G4VHM9_SCHMA Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession G4VHM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 445 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
1M34.7Very low60.7Low238 Ų238108.2 Ų108.2100%1.17259%0.59SS**  090.30-75.2168.9159.900106.3N3M1-N3 PolarHBondContact O-N 3.23Å
2S38Very low63Low117 Ų117101.4 Ų101.482%0.81855%0.552SS**  trans-70.4107.616945.80000106.2S4S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 2.75Å
3N39.1Very low65.2Low138 Ų13893.8 Ų93.874%0.73851%0.511SS*.  trans-55.8105159.8-80.1-9.4000105.5M1 D5M1-N3 PolarHBondContact O-N 3.23Å; N3-D5 PolarHBondContact O-N 3.24Å
4S45.3Very low67Low79 Ų7994.1 Ų94.155%0.55251%0.505SS*.  trans-63.796.2161.5490000104.9S2 Y6S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 2.75Å; S4-Y6 VanDerWaalsContact C-N 3.3Å; S4-Y6 VanDerWaalsContact O-CD2 3.27Å; S4-Y6 WeakPolarHBondContact O-CD2 3.35Å; S4-Y6 PolarHBondContact O-N 2.92Å; S4-Y6 WeakPolarHBondContact OG-CE2 3.37Å
5D48.3Very low68.6Low123 Ų12393.1 Ų93.166%0.65850%0.499SS*.  trans-60.2100.2171-77.8-30.2000106.6N3 S7N3-D5 PolarHBondContact O-N 3.24Å; D5-S7 PolarHBondContact O-N 3.37Å
6Y53Low70.2Confident163 Ų16387.4 Ų87.464%0.63947%0.468SS*.THydrogen-bonded Turntrans-66.741.2169.1-76.3-86.7000110.8S4 L15S4-Y6 VanDerWaalsContact C-N 3.3Å; S4-Y6 VanDerWaalsContact O-CD2 3.27Å; S4-Y6 WeakPolarHBondContact O-CD2 3.35Å; S4-Y6 PolarHBondContact O-N 2.92Å; S4-Y6 WeakPolarHBondContact OG-CE2 3.37Å; Y6-L15 HydrophobicContact CD1-CD1 3.91Å; Y6-L15 HydrophobicContact CE1-CD1 3.96Å
7S68.8Low71.7Confident62 Ų6282.8 Ų82.843%0.43444%0.443SS..THydrogen-bonded Turntrans-102.7-15.2-173.760.80000113.3D5 P9 H104D5-S7 PolarHBondContact O-N 3.37Å; S7-P9 WeakPolarHBondContact O-CD 3.31Å; S7-H104 PolarHBondContact O-NE2 3.35Å
8D83Confident72.9Confident78 Ų7883.6 Ų83.642%0.41744%0.444SS..  trans-71.1119.5177.5-168-16.3000110D10 D11 I12D8-D10 PolarHBondContact O-N 3.45Å; D8-D10 PolarHBondContact OD1-N 3.23Å; D8-D10 VanDerWaalsContact OD1-N 3.12Å; D8-D11 HydrophobicContact CB-CB 4.32Å; D8-D11 PolarHBondContact O-N 2.95Å; D8-D11 VanDerWaalsContact O-N 3.08Å; D8-I12 PolarHBondContact O-N 3.24Å; D8-I12 VanDerWaalsContact O-N 3.16Å
9P83.3Confident74Confident30 Ų3084.8 Ų84.820%0.19545%0.445CS..Hα-helixtrans-51-35.9175.8-28.536.6000113.9S7 D11 I12 Q13 S99S7-P9 WeakPolarHBondContact O-CD 3.31Å; P9-D11 VanDerWaalsContact C-N 3.35Å; P9-D11 PolarHBondContact O-N 2.84Å; P9-I12 PolarHBondContact O-N 3.47Å; P9-Q13 VanDerWaalsContact O-CG 3.29Å; P9-Q13 WeakPolarHBondContact O-CG 3.42Å; P9-Q13 PolarHBondContact O-N 2.88Å; P9-S99 VanDerWaalsContact CB-O 3.32Å; P9-S99 WeakPolarHBondContact CB-O 3.22Å
10D86.2Confident75Confident80 Ų8080.6 Ų80.643%0.42842%0.423SS..Hα-helixtrans-66.8-36.3-179.6-80.7-14.2000111.9D8 K14 R40D8-D10 PolarHBondContact O-N 3.45Å; D8-D10 PolarHBondContact OD1-N 3.23Å; D8-D10 VanDerWaalsContact OD1-N 3.12Å; D10-K14 WeakPolarHBondContact O-CB 3.43Å; D10-K14 PolarHBondContact O-N 3.43Å; D10-K14 VanDerWaalsContact O-N 3.09Å; D10-R40 IonicContact OD1-NH1 2.75Å
11D87.6Confident75.8Confident82 Ų8280.2 Ų80.244%0.43942%0.421SS..Hα-helixtrans-70.8-39175.7-77.9-26.4000111.1D8 P9 K14 L15D8-D11 HydrophobicContact CB-CB 4.32Å; D8-D11 PolarHBondContact O-N 2.95Å; D8-D11 VanDerWaalsContact O-N 3.08Å; P9-D11 VanDerWaalsContact C-N 3.35Å; P9-D11 PolarHBondContact O-N 2.84Å; D11-K14 PolarHBondContact O-N 3.45Å; D11-L15 WeakPolarHBondContact O-CG 2.93Å; D11-L15 PolarHBondContact O-N 3.01Å
12I88.8Confident78.6Confident27 Ų2772 Ų7214%0.13839%0.387CS..Hα-helixtrans-65.2-45.9176.7-60.3169000110.7D8 P9 K14 L15 E16 P102 M143D8-I12 PolarHBondContact O-N 3.24Å; D8-I12 VanDerWaalsContact O-N 3.16Å; P9-I12 PolarHBondContact O-N 3.47Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.21Å; I12-L15 PolarHBondContact O-N 3.48Å; I12-E16 PolarHBondContact O-N 3.44Å; I12-P102 HydrophobicContact CB-CG 4.46Å; I12-P102 HydrophobicContact CD1-CG 4.49Å; I12-P102 HydrophobicContact CG2-CG 3.63Å; I12-M143 HydrophobicContact CG2-CG 4.18Å; I12-M143 HydrophobicContact CG2-SD 4.36Å
13Q91.2Very high81Confident3 Ų369.5 Ų69.51%0.01436%0.364CS..Hα-helixtrans-58.6-43.6175.8-74.7-179.434.500111.8P9 L15 E16 I17 L97 P98 Y101P9-Q13 VanDerWaalsContact O-CG 3.29Å; P9-Q13 WeakPolarHBondContact O-CG 3.42Å; P9-Q13 PolarHBondContact O-N 2.88Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 3.34Å; Q13-E16 PolarHBondContact O-N 3.01Å; Q13-I17 WeakPolarHBondContact O-CG1 3.36Å; Q13-I17 PolarHBondContact O-N 3.43Å; Q13-L97 HydrophobicContact CB-CD1 4.3Å; Q13-L97 HydrophobicContact CG-CD1 4.09Å; Q13-P98 PolarHBondContact NE2-O 3.08Å; Q13-Y101 HydrophobicContact CG-CD1 3.84Å; Q13-Y101 HydrophobicContact CG-CE1 4.41Å; Q13-Y101 VanDerWaalsContact CG-O 3.32Å; Q13-Y101 WeakPolarHBondContact CG-O 3.41Å; Q13-Y101 PolarHBondContact NE2-O 2.84Å
14K90.5Very high83.4Confident97 Ų9763.7 Ų63.742%0.42233%0.332SS..Hα-helixtrans-60-44.6177.7-176.8-176.4167-167.30111D10 D11 I12 I17 E18D10-K14 WeakPolarHBondContact O-CB 3.43Å; D10-K14 PolarHBondContact O-N 3.43Å; D10-K14 VanDerWaalsContact O-N 3.09Å; D11-K14 PolarHBondContact O-N 3.45Å; I12-K14 VanDerWaalsContact C-N 3.3Å; I12-K14 PolarHBondContact O-N 3.21Å; K14-I17 PolarHBondContact O-N 3.24Å; K14-E18 WeakPolarHBondContact CE-OE1 3.5Å; K14-E18 HydrophobicContact CG-CG 4.43Å; K14-E18 IonicContact NZ-OE1 2.68Å; K14-E18 WeakPolarHBondContact O-CB 3.44Å; K14-E18 WeakPolarHBondContact O-CG 3.39Å; K14-E18 PolarHBondContact O-N 3.17Å
15L91.9Very high85.2Confident79 Ų7966.1 Ų66.141%0.41434%0.335SS..Hα-helixtrans-62.8-42.4176.6-70.9171000112.3Y6 D11 I12 Q13 E18 F19Y6-L15 HydrophobicContact CD1-CD1 3.91Å; Y6-L15 HydrophobicContact CE1-CD1 3.96Å; D11-L15 WeakPolarHBondContact O-CG 2.93Å; D11-L15 PolarHBondContact O-N 3.01Å; I12-L15 PolarHBondContact O-N 3.48Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 3.34Å; L15-E18 PolarHBondContact O-N 2.95Å; L15-F19 VanDerWaalsContact O-CB 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.33Å; L15-F19 PolarHBondContact O-N 3.48Å
16E94.4Very high86.6Confident3 Ų367.3 Ų67.31%0.01434%0.341CS..Hα-helixtrans-59.7-48.3176.5-168.6173-168.700111.3I12 Q13 F19 L20 Y101 M143 T144 L145I12-E16 PolarHBondContact O-N 3.44Å; Q13-E16 PolarHBondContact O-N 3.01Å; E16-F19 PolarHBondContact O-N 2.89Å; E16-L20 HydrophobicContact CG-CD1 4.24Å; E16-L20 VanDerWaalsContact O-CG 3.28Å; E16-L20 WeakPolarHBondContact O-CG 3.38Å; E16-L20 PolarHBondContact O-N 2.92Å; E16-Y101 VanDerWaalsContact CD-OH 3.22Å; E16-Y101 PolarHBondContact OE1-OH 3.09Å; E16-Y101 WeakPolarHBondContact OE2-CE1 3.36Å; E16-Y101 VanDerWaalsContact OE2-CZ 3.26Å; E16-Y101 PolarHBondContact OE2-OH 3.38Å; E16-M143 HydrophobicContact CB-CB 4.45Å; E16-M143 HydrophobicContact CB-CG 3.92Å; E16-M143 HydrophobicContact CB-SD 3.51Å; E16-M143 VanDerWaalsContact CB-SD 3.51Å; E16-M143 VanDerWaalsContact CD-CB 3.41Å; E16-M143 HydrophobicContact CG-CB 3.88Å; E16-M143 HydrophobicContact CG-CG 3.91Å; E16-M143 HydrophobicContact CG-SD 3.88Å; E16-M143 VanDerWaalsContact OE1-C 3.28Å; E16-M143 WeakPolarHBondContact OE1-CA 3.42Å; E16-M143 WeakPolarHBondContact OE1-CB 3.35Å; E16-T144 PolarHBondContact OE1-N 3.21Å; E16-T144 VanDerWaalsContact OE1-N 3.14Å; E16-L145 HydrophobicContact CG-CD1 4.31Å; E16-L145 VanDerWaalsContact OE1-CB 3.24Å; E16-L145 WeakPolarHBondContact OE1-CB 3.42Å; E16-L145 WeakPolarHBondContact OE1-CG 3.24Å; E16-L145 PolarHBondContact OE1-N 2.9Å
17I94.5Very high87.7Confident9 Ų963.1 Ų63.15%0.04633%0.33CS..Hα-helixtrans-66.6-44.1-179.6-63.9-62.2000111.5Q13 K14 F19 L20 L21 Y35 F95 L97 L145Q13-I17 WeakPolarHBondContact O-CG1 3.36Å; Q13-I17 PolarHBondContact O-N 3.43Å; K14-I17 PolarHBondContact O-N 3.24Å; I17-F19 VanDerWaalsContact C-N 3.28Å; I17-F19 PolarHBondContact O-N 3.18Å; I17-L20 PolarHBondContact O-N 3.32Å; I17-L21 HydrophobicContact CG2-CD1 3.8Å; I17-L21 HydrophobicContact CG2-CG 4.21Å; I17-L21 WeakPolarHBondContact O-CB 3.35Å; I17-L21 VanDerWaalsContact O-CG 3.25Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.12Å; I17-Y35 HydrophobicContact CB-CD1 4.33Å; I17-Y35 HydrophobicContact CD1-CD1 4.45Å; I17-Y35 HydrophobicContact CD1-CD2 3.81Å; I17-Y35 HydrophobicContact CD1-CE2 4.12Å; I17-Y35 HydrophobicContact CD1-CG 3.99Å; I17-Y35 HydrophobicContact CG1-CD1 3.97Å; I17-Y35 HydrophobicContact CG1-CD2 4.15Å; I17-Y35 HydrophobicContact CG1-CE1 4Å; I17-Y35 HydrophobicContact CG1-CE2 4.22Å; I17-Y35 HydrophobicContact CG1-CG 4.03Å; I17-Y35 HydrophobicContact CG2-CD1 3.73Å; I17-Y35 HydrophobicContact CG2-CE1 4.48Å; I17-Y35 HydrophobicContact CG2-CG 3.84Å; I17-F95 HydrophobicContact CD1-CE2 3.96Å; I17-F95 HydrophobicContact CD1-CZ 4.05Å; I17-L97 HydrophobicContact CD1-CD1 4.28Å; I17-L97 HydrophobicContact CG1-CD1 4.4Å; I17-L145 HydrophobicContact CD1-CD1 3.91Å
18E94.1Very high88Confident96 Ų9667.2 Ų67.245%0.44934%0.342SS..Hα-helixtrans-60.4-40.4176.3-76.2178.6171.200111.3K14 L15 S22K14-E18 WeakPolarHBondContact CE-OE1 3.5Å; K14-E18 HydrophobicContact CG-CG 4.43Å; K14-E18 IonicContact NZ-OE1 2.68Å; K14-E18 WeakPolarHBondContact O-CB 3.44Å; K14-E18 WeakPolarHBondContact O-CG 3.39Å; K14-E18 PolarHBondContact O-N 3.17Å; L15-E18 PolarHBondContact O-N 2.95Å; E18-S22 PolarHBondContact O-N 3.17Å
19F93.5Very high87.7Confident108 Ų10867.2 Ų67.247%0.47434%0.342SS..Hα-helixtrans-63.2-49.7175.1177.5-113.7000112L15 E16 I17 L21 S22 I23 L146L15-F19 VanDerWaalsContact O-CB 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.33Å; L15-F19 PolarHBondContact O-N 3.48Å; E16-F19 PolarHBondContact O-N 2.89Å; I17-F19 VanDerWaalsContact C-N 3.28Å; I17-F19 PolarHBondContact O-N 3.18Å; F19-L21 PolarHBondContact O-N 3.01Å; F19-S22 WeakPolarHBondContact O-CB 3.39Å; F19-S22 PolarHBondContact O-N 3.21Å; F19-S22 VanDerWaalsContact O-N 3.17Å; F19-S22 PolarHBondContact O-OG 3.28Å; F19-I23 HydrophobicContact CD1-CD1 3.94Å; F19-I23 HydrophobicContact CE1-CD1 3.5Å; F19-I23 VanDerWaalsContact CE1-CD1 3.5Å; F19-I23 HydrophobicContact CE2-CD1 4.14Å; F19-I23 HydrophobicContact CG-CD1 4.46Å; F19-I23 HydrophobicContact CZ-CD1 3.61Å; F19-I23 HydrophobicContact CZ-CG1 4.41Å; F19-I23 PolarHBondContact O-N 2.83Å; F19-I23 VanDerWaalsContact O-N 3.14Å; F19-L146 HydrophobicContact CE1-CD2 3.92Å
20L94.2Very high87.7Confident0 Ų069 Ų690%035%0.347CS..Hα-helixtrans-61.9-42.1177.7-68172.1000112.3E16 I17 S22 I23 F24 L33 L145 L146 I149E16-L20 HydrophobicContact CG-CD1 4.24Å; E16-L20 VanDerWaalsContact O-CG 3.28Å; E16-L20 WeakPolarHBondContact O-CG 3.38Å; E16-L20 PolarHBondContact O-N 2.92Å; I17-L20 PolarHBondContact O-N 3.32Å; L20-S22 VanDerWaalsContact C-N 3.27Å; L20-S22 PolarHBondContact O-N 3.23Å; L20-I23 PolarHBondContact O-N 3.39Å; L20-I23 VanDerWaalsContact O-N 3.14Å; L20-F24 HydrophobicContact CB-CE2 4.46Å; L20-F24 HydrophobicContact CD2-CE2 4.14Å; L20-F24 WeakPolarHBondContact O-CD2 3.33Å; L20-F24 PolarHBondContact O-N 2.89Å; L20-F24 VanDerWaalsContact O-N 3.12Å; L20-L33 HydrophobicContact CB-CD2 3.4Å; L20-L33 VanDerWaalsContact CB-CD2 3.4Å; L20-L33 HydrophobicContact CD1-CD2 4.42Å; L20-L145 HydrophobicContact CD1-CB 3.68Å; L20-L145 HydrophobicContact CD1-CD1 3.77Å; L20-L145 HydrophobicContact CD1-CG 4.42Å; L20-L146 HydrophobicContact CD2-CB 3.85Å; L20-L146 HydrophobicContact CD2-CD1 3.94Å; L20-L146 HydrophobicContact CD2-CG 4.44Å; L20-I149 HydrophobicContact CD2-CD1 4.28Å
21L92.7Very high87.9Confident72 Ų7265.5 Ų65.538%0.37733%0.329SS..Hα-helixtrans-58.4-41.9175.6-74.5169.8000110.9I17 F19 I23 F24 E25 L33I17-L21 HydrophobicContact CG2-CD1 3.8Å; I17-L21 HydrophobicContact CG2-CG 4.21Å; I17-L21 WeakPolarHBondContact O-CB 3.35Å; I17-L21 VanDerWaalsContact O-CG 3.25Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.12Å; F19-L21 PolarHBondContact O-N 3.01Å; L21-I23 VanDerWaalsContact C-N 3.3Å; L21-I23 PolarHBondContact O-N 3.32Å; L21-F24 PolarHBondContact O-N 3.36Å; L21-E25 WeakPolarHBondContact O-CB 3.34Å; L21-E25 PolarHBondContact O-N 3.27Å; L21-L33 HydrophobicContact CD2-CB 4.21Å; L21-L33 HydrophobicContact CD2-CD2 3.99Å; L21-L33 HydrophobicContact CD2-CG 4.05Å; L21-L33 HydrophobicContact CG-CD2 4.09Å
22S91.7Very high88.2Confident66 Ų6665.4 Ų65.446%0.46233%0.328SS..Hα-helixtrans-64.1-32177.380.40000113.7E18 F19 L20E18-S22 PolarHBondContact O-N 3.17Å; F19-S22 WeakPolarHBondContact O-CB 3.39Å; F19-S22 PolarHBondContact O-N 3.21Å; F19-S22 VanDerWaalsContact O-N 3.17Å; F19-S22 PolarHBondContact O-OG 3.28Å; L20-S22 VanDerWaalsContact C-N 3.27Å; L20-S22 PolarHBondContact O-N 3.23Å
23I89.9Confident88.5Confident64 Ų6464.8 Ų64.833%0.32833%0.325SS..Hα-helixtrans-70.2-43.1176.7-68.8168000110.6F19 L20 L21 L146F19-I23 HydrophobicContact CD1-CD1 3.94Å; F19-I23 HydrophobicContact CE1-CD1 3.5Å; F19-I23 VanDerWaalsContact CE1-CD1 3.5Å; F19-I23 HydrophobicContact CE2-CD1 4.14Å; F19-I23 HydrophobicContact CG-CD1 4.46Å; F19-I23 HydrophobicContact CZ-CD1 3.61Å; F19-I23 HydrophobicContact CZ-CG1 4.41Å; F19-I23 PolarHBondContact O-N 2.83Å; F19-I23 VanDerWaalsContact O-N 3.14Å; L20-I23 PolarHBondContact O-N 3.39Å; L20-I23 VanDerWaalsContact O-N 3.14Å; L21-I23 VanDerWaalsContact C-N 3.3Å; L21-I23 PolarHBondContact O-N 3.32Å; I23-L146 HydrophobicContact CD1-CD1 4.24Å; I23-L146 HydrophobicContact CD1-CD2 4.32Å
24F89Confident88.6Confident17 Ų1769.7 Ų69.78%0.07535%0.348CS..Hα-helixtrans-96-4.2-171-58.7-60.9000114.7L20 L21 N26 N27 C31 L33 F44 I149L20-F24 HydrophobicContact CB-CE2 4.46Å; L20-F24 HydrophobicContact CD2-CE2 4.14Å; L20-F24 WeakPolarHBondContact O-CD2 3.33Å; L20-F24 PolarHBondContact O-N 2.89Å; L20-F24 VanDerWaalsContact O-N 3.12Å; L21-F24 PolarHBondContact O-N 3.36Å; F24-N26 VanDerWaalsContact C-N 3.3Å; F24-N26 PolarHBondContact O-N 3.34Å; F24-N27 PolarHBondContact O-N 3.19Å; F24-N27 VanDerWaalsContact O-N 3.12Å; F24-C31 WeakPolarHBondContact CD1-SG 3.4Å; F24-L33 HydrophobicContact CD2-CB 4.44Å; F24-L33 HydrophobicContact CD2-CD2 4.25Å; F24-F44 HydrophobicContact CD1-CE2 4.02Å; F24-F44 HydrophobicContact CD1-CZ 4.39Å; F24-F44 HydrophobicContact CD2-CD2 4.46Å; F24-F44 AromaticContact CD2-CE2 3.87Å; F24-F44 HydrophobicContact CD2-CE2 3.87Å; F24-F44 AromaticContact CE1-CE2 3.96Å; F24-F44 HydrophobicContact CE1-CE2 3.96Å; F24-F44 HydrophobicContact CE1-CZ 4.01Å; F24-F44 HydrophobicContact CE2-CD2 4.44Å; F24-F44 AromaticContact CE2-CE2 3.83Å; F24-F44 HydrophobicContact CE2-CE2 3.83Å; F24-F44 HydrophobicContact CE2-CZ 4.44Å; F24-F44 AromaticContact CG-CE2 3.99Å; F24-F44 HydrophobicContact CG-CE2 3.99Å; F24-F44 AromaticContact CZ-CE2 3.88Å; F24-F44 HydrophobicContact CZ-CE2 3.88Å; F24-F44 HydrophobicContact CZ-CZ 4.05Å; F24-I149 HydrophobicContact CE2-CD1 4.01Å; F24-I149 HydrophobicContact CE2-CG2 4.46Å; F24-I149 HydrophobicContact CZ-CD1 4.37Å; F24-I149 HydrophobicContact CZ-CG2 3.77Å
25E83.5Confident88.9Confident130 Ų13067.8 Ų67.861%0.60734%0.339SS*.G310 helixtrans-56.2-39-177.7-170.5174.1-168.300113.4L21 Q28L21-E25 WeakPolarHBondContact O-CB 3.34Å; L21-E25 PolarHBondContact O-N 3.27Å; E25-Q28 WeakPolarHBondContact O-CG 3.43Å
