 HydrophobicContact CE1-CZ2 3.49Å; F30-W214 VanDerWaalsContact CE1-CZ2 3.49Å; S130-W214 PolarHBondContact O-NE1 3.37Å; S130-W214 PolarHBondContact OG-NE1 3.09Å; W132-W214 AromaticContact CD1-CH2 3.96Å; W132-W214 HydrophobicContact CD2-CH2 4.49Å; W132-W214 AromaticContact CE2-CH2 3.66Å; W132-W214 AromaticContact CZ2-CH2 3.95Å; W132-W214 HydrophobicContact CZ2-CH2 3.95Å; W132-W214 AromaticContact NE1-CH2 3.28Å; W132-W214 VanDerWaalsContact NE1-CH2 3.28Å; W132-W214 AromaticContact NE1-CZ3 3.91Å; R140-W214 HydrophobicContact CB-CB 3.8Å; R140-W214 HydrophobicContact CB-CD2 4.45Å; R140-W214 HydrophobicContact CB-CG 3.64Å; R140-W214 HydrophobicContact CG-CG 4.49Å; P141-W214 CarbonylContact O-C 3.55Å; P141-W214 VanDerWaalsContact O-CA 3.24Å; P141-W214 WeakPolarHBondContact O-CA 3.33Å
215A91.8Very high89.1Confident34 Ų3463.3 Ų63.328%0.28133%0.33SS..PPolyproline II helixtrans-78.6170.4166.300000111.2P141P141-A215 HydrophobicContact CB-CB 4.29Å; P141-A215 HydrophobicContact CG-CB 3.8Å; P141-A215 WeakPolarHBondContact CG-O 3.47Å; P141-A215 PolarHBondContact O-N 3.44Å
216V91.2Very high89.2Confident140 Ų14062.4 Ų62.485%0.84833%0.327SS*.SBendtrans-89143.9178.9-179.40000110H222V216-H222 PolarHBondContact O-CE1 2.82Å; V216-H222 VanDerWaalsContact O-CE1 3.26Å
217G89.9Confident88.8Confident30 Ų3066.8 Ų66.831%0.30935%0.348SS..SBendtrans117.7165.217500000112.4P141P141-G217 WeakPolarHBondContact CD-O 3.42Å
218T92Very high88Confident65 Ų6566 Ų6640%0.39934%0.344SS..  trans-88.2174.8178.377.10000111.7E220 D221 H222T218-E220 VanDerWaalsContact C-N 3.27Å; T218-E220 WeakPolarHBondContact CB-OE2 3.49Å; T218-E220 PolarHBondContact O-N 3.25Å; T218-E220 PolarHBondContact OG1-N 3.41Å; T218-E220 PolarHBondContact OG1-OE2 3.3Å; T218-D221 PolarHBondContact N-OD2 3.07Å; T218-D221 PolarHBondContact O-N 3.06Å; T218-D221 PolarHBondContact OG1-N 2.95Å; T218-D221 PolarHBondContact OG1-OD2 3.12Å; T218-H222 PolarHBondContact O-N 3.33Å; T218-H222 PolarHBondContact O-ND1 2.87Å
219I93.4Very high87.1Confident18 Ų1874.9 Ų74.99%0.09239%0.385CS..Hα-helixtrans-56.4-47.2170.1-71.7165.2000109.7K33 Y35 F129 F139 D221 H222 L223K33-I219 HydrophobicContact CD-CD1 3.82Å; Y35-I219 HydrophobicContact CE2-CG2 3.68Å; F129-I219 HydrophobicContact CD1-CG1 3.58Å; F129-I219 HydrophobicContact CD2-CG1 4.3Å; F129-I219 HydrophobicContact CE1-CB 4.17Å; F129-I219 HydrophobicContact CE1-CG1 3.71Å; F129-I219 HydrophobicContact CE2-CG1 4.39Å; F129-I219 HydrophobicContact CG-CG1 3.92Å; F129-I219 HydrophobicContact CZ-CB 4.33Å; F129-I219 HydrophobicContact CZ-CG1 4.11Å; F129-I219 HydrophobicContact CZ-CG2 4.3Å; F139-I219 HydrophobicContact CB-CD1 3.69Å; F139-I219 HydrophobicContact CB-CG1 4.29Å; F139-I219 HydrophobicContact CG-CD1 4.4Å; I219-D221 VanDerWaalsContact C-N 3.31Å; I219-D221 PolarHBondContact O-N 2.92Å; I219-H222 PolarHBondContact O-N 3.43Å; I219-H222 VanDerWaalsContact O-N 3.09Å; I219-L223 HydrophobicContact CG2-CD1 3.46Å; I219-L223 VanDerWaalsContact CG2-CD1 3.46Å; I219-L223 HydrophobicContact CG2-CG 3.8Å; I219-L223 VanDerWaalsContact O-CG 3.32Å; I219-L223 WeakPolarHBondContact O-CG 3.28Å; I219-L223 PolarHBondContact O-N 3Å