26N76.3Confident89Confident148 Ų14867.6 Ų67.679%0.79134%0.338SS*.G310 helixtrans-87-4.9-177.5-68.1-47.2000114.1F24F24-N26 VanDerWaalsContact C-N 3.3Å; F24-N26 PolarHBondContact O-N 3.34Å
27N77.4Confident88.8Confident75 Ų7574.5 Ų74.540%0.40137%0.368SS..G310 helixtrans-108.127.4-173.3-73.9-18.5000113.1F24 N29 H30 C31F24-N27 PolarHBondContact O-N 3.19Å; F24-N27 VanDerWaalsContact O-N 3.12Å; N27-N29 PolarHBondContact O-N 3.17Å; N27-H30 PolarHBondContact O-N 3.48Å; N27-C31 PolarHBondContact O-N 2.74Å
28Q74.1Confident88.6Confident147 Ų14782 Ų8269%0.68741%0.407SS*.THydrogen-bonded Turntrans-55.1-25.5-173.2-64.6-175-5.900114.7E25 H30 C31E25-Q28 WeakPolarHBondContact O-CG 3.43Å; Q28-H30 VanDerWaalsContact C-N 3.32Å; Q28-C31 WeakPolarHBondContact CA-O 3.4Å
29N77.2Confident88.6Confident79 Ų7979.8 Ų79.842%0.42240%0.402SS..THydrogen-bonded Turntrans-79-14.7177.2-65.5-36.4000113.9N27 V208N27-N29 PolarHBondContact O-N 3.17Å; N29-V208 HydrophobicContact CB-CG1 4.21Å
30H82.9Confident88.6Confident66 Ų6678.4 Ų78.431%0.30639%0.394SS..THydrogen-bonded Turntrans-114.5-37-175.4-65.3-78.3000112.5N27 Q28 F46 H47N27-H30 PolarHBondContact O-N 3.48Å; Q28-H30 VanDerWaalsContact C-N 3.32Å; H30-F46 WeakPolarHBondContact O-CA 3.35Å; H30-H47 PolarHBondContact O-N 3.11Å
31C91.4Very high88.8Confident7 Ų785.5 Ų85.55%0.04742%0.421CS..EExtended strand (participates in β ladder)trans-149154.7179.660.30000112.6F24 N27 Q28 F44 T45 F46F24-C31 WeakPolarHBondContact CD1-SG 3.4Å; N27-C31 PolarHBondContact O-N 2.74Å; Q28-C31 WeakPolarHBondContact CA-O 3.4Å; C31-F44 HydrophobicContact CB-CE2 3.84Å; C31-F44 HydrophobicContact CB-CZ 3.81Å; C31-T45 CarbonylContact C-O 3.19Å; C31-T45 WeakPolarHBondContact CA-O 3.41Å; C31-F46 HydrophobicContact CB-CB 3.72Å
32L93.3Very high89Confident81 Ų8182.4 Ų82.442%0.42441%0.406SS..EExtended strand (participates in β ladder)trans-135.2126.2176.4178.165.8000109.1E34 F44 T45L32-E34 HydrophobicContact CD1-CG 4.36Å; L32-E34 HydrophobicContact CD2-CG 4.14Å; L32-E34 HydrophobicContact CG-CG 4.02Å; L32-F44 WeakPolarHBondContact O-CA 3.32Å; L32-T45 PolarHBondContact N-O 2.78Å; L32-T45 PolarHBondContact O-N 3.31Å
33L94.6Very high89.2Confident13 Ų1380.5 Ų80.57%0.06839%0.393CS..EExtended strand (participates in β ladder)trans-109.1124.5170.917965.6000109.2L20 L21 F24 S43 F44 F95L20-L33 HydrophobicContact CB-CD2 3.4Å; L20-L33 VanDerWaalsContact CB-CD2 3.4Å; L20-L33 HydrophobicContact CD1-CD2 4.42Å; L21-L33 HydrophobicContact CD2-CB 4.21Å; L21-L33 HydrophobicContact CD2-CD2 3.99Å; L21-L33 HydrophobicContact CD2-CG 4.05Å; L21-L33 HydrophobicContact CG-CD2 4.09Å; F24-L33 HydrophobicContact CD2-CB 4.44Å; F24-L33 HydrophobicContact CD2-CD2 4.25Å; L33-S43 WeakPolarHBondContact CA-O 3.27Å; L33-F44 HydrophobicContact CB-CD2 4.2Å; L33-F44 HydrophobicContact CD1-CB 4.21Å; L33-F44 HydrophobicContact CD1-CD2 4.26Å; L33-F95 HydrophobicContact CD1-CE1 4Å; L33-F95 HydrophobicContact CD1-CZ 4.09Å
34E94.5Very high89.5Confident107 Ų10777.4 Ų77.450%0.538%0.377SS..EExtended strand (participates in β ladder)trans-123.1144.4173.9-63.6176.9124.200109.4L32 G42 S43L32-E34 HydrophobicContact CD1-CG 4.36Å; L32-E34 HydrophobicContact CD2-CG 4.14Å; L32-E34 HydrophobicContact CG-CG 4.02Å; E34-G42 CarbonylContact O-C 3.31Å; E34-G42 WeakPolarHBondContact O-CA 3.49Å; E34-S43 PolarHBondContact N-O 3.04Å; E34-S43 PolarHBondContact O-N 3.34Å
35Y95.3Very high89.8Confident57 Ų5778.2 Ų78.222%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-145.2124.2177.9-177.3-107.9000111I17 K37 R41 F95 L97I17-Y35 HydrophobicContact CB-CD1 4.33Å; I17-Y35 HydrophobicContact CD1-CD1 4.45Å; I17-Y35 HydrophobicContact CD1-CD2 3.81Å; I17-Y35 HydrophobicContact CD1-CE2 4.12Å; I17-Y35 HydrophobicContact CD1-CG 3.99Å; I17-Y35 HydrophobicContact CG1-CD1 3.97Å; I17-Y35 HydrophobicContact CG1-CD2 4.15Å; I17-Y35 HydrophobicContact CG1-CE1 4Å; I17-Y35 HydrophobicContact CG1-CE2 4.22Å; I17-Y35 HydrophobicContact CG1-CG 4.03Å; I17-Y35 HydrophobicContact CG2-CD1 3.73Å; I17-Y35 HydrophobicContact CG2-CE1 4.48Å; I17-Y35 HydrophobicContact CG2-CG 3.84Å; Y35-K37 HydrophobicContact CE1-CB 4.18Å; Y35-R41 WeakPolarHBondContact CD2-O 3.23Å; Y35-F95 HydrophobicContact CD2-CE2 4.03Å; Y35-F95 HydrophobicContact CD2-CZ 4.4Å; Y35-F95 HydrophobicContact CE2-CE2 4.28Å; Y35-L97 HydrophobicContact CE2-CD1 3.99Å; Y35-L97 HydrophobicContact CE2-CG 4.35Å
36D95Very high90.4Very high75 Ų7572.3 Ų72.340%0.40136%0.356SS..EExtended strand (participates in β ladder)trans-97.2108.7169.3172.626.6000110.1L38 S39 R40 R41D36-L38 VanDerWaalsContact C-N 3.27Å; D36-L38 PolarHBondContact O-N 3.49Å; D36-L38 PolarHBondContact OD1-N 2.88Å; D36-S39 PolarHBondContact O-N 2.92Å; D36-S39 WeakPolarHBondContact OD2-CB 3.25Å; D36-S39 PolarHBondContact OD2-N 3.23Å; D36-S39 PolarHBondContact OD2-OG 3.07Å; D36-R40 WeakPolarHBondContact O-CA 3.34Å; D36-R40 PolarHBondContact O-N 3Å; D36-R41 PolarHBondContact N-O 3.44Å; D36-R41 PolarHBondContact O-N 3.38Å
37K89.8Confident91.2Very high147 Ų14767.1 Ų67.164%0.63933%0.327SS*.THydrogen-bonded Turntrans-60-34.2178.9-172.3179.6-179.5-179.40112.9Y35Y35-K37 HydrophobicContact CE1-CB 4.18Å
38L90.8Very high92Very high167 Ų16763.7 Ų63.787%0.87431%0.308SS*.THydrogen-bonded Turntrans-72-42.1-175.3-68.4176.2000111.7D36D36-L38 VanDerWaalsContact C-N 3.27Å; D36-L38 PolarHBondContact O-N 3.49Å; D36-L38 PolarHBondContact OD1-N 2.88Å
39S93.7Very high92.9Very high49 Ų4960.5 Ų60.534%0.34329%0.293SS..THydrogen-bonded Turntrans-88.2-8.1176.566.10000114D36 R41D36-S39 PolarHBondContact O-N 2.92Å; D36-S39 WeakPolarHBondContact OD2-CB 3.25Å; D36-S39 PolarHBondContact OD2-N 3.23Å; D36-S39 PolarHBondContact OD2-OG 3.07Å; S39-R41 WeakPolarHBondContact O-CG 3.35Å; S39-R41 PolarHBondContact O-N 3.5Å; S39-R41 WeakPolarHBondContact OG-CB 3.3Å; S39-R41 WeakPolarHBondContact OG-CG 3.4Å
40R94.2Very high93.6Very high79 Ų7956.8 Ų56.830%0.29827%0.274SS..THydrogen-bonded Turntrans53.135.5-170.9-63.4-173.5-74.7-139.72.9112.6D10 D36 I96 L97 S99D10-R40 IonicContact OD1-NH1 2.75Å; D36-R40 WeakPolarHBondContact O-CA 3.34Å; D36-R40 PolarHBondContact O-N 3Å; R40-I96 WeakPolarHBondContact O-CA 3.17Å; R40-L97 HydrophobicContact CB-CB 4.4Å; R40-L97 WeakPolarHBondContact CB-O 3.46Å; R40-L97 WeakPolarHBondContact CD-O 3.36Å; R40-L97 PolarHBondContact NE-O 3.37Å; R40-L97 PolarHBondContact O-N 3.37Å; R40-S99 VanDerWaalsContact NH1-CA 3.33Å; R40-S99 VanDerWaalsContact NH1-CB 3.3Å; R40-S99 PolarHBondContact NH2-OG 3.01Å
41R96.8Very high93.9Very high150 Ų15063 Ų6357%0.56630%0.296SS*.EExtended strand (participates in β ladder)trans-110.5136.7179.8-61.2-170.5172.5-173.7-4.2109.7Y35 D36 S39 F95 I96Y35-R41 WeakPolarHBondContact CD2-O 3.23Å; D36-R41 PolarHBondContact N-O 3.44Å; D36-R41 PolarHBondContact O-N 3.38Å; S39-R41 WeakPolarHBondContact O-CG 3.35Å; S39-R41 PolarHBondContact O-N 3.5Å; S39-R41 WeakPolarHBondContact OG-CB 3.3Å; S39-R41 WeakPolarHBondContact OG-CG 3.4Å; R41-F95 WeakPolarHBondContact CA-O 3.31Å; R41-I96 HydrophobicContact CG-CD1 4.29Å; R41-I96 HydrophobicContact CG-CG1 4.03Å; R41-I96 HydrophobicContact CG-CG2 4.38Å
42G96.5Very high93.7Very high7 Ų769.7 Ų69.77%0.07232%0.324CS..EExtended strand (participates in β ladder)trans-131.5164.3170.300000112.6E34 T94 F95E34-G42 CarbonylContact O-C 3.31Å; E34-G42 WeakPolarHBondContact O-CA 3.49Å; G42-T94 CarbonylContact O-C 3.47Å; G42-T94 WeakPolarHBondContact O-CA 3.44Å; G42-F95 PolarHBondContact N-O 3.07Å; G42-F95 PolarHBondContact O-N 3.42Å
43S96.6Very high93.5Very high25 Ų2569.1 Ų69.118%0.17533%0.325CS..EExtended strand (participates in β ladder)trans-136.3129.2174.742.70000109.8L33 E34 M93L33-S43 WeakPolarHBondContact CA-O 3.27Å; E34-S43 PolarHBondContact N-O 3.04Å; E34-S43 PolarHBondContact O-N 3.34Å; S43-M93 CarbonylContact C-O 3.57Å; S43-M93 WeakPolarHBondContact CA-O 3.3Å
44F96.4Very high93.3Very high0 Ų068.6 Ų68.60%032%0.322CS..EExtended strand (participates in β ladder)trans-110111.3168.8-176.6-108.7000108.6F24 C31 L32 L33 F46 M93 I149 Q153F24-F44 HydrophobicContact CD1-CE2 4.02Å; F24-F44 HydrophobicContact CD1-CZ 4.39Å; F24-F44 HydrophobicContact CD2-CD2 4.46Å; F24-F44 AromaticContact CD2-CE2 3.87Å; F24-F44 HydrophobicContact CD2-CE2 3.87Å; F24-F44 AromaticContact CE1-CE2 3.96Å; F24-F44 HydrophobicContact CE1-CE2 3.96Å; F24-F44 HydrophobicContact CE1-CZ 4.01Å; F24-F44 HydrophobicContact CE2-CD2 4.44Å; F24-F44 AromaticContact CE2-CE2 3.83Å; F24-F44 HydrophobicContact CE2-CE2 3.83Å; F24-F44 HydrophobicContact CE2-CZ 4.44Å; F24-F44 AromaticContact CG-CE2 3.99Å; F24-F44 HydrophobicContact CG-CE2 3.99Å; F24-F44 AromaticContact CZ-CE2 3.88Å; F24-F44 HydrophobicContact CZ-CE2 3.88Å; F24-F44 HydrophobicContact CZ-CZ 4.05Å; C31-F44 HydrophobicContact CB-CE2 3.84Å; C31-F44 HydrophobicContact CB-CZ 3.81Å; L32-F44 WeakPolarHBondContact O-CA 3.32Å; L33-F44 HydrophobicContact CB-CD2 4.2Å; L33-F44 HydrophobicContact CD1-CB 4.21Å; L33-F44 HydrophobicContact CD1-CD2 4.26Å; F44-F46 AromaticContact CD1-CD1 3.5Å; F44-F46 HydrophobicContact CD1-CD1 3.5Å; F44-F46 AromaticContact CD1-CE1 3.92Å; F44-F46 HydrophobicContact CD1-CE1 3.92Å; F44-F46 HydrophobicContact CD1-CG 4.37Å; F44-F46 HydrophobicContact CE1-CB 4.02Å; F44-F46 AromaticContact CE1-CD1 3.28Å; F44-F46 HydrophobicContact CE1-CD1 3.28Å; F44-F46 AromaticContact CE1-CE1 3.81Å; F44-F46 HydrophobicContact CE1-CE1 3.81Å; F44-F46 AromaticContact CE1-CG 3.75Å; F44-F46 HydrophobicContact CE1-CG 3.75Å; F44-F46 HydrophobicContact CZ-CB 4.25Å; F44-F46 HydrophobicContact CZ-CD1 4.29Å; F44-F46 HydrophobicContact CZ-CG 4.41Å; F44-M93 HydrophobicContact CB-CB 4.42Å; F44-M93 HydrophobicContact CB-CE 3.8Å; F44-M93 HydrophobicContact CG-CE 4.45Å; F44-M93 PolarHBondContact N-O 3.04Å; F44-M93 PolarHBondContact O-N 3.09Å; F44-I149 HydrophobicContact CD1-CD1 4.37Å; F44-I149 HydrophobicContact CD1-CG1 4Å; F44-I149 HydrophobicContact CD1-CG2 4.1Å; F44-I149 HydrophobicContact CD2-CD1 4.16Å; F44-I149 HydrophobicContact CE1-CB 4.47Å; F44-I149 HydrophobicContact CE1-CG1 4.28Å; F44-I149 HydrophobicContact CE1-CG2 3.5Å; F44-I149 VanDerWaalsContact CE1-CG2 3.5Å; F44-I149 HydrophobicContact CE2-CD1 4.47Å; F44-I149 HydrophobicContact CE2-CG2 4.32Å; F44-I149 HydrophobicContact CG-CD1 4.09Å; F44-I149 HydrophobicContact CG-CG1 4.2Å; F44-I149 HydrophobicContact CZ-CG2 3.63Å; F44-Q153 HydrophobicContact CE1-CG 4.34Å
45T95.5Very high93.1Very high34 Ų3465.4 Ų65.421%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-109.4127.8-178.4-60.30000108.6C31 L32 V90 I92C31-T45 CarbonylContact C-O 3.19Å; C31-T45 WeakPolarHBondContact CA-O 3.41Å; L32-T45 PolarHBondContact N-O 2.78Å; L32-T45 PolarHBondContact O-N 3.31Å; T45-V90 HydrophobicContact CG2-CG2 3.38Å; T45-I92 HydrophobicContact CG2-CG1 4.01Å
46F95.1Very high92.9Very high5 Ų562.7 Ų62.72%0.02230%0.297CS..EExtended strand (participates in β ladder)trans-151.9164.817870.6-76000112H30 C31 F44 P48 F91 L152 Q153 F157H30-F46 WeakPolarHBondContact O-CA 3.35Å; C31-F46 HydrophobicContact CB-CB 3.72Å; F44-F46 AromaticContact CD1-CD1 3.5Å; F44-F46 HydrophobicContact CD1-CD1 3.5Å; F44-F46 AromaticContact CD1-CE1 3.92Å; F44-F46 HydrophobicContact CD1-CE1 3.92Å; F44-F46 HydrophobicContact CD1-CG 4.37Å; F44-F46 HydrophobicContact CE1-CB 4.02Å; F44-F46 AromaticContact CE1-CD1 3.28Å; F44-F46 HydrophobicContact CE1-CD1 3.28Å; F44-F46 AromaticContact CE1-CE1 3.81Å; F44-F46 HydrophobicContact CE1-CE1 3.81Å; F44-F46 AromaticContact CE1-CG 3.75Å; F44-F46 HydrophobicContact CE1-CG 3.75Å; F44-F46 HydrophobicContact CZ-CB 4.25Å; F44-F46 HydrophobicContact CZ-CD1 4.29Å; F44-F46 HydrophobicContact CZ-CG 4.41Å; F46-P48 HydrophobicContact CD2-CG 4.32Å; F46-P48 HydrophobicContact CE2-CB 4.1Å; F46-P48 HydrophobicContact CE2-CG 3.81Å; F46-P48 HydrophobicContact CZ-CG 4.42Å; F46-F91 HydrophobicContact CE1-CB 4.12Å; F46-F91 AromaticContact CE1-CD1 3.71Å; F46-F91 HydrophobicContact CE1-CD1 3.71Å; F46-F91 HydrophobicContact CE1-CG 4.36Å; F46-F91 HydrophobicContact CZ-CB 4.22Å; F46-F91 HydrophobicContact CZ-CD1 4Å; F46-F91 HydrophobicContact CZ-CG 4.43Å; F46-F91 PolarHBondContact N-O 3.25Å; F46-F91 PolarHBondContact O-N 3.47Å; F46-L152 HydrophobicContact CE1-CB 4.46Å; F46-L152 HydrophobicContact CZ-CB 4.03Å; F46-Q153 HydrophobicContact CD2-CG 4.05Å; F46-Q153 HydrophobicContact CE2-CG 3.84Å; F46-Q153 HydrophobicContact CZ-CG 4.2Å; F46-F157 HydrophobicContact CE2-CE2 4.02Å; F46-F157 AromaticContact CZ-CE2 3.87Å; F46-F157 HydrophobicContact CZ-CE2 3.87Å; F46-F157 HydrophobicContact CZ-CZ 4.48Å
47H94.4Very high92.7Very high40 Ų4059.9 Ų59.919%0.18528%0.281CS..  trans-100.3115.2168.1-68.7-85000108.9H30 Q49 Y87 N201 R205H30-H47 PolarHBondContact O-N 3.11Å; H47-Q49 PolarHBondContact O-N 3Å; H47-Y87 HydrophobicContact CB-CD1 4.36Å; H47-N201 PolarHBondContact CE1-OD1 3.47Å; H47-N201 PolarHBondContact ND1-OD1 2.6Å; H47-R205 VanDerWaalsContact CD2-CD 3.48Å; H47-R205 WeakPolarHBondContact CD2-CD 3.29Å; H47-R205 VanDerWaalsContact CG-CD 3.4Å
48P94.5Very high92.8Very high2 Ų252.9 Ų52.91%0.01325%0.25CS..  trans-58.4129.3176.6-20.630.5000110.3F46 Y87 L88 P89 F91 F157F46-P48 HydrophobicContact CD2-CG 4.32Å; F46-P48 HydrophobicContact CE2-CB 4.1Å; F46-P48 HydrophobicContact CE2-CG 3.81Å; F46-P48 HydrophobicContact CZ-CG 4.42Å; P48-Y87 CarbonylContact O-C 3.57Å; P48-Y87 VanDerWaalsContact O-CA 3.3Å; P48-Y87 WeakPolarHBondContact O-CA 3.49Å; P48-L88 HydrophobicContact CB-CB 4Å; P48-L88 HydrophobicContact CB-CD1 4.06Å; P48-L88 HydrophobicContact CB-CG 4.47Å; P48-L88 HydrophobicContact CG-CB 4Å; P48-L88 HydrophobicContact CG-CD1 4.47Å; P48-L88 PolarHBondContact O-N 2.97Å; P48-P89 WeakPolarHBondContact CD-O 3.39Å; P48-F91 HydrophobicContact CG-CB 4.04Å; P48-F157 HydrophobicContact CB-CD1 4.13Å; P48-F157 HydrophobicContact CB-CD2 3.52Å; P48-F157 HydrophobicContact CB-CE1 4.19Å; P48-F157 HydrophobicContact CB-CE2 3.6Å; P48-F157 HydrophobicContact CB-CG 3.81Å; P48-F157 HydrophobicContact CB-CZ 3.94Å; P48-F157 HydrophobicContact CG-CD1 4.15Å; P48-F157 HydrophobicContact CG-CD2 3.86Å; P48-F157 HydrophobicContact CG-CE1 3.7Å; P48-F157 HydrophobicContact CG-CE2 3.39Å; P48-F157 HydrophobicContact CG-CG 4.23Å; P48-F157 HydrophobicContact CG-CZ 3.3Å
49Q93Very high92.8Very high80 Ų8045.2 Ų45.237%0.37421%0.211SC..EExtended strand (participates in β ladder)trans-120.2136.1-174.7-178.2-177.811.600109.8H47 Q86 Y87H47-Q49 PolarHBondContact O-N 3Å; Q49-Q86 WeakPolarHBondContact CA-O 3.47Å; Q49-Y87 HydrophobicContact CB-CD1 3.82Å; Q49-Y87 HydrophobicContact CB-CE1 3.66Å; Q49-Y87 HydrophobicContact CG-CD1 3.94Å; Q49-Y87 HydrophobicContact CG-CE1 3.43Å; Q49-Y87 VanDerWaalsContact CG-CE1 3.43Å; Q49-Y87 PolarHBondContact NE2-OH 3.37Å
50F91.6Very high92.4Very high2 Ų245.8 Ų45.81%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-95.7137.1170.7-57.4-70.4000110.5K52 I54 Q86 L88 F157 Y158 I161F50-K52 WeakPolarHBondContact CB-O 3.32Å; F50-K52 PolarHBondContact O-N 2.92Å; F50-I54 HydrophobicContact CB-CG2 4.09Å; F50-I54 HydrophobicContact CD1-CG2 4.14Å; F50-I54 HydrophobicContact CD2-CD1 3.93Å; F50-I54 HydrophobicContact CD2-CG1 4.09Å; F50-I54 HydrophobicContact CD2-CG2 4.08Å; F50-I54 HydrophobicContact CE2-CD1 3.59Å; F50-I54 HydrophobicContact CE2-CG1 4.22Å; F50-I54 HydrophobicContact CG-CG2 3.81Å; F50-I54 HydrophobicContact CZ-CD1 3.98Å; F50-Q86 WeakPolarHBondContact CD2-O 3.41Å; F50-Q86 PolarHBondContact N-O 3.33Å; F50-L88 HydrophobicContact CE2-CD1 3.89Å; F50-L88 HydrophobicContact CE2-CD2 4.42Å; F50-L88 HydrophobicContact CE2-CG 3.79Å; F50-L88 HydrophobicContact CZ-CD1 3.57Å; F50-L88 HydrophobicContact CZ-CG 4.02Å; F50-F157 HydrophobicContact CE1-CB 4.06Å; F50-F157 HydrophobicContact CZ-CB 4.18Å; F50-Y158 HydrophobicContact CD1-CD1 4.28Å; F50-Y158 HydrophobicContact CD1-CD2 4.42Å; F50-Y158 AromaticContact CD1-CE1 3.85Å; F50-Y158 HydrophobicContact CD1-CE1 3.85Å; F50-Y158 HydrophobicContact CD1-CE2 4Å; F50-Y158 AromaticContact CD1-CZ 3.71Å; F50-I161 HydrophobicContact CE1-CD1 3.62Å; F50-I161 HydrophobicContact CE2-CD1 3.93Å; F50-I161 HydrophobicContact CZ-CD1 3.13Å
51Y88.3Confident91.9Very high196 Ų19643.7 Ų43.777%0.76921%0.209SC*.EExtended strand (participates in β ladder)trans-59-31.1175.5179.2-104.1000113.1Y158Y51-Y158 PolarHBondContact N-OH 2.8Å
52K87.7Confident91.2Very high148 Ų14844.7 Ų44.764%0.64323%0.226SC*.EExtended strand (participates in β ladder)trans-128.3145.2170.4-71.6-179.1-179.5179.70109F50 I54F50-K52 WeakPolarHBondContact CB-O 3.32Å; F50-K52 PolarHBondContact O-N 2.92Å; K52-I54 PolarHBondContact O-N 2.92Å
53P90Very high90.5Very high68 Ų6846.8 Ų46.844%0.44223%0.234SC..EExtended strand (participates in β ladder)trans-54.4132.5171-24.133.5000111L84 L85 Q86P53-L84 HydrophobicContact CB-CB 4.21Å; P53-L85 CarbonylContact C-O 3.56Å; P53-L85 VanDerWaalsContact CA-O 3.29Å; P53-L85 WeakPolarHBondContact CA-O 3.37Å; P53-Q86 HydrophobicContact CG-CB 4.5Å
54I89.6Confident89.7Confident3 Ų355.5 Ų55.52%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-97.5158.9176.468.4169.1000110.2F50 K52 L84 L85 I161 V172 F174F50-I54 HydrophobicContact CB-CG2 4.09Å; F50-I54 HydrophobicContact CD1-CG2 4.14Å; F50-I54 HydrophobicContact CD2-CD1 3.93Å; F50-I54 HydrophobicContact CD2-CG1 4.09Å; F50-I54 HydrophobicContact CD2-CG2 4.08Å; F50-I54 HydrophobicContact CE2-CD1 3.59Å; F50-I54 HydrophobicContact CE2-CG1 4.22Å; F50-I54 HydrophobicContact CG-CG2 3.81Å; F50-I54 HydrophobicContact CZ-CD1 3.98Å; K52-I54 PolarHBondContact O-N 2.92Å; I54-L84 WeakPolarHBondContact O-CA 3.25Å; I54-L85 HydrophobicContact CD1-CB 4.48Å; I54-L85 HydrophobicContact CD1-CD2 4.32Å; I54-L85 HydrophobicContact CG1-CB 3.87Å; I54-L85 WeakPolarHBondContact CG1-O 3.21Å; I54-L85 PolarHBondContact N-O 3.3Å; I54-L85 PolarHBondContact O-N 3.46Å; I54-I161 HydrophobicContact CD1-CD1 3.44Å; I54-I161 VanDerWaalsContact CD1-CD1 3.44Å; I54-I161 HydrophobicContact CD1-CG2 4.46Å; I54-V172 WeakPolarHBondContact CA-O 3.44Å; I54-V172 HydrophobicContact CB-CB 4.4Å; I54-V172 HydrophobicContact CB-CG1 4.3Å; I54-V172 WeakPolarHBondContact CB-O 3.43Å; I54-V172 HydrophobicContact CG2-CB 3.85Å; I54-V172 HydrophobicContact CG2-CG1 3.73Å; I54-F174 HydrophobicContact CD1-CB 4.31Å
55E90.2Very high89Confident39 Ų3956.6 Ų56.618%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-87.8113.8175.9-69.8173.3-160.300110.8Y57 Y83 L84 S171 V172 S173 F174E55-Y57 HydrophobicContact CB-CE2 4.34Å; E55-Y57 PolarHBondContact OE2-OH 2.78Å; E55-Y83 CarbonylContact C-O 3.5Å; E55-Y83 WeakPolarHBondContact CA-O 3.31Å; E55-L84 HydrophobicContact CG-CD2 4.34Å; E55-S171 WeakPolarHBondContact OE1-CB 3.3Å; E55-S171 PolarHBondContact OE1-OG 3.17Å; E55-S171 PolarHBondContact OE2-OG 3.17Å; E55-V172 PolarHBondContact N-O 2.83Å; E55-S173 CarbonylContact O-C 3.6Å; E55-S173 WeakPolarHBondContact O-CA 3.17Å; E55-F174 PolarHBondContact O-N 3.45Å
56L91.7Very high88.2Confident0 Ų060.7 Ų60.70%029%0.287CS..EExtended strand (participates in β ladder)trans-91.4117.5170.2177.670.3000109.6C82 Y83 L85 F174 L176 L198 L199L56-C82 WeakPolarHBondContact O-CA 3.43Å; L56-Y83 PolarHBondContact N-O 3.24Å; L56-Y83 PolarHBondContact O-N 2.93Å; L56-L85 HydrophobicContact CB-CB 4.39Å; L56-F174 HydrophobicContact CD1-CB 4.25Å; L56-F174 HydrophobicContact CD1-CD1 3.55Å; L56-F174 HydrophobicContact CD1-CE1 4.23Å; L56-F174 HydrophobicContact CD1-CG 4.17Å; L56-L176 HydrophobicContact CD1-CB 4.09Å; L56-L198 HydrophobicContact CD1-CD1 4.04Å; L56-L198 HydrophobicContact CD2-CB 4.28Å; L56-L198 HydrophobicContact CD2-CD1 4.17Å; L56-L199 HydrophobicContact CD2-CD1 4.47Å; L56-L199 HydrophobicContact CD2-CD2 3.9Å; L56-L199 HydrophobicContact CD2-CG 4.01Å
57Y90.5Very high87.6Confident16 Ų1662.8 Ų62.86%0.06330%0.298CS..EExtended strand (participates in β ladder)trans-94.4117.3171-61.9-69.3000110.3E55 L74 Y81 C82 F174 L176E55-Y57 HydrophobicContact CB-CE2 4.34Å; E55-Y57 PolarHBondContact OE2-OH 2.78Å; Y57-L74 HydrophobicContact CD1-CD1 3.8Å; Y57-L74 HydrophobicContact CE1-CD1 3.46Å; Y57-L74 VanDerWaalsContact CE1-CD1 3.46Å; Y57-L74 HydrophobicContact CE1-CG 4.37Å; Y57-Y81 WeakPolarHBondContact CA-O 3.42Å; Y57-C82 HydrophobicContact CD1-CB 4.01Å; Y57-C82 HydrophobicContact CE1-CB 3.82Å; Y57-F174 PolarHBondContact N-O 3.45Å; Y57-L176 WeakPolarHBondContact O-CB 3.38Å; Y57-L176 PolarHBondContact O-N 3.46Å
58G91.3Very high86.4Confident0 Ų061 Ų610%029%0.29CS..EExtended strand (participates in β ladder)trans-153.6-179.7-174.900000113.6Y81 F177G58-Y81 PolarHBondContact N-O 3.4Å; G58-Y81 PolarHBondContact O-N 3.3Å; G58-F177 VanDerWaalsContact C-CE2 3.49Å; G58-F177 VanDerWaalsContact C-CZ 3.43Å
59P90.8Very high85Confident7 Ų765.5 Ų65.55%0.04531%0.313CS..  trans-65.7166175.329-35.7000111.9Y83 F177 I191 Q192 C195P59-Y83 WeakPolarHBondContact O-CE2 3.48Å; P59-Y83 PolarHBondContact O-OH 3.39Å; P59-F177 HydrophobicContact CB-CZ 4.45Å; P59-I191 HydrophobicContact CG-CG1 4.41Å; P59-Q192 HydrophobicContact CB-CG 4.31Å; P59-Q192 HydrophobicContact CG-CG 4.18Å; P59-C195 HydrophobicContact CG-CB 3.9Å
60S86.6Confident83.5Confident61 Ų6164.7 Ų64.743%0.42732%0.315SS..  trans-63.1136.8164.955.90000110Y81 Y83S60-Y81 VanDerWaalsContact CB-CE2 3.41Å; S60-Y81 VanDerWaalsContact N-CD2 3.33Å; S60-Y83 WeakPolarHBondContact CA-OH 3.34Å
61I83.7Confident82.3Confident34 Ų3468.1 Ų68.117%0.17434%0.336CS..  trans-117148.5170.350.7145.2000110.2I63 L65 Y83 C195 L199I61-I63 HydrophobicContact CB-CD1 4.27Å; I61-I63 HydrophobicContact CB-CG1 4.31Å; I61-I63 HydrophobicContact CD1-CB 4.1Å; I61-I63 HydrophobicContact CD1-CD1 3.57Å; I61-I63 HydrophobicContact CD1-CG1 3.98Å; I61-L65 HydrophobicContact CD1-CD1 3.74Å; I61-L65 HydrophobicContact CD1-CG 4.44Å; I61-Y83 HydrophobicContact CD1-CE1 4.4Å; I61-Y83 HydrophobicContact CG1-CE1 4.03Å; I61-Y83 WeakPolarHBondContact CG1-OH 3.15Å; I61-Y83 PolarHBondContact N-OH 3.29Å; I61-C195 HydrophobicContact CG2-CB 4.14Å; I61-L199 HydrophobicContact CD1-CB 4.25Å; I61-L199 HydrophobicContact CD1-CD1 3.37Å; I61-L199 HydrophobicContact CD1-CG 4.44Å; I61-L199 HydrophobicContact CG1-CD1 3.9Å
62N82Confident81Confident172 Ų17266.7 Ų66.792%0.9234%0.336SS*.  trans-103.858.6178.1-168.918.6000110.8
63I80.1Confident79.7Confident50 Ų5063.4 Ų63.426%0.25633%0.33SS..  trans-122.2140.8179.2-45164.7000108.4I61 L65 H196I61-I63 HydrophobicContact CB-CD1 4.27Å; I61-I63 HydrophobicContact CB-CG1 4.31Å; I61-I63 HydrophobicContact CD1-CB 4.1Å; I61-I63 HydrophobicContact CD1-CD1 3.57Å; I61-I63 HydrophobicContact CD1-CG1 3.98Å; I63-L65 HydrophobicContact CB-CD2 4.49Å; I63-L65 HydrophobicContact CG2-CD2 4.14Å; I63-L65 PolarHBondContact O-N 3.14Å; I63-H196 HydrophobicContact CD1-CB 3.86Å; I63-H196 WeakPolarHBondContact CD1-CD2 3.25Å; I63-H196 VanDerWaalsContact CD1-NE2 3.35Å; I63-H196 WeakPolarHBondContact CD1-NE2 3.46Å; I63-H196 VanDerWaalsContact CG1-CD2 3.46Å; I63-H196 WeakPolarHBondContact CG1-CD2 3.48Å
64K79.6Confident78.2Confident208 Ų20863.1 Ų63.190%0.90432%0.324SS*.  trans-8299.1168.8-69.3-176.4179.5179.40109.2
65L82.6Confident76.7Confident23 Ų2368.2 Ų68.212%0.1236%0.358CS..  trans-86.8135.8173.3-59.6169.8000109.8I61 I63 S68 L199 D203I61-L65 HydrophobicContact CD1-CD1 3.74Å; I61-L65 HydrophobicContact CD1-CG 4.44Å; I63-L65 HydrophobicContact CB-CD2 4.49Å; I63-L65 HydrophobicContact CG2-CD2 4.14Å; I63-L65 PolarHBondContact O-N 3.14Å; L65-S68 VanDerWaalsContact CD1-O 3.25Å; L65-S68 WeakPolarHBondContact CD1-O 3.21Å; L65-L199 HydrophobicContact CD1-CB 4.02Å; L65-L199 HydrophobicContact CD1-CD1 4.35Å; L65-L199 HydrophobicContact CD2-CB 4.38Å; L65-D203 HydrophobicContact CD2-CB 3.94Å
66R79.6Confident75.2Confident120 Ų12074.5 Ų74.545%0.45339%0.392SS..SBendtrans-79.7-42.6-179.8-176177.6-79.3169.5-9.1111.2D203 D207 K236R66-D203 PolarHBondContact N-OD1 2.93Å; R66-D203 PolarHBondContact N-OD2 2.93Å; R66-D207 WeakPolarHBondContact CD-OD1 3.22Å; R66-D207 IonicContact CZ-OD2 3.03Å; R66-D207 IonicContact NE-OD2 2.76Å; R66-D207 IonicContact NH1-OD1 3.94Å; R66-D207 IonicContact NH1-OD2 3.55Å; R66-D207 PolarHBondContact NH1-OD2 3.39Å; R66-K236 PolarHBondContact O-NZ 2.94Å
67N80.7Confident73.7Confident49 Ų4977 Ų7726%0.26241%0.407SS..SBendtrans-105.8-42.3-173.6-52-77.1000112.8I69 D203 L206 D207 R231N67-I69 PolarHBondContact O-N 3.46Å; N67-I69 VanDerWaalsContact O-N 3.1Å; N67-D203 WeakPolarHBondContact CA-OD1 3.33Å; N67-D203 VanDerWaalsContact CB-OD1 3.25Å; N67-D203 WeakPolarHBondContact CB-OD1 3.4Å; N67-D203 PolarHBondContact N-OD1 3.03Å; N67-D203 PolarHBondContact ND2-O 3.02Å; N67-D203 PolarHBondContact ND2-OD1 3.36Å; N67-L206 HydrophobicContact CB-CB 3.99Å; N67-L206 HydrophobicContact CB-CD1 3.55Å; N67-L206 HydrophobicContact CB-CG 4.41Å; N67-D207 PolarHBondContact ND2-OD1 3.31Å; N67-R231 PolarHBondContact OD1-NH2 3.15Å
68S69.5Low72.3Confident3 Ų383.3 Ų83.32%0.02144%0.441CS..  trans-91.365.1-167-52.60000112L65 N202 D203L65-S68 VanDerWaalsContact CD1-O 3.25Å; L65-S68 WeakPolarHBondContact CD1-O 3.21Å; S68-N202 PolarHBondContact OG-ND2 2.96Å; S68-D203 PolarHBondContact N-OD1 3.37Å
69I65.6Low71.1Confident97 Ų9788.5 Ų88.550%0.49747%0.468SS..PPolyproline II helixtrans-69.7133.1179.9-52.7174.1000109N67 V71N67-I69 PolarHBondContact O-N 3.46Å; N67-I69 VanDerWaalsContact O-N 3.1Å; I69-V71 PolarHBondContact O-N 3.46Å
70P62.7Low70.5Confident62 Ų6291.6 Ų91.640%0.40348%0.481SS..PPolyproline II helixtrans-57.6131173.620.8-30.3000110.4C82 Y83P70-C82 CarbonylContact C-O 3.27Å; P70-C82 WeakPolarHBondContact CA-O 3.25Å; P70-Y83 HydrophobicContact CB-CD1 3.84Å; P70-Y83 HydrophobicContact CB-CE1 3.7Å; P70-Y83 HydrophobicContact CG-CE1 4.27Å
71V65.9Low70.5Confident74 Ų7492.1 Ų92.145%0.44848%0.475SS..BIsolated β-bridgetrans-64.2134.3159.3-174.80000105.4I69 C82 L84I69-V71 PolarHBondContact O-N 3.46Å; V71-C82 HydrophobicContact CB-CB 4.16Å; V71-C82 PolarHBondContact N-O 2.97Å; V71-L84 HydrophobicContact CG2-CG 4.27Å
72E60.7Low70.7Confident167 Ų16790.9 Ų90.978%0.7847%0.469SS*.  trans-37.6146.7-176.6-68.8-178.7165.800113.1L74E72-L74 PolarHBondContact O-N 2.76Å
73P59.5Low71.1Confident79 Ų7983 Ų8351%0.51343%0.426SS..PPolyproline II helixtrans-51.9129.4178.922.5-32.9000110Y81P73-Y81 HydrophobicContact CB-CE1 4.45Å
74L59Low71.6Confident62 Ų6284.1 Ų84.133%0.32543%0.432SS..PPolyproline II helixtrans-53.3132.2179.1-86.7164.1000109.6Y57 E72 N76 T77Y57-L74 HydrophobicContact CD1-CD1 3.8Å; Y57-L74 HydrophobicContact CE1-CD1 3.46Å; Y57-L74 VanDerWaalsContact CE1-CD1 3.46Å; Y57-L74 HydrophobicContact CE1-CG 4.37Å; E72-L74 PolarHBondContact O-N 2.76Å; L74-N76 PolarHBondContact O-N 3.23Å; L74-T77 VanDerWaalsContact CB-OG1 3.23Å; L74-T77 WeakPolarHBondContact CB-OG1 3.42Å; L74-T77 PolarHBondContact O-N 3.2Å; L74-T77 PolarHBondContact O-OG1 2.79Å
75P57.6Low72.1Confident110 Ų11074.2 Ų74.271%0.71439%0.389SS*.THydrogen-bonded Turntrans-54.8127.7177-23.932.2000110.6
76N59.5Low72.6Confident171 Ų17174.8 Ų74.891%0.91439%0.391SS*.THydrogen-bonded Turntrans71.517.9176.5-50.4-38.4000117.2L74L74-N76 PolarHBondContact O-N 3.23Å
77T60Low73.4Confident51 Ų5169.1 Ų69.131%0.31337%0.37SS..  trans-116.9110.9167.554.20000111.2L74 K80L74-T77 VanDerWaalsContact CB-OG1 3.23Å; L74-T77 WeakPolarHBondContact CB-OG1 3.42Å; L74-T77 PolarHBondContact O-N 3.2Å; L74-T77 PolarHBondContact O-OG1 2.79Å; T77-K80 HydrophobicContact CG2-CD 4.38Å
78I60.9Low74.1Confident150 Ų15066.8 Ų66.877%0.76936%0.357SS*.THydrogen-bonded Turntrans-69.3132.9170.5-56167000107.1K80I78-K80 VanDerWaalsContact C-N 3.31Å; I78-K80 PolarHBondContact O-N 3.29Å
79D65.6Low75.3Confident108 Ų10866.7 Ų66.758%0.57836%0.356SS*.THydrogen-bonded Turntrans65.613.1175-52.9-35.5000118.1
80K79.5Confident76.7Confident73 Ų7363.8 Ų63.832%0.31734%0.343SS..  trans-108.7117.6171.3-62.6-165.3173.5-1630111.4T77 I78 F177T77-K80 HydrophobicContact CG2-CD 4.38Å; I78-K80 VanDerWaalsContact C-N 3.31Å; I78-K80 PolarHBondContact O-N 3.29Å; K80-F177 HydrophobicContact CB-CE2 4.39Å; K80-F177 HydrophobicContact CD-CE2 4.29Å; K80-F177 HydrophobicContact CG-CD2 4.46Å; K80-F177 HydrophobicContact CG-CE2 3.79Å; K80-F177 HydrophobicContact CG-CZ 4.18Å
81Y86.2Confident78.3Confident72 Ų7260.8 Ų60.828%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-111.1147.6177.5-68.7-100000109.7Y57 G58 S60 P73Y57-Y81 WeakPolarHBondContact CA-O 3.42Å; G58-Y81 PolarHBondContact N-O 3.4Å; G58-Y81 PolarHBondContact O-N 3.3Å; S60-Y81 VanDerWaalsContact CB-CE2 3.41Å; S60-Y81 VanDerWaalsContact N-CD2 3.33Å; P73-Y81 HydrophobicContact CB-CE1 4.45Å
82C87.7Confident79.7Confident7 Ų759.7 Ų59.75%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-110.1124.2177.5-176.90000109.1L56 Y57 P70 V71L56-C82 WeakPolarHBondContact O-CA 3.43Å; Y57-C82 HydrophobicContact CD1-CB 4.01Å; Y57-C82 HydrophobicContact CE1-CB 3.82Å; P70-C82 CarbonylContact C-O 3.27Å; P70-C82 WeakPolarHBondContact CA-O 3.25Å; V71-C82 HydrophobicContact CB-CB 4.16Å; V71-C82 PolarHBondContact N-O 2.97Å
83Y89.8Confident81.5Confident6 Ų651.7 Ų51.72%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-119.7155.2176.9-52.3-88.9000109.9E55 L56 P59 S60 I61 P70 L199E55-Y83 CarbonylContact C-O 3.5Å; E55-Y83 WeakPolarHBondContact CA-O 3.31Å; L56-Y83 PolarHBondContact N-O 3.24Å; L56-Y83 PolarHBondContact O-N 2.93Å; P59-Y83 WeakPolarHBondContact O-CE2 3.48Å; P59-Y83 PolarHBondContact O-OH 3.39Å; S60-Y83 WeakPolarHBondContact CA-OH 3.34Å; I61-Y83 HydrophobicContact CD1-CE1 4.4Å; I61-Y83 HydrophobicContact CG1-CE1 4.03Å; I61-Y83 WeakPolarHBondContact CG1-OH 3.15Å; I61-Y83 PolarHBondContact N-OH 3.29Å; P70-Y83 HydrophobicContact CB-CD1 3.84Å; P70-Y83 HydrophobicContact CB-CE1 3.7Å; P70-Y83 HydrophobicContact CG-CE1 4.27Å; Y83-L199 HydrophobicContact CD1-CD1 3.8Å; Y83-L199 HydrophobicContact CD1-CD2 4.25Å; Y83-L199 HydrophobicContact CD2-CD1 3.85Å; Y83-L199 HydrophobicContact CD2-CD2 4.46Å; Y83-L199 HydrophobicContact CE1-CD1 3.94Å; Y83-L199 HydrophobicContact CE2-CD1 3.98Å; Y83-L199 HydrophobicContact CG-CD1 3.75Å; Y83-L199 HydrophobicContact CG-CD2 3.86Å; Y83-L199 HydrophobicContact CG-CG 4.48Å