220E93Very high87.5Confident112 Ų11271.8 Ų71.852%0.52337%0.372SS..Hα-helixtrans-60.5-39.6-177.2-6171.3-154.700112T218 H222 L223 R224T218-E220 VanDerWaalsContact C-N 3.27Å; T218-E220 WeakPolarHBondContact CB-OE2 3.49Å; T218-E220 PolarHBondContact O-N 3.25Å; T218-E220 PolarHBondContact OG1-N 3.41Å; T218-E220 PolarHBondContact OG1-OE2 3.3Å; E220-H222 VanDerWaalsContact C-N 3.27Å; E220-H222 PolarHBondContact O-N 2.85Å; E220-L223 PolarHBondContact O-N 3.02Å; E220-R224 WeakPolarHBondContact O-CB 3.45Å; E220-R224 PolarHBondContact O-N 3.1Å
221D93.3Very high87.6Confident72 Ų7272.7 Ų72.739%0.38538%0.379SS..Hα-helixtrans-60.4-39177-66.6-35.5000111.9T218 I219 R224T218-D221 PolarHBondContact N-OD2 3.07Å; T218-D221 PolarHBondContact O-N 3.06Å; T218-D221 PolarHBondContact OG1-N 2.95Å; T218-D221 PolarHBondContact OG1-OD2 3.12Å; I219-D221 VanDerWaalsContact C-N 3.31Å; I219-D221 PolarHBondContact O-N 2.92Å; D221-R224 IonicContact OD1-NH2 3.31Å; D221-R224 PolarHBondContact OD1-NH2 3.03Å
222H93.2Very high87.9Confident55 Ų5576.8 Ų76.826%0.25540%0.4SS..Hα-helixtrans-83.1-26.5-179.3-69.275.1000113F129 V216 T218 I219 E220 P225F129-H222 HydrophobicContact CE1-CB 4.09Å; F129-H222 HydrophobicContact CZ-CB 3.81Å; V216-H222 PolarHBondContact O-CE1 2.82Å; V216-H222 VanDerWaalsContact O-CE1 3.26Å; T218-H222 PolarHBondContact O-N 3.33Å; T218-H222 PolarHBondContact O-ND1 2.87Å; I219-H222 PolarHBondContact O-N 3.43Å; I219-H222 VanDerWaalsContact O-N 3.09Å; E220-H222 VanDerWaalsContact C-N 3.27Å; E220-H222 PolarHBondContact O-N 2.85Å; H222-P225 WeakPolarHBondContact O-CD 3.35Å
223L93.5Very high88.3Confident6 Ų677.9 Ų77.93%0.03140%0.402CS..Hα-helixtrans-80.5-28.6175.1-67.7-173.3000112.6Y35 L49 L127 I219 E220 P225 Y226 M227Y35-L223 HydrophobicContact CD1-CD1 3.99Å; Y35-L223 HydrophobicContact CD1-CD2 3.98Å; Y35-L223 HydrophobicContact CD2-CD1 4.41Å; Y35-L223 HydrophobicContact CD2-CD2 4.01Å; Y35-L223 HydrophobicContact CE1-CD1 3.73Å; Y35-L223 HydrophobicContact CE2-CD1 4.16Å; Y35-L223 HydrophobicContact CG-CD1 4.31Å; Y35-L223 HydrophobicContact CG-CD2 3.68Å; L49-L223 HydrophobicContact CD1-CD2 4.16Å; L49-L223 HydrophobicContact CD2-CD2 4.25Å; L127-L223 HydrophobicContact CD1-CD2 3.57Å; I219-L223 HydrophobicContact CG2-CD1 3.46Å; I219-L223 VanDerWaalsContact CG2-CD1 3.46Å; I219-L223 HydrophobicContact CG2-CG 3.8Å; I219-L223 VanDerWaalsContact O-CG 3.32Å; I219-L223 WeakPolarHBondContact O-CG 3.28Å; I219-L223 PolarHBondContact O-N 3Å; E220-L223 PolarHBondContact O-N 3.02Å; L223-P225 VanDerWaalsContact C-N 3.3Å; L223-P225 VanDerWaalsContact O-N 3.09Å; L223-Y226 CarbonylContact O-C 3.53Å; L223-Y226 WeakPolarHBondContact O-CA 3.45Å; L223-Y226 PolarHBondContact O-N 3.26Å; L223-M227 HydrophobicContact CB-CG 4.02Å; L223-M227 HydrophobicContact CB-SD 4.27Å; L223-M227 WeakPolarHBondContact O-CG 3.46Å; L223-M227 PolarHBondContact O-N 3.02Å