84L90.5Very high83.3Confident74 Ų7450.5 Ų50.539%0.38727%0.269SS..EExtended strand (participates in β ladder)trans-95.5125.6172.1-64.5177.8000109.7P53 I54 E55 V71 N202P53-L84 HydrophobicContact CB-CB 4.21Å; I54-L84 WeakPolarHBondContact O-CA 3.25Å; E55-L84 HydrophobicContact CG-CD2 4.34Å; V71-L84 HydrophobicContact CG2-CG 4.27Å; L84-N202 PolarHBondContact O-ND2 3.05Å
85L92Very high85.1Confident0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-120.7129.9-179.2-163.779000109.4P53 I54 L56 Y87 L88 L198 L199 N202P53-L85 CarbonylContact C-O 3.56Å; P53-L85 VanDerWaalsContact CA-O 3.29Å; P53-L85 WeakPolarHBondContact CA-O 3.37Å; I54-L85 HydrophobicContact CD1-CB 4.48Å; I54-L85 HydrophobicContact CD1-CD2 4.32Å; I54-L85 HydrophobicContact CG1-CB 3.87Å; I54-L85 WeakPolarHBondContact CG1-O 3.21Å; I54-L85 PolarHBondContact N-O 3.3Å; I54-L85 PolarHBondContact O-N 3.46Å; L56-L85 HydrophobicContact CB-CB 4.39Å; L85-Y87 WeakPolarHBondContact CG-O 3.49Å; L85-L88 HydrophobicContact CD2-CD2 3.64Å; L85-L198 HydrophobicContact CD1-CB 4.44Å; L85-L199 HydrophobicContact CD1-CD2 4.26Å; L85-N202 HydrophobicContact CD1-CB 3.42Å; L85-N202 VanDerWaalsContact CD1-CB 3.42Å; L85-N202 HydrophobicContact CG-CB 4.38Å
86Q93.1Very high87Confident36 Ų3645.2 Ų45.217%0.16823%0.234CC..EExtended strand (participates in β ladder)trans-115.8-25.8175.9-170.5172.3-6.200112.1Q49 F50 P53 N202 L206Q49-Q86 WeakPolarHBondContact CA-O 3.47Å; F50-Q86 WeakPolarHBondContact CD2-O 3.41Å; F50-Q86 PolarHBondContact N-O 3.33Å; P53-Q86 HydrophobicContact CG-CB 4.5Å; Q86-N202 PolarHBondContact N-OD1 3.37Å; Q86-L206 HydrophobicContact CB-CD2 4.39Å
87Y95Very high88.7Confident1 Ų137.1 Ų37.10%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-125.6143.5179-64.2-87.5000111.6H47 P48 Q49 L85 N202 R205 L206 E209H47-Y87 HydrophobicContact CB-CD1 4.36Å; P48-Y87 CarbonylContact O-C 3.57Å; P48-Y87 VanDerWaalsContact O-CA 3.3Å; P48-Y87 WeakPolarHBondContact O-CA 3.49Å; Q49-Y87 HydrophobicContact CB-CD1 3.82Å; Q49-Y87 HydrophobicContact CB-CE1 3.66Å; Q49-Y87 HydrophobicContact CG-CD1 3.94Å; Q49-Y87 HydrophobicContact CG-CE1 3.43Å; Q49-Y87 VanDerWaalsContact CG-CE1 3.43Å; Q49-Y87 PolarHBondContact NE2-OH 3.37Å; L85-Y87 WeakPolarHBondContact CG-O 3.49Å; Y87-N202 PolarHBondContact N-OD1 3.29Å; Y87-R205 HydrophobicContact CD1-CB 4.21Å; Y87-R205 HydrophobicContact CD2-CB 3.64Å; Y87-R205 HydrophobicContact CE2-CB 4.17Å; Y87-R205 HydrophobicContact CG-CB 3.66Å; Y87-R205 HydrophobicContact CG-CG 4.24Å; Y87-L206 HydrophobicContact CD2-CD2 4.38Å; Y87-L206 HydrophobicContact CD2-CG 4.41Å; Y87-L206 HydrophobicContact CE2-CD2 4.06Å; Y87-L206 HydrophobicContact CE2-CG 4.48Å; Y87-E209 VanDerWaalsContact CE2-OE2 3.25Å; Y87-E209 WeakPolarHBondContact CE2-OE2 3.3Å; Y87-E209 VanDerWaalsContact OH-CD 3.29Å; Y87-E209 PolarHBondContact OH-OE2 2.81Å
88L94.9Very high90.3Very high0 Ų036 Ų360%018%0.184CC..PPolyproline II helixtrans-97.3159.8167.8-67.7167.8000111.1P48 F50 L85 W119 F157 L198 N201P48-L88 HydrophobicContact CB-CB 4Å; P48-L88 HydrophobicContact CB-CD1 4.06Å; P48-L88 HydrophobicContact CB-CG 4.47Å; P48-L88 HydrophobicContact CG-CB 4Å; P48-L88 HydrophobicContact CG-CD1 4.47Å; P48-L88 PolarHBondContact O-N 2.97Å; F50-L88 HydrophobicContact CE2-CD1 3.89Å; F50-L88 HydrophobicContact CE2-CD2 4.42Å; F50-L88 HydrophobicContact CE2-CG 3.79Å; F50-L88 HydrophobicContact CZ-CD1 3.57Å; F50-L88 HydrophobicContact CZ-CG 4.02Å; L85-L88 HydrophobicContact CD2-CD2 3.64Å; L88-W119 HydrophobicContact CB-CZ2 4.11Å; L88-W119 HydrophobicContact CD1-CH2 4.07Å; L88-W119 HydrophobicContact CD1-CZ2 3.78Å; L88-W119 HydrophobicContact CD2-CH2 3.82Å; L88-W119 HydrophobicContact CD2-CZ2 3.77Å; L88-W119 HydrophobicContact CG-CH2 4.48Å; L88-W119 HydrophobicContact CG-CZ2 4.1Å; L88-F157 HydrophobicContact CD1-CB 4.16Å; L88-F157 HydrophobicContact CD1-CD1 3.48Å; L88-F157 VanDerWaalsContact CD1-CD1 3.48Å; L88-F157 HydrophobicContact CD1-CE1 4.17Å; L88-F157 HydrophobicContact CD1-CG 4Å; L88-L198 HydrophobicContact CD2-CD2 3.91Å; L88-N201 PolarHBondContact O-ND2 2.98Å
89P95.1Very high91.7Very high0 Ų031 Ų310%016%0.163CC..SBendtrans-57.1158.1171.8-20.129.9000112.3P48 F91 I118 W119 L197 L198 N201P48-P89 WeakPolarHBondContact CD-O 3.39Å; P89-F91 PolarHBondContact O-N 3.45Å; P89-I118 HydrophobicContact CB-CD1 4.19Å; P89-I118 HydrophobicContact CB-CG1 4.17Å; P89-W119 HydrophobicContact CB-CG 4.35Å; P89-W119 HydrophobicContact CG-CG 3.99Å; P89-L197 HydrophobicContact CG-CG 4.18Å; P89-L198 VanDerWaalsContact CD-CD2 3.44Å; P89-L198 HydrophobicContact CG-CD2 3.79Å; P89-N201 VanDerWaalsContact CA-ND2 3.32Å; P89-N201 WeakPolarHBondContact CA-ND2 3.38Å; P89-N201 HydrophobicContact CB-CB 4.41Å; P89-N201 HydrophobicContact CG-CB 4.23Å
90V95.1Very high92.9Very high36 Ų3630.1 Ų30.122%0.21816%0.155CC..PPolyproline II helixtrans-49.3137.4-174.367.90000112.3T45 I92 S117T45-V90 HydrophobicContact CG2-CG2 3.38Å; V90-I92 HydrophobicContact CG2-CG1 4.21Å; V90-S117 PolarHBondContact O-OG 3.22Å
91F96Very high93.5Very high0 Ų026.8 Ų26.80%014%0.141CC..EExtended strand (participates in β ladder)trans-121.7129.6174.8-164.7-93.3000108.6F46 P48 P89 L115 M120 L125 L128 L152 F157F46-F91 HydrophobicContact CE1-CB 4.12Å; F46-F91 AromaticContact CE1-CD1 3.71Å; F46-F91 HydrophobicContact CE1-CD1 3.71Å; F46-F91 HydrophobicContact CE1-CG 4.36Å; F46-F91 HydrophobicContact CZ-CB 4.22Å; F46-F91 HydrophobicContact CZ-CD1 4Å; F46-F91 HydrophobicContact CZ-CG 4.43Å; F46-F91 PolarHBondContact N-O 3.25Å; F46-F91 PolarHBondContact O-N 3.47Å; P48-F91 HydrophobicContact CG-CB 4.04Å; P89-F91 PolarHBondContact O-N 3.45Å; F91-L115 HydrophobicContact CE1-CB 4.44Å; F91-L115 HydrophobicContact CE1-CD1 4.45Å; F91-L115 HydrophobicContact CE1-CD2 3.97Å; F91-L115 HydrophobicContact CZ-CB 3.97Å; F91-L115 HydrophobicContact CZ-CD1 4.02Å; F91-L115 HydrophobicContact CZ-CD2 4.24Å; F91-L115 HydrophobicContact CZ-CG 4.29Å; F91-M120 HydrophobicContact CD2-SD 3.71Å; F91-M120 HydrophobicContact CE2-CE 4.19Å; F91-M120 HydrophobicContact CE2-SD 3.43Å; F91-M120 WeakPolarHBondContact CE2-SD 3.23Å; F91-L125 HydrophobicContact CE2-CD2 3.63Å; F91-L125 HydrophobicContact CZ-CD2 4.01Å; F91-L128 HydrophobicContact CE1-CD2 4.35Å; F91-L128 HydrophobicContact CE2-CD2 4.5Å; F91-L128 HydrophobicContact CZ-CD2 3.7Å; F91-L152 HydrophobicContact CE1-CD1 4.26Å; F91-L152 HydrophobicContact CE1-CD2 4.17Å; F91-F157 HydrophobicContact CB-CZ 4.15Å; F91-F157 HydrophobicContact CD1-CZ 4.28Å; F91-F157 HydrophobicContact CD2-CE1 4.21Å; F91-F157 AromaticContact CD2-CZ 3.71Å; F91-F157 HydrophobicContact CD2-CZ 3.71Å; F91-F157 HydrophobicContact CE2-CZ 4.16Å; F91-F157 AromaticContact CG-CZ 3.78Å; F91-F157 HydrophobicContact CG-CZ 3.78Å
92I96.9Very high93.5Very high50 Ų5023.5 Ų23.526%0.25613%0.128SC..EExtended strand (participates in β ladder)trans-120116.9-176.1-53.3169.6000108.1T45 V90 T94 S116T45-I92 HydrophobicContact CG2-CG1 4.01Å; V90-I92 HydrophobicContact CG2-CG1 4.21Å; I92-T94 HydrophobicContact CG2-CG2 4.12Å; I92-S116 WeakPolarHBondContact CB-OG 3.28Å; I92-S116 PolarHBondContact N-O 2.95Å; I92-S116 PolarHBondContact O-N 2.98Å
93M97.4Very high93.2Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-98.7109.8168.6178.3-175.271.900108.7S43 F44 F95 F113 L115 L132 I149 L152S43-M93 CarbonylContact C-O 3.57Å; S43-M93 WeakPolarHBondContact CA-O 3.3Å; F44-M93 HydrophobicContact CB-CB 4.42Å; F44-M93 HydrophobicContact CB-CE 3.8Å; F44-M93 HydrophobicContact CG-CE 4.45Å; F44-M93 PolarHBondContact N-O 3.04Å; F44-M93 PolarHBondContact O-N 3.09Å; M93-F95 HydrophobicContact CE-CD1 4.07Å; M93-F95 HydrophobicContact CE-CE1 4.47Å; M93-F113 HydrophobicContact CG-CD1 4.2Å; M93-F113 HydrophobicContact SD-CD1 3.94Å; M93-F113 HydrophobicContact SD-CE1 4.11Å; M93-L115 HydrophobicContact CB-CD2 3.81Å; M93-L115 HydrophobicContact CG-CD2 3.7Å; M93-L132 HydrophobicContact SD-CD1 4.29Å; M93-I149 HydrophobicContact CE-CD1 4.08Å; M93-I149 HydrophobicContact CE-CG1 3.49Å; M93-I149 VanDerWaalsContact CE-CG1 3.49Å; M93-L152 HydrophobicContact CB-CD1 4.1Å; M93-L152 HydrophobicContact CG-CD1 4.22Å; M93-L152 HydrophobicContact SD-CD1 3.56Å; M93-L152 VanDerWaalsContact SD-CD1 3.56Å
94T97.8Very high92.7Very high54 Ų5428 Ų2833%0.33115%0.149SC..EExtended strand (participates in β ladder)trans-91.7144.3166.862.50000109.9G42 I92 F113 S114G42-T94 CarbonylContact O-C 3.47Å; G42-T94 WeakPolarHBondContact O-CA 3.44Å; I92-T94 HydrophobicContact CG2-CG2 4.12Å; T94-F113 CarbonylContact O-C 3.53Å; T94-F113 WeakPolarHBondContact O-CA 3.42Å; T94-S114 PolarHBondContact N-O 2.91Å; T94-S114 PolarHBondContact O-N 3.11Å; T94-S114 WeakPolarHBondContact OG1-CB 3.34Å; T94-S114 PolarHBondContact OG1-O 3.12Å
95F97.3Very high91.9Very high1 Ų131.6 Ų31.60%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-139.5149.4176.959.8-89.9000111.3I17 L33 Y35 R41 G42 M93 L97 K112 F113 L145I17-F95 HydrophobicContact CD1-CE2 3.96Å; I17-F95 HydrophobicContact CD1-CZ 4.05Å; L33-F95 HydrophobicContact CD1-CE1 4Å; L33-F95 HydrophobicContact CD1-CZ 4.09Å; Y35-F95 HydrophobicContact CD2-CE2 4.03Å; Y35-F95 HydrophobicContact CD2-CZ 4.4Å; Y35-F95 HydrophobicContact CE2-CE2 4.28Å; R41-F95 WeakPolarHBondContact CA-O 3.31Å; G42-F95 PolarHBondContact N-O 3.07Å; G42-F95 PolarHBondContact O-N 3.42Å; M93-F95 HydrophobicContact CE-CD1 4.07Å; M93-F95 HydrophobicContact CE-CE1 4.47Å; F95-L97 HydrophobicContact CD2-CD2 3.82Å; F95-L97 HydrophobicContact CD2-CG 4.08Å; F95-L97 HydrophobicContact CE2-CD1 4.44Å; F95-L97 HydrophobicContact CE2-CD2 4.27Å; F95-L97 HydrophobicContact CE2-CG 4.25Å; F95-K112 CarbonylContact C-O 3.42Å; F95-K112 VanDerWaalsContact CA-O 3.23Å; F95-K112 WeakPolarHBondContact CA-O 3.48Å; F95-F113 HydrophobicContact CB-CD1 3.92Å; F95-F113 HydrophobicContact CB-CE1 4.11Å; F95-L145 HydrophobicContact CB-CD2 4.35Å; F95-L145 HydrophobicContact CD1-CD2 4.39Å; F95-L145 HydrophobicContact CD2-CD1 4.17Å; F95-L145 HydrophobicContact CD2-CD2 3.89Å; F95-L145 HydrophobicContact CE2-CD1 3.73Å; F95-L145 HydrophobicContact CE2-CD2 4.25Å; F95-L145 HydrophobicContact CG-CD2 3.96Å; F95-L145 HydrophobicContact CZ-CD1 4.06Å
96I97Very high91.3Very high60 Ų6037 Ų3731%0.30820%0.202SC..EExtended strand (participates in β ladder)trans-122.4125.9172.7-48.3-172.4000107.9R40 R41 P98 K112R40-I96 WeakPolarHBondContact O-CA 3.17Å; R41-I96 HydrophobicContact CG-CD1 4.29Å; R41-I96 HydrophobicContact CG-CG1 4.03Å; R41-I96 HydrophobicContact CG-CG2 4.38Å; I96-P98 WeakPolarHBondContact O-CD 3.27Å; I96-K112 HydrophobicContact CB-CB 4.42Å; I96-K112 PolarHBondContact N-O 3.15Å; I96-K112 PolarHBondContact O-N 2.86Å
97L95.3Very high90.9Very high1 Ų140.9 Ų40.91%0.00523%0.225CC..  trans-90.8116176.2-54.5-173.6000109.7Q13 I17 Y35 R40 F95 Y101 P111 L145Q13-L97 HydrophobicContact CB-CD1 4.3Å; Q13-L97 HydrophobicContact CG-CD1 4.09Å; I17-L97 HydrophobicContact CD1-CD1 4.28Å; I17-L97 HydrophobicContact CG1-CD1 4.4Å; Y35-L97 HydrophobicContact CE2-CD1 3.99Å; Y35-L97 HydrophobicContact CE2-CG 4.35Å; R40-L97 HydrophobicContact CB-CB 4.4Å; R40-L97 WeakPolarHBondContact CB-O 3.46Å; R40-L97 WeakPolarHBondContact CD-O 3.36Å; R40-L97 PolarHBondContact NE-O 3.37Å; R40-L97 PolarHBondContact O-N 3.37Å; F95-L97 HydrophobicContact CD2-CD2 3.82Å; F95-L97 HydrophobicContact CD2-CG 4.08Å; F95-L97 HydrophobicContact CE2-CD1 4.44Å; F95-L97 HydrophobicContact CE2-CD2 4.27Å; F95-L97 HydrophobicContact CE2-CG 4.25Å; L97-Y101 HydrophobicContact CB-CD1 4.19Å; L97-Y101 HydrophobicContact CD1-CD1 4.26Å; L97-Y101 HydrophobicContact CD1-CE1 4.28Å; L97-Y101 HydrophobicContact CD2-CD1 3.81Å; L97-Y101 HydrophobicContact CD2-CE1 3.8Å; L97-Y101 HydrophobicContact CG-CD1 4.3Å; L97-P111 HydrophobicContact CD2-CB 3.9Å; L97-P111 HydrophobicContact CD2-CG 3.98Å; L97-L145 HydrophobicContact CD1-CD1 4.43Å; L97-L145 HydrophobicContact CD2-CD1 4.17Å; L97-L145 HydrophobicContact CD2-CD2 4.24Å; L97-L145 HydrophobicContact CD2-CG 4.47Å
98P93.7Very high90.5Very high26 Ų2642.9 Ų42.917%0.16924%0.236CC..  trans-58.6158.9169.8-22.132.7000111.9Q13 I96 E100 Y101 I110Q13-P98 PolarHBondContact NE2-O 3.08Å; I96-P98 WeakPolarHBondContact O-CD 3.27Å; P98-E100 PolarHBondContact O-N 3.48Å; P98-Y101 PolarHBondContact O-N 2.86Å; P98-I110 WeakPolarHBondContact CD-O 3.31Å; P98-I110 WeakPolarHBondContact CG-O 3.2Å
99S90.8Very high90.3Very high45 Ų4544 Ų4432%0.31524%0.244SC..THydrogen-bonded Turntrans-59.1-29.2174.1100000112.6P9 R40 Y101P9-S99 VanDerWaalsContact CB-O 3.32Å; P9-S99 WeakPolarHBondContact CB-O 3.22Å; R40-S99 VanDerWaalsContact NH1-CA 3.33Å; R40-S99 VanDerWaalsContact NH1-CB 3.3Å; R40-S99 PolarHBondContact NH2-OG 3.01Å; S99-Y101 VanDerWaalsContact C-N 3.35Å
100E89.9Confident90.2Very high91 Ų9145.8 Ų45.843%0.42525%0.254SS..THydrogen-bonded Turntrans-94.58-173.5-51.171.3-151.500111.8P98 P102 G103 S109P98-E100 PolarHBondContact O-N 3.48Å; E100-P102 CarbonylContact O-C 3.56Å; E100-P102 VanDerWaalsContact O-C 3.31Å; E100-G103 WeakPolarHBondContact O-CA 3.36Å; E100-G103 PolarHBondContact O-N 2.83Å; E100-S109 PolarHBondContact O-OG 2.95Å; E100-S109 VanDerWaalsContact O-OG 3.09Å
101Y91.4Very high90.2Very high2 Ų244.2 Ų44.21%0.00824%0.244CC..SBendtrans-90.2140-178.3168.4-94.3000110.6Q13 E16 L97 P98 S99 S109 P111 M143 T144Q13-Y101 HydrophobicContact CG-CD1 3.84Å; Q13-Y101 HydrophobicContact CG-CE1 4.41Å; Q13-Y101 VanDerWaalsContact CG-O 3.32Å; Q13-Y101 WeakPolarHBondContact CG-O 3.41Å; Q13-Y101 PolarHBondContact NE2-O 2.84Å; E16-Y101 VanDerWaalsContact CD-OH 3.22Å; E16-Y101 PolarHBondContact OE1-OH 3.09Å; E16-Y101 WeakPolarHBondContact OE2-CE1 3.36Å; E16-Y101 VanDerWaalsContact OE2-CZ 3.26Å; E16-Y101 PolarHBondContact OE2-OH 3.38Å; L97-Y101 HydrophobicContact CB-CD1 4.19Å; L97-Y101 HydrophobicContact CD1-CD1 4.26Å; L97-Y101 HydrophobicContact CD1-CE1 4.28Å; L97-Y101 HydrophobicContact CD2-CD1 3.81Å; L97-Y101 HydrophobicContact CD2-CE1 3.8Å; L97-Y101 HydrophobicContact CG-CD1 4.3Å; P98-Y101 PolarHBondContact O-N 2.86Å; S99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-S109 VanDerWaalsContact CA-OG 3.24Å; Y101-S109 WeakPolarHBondContact CA-OG 3.39Å; Y101-S109 WeakPolarHBondContact CB-OG 3.29Å; Y101-S109 WeakPolarHBondContact CD2-O 3.24Å; Y101-S109 PolarHBondContact N-OG 3.44Å; Y101-P111 HydrophobicContact CD2-CG 3.94Å; Y101-P111 HydrophobicContact CE1-CG 4.37Å; Y101-P111 VanDerWaalsContact CE2-CD 3.47Å; Y101-P111 HydrophobicContact CE2-CG 3.55Å; Y101-M143 WeakPolarHBondContact OH-CA 3.47Å; Y101-T144 PolarHBondContact OH-N 3.23Å; Y101-T144 PolarHBondContact OH-OG1 3Å
102P86.6Confident90.2Very high3 Ų351.1 Ų51.12%0.01927%0.274CS..SBendcis-72.5-18.4-8.531.8-35.2000112.8I12 E100 S109 E142I12-P102 HydrophobicContact CB-CG 4.46Å; I12-P102 HydrophobicContact CD1-CG 4.49Å; I12-P102 HydrophobicContact CG2-CG 3.63Å; E100-P102 CarbonylContact O-C 3.56Å; E100-P102 VanDerWaalsContact O-C 3.31Å; P102-S109 PolarHBondContact O-N 3.15Å; P102-E142 VanDerWaalsContact CB-O 3.27Å; P102-E142 WeakPolarHBondContact CB-O 3.36Å
103G80.9Confident90.2Very high3 Ų349.6 Ų49.63%0.03127%0.266CS..EExtended strand (participates in β ladder)trans79174.3174.500000113E100 N107E100-G103 WeakPolarHBondContact O-CA 3.36Å; E100-G103 PolarHBondContact O-N 2.83Å; G103-N107 WeakPolarHBondContact CA-O 3.41Å
104H80.4Confident90.2Very high104 Ų10452.7 Ų52.748%0.48129%0.287SS..EExtended strand (participates in β ladder)trans-122.4141.2174.9-67.6-74000108.4S7 P106 N107S7-H104 PolarHBondContact O-NE2 3.35Å; H104-P106 CarbonylContact O-C 3.56Å; H104-N107 PolarHBondContact N-O 3.11Å; H104-N107 CarbonylContact O-C 3.53Å; H104-N107 VanDerWaalsContact O-C 3.27Å; H104-N107 WeakPolarHBondContact O-CA 3.04Å; H104-N107 PolarHBondContact O-N 3.18Å
105I73.6Confident90.2Very high151 Ų15150.8 Ų50.877%0.77428%0.275SS*.THydrogen-bonded Turntrans-52.6129.6175.8-62.6172.2000108.9V108I105-V108 HydrophobicContact CG1-CG1 4.13Å
106P80.1Confident90.1Very high113 Ų11353.2 Ų53.273%0.73429%0.292SS*.THydrogen-bonded Turncis-91.9-5.610.136-35.3000115.7H104 V108H104-P106 CarbonylContact O-C 3.56Å; P106-V108 PolarHBondContact O-N 3.23Å
107N84Confident90Very high118 Ų11851.2 Ų51.263%0.63128%0.284SS*.EExtended strand (participates in β ladder)trans-92.864.7-175.9-63.3-21.6000111.2G103 H104G103-N107 WeakPolarHBondContact CA-O 3.41Å; H104-N107 PolarHBondContact N-O 3.11Å; H104-N107 CarbonylContact O-C 3.53Å; H104-N107 VanDerWaalsContact O-C 3.27Å; H104-N107 WeakPolarHBondContact O-CA 3.04Å; H104-N107 PolarHBondContact O-N 3.18Å
108V86.7Confident89.8Confident42 Ų4256.3 Ų56.326%0.25531%0.31SS..EExtended strand (participates in β ladder)trans-94.3145.1172.4-68.40000110.3I105 P106 L140I105-V108 HydrophobicContact CG1-CG1 4.13Å; P106-V108 PolarHBondContact O-N 3.23Å; V108-L140 HydrophobicContact CB-CB 4.4Å; V108-L140 HydrophobicContact CB-CD2 4.24Å; V108-L140 HydrophobicContact CG2-CB 4.22Å; V108-L140 HydrophobicContact CG2-CD1 4.17Å; V108-L140 HydrophobicContact CG2-CD2 3.91Å; V108-L140 HydrophobicContact CG2-CG 4.31Å
109S91Very high89.7Confident24 Ų2455.2 Ų55.217%0.16830%0.302CS..  trans-138.6163.4173.265.50000109.7E100 Y101 P102E100-S109 PolarHBondContact O-OG 2.95Å; E100-S109 VanDerWaalsContact O-OG 3.09Å; Y101-S109 VanDerWaalsContact CA-OG 3.24Å; Y101-S109 WeakPolarHBondContact CA-OG 3.39Å; Y101-S109 WeakPolarHBondContact CB-OG 3.29Å; Y101-S109 WeakPolarHBondContact CD2-O 3.24Å; Y101-S109 PolarHBondContact N-OG 3.44Å; P102-S109 PolarHBondContact O-N 3.15Å
110I93.2Very high89.7Confident38 Ų3853.7 Ų53.720%0.19529%0.29CS..  trans-118.4157.1179.361163.6000110.4P98 A133 A136 L140P98-I110 WeakPolarHBondContact CD-O 3.31Å; P98-I110 WeakPolarHBondContact CG-O 3.2Å; I110-A133 HydrophobicContact CD1-CB 4.05Å; I110-A136 HydrophobicContact CB-CB 3.83Å; I110-A136 HydrophobicContact CD1-CB 4.38Å; I110-A136 HydrophobicContact CG2-CB 3.8Å; I110-L140 HydrophobicContact CG2-CD2 3.76Å
111P95Very high90Very high2 Ų249.5 Ų49.51%0.01327%0.271CS..PPolyproline II helixtrans-61.9145.1172.4-19.233.4000110.8L97 Y101 F113 L145L97-P111 HydrophobicContact CD2-CB 3.9Å; L97-P111 HydrophobicContact CD2-CG 3.98Å; Y101-P111 HydrophobicContact CD2-CG 3.94Å; Y101-P111 HydrophobicContact CE1-CG 4.37Å; Y101-P111 VanDerWaalsContact CE2-CD 3.47Å; Y101-P111 HydrophobicContact CE2-CG 3.55Å; P111-F113 HydrophobicContact CB-CE1 3.93Å; P111-F113 HydrophobicContact CB-CE2 4.01Å; P111-F113 HydrophobicContact CB-CZ 3.58Å; P111-F113 HydrophobicContact CG-CE2 4.49Å; P111-F113 HydrophobicContact CG-CZ 3.92Å; P111-L145 HydrophobicContact CB-CD2 4.16Å; P111-L145 HydrophobicContact CG-CD2 3.98Å
112K95.7Very high90.1Very high146 Ų14655.6 Ų55.664%0.63530%0.303SS*.EExtended strand (participates in β ladder)trans-93.7118169.4-67.1-179.9-179.3176.30108.6F95 I96F95-K112 CarbonylContact C-O 3.42Å; F95-K112 VanDerWaalsContact CA-O 3.23Å; F95-K112 WeakPolarHBondContact CA-O 3.48Å; I96-K112 HydrophobicContact CB-CB 4.42Å; I96-K112 PolarHBondContact N-O 3.15Å; I96-K112 PolarHBondContact O-N 2.86Å
113F97.1Very high90.5Very high18 Ų1857.9 Ų57.98%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-94.7149.5179.6-56.8-75.2000111.2M93 T94 F95 P111 L132 A136 L145 C148M93-F113 HydrophobicContact CG-CD1 4.2Å; M93-F113 HydrophobicContact SD-CD1 3.94Å; M93-F113 HydrophobicContact SD-CE1 4.11Å; T94-F113 CarbonylContact O-C 3.53Å; T94-F113 WeakPolarHBondContact O-CA 3.42Å; F95-F113 HydrophobicContact CB-CD1 3.92Å; F95-F113 HydrophobicContact CB-CE1 4.11Å; P111-F113 HydrophobicContact CB-CE1 3.93Å; P111-F113 HydrophobicContact CB-CE2 4.01Å; P111-F113 HydrophobicContact CB-CZ 3.58Å; P111-F113 HydrophobicContact CG-CE2 4.49Å; P111-F113 HydrophobicContact CG-CZ 3.92Å; F113-L132 HydrophobicContact CB-CD1 4.23Å; F113-L132 HydrophobicContact CD1-CD1 4.32Å; F113-L132 HydrophobicContact CD2-CB 3.69Å; F113-L132 HydrophobicContact CE2-CB 3.98Å; F113-L132 HydrophobicContact CG-CB 4.13Å; F113-L132 HydrophobicContact CG-CD1 4.1Å; F113-A136 HydrophobicContact CE2-CB 4.4Å; F113-L145 HydrophobicContact CE1-CD2 3.99Å; F113-L145 HydrophobicContact CZ-CD2 4.41Å; F113-C148 HydrophobicContact CE1-CB 4.37Å; F113-C148 HydrophobicContact CZ-CB 4.23Å
114S97.3Very high91.1Very high65 Ų6557.8 Ų57.846%0.45532%0.317SS..EExtended strand (participates in β ladder)trans-143.4130.4162.1-490000109.3T94 E129T94-S114 PolarHBondContact N-O 2.91Å; T94-S114 PolarHBondContact O-N 3.11Å; T94-S114 WeakPolarHBondContact OG1-CB 3.34Å; T94-S114 PolarHBondContact OG1-O 3.12Å; S114-E129 VanDerWaalsContact CA-OE1 3.3Å; S114-E129 WeakPolarHBondContact CA-OE1 3.33Å
115L97.5Very high91.8Very high13 Ų1353.1 Ų53.17%0.06830%0.296CS..EExtended strand (participates in β ladder)trans-110.4143.6-169.8-55.8179000110.8F91 M93 L125 L128 E129 L132F91-L115 HydrophobicContact CE1-CB 4.44Å; F91-L115 HydrophobicContact CE1-CD1 4.45Å; F91-L115 HydrophobicContact CE1-CD2 3.97Å; F91-L115 HydrophobicContact CZ-CB 3.97Å; F91-L115 HydrophobicContact CZ-CD1 4.02Å; F91-L115 HydrophobicContact CZ-CD2 4.24Å; F91-L115 HydrophobicContact CZ-CG 4.29Å; M93-L115 HydrophobicContact CB-CD2 3.81Å; M93-L115 HydrophobicContact CG-CD2 3.7Å; L115-L125 HydrophobicContact CB-CB 4.42Å; L115-L125 HydrophobicContact CB-CD2 3.89Å; L115-L128 HydrophobicContact CD1-CB 3.73Å; L115-L128 HydrophobicContact CD1-CD2 3.55Å; L115-L128 HydrophobicContact CD1-CG 3.42Å; L115-L128 VanDerWaalsContact CD1-CG 3.42Å; L115-E129 HydrophobicContact CB-CG 4.23Å; L115-E129 HydrophobicContact CD1-CG 3.73Å; L115-E129 HydrophobicContact CG-CG 3.62Å; L115-E129 PolarHBondContact N-OE1 3.28Å; L115-L132 HydrophobicContact CD1-CD1 3.98Å; L115-L132 HydrophobicContact CD2-CD1 3.92Å; L115-L132 HydrophobicContact CG-CD1 4.4Å
116S95.2Very high92.9Very high52 Ų5249.4 Ų49.436%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-144.7138.7175.263.20000112.1I92I92-S116 WeakPolarHBondContact CB-OG 3.28Å; I92-S116 PolarHBondContact N-O 2.95Å; I92-S116 PolarHBondContact O-N 2.98Å
117S94.3Very high93.6Very high19 Ų1947 Ų4713%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-155.3143.7170.6-171.40000109.7V90 W119V90-S117 PolarHBondContact O-OG 3.22Å; S117-W119 PolarHBondContact O-N 2.88Å; S117-W119 PolarHBondContact OG-NE1 2.95Å; S117-W119 VanDerWaalsContact OG-NE1 3.16Å
118I91.3Very high94.1Very high108 Ų10841.4 Ų41.455%0.55423%0.229SC*.THydrogen-bonded Turntrans-71.4-15.7-172.154.7171.3000114.5P89 L197P89-I118 HydrophobicContact CB-CD1 4.19Å; P89-I118 HydrophobicContact CB-CG1 4.17Å; I118-L197 HydrophobicContact CD1-CD1 3.69Å; I118-L197 HydrophobicContact CD1-CD2 3.73Å; I118-L197 HydrophobicContact CD1-CG 4.16Å; I118-L197 HydrophobicContact CG1-CD2 3.95Å
119W91Very high94.6Very high3 Ų341.8 Ų41.81%0.01123%0.229CC..THydrogen-bonded Turntrans-118.5-2.6-17570.7-76.8000113.1L88 P89 S117 F157 M160 F174 F179 L197 L198L88-W119 HydrophobicContact CB-CZ2 4.11Å; L88-W119 HydrophobicContact CD1-CH2 4.07Å; L88-W119 HydrophobicContact CD1-CZ2 3.78Å; L88-W119 HydrophobicContact CD2-CH2 3.82Å; L88-W119 HydrophobicContact CD2-CZ2 3.77Å; L88-W119 HydrophobicContact CG-CH2 4.48Å; L88-W119 HydrophobicContact CG-CZ2 4.1Å; P89-W119 HydrophobicContact CB-CG 4.35Å; P89-W119 HydrophobicContact CG-CG 3.99Å; S117-W119 PolarHBondContact O-N 2.88Å; S117-W119 PolarHBondContact OG-NE1 2.95Å; S117-W119 VanDerWaalsContact OG-NE1 3.16Å; W119-F157 HydrophobicContact CZ2-CE1 4.5Å; W119-M160 HydrophobicContact CH2-CE 3.55Å; W119-M160 HydrophobicContact CZ2-CE 4.41Å; W119-M160 HydrophobicContact CZ3-CE 4.36Å; W119-F174 HydrophobicContact CH2-CE1 4.48Å; W119-F174 AromaticContact CZ3-CE1 3.99Å; W119-F174 HydrophobicContact CZ3-CE1 3.99Å; W119-F174 HydrophobicContact CZ3-CZ 4.06Å; W119-F179 HydrophobicContact CE3-CE1 4.42Å; W119-F179 HydrophobicContact CE3-CZ 4.31Å; W119-F179 HydrophobicContact CZ3-CE1 4.42Å; W119-F179 HydrophobicContact CZ3-CZ 4.06Å; W119-L197 HydrophobicContact CB-CD2 3.91Å; W119-L198 HydrophobicContact CD2-CD2 3.86Å; W119-L198 HydrophobicContact CE3-CD2 3.85Å; W119-L198 HydrophobicContact CG-CD2 4.28Å; W119-L198 HydrophobicContact CZ3-CD2 4.23Å
120M92.6Very high94.8Very high13 Ų1345.1 Ų45.16%0.06424%0.244CC..SBendtrans-99.2138.2-176.1-70.6-173.265.400112.5F91 L124 L125 Y156 F157F91-M120 HydrophobicContact CD2-SD 3.71Å; F91-M120 HydrophobicContact CE2-CE 4.19Å; F91-M120 HydrophobicContact CE2-SD 3.43Å; F91-M120 WeakPolarHBondContact CE2-SD 3.23Å; M120-L124 HydrophobicContact CE-CD2 3.55Å; M120-L124 HydrophobicContact CE-CG 3.72Å; M120-L125 HydrophobicContact CB-CD2 4.11Å; M120-L125 HydrophobicContact CB-CG 4.19Å; M120-L125 HydrophobicContact CE-CD2 4.14Å; M120-L125 HydrophobicContact SD-CD2 4.21Å; M120-Y156 HydrophobicContact CE-CE1 3.81Å; M120-Y156 VanDerWaalsContact CE-OH 3.25Å; M120-Y156 WeakPolarHBondContact CE-OH 3.25Å; M120-F157 HydrophobicContact SD-CE1 4.1Å
121P94.6Very high95Very high2 Ų245.5 Ų45.51%0.01324%0.244CC..  trans-62.4149.2171.4-17.627.1000112.8S123 L124 L125 F179 Y183 E186 L187P121-S123 PolarHBondContact O-N 2.95Å; P121-L124 HydrophobicContact CB-CB 4.32Å; P121-L124 HydrophobicContact CG-CB 4.48Å; P121-L124 PolarHBondContact O-N 2.94Å; P121-L125 WeakPolarHBondContact O-CG 3.37Å; P121-L125 PolarHBondContact O-N 2.95Å; P121-L125 VanDerWaalsContact O-N 3.15Å; P121-F179 HydrophobicContact CG-CZ 3.99Å; P121-Y183 HydrophobicContact CB-CD1 3.58Å; P121-Y183 HydrophobicContact CB-CE1 4.08Å; P121-Y183 HydrophobicContact CB-CG 3.84Å; P121-Y183 VanDerWaalsContact CG-CB 3.43Å; P121-Y183 HydrophobicContact CG-CD1 3.49Å; P121-Y183 VanDerWaalsContact CG-CD1 3.49Å; P121-Y183 HydrophobicContact CG-CD2 3.53Å; P121-Y183 HydrophobicContact CG-CE1 4.04Å; P121-Y183 HydrophobicContact CG-CE2 4.04Å; P121-Y183 HydrophobicContact CG-CG 3.21Å; P121-E186 HydrophobicContact CB-CB 4.01Å; P121-E186 WeakPolarHBondContact CB-OE2 3.48Å; P121-L187 HydrophobicContact CG-CD2 4.19Å
122L94.4Very high95Very high131 Ų13145.4 Ų45.469%0.68624%0.243SC*.Hα-helixtrans-64.9-39.3179.6-69.9174.1000111.9L124 L125 T126 E186L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 2.9Å; L122-L125 HydrophobicContact CD2-CD1 4.43Å; L122-L125 PolarHBondContact O-N 3.29Å; L122-T126 PolarHBondContact O-N 3.19Å; L122-T126 PolarHBondContact O-OG1 2.69Å; L122-T126 VanDerWaalsContact O-OG1 3.07Å; L122-E186 PolarHBondContact N-OE2 2.6Å
123S94.6Very high95Very high50 Ų5039.8 Ų39.835%0.3522%0.224SC..Hα-helixtrans-60-38.2178.262.10000112.3P121 T126 E127 Y183 E186P121-S123 PolarHBondContact O-N 2.95Å; S123-T126 PolarHBondContact O-N 3.39Å; S123-E127 PolarHBondContact O-N 3.16Å; S123-Y183 WeakPolarHBondContact OG-CE1 3.5Å; S123-E186 VanDerWaalsContact CB-OE1 3.25Å; S123-E186 WeakPolarHBondContact CB-OE1 3.48Å; S123-E186 WeakPolarHBondContact CB-OE2 2.83Å; S123-E186 PolarHBondContact N-OE2 2.79Å; S123-E186 PolarHBondContact OG-OE1 3.03Å; S123-E186 PolarHBondContact OG-OE2 2.94Å; S123-E186 VanDerWaalsContact OG-OE2 3.04Å
124L94.2Very high94.9Very high1 Ų144 Ų441%0.00524%0.244CC..Hα-helixtrans-73.7-36179.2-176.460.4000111.9M120 P121 L122 L128 Y156 M160 F179 Y183M120-L124 HydrophobicContact CE-CD2 3.55Å; M120-L124 HydrophobicContact CE-CG 3.72Å; P121-L124 HydrophobicContact CB-CB 4.32Å; P121-L124 HydrophobicContact CG-CB 4.48Å; P121-L124 PolarHBondContact O-N 2.94Å; L122-L124 VanDerWaalsContact C-N 3.26Å; L122-L124 PolarHBondContact O-N 2.9Å; L124-L128 WeakPolarHBondContact O-CB 3.11Å; L124-L128 PolarHBondContact O-N 3.08Å; L124-L128 VanDerWaalsContact O-N 3.17Å; L124-Y156 WeakPolarHBondContact CD1-OH 3.29Å; L124-Y156 WeakPolarHBondContact CG-OH 3.38Å; L124-Y156 PolarHBondContact O-OH 3.04Å; L124-M160 HydrophobicContact CD2-CG 3.91Å; L124-F179 HydrophobicContact CD2-CE2 4.16Å; L124-Y183 HydrophobicContact CB-CE1 4.39Å; L124-Y183 HydrophobicContact CD2-CE2 4.35Å
125L95.7Very high94.7Very high7 Ų742.6 Ų42.64%0.03723%0.231CC..Hα-helixtrans-64.7-44.7171.2-66.6171.8000111.1F91 L115 M120 P121 L122 L128 E129F91-L125 HydrophobicContact CE2-CD2 3.63Å; F91-L125 HydrophobicContact CZ-CD2 4.01Å; L115-L125 HydrophobicContact CB-CB 4.42Å; L115-L125 HydrophobicContact CB-CD2 3.89Å; M120-L125 HydrophobicContact CB-CD2 4.11Å; M120-L125 HydrophobicContact CB-CG 4.19Å; M120-L125 HydrophobicContact CE-CD2 4.14Å; M120-L125 HydrophobicContact SD-CD2 4.21Å; P121-L125 WeakPolarHBondContact O-CG 3.37Å; P121-L125 PolarHBondContact O-N 2.95Å; P121-L125 VanDerWaalsContact O-N 3.15Å; L122-L125 HydrophobicContact CD2-CD1 4.43Å; L122-L125 PolarHBondContact O-N 3.29Å; L125-L128 WeakPolarHBondContact O-CB 3.25Å; L125-L128 PolarHBondContact O-N 3.09Å; L125-E129 WeakPolarHBondContact O-CG 3.37Å; L125-E129 PolarHBondContact O-N 2.96Å
126T95.7Very high94.6Very high72 Ų7242 Ų4244%0.44223%0.228SC..Hα-helixtrans-65.6-40.6177.1-56.70000112.5L122 S123 L128 E129 I130L122-T126 PolarHBondContact O-N 3.19Å; L122-T126 PolarHBondContact O-OG1 2.69Å; L122-T126 VanDerWaalsContact O-OG1 3.07Å; S123-T126 PolarHBondContact O-N 3.39Å; T126-L128 PolarHBondContact O-N 3.18Å; T126-E129 PolarHBondContact O-N 3.07Å; T126-I130 HydrophobicContact CG2-CD1 4.36Å; T126-I130 WeakPolarHBondContact O-CG1 3.35Å; T126-I130 PolarHBondContact O-N 3.3Å; T126-I130 VanDerWaalsContact O-N 3.11Å
127E94.5Very high94.4Very high63 Ų6343.4 Ų43.429%0.29423%0.231SC..Hα-helixtrans-55.8-42.7172.4-175.9-169.7151.400110.5S123 I130 K131 K163S123-E127 PolarHBondContact O-N 3.16Å; E127-I130 PolarHBondContact O-N 3.46Å; E127-K131 PolarHBondContact O-N 2.9Å; E127-K131 IonicContact OE1-NZ 3.83Å; E127-K163 IonicContact OE1-NZ 2.83Å; E127-K163 PolarHBondContact OE1-NZ 3Å; E127-K163 IonicContact OE2-NZ 3.28Å; E127-K163 PolarHBondContact OE2-NZ 3.47Å