224R91.6Very high88.3Confident172 Ų17277.2 Ų77.265%0.64940%0.402SS*.THydrogen-bonded Turntrans-46-42.3-174.9-171.6-178.7-65.5156.88.9114.3E220 D221 Y226E220-R224 WeakPolarHBondContact O-CB 3.45Å; E220-R224 PolarHBondContact O-N 3.1Å; D221-R224 IonicContact OD1-NH2 3.31Å; D221-R224 PolarHBondContact OD1-NH2 3.03Å; R224-Y226 PolarHBondContact O-N 3.19Å
225P91Very high88Confident96 Ų9678.2 Ų78.262%0.62341%0.413SS*.THydrogen-bonded Turntrans-64.8-17.4177.6-21.935.1000115H222 L223H222-P225 WeakPolarHBondContact O-CD 3.35Å; L223-P225 VanDerWaalsContact C-N 3.3Å; L223-P225 VanDerWaalsContact O-N 3.09Å
226Y91.6Very high87.7Confident38 Ų3881.4 Ų81.415%0.14942%0.422CS..THydrogen-bonded Turntrans-116-11-173.7-50.1-71.6000113.6A37 V39 V125 L127 L223 R224A37-Y226 HydrophobicContact CB-CD1 3.7Å; A37-Y226 HydrophobicContact CB-CD2 4.46Å; A37-Y226 HydrophobicContact CB-CE1 4.33Å; A37-Y226 HydrophobicContact CB-CG 3.78Å; V39-Y226 HydrophobicContact CG2-CD1 3.89Å; V39-Y226 HydrophobicContact CG2-CE1 3.69Å; V125-Y226 HydrophobicContact CB-CE1 4.47Å; V125-Y226 HydrophobicContact CG2-CE1 4.23Å; L127-Y226 HydrophobicContact CD1-CD2 3.87Å; L127-Y226 HydrophobicContact CD1-CE2 3.91Å; L127-Y226 HydrophobicContact CD2-CE2 4.39Å; L223-Y226 CarbonylContact O-C 3.53Å; L223-Y226 WeakPolarHBondContact O-CA 3.45Å; L223-Y226 PolarHBondContact O-N 3.26Å; R224-Y226 PolarHBondContact O-N 3.19Å
227M83.6Confident87.4Confident91 Ų9176.8 Ų76.845%0.44839%0.39SS..  trans-66.7136.4-179.3-74.1-174.278.500110.6L49 L223 E229L49-M227 HydrophobicContact CD2-CG 4.14Å; L223-M227 HydrophobicContact CB-CG 4.02Å; L223-M227 HydrophobicContact CB-SD 4.27Å; L223-M227 WeakPolarHBondContact O-CG 3.46Å; L223-M227 PolarHBondContact O-N 3.02Å; M227-E229 PolarHBondContact O-N 3.29Å
228P67.8Low87.2Confident33 Ų3380.8 Ų80.821%0.21440%0.396CS..  trans-70121.516429.1-30.1000108.5K46 R101K46-P228 HydrophobicContact CB-CB 4.39Å; K46-P228 HydrophobicContact CD-CB 3.83Å; R101-P228 HydrophobicContact CG-CG 4.28Å
229E62.7Low86.8Confident211 Ų21182.2 Ų82.299%0.98640%0.396SS*.  trans-52.20168.5-54175.615000111.7K46 M227K46-E229 VanDerWaalsContact NZ-CB 3.34Å; K46-E229 VanDerWaalsContact NZ-N 3.19Å; K46-E229 PolarHBondContact NZ-O 2.87Å; M227-E229 PolarHBondContact O-N 3.29Å

Retrieved 229 of 229 residues in 774.5 ms (Link to these results)

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