128L95.5Very high94.3Very high0 Ų048.8 Ų48.80%026%0.258CS..Hα-helixtrans-71.3-40-179.7-17854.2000112.7F91 L115 L124 L125 T126 I130 K131 L132 Y151 L152 Y156F91-L128 HydrophobicContact CE1-CD2 4.35Å; F91-L128 HydrophobicContact CE2-CD2 4.5Å; F91-L128 HydrophobicContact CZ-CD2 3.7Å; L115-L128 HydrophobicContact CD1-CB 3.73Å; L115-L128 HydrophobicContact CD1-CD2 3.55Å; L115-L128 HydrophobicContact CD1-CG 3.42Å; L115-L128 VanDerWaalsContact CD1-CG 3.42Å; L124-L128 WeakPolarHBondContact O-CB 3.11Å; L124-L128 PolarHBondContact O-N 3.08Å; L124-L128 VanDerWaalsContact O-N 3.17Å; L125-L128 WeakPolarHBondContact O-CB 3.25Å; L125-L128 PolarHBondContact O-N 3.09Å; T126-L128 PolarHBondContact O-N 3.18Å; L128-I130 VanDerWaalsContact C-N 3.26Å; L128-I130 PolarHBondContact O-N 3.12Å; L128-K131 PolarHBondContact O-N 3.33Å; L128-K131 VanDerWaalsContact O-N 3.12Å; L128-L132 HydrophobicContact CD1-CG 4.46Å; L128-L132 WeakPolarHBondContact O-CG 3.2Å; L128-L132 PolarHBondContact O-N 3.46Å; L128-Y151 HydrophobicContact CD1-CD1 4.42Å; L128-Y151 HydrophobicContact CD1-CE1 3.68Å; L128-L152 HydrophobicContact CD1-CD2 3.83Å; L128-L152 HydrophobicContact CD2-CD2 3.42Å; L128-L152 VanDerWaalsContact CD2-CD2 3.42Å; L128-L152 HydrophobicContact CG-CD2 3.88Å; L128-Y156 HydrophobicContact CB-CE2 3.92Å; L128-Y156 HydrophobicContact CD1-CD1 4.48Å; L128-Y156 HydrophobicContact CD1-CD2 3.36Å; L128-Y156 HydrophobicContact CD1-CE2 3.55Å; L128-Y156 HydrophobicContact CD1-CG 3.83Å; L128-Y156 HydrophobicContact CD2-CD1 3.7Å; L128-Y156 HydrophobicContact CD2-CD2 3.98Å; L128-Y156 HydrophobicContact CD2-CE1 3.48Å; L128-Y156 VanDerWaalsContact CD2-CE1 3.48Å; L128-Y156 HydrophobicContact CD2-CE2 3.75Å; L128-Y156 HydrophobicContact CD2-CG 3.92Å; L128-Y156 VanDerWaalsContact CD2-CZ 3.46Å; L128-Y156 HydrophobicContact CG-CD2 4.15Å; L128-Y156 HydrophobicContact CG-CE2 3.92Å; L128-Y156 HydrophobicContact CG-CG 4.48Å
129E96.8Very high94.2Very high51 Ų5146.2 Ų46.224%0.23825%0.246CC..Hα-helixtrans-56.6-41.6173.4-74.9169.9177.700111.9S114 L115 L125 T126 L132 A133S114-E129 VanDerWaalsContact CA-OE1 3.3Å; S114-E129 WeakPolarHBondContact CA-OE1 3.33Å; L115-E129 HydrophobicContact CB-CG 4.23Å; L115-E129 HydrophobicContact CD1-CG 3.73Å; L115-E129 HydrophobicContact CG-CG 3.62Å; L115-E129 PolarHBondContact N-OE1 3.28Å; L125-E129 WeakPolarHBondContact O-CG 3.37Å; L125-E129 PolarHBondContact O-N 2.96Å; T126-E129 PolarHBondContact O-N 3.07Å; E129-L132 PolarHBondContact O-N 2.82Å; E129-A133 PolarHBondContact O-N 2.87Å
130I95.8Very high94.1Very high94 Ų9450 Ų5048%0.48227%0.266SS..Hα-helixtrans-62.2-46.2175.4-66.2165.7000110.2T126 E127 L128 L132 A133 E134T126-I130 HydrophobicContact CG2-CD1 4.36Å; T126-I130 WeakPolarHBondContact O-CG1 3.35Å; T126-I130 PolarHBondContact O-N 3.3Å; T126-I130 VanDerWaalsContact O-N 3.11Å; E127-I130 PolarHBondContact O-N 3.46Å; L128-I130 VanDerWaalsContact C-N 3.26Å; L128-I130 PolarHBondContact O-N 3.12Å; I130-L132 PolarHBondContact O-N 3.17Å; I130-A133 WeakPolarHBondContact O-CB 3.38Å; I130-A133 PolarHBondContact O-N 3.04Å; I130-E134 WeakPolarHBondContact O-CG 3.44Å; I130-E134 PolarHBondContact O-N 2.92Å
131K95.7Very high93.7Very high46 Ų4651 Ų5120%0.228%0.28CS..Hα-helixtrans-62.7-38.2177.4-72.6-171.2177.9-1730113.3E127 L128 A133 E134 I135 Y151E127-K131 PolarHBondContact O-N 2.9Å; E127-K131 IonicContact OE1-NZ 3.83Å; L128-K131 PolarHBondContact O-N 3.33Å; L128-K131 VanDerWaalsContact O-N 3.12Å; K131-A133 VanDerWaalsContact C-N 3.34Å; K131-E134 WeakPolarHBondContact O-CB 3.43Å; K131-E134 PolarHBondContact O-N 3.44Å; K131-I135 WeakPolarHBondContact O-CG1 3.43Å; K131-I135 PolarHBondContact O-N 2.91Å; K131-Y151 WeakPolarHBondContact CD-OH 3.35Å
132L96.4Very high93.4Very high0 Ų056.3 Ų56.30%030%0.304CS..Hα-helixtrans-64.8-40.2174.5-66.3-180000111.5M93 F113 L115 L128 E129 I130 E134 I135 A136 C148 Y151 L152M93-L132 HydrophobicContact SD-CD1 4.29Å; F113-L132 HydrophobicContact CB-CD1 4.23Å; F113-L132 HydrophobicContact CD1-CD1 4.32Å; F113-L132 HydrophobicContact CD2-CB 3.69Å; F113-L132 HydrophobicContact CE2-CB 3.98Å; F113-L132 HydrophobicContact CG-CB 4.13Å; F113-L132 HydrophobicContact CG-CD1 4.1Å; L115-L132 HydrophobicContact CD1-CD1 3.98Å; L115-L132 HydrophobicContact CD2-CD1 3.92Å; L115-L132 HydrophobicContact CG-CD1 4.4Å; L128-L132 HydrophobicContact CD1-CG 4.46Å; L128-L132 WeakPolarHBondContact O-CG 3.2Å; L128-L132 PolarHBondContact O-N 3.46Å; E129-L132 PolarHBondContact O-N 2.82Å; I130-L132 PolarHBondContact O-N 3.17Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.11Å; L132-I135 HydrophobicContact CD2-CD1 4.44Å; L132-I135 PolarHBondContact O-N 2.89Å; L132-A136 PolarHBondContact O-N 2.57Å; L132-C148 HydrophobicContact CD2-CB 3.96Å; L132-Y151 HydrophobicContact CD2-CD1 3.94Å; L132-L152 HydrophobicContact CD1-CD1 4.18Å; L132-L152 HydrophobicContact CD1-CD2 4.38Å; L132-L152 HydrophobicContact CD2-CD1 4.45Å; L132-L152 HydrophobicContact CD2-CD2 4.2Å; L132-L152 HydrophobicContact CD2-CG 4.07Å
133A94.9Very high93.3Very high28 Ų2854.5 Ų54.523%0.23129%0.294CS..Hα-helixtrans-64.4-36.1173.300000112I110 E129 I130 K131 A136 N137I110-A133 HydrophobicContact CD1-CB 4.05Å; E129-A133 PolarHBondContact O-N 2.87Å; I130-A133 WeakPolarHBondContact O-CB 3.38Å; I130-A133 PolarHBondContact O-N 3.04Å; K131-A133 VanDerWaalsContact C-N 3.34Å; A133-A136 PolarHBondContact O-N 2.76Å; A133-N137 VanDerWaalsContact O-CB 3.31Å; A133-N137 WeakPolarHBondContact O-CB 3.38Å; A133-N137 VanDerWaalsContact O-CG 3.26Å; A133-N137 PolarHBondContact O-N 3.01Å; A133-N137 PolarHBondContact O-ND2 2.85Å
134E95.1Very high93.2Very high105 Ų10552.2 Ų52.249%0.49128%0.277SS..Hα-helixtrans-63.7-45.2173-72173.1-177.800112I130 K131 L132 A136 N137 N138I130-E134 WeakPolarHBondContact O-CG 3.44Å; I130-E134 PolarHBondContact O-N 2.92Å; K131-E134 WeakPolarHBondContact O-CB 3.43Å; K131-E134 PolarHBondContact O-N 3.44Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.11Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.24Å; E134-N137 PolarHBondContact O-N 2.65Å; E134-N138 VanDerWaalsContact O-CG 3.23Å; E134-N138 PolarHBondContact O-N 2.77Å; E134-N138 PolarHBondContact O-ND2 2.88Å
135I94.1Very high93.2Very high37 Ų3752.2 Ų52.219%0.1928%0.277CS..Hα-helixtrans-58.3-45.6175.1-67.8166.7000110.4K131 L132 N138 N139 Y151K131-I135 WeakPolarHBondContact O-CG1 3.43Å; K131-I135 PolarHBondContact O-N 2.91Å; L132-I135 HydrophobicContact CD2-CD1 4.44Å; L132-I135 PolarHBondContact O-N 2.89Å; I135-N138 PolarHBondContact O-N 2.85Å; I135-N139 PolarHBondContact O-ND2 3.16Å; I135-Y151 HydrophobicContact CD1-CD1 3.56Å; I135-Y151 HydrophobicContact CD1-CD2 3.99Å; I135-Y151 HydrophobicContact CD1-CE1 4.09Å; I135-Y151 HydrophobicContact CD1-CG 3.5Å; I135-Y151 VanDerWaalsContact CD1-CG 3.5Å
136A93.4Very high93.2Very high0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-65.8-39.8177.800000112.5I110 F113 L132 A133 E134 N138 N139 T144I110-A136 HydrophobicContact CB-CB 3.83Å; I110-A136 HydrophobicContact CD1-CB 4.38Å; I110-A136 HydrophobicContact CG2-CB 3.8Å; F113-A136 HydrophobicContact CE2-CB 4.4Å; L132-A136 PolarHBondContact O-N 2.57Å; A133-A136 PolarHBondContact O-N 2.76Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.24Å; A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 PolarHBondContact O-N 2.93Å; A136-N139 CarbonylContact O-C 3.45Å; A136-N139 PolarHBondContact O-N 2.87Å; A136-T144 HydrophobicContact CB-CG2 4.43Å
137N91.4Very high93.1Very high81 Ų8152.6 Ų52.643%0.43328%0.28SS..Hα-helixtrans-68.6-27177-80-43.8000113.8A133 E134 N139 L140A133-N137 VanDerWaalsContact O-CB 3.31Å; A133-N137 WeakPolarHBondContact O-CB 3.38Å; A133-N137 VanDerWaalsContact O-CG 3.26Å; A133-N137 PolarHBondContact O-N 3.01Å; A133-N137 PolarHBondContact O-ND2 2.85Å; E134-N137 PolarHBondContact O-N 2.65Å; N137-N139 PolarHBondContact O-N 3.31Å; N137-L140 WeakPolarHBondContact O-CG 3.38Å
138N92.6Very high93.2Very high132 Ų13249.6 Ų49.671%0.70627%0.266SS*.Hα-helixtrans-74.7-16.9175.9-70.9-27.5000112.5E134 I135 A136E134-N138 VanDerWaalsContact O-CG 3.23Å; E134-N138 PolarHBondContact O-N 2.77Å; E134-N138 PolarHBondContact O-ND2 2.88Å; I135-N138 PolarHBondContact O-N 2.85Å; A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 PolarHBondContact O-N 2.93Å
139N90.1Very high93.2Very high55 Ų5549.6 Ų49.629%0.29427%0.266SS..THydrogen-bonded Turntrans-12549-176.3-56.3-71.4000110.8I135 A136 N137 E142 T144I135-N139 PolarHBondContact O-ND2 3.16Å; A136-N139 CarbonylContact O-C 3.45Å; A136-N139 PolarHBondContact O-N 2.87Å; N137-N139 PolarHBondContact O-N 3.31Å; N139-E142 HydrophobicContact CB-CB 4.38Å; N139-E142 WeakPolarHBondContact O-CB 3.37Å; N139-E142 PolarHBondContact O-N 2.83Å; N139-T144 HydrophobicContact CB-CG2 3.84Å
140L87.3Confident93Very high82 Ų8251.6 Ų51.643%0.42928%0.276SS..THydrogen-bonded Turntrans-62.4135.5-178.6-72.5168.4000112.2V108 I110 N137 E142V108-L140 HydrophobicContact CB-CB 4.4Å; V108-L140 HydrophobicContact CB-CD2 4.24Å; V108-L140 HydrophobicContact CG2-CB 4.22Å; V108-L140 HydrophobicContact CG2-CD1 4.17Å; V108-L140 HydrophobicContact CG2-CD2 3.91Å; V108-L140 HydrophobicContact CG2-CG 4.31Å; I110-L140 HydrophobicContact CG2-CD2 3.76Å; N137-L140 WeakPolarHBondContact O-CG 3.38Å; L140-E142 VanDerWaalsContact C-N 3.27Å
141G84.7Confident93Very high34 Ų3448.7 Ų48.735%0.35126%0.259SS..THydrogen-bonded Turntrans82.40.6-17700000114.1
142E89Confident92.9Very high114 Ų11446.5 Ų46.553%0.53325%0.249SC..SBendtrans-106.6163.2176.9-56.3-174.9175.800112.3P102 N139 L140 T144P102-E142 VanDerWaalsContact CB-O 3.27Å; P102-E142 WeakPolarHBondContact CB-O 3.36Å; N139-E142 HydrophobicContact CB-CB 4.38Å; N139-E142 WeakPolarHBondContact O-CB 3.37Å; N139-E142 PolarHBondContact O-N 2.83Å; L140-E142 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 3.27Å
143M91Very high92.7Very high93 Ų9349.1 Ų49.146%0.45826%0.261SS..  trans-75.6109.7169.7-71.3-178.2-56.800109.1I12 E16 Y101I12-M143 HydrophobicContact CG2-CG 4.18Å; I12-M143 HydrophobicContact CG2-SD 4.36Å; E16-M143 HydrophobicContact CB-CB 4.45Å; E16-M143 HydrophobicContact CB-CG 3.92Å; E16-M143 HydrophobicContact CB-SD 3.51Å; E16-M143 VanDerWaalsContact CB-SD 3.51Å; E16-M143 VanDerWaalsContact CD-CB 3.41Å; E16-M143 HydrophobicContact CG-CB 3.88Å; E16-M143 HydrophobicContact CG-CG 3.91Å; E16-M143 HydrophobicContact CG-SD 3.88Å; E16-M143 VanDerWaalsContact OE1-C 3.28Å; E16-M143 WeakPolarHBondContact OE1-CA 3.42Å; E16-M143 WeakPolarHBondContact OE1-CB 3.35Å; Y101-M143 WeakPolarHBondContact OH-CA 3.47Å
144T93.6Very high92.4Very high2 Ų252.6 Ų52.61%0.01228%0.276CS..  trans-107.8-9.4-168.256.90000114.2E16 Y101 A136 N139 E142 L146 S147 C148E16-T144 PolarHBondContact OE1-N 3.21Å; E16-T144 VanDerWaalsContact OE1-N 3.14Å; Y101-T144 PolarHBondContact OH-N 3.23Å; Y101-T144 PolarHBondContact OH-OG1 3Å; A136-T144 HydrophobicContact CB-CG2 4.43Å; N139-T144 HydrophobicContact CB-CG2 3.84Å; E142-T144 PolarHBondContact O-N 3.27Å; T144-L146 VanDerWaalsContact C-N 3.33Å; T144-L146 PolarHBondContact O-N 2.89Å; T144-S147 PolarHBondContact O-N 3.28Å; T144-C148 PolarHBondContact O-N 3.49Å; T144-C148 PolarHBondContact O-SG 3.27Å
145L95Very high92.2Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-62.3-40.6-175.1-69178.1000112E16 I17 L20 F95 L97 P111 F113 C148 I149E16-L145 HydrophobicContact CG-CD1 4.31Å; E16-L145 VanDerWaalsContact OE1-CB 3.24Å; E16-L145 WeakPolarHBondContact OE1-CB 3.42Å; E16-L145 WeakPolarHBondContact OE1-CG 3.24Å; E16-L145 PolarHBondContact OE1-N 2.9Å; I17-L145 HydrophobicContact CD1-CD1 3.91Å; L20-L145 HydrophobicContact CD1-CB 3.68Å; L20-L145 HydrophobicContact CD1-CD1 3.77Å; L20-L145 HydrophobicContact CD1-CG 4.42Å; F95-L145 HydrophobicContact CB-CD2 4.35Å; F95-L145 HydrophobicContact CD1-CD2 4.39Å; F95-L145 HydrophobicContact CD2-CD1 4.17Å; F95-L145 HydrophobicContact CD2-CD2 3.89Å; F95-L145 HydrophobicContact CE2-CD1 3.73Å; F95-L145 HydrophobicContact CE2-CD2 4.25Å; F95-L145 HydrophobicContact CG-CD2 3.96Å; F95-L145 HydrophobicContact CZ-CD1 4.06Å; L97-L145 HydrophobicContact CD1-CD1 4.43Å; L97-L145 HydrophobicContact CD2-CD1 4.17Å; L97-L145 HydrophobicContact CD2-CD2 4.24Å; L97-L145 HydrophobicContact CD2-CG 4.47Å; P111-L145 HydrophobicContact CB-CD2 4.16Å; P111-L145 HydrophobicContact CG-CD2 3.98Å; F113-L145 HydrophobicContact CE1-CD2 3.99Å; F113-L145 HydrophobicContact CZ-CD2 4.41Å; L145-C148 PolarHBondContact O-N 3.3Å; L145-I149 VanDerWaalsContact O-CG1 3.28Å; L145-I149 WeakPolarHBondContact O-CG1 3.42Å; L145-I149 PolarHBondContact O-N 3.45Å
146L94.2Very high92.2Very high39 Ų3951.6 Ų51.620%0.20427%0.271CS..Hα-helixtrans-62-49177.8-177.860000111F19 L20 I23 T144 C148 I149 E150F19-L146 HydrophobicContact CE1-CD2 3.92Å; L20-L146 HydrophobicContact CD2-CB 3.85Å; L20-L146 HydrophobicContact CD2-CD1 3.94Å; L20-L146 HydrophobicContact CD2-CG 4.44Å; I23-L146 HydrophobicContact CD1-CD1 4.24Å; I23-L146 HydrophobicContact CD1-CD2 4.32Å; T144-L146 VanDerWaalsContact C-N 3.33Å; T144-L146 PolarHBondContact O-N 2.89Å; L146-C148 VanDerWaalsContact C-N 3.26Å; L146-C148 PolarHBondContact O-N 2.97Å; L146-I149 PolarHBondContact O-N 2.93Å; L146-E150 HydrophobicContact CD1-CG 4.08Å; L146-E150 HydrophobicContact CG-CG 4.24Å; L146-E150 WeakPolarHBondContact O-CG 3.38Å; L146-E150 PolarHBondContact O-N 3.36Å
147S94.1Very high92.1Very high49 Ų4951.8 Ų51.834%0.34327%0.272SS..Hα-helixtrans-58.1-40.4178.4-480000111.8T144 Y151T144-S147 PolarHBondContact O-N 3.28Å; S147-Y151 WeakPolarHBondContact O-CB 3.5Å; S147-Y151 PolarHBondContact O-N 3.24Å
148C96Very high92Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-64-43.6173.8-73.90000112.3F113 L132 T144 L145 L146 L152F113-C148 HydrophobicContact CE1-CB 4.37Å; F113-C148 HydrophobicContact CZ-CB 4.23Å; L132-C148 HydrophobicContact CD2-CB 3.96Å; T144-C148 PolarHBondContact O-N 3.49Å; T144-C148 PolarHBondContact O-SG 3.27Å; L145-C148 PolarHBondContact O-N 3.3Å; L146-C148 VanDerWaalsContact C-N 3.26Å; L146-C148 PolarHBondContact O-N 2.97Å; C148-L152 WeakPolarHBondContact O-CG 3.48Å; C148-L152 PolarHBondContact O-N 3.13Å; C148-L152 VanDerWaalsContact O-N 3.11Å
149I95.1Very high91.8Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-63.9-46177.3-70.7166.5000110.9L20 F24 F44 M93 L145 L146 Y151 L152 Q153L20-I149 HydrophobicContact CD2-CD1 4.28Å; F24-I149 HydrophobicContact CE2-CD1 4.01Å; F24-I149 HydrophobicContact CE2-CG2 4.46Å; F24-I149 HydrophobicContact CZ-CD1 4.37Å; F24-I149 HydrophobicContact CZ-CG2 3.77Å; F44-I149 HydrophobicContact CD1-CD1 4.37Å; F44-I149 HydrophobicContact CD1-CG1 4Å; F44-I149 HydrophobicContact CD1-CG2 4.1Å; F44-I149 HydrophobicContact CD2-CD1 4.16Å; F44-I149 HydrophobicContact CE1-CB 4.47Å; F44-I149 HydrophobicContact CE1-CG1 4.28Å; F44-I149 HydrophobicContact CE1-CG2 3.5Å; F44-I149 VanDerWaalsContact CE1-CG2 3.5Å; F44-I149 HydrophobicContact CE2-CD1 4.47Å; F44-I149 HydrophobicContact CE2-CG2 4.32Å; F44-I149 HydrophobicContact CG-CD1 4.09Å; F44-I149 HydrophobicContact CG-CG1 4.2Å; F44-I149 HydrophobicContact CZ-CG2 3.63Å; M93-I149 HydrophobicContact CE-CD1 4.08Å; M93-I149 HydrophobicContact CE-CG1 3.49Å; M93-I149 VanDerWaalsContact CE-CG1 3.49Å; L145-I149 VanDerWaalsContact O-CG1 3.28Å; L145-I149 WeakPolarHBondContact O-CG1 3.42Å; L145-I149 PolarHBondContact O-N 3.45Å; L146-I149 PolarHBondContact O-N 2.93Å; I149-Y151 VanDerWaalsContact C-N 3.35Å; I149-Y151 PolarHBondContact O-N 3.42Å; I149-L152 WeakPolarHBondContact O-CB 3.23Å; I149-L152 PolarHBondContact O-N 2.92Å; I149-Q153 HydrophobicContact CG2-CG 4.2Å; I149-Q153 WeakPolarHBondContact O-CG 3.19Å; I149-Q153 PolarHBondContact O-N 3.31Å
150E93.6Very high91.7Very high93 Ų9346.8 Ų46.844%0.43523%0.234SC..Hα-helixtrans-61.9-42.9179.7-72.9179.1169.400111.6L146 L152 Q153 N154L146-E150 HydrophobicContact CD1-CG 4.08Å; L146-E150 HydrophobicContact CG-CG 4.24Å; L146-E150 WeakPolarHBondContact O-CG 3.38Å; L146-E150 PolarHBondContact O-N 3.36Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 2.92Å; E150-Q153 PolarHBondContact O-N 3.41Å; E150-N154 VanDerWaalsContact O-CB 3.31Å; E150-N154 WeakPolarHBondContact O-CB 3.28Å; E150-N154 PolarHBondContact O-N 3Å; E150-N154 PolarHBondContact O-ND2 3.49Å
151Y95.3Very high91.8Very high33 Ų3342.9 Ų42.913%0.12921%0.213CC..Hα-helixtrans-59.7-43.1174.4174.4-104000111.9L128 K131 L132 I135 S147 I149 E155 Y156L128-Y151 HydrophobicContact CD1-CD1 4.42Å; L128-Y151 HydrophobicContact CD1-CE1 3.68Å; K131-Y151 WeakPolarHBondContact CD-OH 3.35Å; L132-Y151 HydrophobicContact CD2-CD1 3.94Å; I135-Y151 HydrophobicContact CD1-CD1 3.56Å; I135-Y151 HydrophobicContact CD1-CD2 3.99Å; I135-Y151 HydrophobicContact CD1-CE1 4.09Å; I135-Y151 HydrophobicContact CD1-CG 3.5Å; I135-Y151 VanDerWaalsContact CD1-CG 3.5Å; S147-Y151 WeakPolarHBondContact O-CB 3.5Å; S147-Y151 PolarHBondContact O-N 3.24Å; I149-Y151 VanDerWaalsContact C-N 3.35Å; I149-Y151 PolarHBondContact O-N 3.42Å; Y151-E155 HydrophobicContact CD2-CB 3.79Å; Y151-E155 HydrophobicContact CD2-CG 4.32Å; Y151-E155 WeakPolarHBondContact CD2-OE2 3.35Å; Y151-E155 HydrophobicContact CE2-CB 3.98Å; Y151-E155 WeakPolarHBondContact O-CB 3.39Å; Y151-E155 PolarHBondContact O-N 2.91Å; Y151-E155 VanDerWaalsContact O-N 3.07Å; Y151-Y156 HydrophobicContact CE1-CD2 4.49Å; Y151-Y156 PolarHBondContact O-N 3.29Å
152L94.4Very high91.8Very high0 Ų046.9 Ų46.90%022%0.223CC..Iπ-helixtrans-65-45.3176.4-70.9176.4000112.4F46 F91 M93 L128 L132 C148 I149 E150 F157F46-L152 HydrophobicContact CE1-CB 4.46Å; F46-L152 HydrophobicContact CZ-CB 4.03Å; F91-L152 HydrophobicContact CE1-CD1 4.26Å; F91-L152 HydrophobicContact CE1-CD2 4.17Å; M93-L152 HydrophobicContact CB-CD1 4.1Å; M93-L152 HydrophobicContact CG-CD1 4.22Å; M93-L152 HydrophobicContact SD-CD1 3.56Å; M93-L152 VanDerWaalsContact SD-CD1 3.56Å; L128-L152 HydrophobicContact CD1-CD2 3.83Å; L128-L152 HydrophobicContact CD2-CD2 3.42Å; L128-L152 VanDerWaalsContact CD2-CD2 3.42Å; L128-L152 HydrophobicContact CG-CD2 3.88Å; L132-L152 HydrophobicContact CD1-CD1 4.18Å; L132-L152 HydrophobicContact CD1-CD2 4.38Å; L132-L152 HydrophobicContact CD2-CD1 4.45Å; L132-L152 HydrophobicContact CD2-CD2 4.2Å; L132-L152 HydrophobicContact CD2-CG 4.07Å; C148-L152 WeakPolarHBondContact O-CG 3.48Å; C148-L152 PolarHBondContact O-N 3.13Å; C148-L152 VanDerWaalsContact O-N 3.11Å; I149-L152 WeakPolarHBondContact O-CB 3.23Å; I149-L152 PolarHBondContact O-N 2.92Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 2.92Å; L152-F157 WeakPolarHBondContact O-CD2 3.45Å; L152-F157 VanDerWaalsContact O-CE2 3.25Å; L152-F157 WeakPolarHBondContact O-CE2 3.24Å
153Q91.4Very high91.7Very high54 Ų5445.5 Ų45.525%0.25222%0.215SC..Iπ-helixtrans-72.2-37.7-175.7-72.1-173.4-47.400112.7F44 F46 I149 E150F44-Q153 HydrophobicContact CE1-CG 4.34Å; F46-Q153 HydrophobicContact CD2-CG 4.05Å; F46-Q153 HydrophobicContact CE2-CG 3.84Å; F46-Q153 HydrophobicContact CZ-CG 4.2Å; I149-Q153 HydrophobicContact CG2-CG 4.2Å; I149-Q153 WeakPolarHBondContact O-CG 3.19Å; I149-Q153 PolarHBondContact O-N 3.31Å; E150-Q153 PolarHBondContact O-N 3.41Å
154N89.8Confident91.6Very high102 Ų10241.7 Ų41.755%0.54520%0.196SC..Iπ-helixtrans-110.2-26.2-165.5-59.6-44.3000114.5E150 Y158E150-N154 VanDerWaalsContact O-CB 3.31Å; E150-N154 WeakPolarHBondContact O-CB 3.28Å; E150-N154 PolarHBondContact O-N 3Å; E150-N154 PolarHBondContact O-ND2 3.49Å; N154-Y158 WeakPolarHBondContact O-CD2 3.32Å
155E90.8Very high91.1Very high119 Ų11943.4 Ų43.456%0.55620%0.204SC*.Iπ-helixtrans-115.5-49.1-170.4-63.5-175.6-151.900112.7Y151 F157 Y158 Y159Y151-E155 HydrophobicContact CD2-CB 3.79Å; Y151-E155 HydrophobicContact CD2-CG 4.32Å; Y151-E155 WeakPolarHBondContact CD2-OE2 3.35Å; Y151-E155 HydrophobicContact CE2-CB 3.98Å; Y151-E155 WeakPolarHBondContact O-CB 3.39Å; Y151-E155 PolarHBondContact O-N 2.91Å; Y151-E155 VanDerWaalsContact O-N 3.07Å; E155-F157 PolarHBondContact O-N 3.38Å; E155-Y158 PolarHBondContact O-N 3.24Å; E155-Y159 PolarHBondContact O-N 2.9Å
156Y92.4Very high89.6Confident1 Ų144 Ų440%0.00421%0.21CC..Iπ-helixtrans-60.5-48-167.2173.4-101.2000113.8M120 L124 L128 Y151 Y158 Y159 M160M120-Y156 HydrophobicContact CE-CE1 3.81Å; M120-Y156 VanDerWaalsContact CE-OH 3.25Å; M120-Y156 WeakPolarHBondContact CE-OH 3.25Å; L124-Y156 WeakPolarHBondContact CD1-OH 3.29Å; L124-Y156 WeakPolarHBondContact CG-OH 3.38Å; L124-Y156 PolarHBondContact O-OH 3.04Å; L128-Y156 HydrophobicContact CB-CE2 3.92Å; L128-Y156 HydrophobicContact CD1-CD1 4.48Å; L128-Y156 HydrophobicContact CD1-CD2 3.36Å; L128-Y156 HydrophobicContact CD1-CE2 3.55Å; L128-Y156 HydrophobicContact CD1-CG 3.83Å; L128-Y156 HydrophobicContact CD2-CD1 3.7Å; L128-Y156 HydrophobicContact CD2-CD2 3.98Å; L128-Y156 HydrophobicContact CD2-CE1 3.48Å; L128-Y156 VanDerWaalsContact CD2-CE1 3.48Å; L128-Y156 HydrophobicContact CD2-CE2 3.75Å; L128-Y156 HydrophobicContact CD2-CG 3.92Å; L128-Y156 VanDerWaalsContact CD2-CZ 3.46Å; L128-Y156 HydrophobicContact CG-CD2 4.15Å; L128-Y156 HydrophobicContact CG-CE2 3.92Å; L128-Y156 HydrophobicContact CG-CG 4.48Å; Y151-Y156 HydrophobicContact CE1-CD2 4.49Å; Y151-Y156 PolarHBondContact O-N 3.29Å; Y156-Y158 VanDerWaalsContact C-N 3.34Å; Y156-Y158 PolarHBondContact O-N 2.86Å; Y156-Y159 PolarHBondContact O-N 2.87Å; Y156-M160 HydrophobicContact CE1-CB 4.34Å; Y156-M160 VanDerWaalsContact O-CB 3.31Å; Y156-M160 WeakPolarHBondContact O-CB 3.09Å; Y156-M160 PolarHBondContact O-N 3.45Å
157F91.8Very high87.9Confident4 Ų454.2 Ų54.22%0.01825%0.246CC..Hα-helixtrans-69.7-32.7-175.7-67.4-77.7000112.6F46 P48 F50 L88 F91 W119 M120 L152 E155 M160 I161F46-F157 HydrophobicContact CE2-CE2 4.02Å; F46-F157 AromaticContact CZ-CE2 3.87Å; F46-F157 HydrophobicContact CZ-CE2 3.87Å; F46-F157 HydrophobicContact CZ-CZ 4.48Å; P48-F157 HydrophobicContact CB-CD1 4.13Å; P48-F157 HydrophobicContact CB-CD2 3.52Å; P48-F157 HydrophobicContact CB-CE1 4.19Å; P48-F157 HydrophobicContact CB-CE2 3.6Å; P48-F157 HydrophobicContact CB-CG 3.81Å; P48-F157 HydrophobicContact CB-CZ 3.94Å; P48-F157 HydrophobicContact CG-CD1 4.15Å; P48-F157 HydrophobicContact CG-CD2 3.86Å; P48-F157 HydrophobicContact CG-CE1 3.7Å; P48-F157 HydrophobicContact CG-CE2 3.39Å; P48-F157 HydrophobicContact CG-CG 4.23Å; P48-F157 HydrophobicContact CG-CZ 3.3Å; F50-F157 HydrophobicContact CE1-CB 4.06Å; F50-F157 HydrophobicContact CZ-CB 4.18Å; L88-F157 HydrophobicContact CD1-CB 4.16Å; L88-F157 HydrophobicContact CD1-CD1 3.48Å; L88-F157 VanDerWaalsContact CD1-CD1 3.48Å; L88-F157 HydrophobicContact CD1-CE1 4.17Å; L88-F157 HydrophobicContact CD1-CG 4Å; F91-F157 HydrophobicContact CB-CZ 4.15Å; F91-F157 HydrophobicContact CD1-CZ 4.28Å; F91-F157 HydrophobicContact CD2-CE1 4.21Å; F91-F157 AromaticContact CD2-CZ 3.71Å; F91-F157 HydrophobicContact CD2-CZ 3.71Å; F91-F157 HydrophobicContact CE2-CZ 4.16Å; F91-F157 AromaticContact CG-CZ 3.78Å; F91-F157 HydrophobicContact CG-CZ 3.78Å; W119-F157 HydrophobicContact CZ2-CE1 4.5Å; M120-F157 HydrophobicContact SD-CE1 4.1Å; L152-F157 WeakPolarHBondContact O-CD2 3.45Å; L152-F157 VanDerWaalsContact O-CE2 3.25Å; L152-F157 WeakPolarHBondContact O-CE2 3.24Å; E155-F157 PolarHBondContact O-N 3.38Å; F157-M160 HydrophobicContact CD1-CE 4.22Å; F157-I161 WeakPolarHBondContact O-CB 3.06Å; F157-I161 WeakPolarHBondContact O-CD1 3.45Å; F157-I161 WeakPolarHBondContact O-CG1 3.21Å; F157-I161 PolarHBondContact O-N 2.8Å
158Y89.3Confident86.1Confident64 Ų6454.9 Ų54.925%0.25125%0.246SC..Hα-helixtrans-61.7-52170.9-77.1-84.2000110.5F50 Y51 N154 E155 Y156 M160 I161 E162F50-Y158 HydrophobicContact CD1-CD1 4.28Å; F50-Y158 HydrophobicContact CD1-CD2 4.42Å; F50-Y158 AromaticContact CD1-CE1 3.85Å; F50-Y158 HydrophobicContact CD1-CE1 3.85Å; F50-Y158 HydrophobicContact CD1-CE2 4Å; F50-Y158 AromaticContact CD1-CZ 3.71Å; Y51-Y158 PolarHBondContact N-OH 2.8Å; N154-Y158 WeakPolarHBondContact O-CD2 3.32Å; E155-Y158 PolarHBondContact O-N 3.24Å; Y156-Y158 VanDerWaalsContact C-N 3.34Å; Y156-Y158 PolarHBondContact O-N 2.86Å; Y158-M160 VanDerWaalsContact C-N 3.33Å; Y158-M160 PolarHBondContact O-N 3.34Å; Y158-I161 PolarHBondContact O-N 2.83Å; Y158-E162 WeakPolarHBondContact O-CG 3.48Å; Y158-E162 PolarHBondContact O-N 3.26Å
159Y88.1Confident84.4Confident98 Ų9862.7 Ų62.738%0.38429%0.287SS..Hα-helixtrans-59.9-41.8178174.5-107000112.9E155 Y156 E162 K163E155-Y159 PolarHBondContact O-N 2.9Å; Y156-Y159 PolarHBondContact O-N 2.87Å; Y159-E162 PolarHBondContact O-N 2.88Å; Y159-K163 HydrophobicContact CE1-CD 4.3Å; Y159-K163 PolarHBondContact O-N 3.26Å; Y159-K163 VanDerWaalsContact OH-CE 3.22Å; Y159-K163 WeakPolarHBondContact OH-CE 3.46Å
160M89.5Confident83.1Confident1 Ų171.5 Ų71.51%0.00533%0.328CS..Hα-helixtrans-62.1-45.4177.8-179.7-76.5-65.400110.9W119 L124 Y156 F157 Y158 K163 F164 F174 F179W119-M160 HydrophobicContact CH2-CE 3.55Å; W119-M160 HydrophobicContact CZ2-CE 4.41Å; W119-M160 HydrophobicContact CZ3-CE 4.36Å; L124-M160 HydrophobicContact CD2-CG 3.91Å; Y156-M160 HydrophobicContact CE1-CB 4.34Å; Y156-M160 VanDerWaalsContact O-CB 3.31Å; Y156-M160 WeakPolarHBondContact O-CB 3.09Å; Y156-M160 PolarHBondContact O-N 3.45Å; F157-M160 HydrophobicContact CD1-CE 4.22Å; Y158-M160 VanDerWaalsContact C-N 3.33Å; Y158-M160 PolarHBondContact O-N 3.34Å; M160-K163 WeakPolarHBondContact O-CB 3.33Å; M160-K163 PolarHBondContact O-N 2.9Å; M160-F164 VanDerWaalsContact O-CD2 3.25Å; M160-F164 WeakPolarHBondContact O-CD2 3.42Å; M160-F164 HydrophobicContact SD-CD2 4.18Å; M160-F164 HydrophobicContact SD-CE2 4.48Å; M160-F174 HydrophobicContact SD-CE2 4.39Å; M160-F179 HydrophobicContact SD-CE2 4.23Å
161I88.4Confident82.1Confident0 Ų068.6 Ų68.60%032%0.318CS..Hα-helixtrans-67.3-38.5178.7-74.4166.2000111.7F50 I54 F157 Y158 K163 F164 H165 V172 S173 F174F50-I161 HydrophobicContact CE1-CD1 3.62Å; F50-I161 HydrophobicContact CE2-CD1 3.93Å; F50-I161 HydrophobicContact CZ-CD1 3.13Å; I54-I161 HydrophobicContact CD1-CD1 3.44Å; I54-I161 VanDerWaalsContact CD1-CD1 3.44Å; I54-I161 HydrophobicContact CD1-CG2 4.46Å; F157-I161 WeakPolarHBondContact O-CB 3.06Å; F157-I161 WeakPolarHBondContact O-CD1 3.45Å; F157-I161 WeakPolarHBondContact O-CG1 3.21Å; F157-I161 PolarHBondContact O-N 2.8Å; Y158-I161 PolarHBondContact O-N 2.83Å; I161-K163 VanDerWaalsContact C-N 3.26Å; I161-K163 PolarHBondContact O-N 3.31Å; I161-F164 CarbonylContact O-C 3.58Å; I161-F164 WeakPolarHBondContact O-CA 3.39Å; I161-F164 PolarHBondContact O-N 2.89Å; I161-H165 PolarHBondContact O-N 2.88Å; I161-H165 VanDerWaalsContact O-N 3.08Å; I161-V172 HydrophobicContact CG2-CG1 3.87Å; I161-S173 WeakPolarHBondContact CG2-O 3.41Å; I161-F174 HydrophobicContact CG1-CB 4.24Å; I161-F174 HydrophobicContact CG1-CD1 4.43Å; I161-F174 HydrophobicContact CG1-CD2 4.17Å; I161-F174 HydrophobicContact CG1-CG 4.04Å; I161-F174 HydrophobicContact CG2-CB 3.76Å; I161-F174 HydrophobicContact CG2-CD2 4.46Å; I161-F174 HydrophobicContact CG2-CG 4.34Å
162E85.1Confident81.5Confident119 Ų11969.4 Ų69.456%0.55633%0.326SS*.Hα-helixtrans-57.9-36.8174.7-76.3-179.116600112.6Y158 Y159 F164 H165Y158-E162 WeakPolarHBondContact O-CG 3.48Å; Y158-E162 PolarHBondContact O-N 3.26Å; Y159-E162 PolarHBondContact O-N 2.88Å; E162-F164 PolarHBondContact O-N 2.78Å; E162-H165 WeakPolarHBondContact O-CB 3.42Å; E162-H165 PolarHBondContact O-N 3.32Å
163K87.8Confident81.2Confident84 Ų8469.4 Ų69.437%0.36533%0.326SS..Hα-helixtrans-58.5-30.4173.2-69.7-175.7179.3177.10112.4E127 Y159 M160 I161E127-K163 IonicContact OE1-NZ 2.83Å; E127-K163 PolarHBondContact OE1-NZ 3Å; E127-K163 IonicContact OE2-NZ 3.28Å; E127-K163 PolarHBondContact OE2-NZ 3.47Å; Y159-K163 HydrophobicContact CE1-CD 4.3Å; Y159-K163 PolarHBondContact O-N 3.26Å; Y159-K163 VanDerWaalsContact OH-CE 3.22Å; Y159-K163 WeakPolarHBondContact OH-CE 3.46Å; M160-K163 WeakPolarHBondContact O-CB 3.33Å; M160-K163 PolarHBondContact O-N 2.9Å; I161-K163 VanDerWaalsContact C-N 3.26Å; I161-K163 PolarHBondContact O-N 3.31Å
164F88.4Confident81.2Confident13 Ų1366.8 Ų66.86%0.05731%0.314CS..THydrogen-bonded Turntrans-112.829.7-178-58.2-73.9000112.3M160 I161 E162 F174 D175 K178 F179 Y182 Y183M160-F164 VanDerWaalsContact O-CD2 3.25Å; M160-F164 WeakPolarHBondContact O-CD2 3.42Å; M160-F164 HydrophobicContact SD-CD2 4.18Å; M160-F164 HydrophobicContact SD-CE2 4.48Å; I161-F164 CarbonylContact O-C 3.58Å; I161-F164 WeakPolarHBondContact O-CA 3.39Å; I161-F164 PolarHBondContact O-N 2.89Å; E162-F164 PolarHBondContact O-N 2.78Å; F164-F174 HydrophobicContact CB-CD2 3.87Å; F164-F174 HydrophobicContact CB-CE2 3.8Å; F164-F174 HydrophobicContact CD2-CE2 4.29Å; F164-F174 HydrophobicContact CG-CE2 4.28Å; F164-D175 VanDerWaalsContact O-CB 3.3Å; F164-D175 WeakPolarHBondContact O-CB 3.32Å; F164-D175 PolarHBondContact O-N 3.46Å; F164-K178 HydrophobicContact CD1-CB 4.35Å; F164-F179 HydrophobicContact CB-CB 4.43Å; F164-F179 HydrophobicContact CD1-CB 4.1Å; F164-F179 HydrophobicContact CD1-CD2 4.41Å; F164-F179 AromaticContact CD2-CD2 3.67Å; F164-F179 HydrophobicContact CD2-CD2 3.67Å; F164-F179 HydrophobicContact CD2-CE2 4.46Å; F164-F179 HydrophobicContact CE1-CD2 4.4Å; F164-F179 AromaticContact CE2-CD2 3.68Å; F164-F179 HydrophobicContact CE2-CD2 3.68Å; F164-F179 HydrophobicContact CE2-CE2 4.21Å; F164-F179 HydrophobicContact CG-CB 4.09Å; F164-F179 HydrophobicContact CG-CD2 4.07Å; F164-F179 HydrophobicContact CZ-CD2 4.08Å; F164-Y182 HydrophobicContact CE1-CD1 4.23Å; F164-Y182 HydrophobicContact CE1-CG 4.04Å; F164-Y182 HydrophobicContact CZ-CD1 4.16Å; F164-Y182 HydrophobicContact CZ-CG 4.43Å; F164-Y183 HydrophobicContact CE1-CE2 4.18Å; F164-Y183 AromaticContact CE2-CE2 3.82Å; F164-Y183 HydrophobicContact CE2-CE2 3.82Å; F164-Y183 HydrophobicContact CZ-CD2 4.18Å; F164-Y183 AromaticContact CZ-CE2 3.32Å; F164-Y183 HydrophobicContact CZ-CE2 3.32Å; F164-Y183 AromaticContact CZ-CZ 3.99Å
165H81.6Confident81.3Confident39 Ų3962.6 Ų62.618%0.18129%0.291CS..  trans-66.5150.1-177.7-171.1-90.6000113I161 E162 N168 S171 S173 K178I161-H165 PolarHBondContact O-N 2.88Å; I161-H165 VanDerWaalsContact O-N 3.08Å; E162-H165 WeakPolarHBondContact O-CB 3.42Å; E162-H165 PolarHBondContact O-N 3.32Å; H165-N168 PolarHBondContact CE1-O 2.93Å; H165-N168 PolarHBondContact NE2-O 2.99Å; H165-S171 PolarHBondContact NE2-O 3.46Å; H165-S173 WeakPolarHBondContact CA-O 3.46Å; H165-S173 PolarHBondContact CD2-N 2.94Å; H165-S173 PolarHBondContact CD2-O 2.79Å; H165-S173 PolarHBondContact CD2-OG 2.88Å; H165-S173 PolarHBondContact CE1-OG 3.31Å; H165-S173 PolarHBondContact NE2-OG 2.81Å; H165-S173 VanDerWaalsContact NE2-OG 3.09Å; H165-K178 PolarHBondContact O-NZ 2.6Å
166G63.9Low81.4Confident13 Ų1356.9 Ų56.913%0.13427%0.265CS..  trans-71-160.2172.400000113.3S173G166-S173 PolarHBondContact N-OG 2.84Å
167R58.5Low81.5Confident252 Ų25259.5 Ų59.595%0.95128%0.276SS*.SBendtrans-86.2-7.2174.9-70.9-175.8179.1178.60.1113.1
168N57.6Low81.5Confident64 Ų6463.8 Ų63.834%0.34230%0.295SS..  trans-103.3101.1-160-150.810.9000112.4H165 Q170H165-N168 PolarHBondContact CE1-O 2.93Å; H165-N168 PolarHBondContact NE2-O 2.99Å; N168-Q170 VanDerWaalsContact C-N 3.27Å; N168-Q170 PolarHBondContact O-N 2.85Å
169L59.2Low81.8Confident164 Ų16460.7 Ų60.786%0.85928%0.283SS*.THydrogen-bonded Turntrans-76.5-4.7-171.9-69.7166.4000115.1
170Q67.9Low82.1Confident184 Ų18458.2 Ų58.286%0.8627%0.273SS*.THydrogen-bonded Turntrans-81.3-21.4-176.7-66.5-174.1-10.900113.1N168N168-Q170 VanDerWaalsContact C-N 3.27Å; N168-Q170 PolarHBondContact O-N 2.85Å
171S72.7Confident82.3Confident33 Ų3365.5 Ų65.523%0.23131%0.307CS..SBendtrans-137.8149.4-176.248.20000110.5E55 H165 S173E55-S171 WeakPolarHBondContact OE1-CB 3.3Å; E55-S171 PolarHBondContact OE1-OG 3.17Å; E55-S171 PolarHBondContact OE2-OG 3.17Å; H165-S171 PolarHBondContact NE2-O 3.46Å; S171-S173 PolarHBondContact O-N 2.57Å
172V83.1Confident82.6Confident49 Ų4973.5 Ų73.530%0.29734%0.338SS..  trans-66.6123.2168.3179.30000106.6I54 E55 I161I54-V172 WeakPolarHBondContact CA-O 3.44Å; I54-V172 HydrophobicContact CB-CB 4.4Å; I54-V172 HydrophobicContact CB-CG1 4.3Å; I54-V172 WeakPolarHBondContact CB-O 3.43Å; I54-V172 HydrophobicContact CG2-CB 3.85Å; I54-V172 HydrophobicContact CG2-CG1 3.73Å; E55-V172 PolarHBondContact N-O 2.83Å; I161-V172 HydrophobicContact CG2-CG1 3.87Å
173S87.9Confident83Confident0 Ų068.2 Ų68.20%031%0.314CS..EExtended strand (participates in β ladder)trans-132.1147.4-177.470.60000111.5E55 I161 H165 G166 S171E55-S173 CarbonylContact O-C 3.6Å; E55-S173 WeakPolarHBondContact O-CA 3.17Å; I161-S173 WeakPolarHBondContact CG2-O 3.41Å; H165-S173 WeakPolarHBondContact CA-O 3.46Å; H165-S173 PolarHBondContact CD2-N 2.94Å; H165-S173 PolarHBondContact CD2-O 2.79Å; H165-S173 PolarHBondContact CD2-OG 2.88Å; H165-S173 PolarHBondContact CE1-OG 3.31Å; H165-S173 PolarHBondContact NE2-OG 2.81Å; H165-S173 VanDerWaalsContact NE2-OG 3.09Å; G166-S173 PolarHBondContact N-OG 2.84Å; S171-S173 PolarHBondContact O-N 2.57Å
174F91.4Very high83.2Confident0 Ų070.7 Ų70.70%032%0.324CS..EExtended strand (participates in β ladder)trans-120.5109.2178.9-175.2-151.8000109.6I54 E55 L56 Y57 W119 M160 I161 F164 L176 F179 L198I54-F174 HydrophobicContact CD1-CB 4.31Å; E55-F174 PolarHBondContact O-N 3.45Å; L56-F174 HydrophobicContact CD1-CB 4.25Å; L56-F174 HydrophobicContact CD1-CD1 3.55Å; L56-F174 HydrophobicContact CD1-CE1 4.23Å; L56-F174 HydrophobicContact CD1-CG 4.17Å; Y57-F174 PolarHBondContact N-O 3.45Å; W119-F174 HydrophobicContact CH2-CE1 4.48Å; W119-F174 AromaticContact CZ3-CE1 3.99Å; W119-F174 HydrophobicContact CZ3-CE1 3.99Å; W119-F174 HydrophobicContact CZ3-CZ 4.06Å; M160-F174 HydrophobicContact SD-CE2 4.39Å; I161-F174 HydrophobicContact CG1-CB 4.24Å; I161-F174 HydrophobicContact CG1-CD1 4.43Å; I161-F174 HydrophobicContact CG1-CD2 4.17Å; I161-F174 HydrophobicContact CG1-CG 4.04Å; I161-F174 HydrophobicContact CG2-CB 3.76Å; I161-F174 HydrophobicContact CG2-CD2 4.46Å; I161-F174 HydrophobicContact CG2-CG 4.34Å; F164-F174 HydrophobicContact CB-CD2 3.87Å; F164-F174 HydrophobicContact CB-CE2 3.8Å; F164-F174 HydrophobicContact CD2-CE2 4.29Å; F164-F174 HydrophobicContact CG-CE2 4.28Å; F174-L176 HydrophobicContact CE1-CD1 4.42Å; F174-L176 HydrophobicContact CZ-CD1 4.45Å; F174-L176 PolarHBondContact O-N 3.07Å; F174-F179 HydrophobicContact CE2-CB 3.7Å; F174-F179 AromaticContact CE2-CD2 3.79Å; F174-F179 HydrophobicContact CE2-CD2 3.79Å; F174-F179 AromaticContact CE2-CG 3.85Å; F174-F179 HydrophobicContact CE2-CG 3.85Å; F174-F179 HydrophobicContact CZ-CB 3.9Å; F174-F179 HydrophobicContact CZ-CD1 4.15Å; F174-F179 AromaticContact CZ-CD2 3.75Å; F174-F179 HydrophobicContact CZ-CD2 3.75Å; F174-F179 HydrophobicContact CZ-CE2 4.26Å; F174-F179 AromaticContact CZ-CG 3.66Å; F174-F179 HydrophobicContact CZ-CG 3.66Å; F174-L198 HydrophobicContact CE1-CD1 4.15Å
175D91.9Very high83.4Confident13 Ų1377.1 Ų77.17%0.0736%0.364CS..EExtended strand (participates in β ladder)trans-85.195.4175.6-168.8-23.8000109.9F164 F177 K178 F179F164-D175 VanDerWaalsContact O-CB 3.3Å; F164-D175 WeakPolarHBondContact O-CB 3.32Å; F164-D175 PolarHBondContact O-N 3.46Å; D175-F177 PolarHBondContact O-N 3.36Å; D175-F177 WeakPolarHBondContact OD1-CB 3.45Å; D175-F177 PolarHBondContact OD1-N 2.95Å; D175-F177 VanDerWaalsContact OD1-N 3.11Å; D175-K178 HydrophobicContact CB-CB 4.25Å; D175-K178 HydrophobicContact CB-CD 4.02Å; D175-K178 HydrophobicContact CB-CG 4.1Å; D175-K178 PolarHBondContact O-N 3.17Å; D175-K178 PolarHBondContact OD1-N 2.85Å; D175-K178 WeakPolarHBondContact OD2-CE 3.43Å; D175-F179 PolarHBondContact O-N 3.14Å; D175-F179 VanDerWaalsContact O-N 3.11Å
176L93.6Very high84Confident0 Ų078.8 Ų78.80%037%0.372CS..Hα-helixtrans-62.7-27.4-178.5-174.460000112L56 Y57 F174 F179 Y180 I191 I194 C195 L198L56-L176 HydrophobicContact CD1-CB 4.09Å; Y57-L176 WeakPolarHBondContact O-CB 3.38Å; Y57-L176 PolarHBondContact O-N 3.46Å; F174-L176 HydrophobicContact CE1-CD1 4.42Å; F174-L176 HydrophobicContact CZ-CD1 4.45Å; F174-L176 PolarHBondContact O-N 3.07Å; L176-F179 HydrophobicContact CD1-CD1 4.11Å; L176-Y180 WeakPolarHBondContact O-CB 3.45Å; L176-Y180 PolarHBondContact O-N 3.38Å; L176-I191 HydrophobicContact CD2-CG1 4.22Å; L176-I191 HydrophobicContact CG-CD1 4.48Å; L176-I191 HydrophobicContact CG-CG1 4.14Å; L176-I194 HydrophobicContact CD1-CG2 3.87Å; L176-I194 HydrophobicContact CD2-CG2 4.47Å; L176-C195 HydrophobicContact CD2-CB 3.54Å; L176-L198 HydrophobicContact CD1-CD1 4.09Å; L176-L198 HydrophobicContact CD2-CD1 4.36Å
177F93.1Very high85.3Confident56 Ų5679.2 Ų79.225%0.24637%0.371CS..Hα-helixtrans-66.4-44.9176.8-61.4-84.1000111.1G58 P59 K80 D175 Y180 E181 I191G58-F177 VanDerWaalsContact C-CE2 3.49Å; G58-F177 VanDerWaalsContact C-CZ 3.43Å; P59-F177 HydrophobicContact CB-CZ 4.45Å; K80-F177 HydrophobicContact CB-CE2 4.39Å; K80-F177 HydrophobicContact CD-CE2 4.29Å; K80-F177 HydrophobicContact CG-CD2 4.46Å; K80-F177 HydrophobicContact CG-CE2 3.79Å; K80-F177 HydrophobicContact CG-CZ 4.18Å; D175-F177 PolarHBondContact O-N 3.36Å; D175-F177 WeakPolarHBondContact OD1-CB 3.45Å; D175-F177 PolarHBondContact OD1-N 2.95Å; D175-F177 VanDerWaalsContact OD1-N 3.11Å; F177-Y180 PolarHBondContact O-N 3.14Å; F177-E181 VanDerWaalsContact O-CB 3.31Å; F177-E181 WeakPolarHBondContact O-CB 3.49Å; F177-E181 PolarHBondContact O-N 2.93Å; F177-I191 HydrophobicContact CB-CD1 4.45Å; F177-I191 HydrophobicContact CD1-CD1 3.46Å; F177-I191 VanDerWaalsContact CD1-CD1 3.46Å; F177-I191 HydrophobicContact CE1-CD1 3.89Å; F177-I191 HydrophobicContact CG-CD1 4.07Å
178K92.8Very high86.6Confident93 Ų9374 Ų7440%0.40437%0.367SS..Hα-helixtrans-63.7-45.2176-69.1-177.9-171.9175.90111.6F164 H165 D175 E181 Y182F164-K178 HydrophobicContact CD1-CB 4.35Å; H165-K178 PolarHBondContact O-NZ 2.6Å; D175-K178 HydrophobicContact CB-CB 4.25Å; D175-K178 HydrophobicContact CB-CD 4.02Å; D175-K178 HydrophobicContact CB-CG 4.1Å; D175-K178 PolarHBondContact O-N 3.17Å; D175-K178 PolarHBondContact OD1-N 2.85Å; D175-K178 WeakPolarHBondContact OD2-CE 3.43Å; K178-E181 PolarHBondContact O-N 3.11Å; K178-Y182 WeakPolarHBondContact O-CB 3.32Å; K178-Y182 PolarHBondContact O-N 2.65Å
179F94.4Very high88.2Confident0 Ų074 Ų740%037%0.367CS..Hα-helixtrans-58.6-48.2177179.4-93.9000111.5W119 P121 L124 M160 F164 F174 D175 L176 Y182 Y183 L187W119-F179 HydrophobicContact CE3-CE1 4.42Å; W119-F179 HydrophobicContact CE3-CZ 4.31Å; W119-F179 HydrophobicContact CZ3-CE1 4.42Å; W119-F179 HydrophobicContact CZ3-CZ 4.06Å; P121-F179 HydrophobicContact CG-CZ 3.99Å; L124-F179 HydrophobicContact CD2-CE2 4.16Å; M160-F179 HydrophobicContact SD-CE2 4.23Å; F164-F179 HydrophobicContact CB-CB 4.43Å; F164-F179 HydrophobicContact CD1-CB 4.1Å; F164-F179 HydrophobicContact CD1-CD2 4.41Å; F164-F179 AromaticContact CD2-CD2 3.67Å; F164-F179 HydrophobicContact CD2-CD2 3.67Å; F164-F179 HydrophobicContact CD2-CE2 4.46Å; F164-F179 HydrophobicContact CE1-CD2 4.4Å; F164-F179 AromaticContact CE2-CD2 3.68Å; F164-F179 HydrophobicContact CE2-CD2 3.68Å; F164-F179 HydrophobicContact CE2-CE2 4.21Å; F164-F179 HydrophobicContact CG-CB 4.09Å; F164-F179 HydrophobicContact CG-CD2 4.07Å; F164-F179 HydrophobicContact CZ-CD2 4.08Å; F174-F179 HydrophobicContact CE2-CB 3.7Å; F174-F179 AromaticContact CE2-CD2 3.79Å; F174-F179 HydrophobicContact CE2-CD2 3.79Å; F174-F179 AromaticContact CE2-CG 3.85Å; F174-F179 HydrophobicContact CE2-CG 3.85Å; F174-F179 HydrophobicContact CZ-CB 3.9Å; F174-F179 HydrophobicContact CZ-CD1 4.15Å; F174-F179 AromaticContact CZ-CD2 3.75Å; F174-F179 HydrophobicContact CZ-CD2 3.75Å; F174-F179 HydrophobicContact CZ-CE2 4.26Å; F174-F179 AromaticContact CZ-CG 3.66Å; F174-F179 HydrophobicContact CZ-CG 3.66Å; D175-F179 PolarHBondContact O-N 3.14Å; D175-F179 VanDerWaalsContact O-N 3.11Å; L176-F179 HydrophobicContact CD1-CD1 4.11Å; F179-Y182 PolarHBondContact O-N 3.44Å; F179-Y183 AromaticContact CD2-CD2 3.83Å; F179-Y183 HydrophobicContact CD2-CD2 3.83Å; F179-Y183 AromaticContact CD2-CE2 3.88Å; F179-Y183 HydrophobicContact CD2-CE2 3.88Å; F179-Y183 HydrophobicContact CE1-CD2 4.44Å; F179-Y183 AromaticContact CE2-CD2 3.71Å; F179-Y183 HydrophobicContact CE2-CD2 3.71Å; F179-Y183 AromaticContact CE2-CE2 3.67Å; F179-Y183 HydrophobicContact CE2-CE2 3.67Å; F179-Y183 HydrophobicContact CG-CD2 4.28Å; F179-Y183 HydrophobicContact CZ-CD2 4.04Å; F179-Y183 HydrophobicContact CZ-CE2 4.37Å; F179-Y183 WeakPolarHBondContact O-CD2 3.33Å; F179-Y183 PolarHBondContact O-N 3.04Å; F179-Y183 VanDerWaalsContact O-N 3.07Å; F179-L187 HydrophobicContact CD1-CD1 4.44Å; F179-L187 HydrophobicContact CE1-CD1 4.19Å
180Y94.4Very high89.8Confident46 Ų4668 Ų6818%0.1834%0.339CS..Hα-helixtrans-64.8-42.8-180-171.7-97.2000112.4L176 F177 Y182 K184 L187 L189 I191 I194L176-Y180 WeakPolarHBondContact O-CB 3.45Å; L176-Y180 PolarHBondContact O-N 3.38Å; F177-Y180 PolarHBondContact O-N 3.14Å; Y180-Y182 VanDerWaalsContact C-N 3.34Å; Y180-Y182 PolarHBondContact O-N 3.17Å; Y180-K184 HydrophobicContact CE1-CG 4.24Å; Y180-K184 VanDerWaalsContact O-CA 3.23Å; Y180-K184 WeakPolarHBondContact O-CA 3.29Å; Y180-K184 VanDerWaalsContact O-CB 3.3Å; Y180-K184 WeakPolarHBondContact O-CB 3.33Å; Y180-K184 PolarHBondContact O-N 3.3Å; Y180-L187 HydrophobicContact CD2-CD1 3.69Å; Y180-L187 HydrophobicContact CE2-CB 4.39Å; Y180-L187 HydrophobicContact CE2-CD1 4.13Å; Y180-L187 HydrophobicContact CG-CD1 4.48Å; Y180-L189 WeakPolarHBondContact CE2-O 3.29Å; Y180-L189 PolarHBondContact OH-O 3.26Å; Y180-I191 HydrophobicContact CD1-CB 3.91Å; Y180-I191 HydrophobicContact CD1-CD1 4.29Å; Y180-I191 HydrophobicContact CD1-CG1 4.4Å; Y180-I191 HydrophobicContact CD2-CB 3.78Å; Y180-I191 HydrophobicContact CD2-CG1 4.18Å; Y180-I191 HydrophobicContact CE1-CB 4.08Å; Y180-I191 HydrophobicContact CE2-CB 3.98Å; Y180-I191 HydrophobicContact CG-CB 3.74Å; Y180-I191 HydrophobicContact CG-CD1 4.06Å; Y180-I191 HydrophobicContact CG-CG1 3.94Å; Y180-I194 HydrophobicContact CD2-CD1 3.74Å; Y180-I194 HydrophobicContact CE2-CD1 3.81Å
181E94.1Very high91Very high153 Ų15360.2 Ų60.272%0.71530%0.303SS*.Hα-helixtrans-62-43177.2-175.8174.4-168.400111.5F177 K178F177-E181 VanDerWaalsContact O-CB 3.31Å; F177-E181 WeakPolarHBondContact O-CB 3.49Å; F177-E181 PolarHBondContact O-N 2.93Å; K178-E181 PolarHBondContact O-N 3.11Å
182Y94.4Very high91.9Very high168 Ų16863.4 Ų63.466%0.65931%0.314SS*.Hα-helixtrans-66.1-41.2-179.3-169.2-91.6000112.6F164 K178 F179 Y180F164-Y182 HydrophobicContact CE1-CD1 4.23Å; F164-Y182 HydrophobicContact CE1-CG 4.04Å; F164-Y182 HydrophobicContact CZ-CD1 4.16Å; F164-Y182 HydrophobicContact CZ-CG 4.43Å; K178-Y182 WeakPolarHBondContact O-CB 3.32Å; K178-Y182 PolarHBondContact O-N 2.65Å; F179-Y182 PolarHBondContact O-N 3.44Å; Y180-Y182 VanDerWaalsContact C-N 3.34Å; Y180-Y182 PolarHBondContact O-N 3.17Å
183Y95Very high92.4Very high9 Ų964.9 Ų64.94%0.03532%0.32CS..THydrogen-bonded Turntrans-105.616.6-176.1-64.5-68.6000114.8P121 S123 L124 F164 F179 V185 E186 L187P121-Y183 HydrophobicContact CB-CD1 3.58Å; P121-Y183 HydrophobicContact CB-CE1 4.08Å; P121-Y183 HydrophobicContact CB-CG 3.84Å; P121-Y183 VanDerWaalsContact CG-CB 3.43Å; P121-Y183 HydrophobicContact CG-CD1 3.49Å; P121-Y183 VanDerWaalsContact CG-CD1 3.49Å; P121-Y183 HydrophobicContact CG-CD2 3.53Å; P121-Y183 HydrophobicContact CG-CE1 4.04Å; P121-Y183 HydrophobicContact CG-CE2 4.04Å; P121-Y183 HydrophobicContact CG-CG 3.21Å; S123-Y183 WeakPolarHBondContact OG-CE1 3.5Å; L124-Y183 HydrophobicContact CB-CE1 4.39Å; L124-Y183 HydrophobicContact CD2-CE2 4.35Å; F164-Y183 HydrophobicContact CE1-CE2 4.18Å; F164-Y183 AromaticContact CE2-CE2 3.82Å; F164-Y183 HydrophobicContact CE2-CE2 3.82Å; F164-Y183 HydrophobicContact CZ-CD2 4.18Å; F164-Y183 AromaticContact CZ-CE2 3.32Å; F164-Y183 HydrophobicContact CZ-CE2 3.32Å; F164-Y183 AromaticContact CZ-CZ 3.99Å; F179-Y183 AromaticContact CD2-CD2 3.83Å; F179-Y183 HydrophobicContact CD2-CD2 3.83Å; F179-Y183 AromaticContact CD2-CE2 3.88Å; F179-Y183 HydrophobicContact CD2-CE2 3.88Å; F179-Y183 HydrophobicContact CE1-CD2 4.44Å; F179-Y183 AromaticContact CE2-CD2 3.71Å; F179-Y183 HydrophobicContact CE2-CD2 3.71Å; F179-Y183 AromaticContact CE2-CE2 3.67Å; F179-Y183 HydrophobicContact CE2-CE2 3.67Å; F179-Y183 HydrophobicContact CG-CD2 4.28Å; F179-Y183 HydrophobicContact CZ-CD2 4.04Å; F179-Y183 HydrophobicContact CZ-CE2 4.37Å; F179-Y183 WeakPolarHBondContact O-CD2 3.33Å; F179-Y183 PolarHBondContact O-N 3.04Å; F179-Y183 VanDerWaalsContact O-N 3.07Å; Y183-V185 PolarHBondContact O-N 3.12Å; Y183-E186 PolarHBondContact O-N 2.95Å; Y183-L187 WeakPolarHBondContact O-CG 3.47Å; Y183-L187 PolarHBondContact O-N 3.37Å; Y183-L187 VanDerWaalsContact O-N 3.12Å
184K91.7Very high92.7Very high136 Ų13664.9 Ų64.959%0.59132%0.321SS*.THydrogen-bonded Turntrans-51.8-33.7-172.4-171.3175.3178.7178.60114.7Y180 E186Y180-K184 HydrophobicContact CE1-CG 4.24Å; Y180-K184 VanDerWaalsContact O-CA 3.23Å; Y180-K184 WeakPolarHBondContact O-CA 3.29Å; Y180-K184 VanDerWaalsContact O-CB 3.3Å; Y180-K184 WeakPolarHBondContact O-CB 3.33Å; Y180-K184 PolarHBondContact O-N 3.3Å; K184-E186 VanDerWaalsContact C-N 3.35Å
185V92.7Very high92.8Very high148 Ų14864.9 Ų64.990%0.89732%0.321SS*.THydrogen-bonded Turntrans-75.5-26.1-177.8-179.30000112.1Y183Y183-V185 PolarHBondContact O-N 3.12Å
186E93.4Very high92.9Very high74 Ų7468.1 Ų68.135%0.34634%0.335SS..THydrogen-bonded Turntrans-94.7-26-177.1-61.8-177.3-121.700112.7P121 L122 S123 Y183 K184P121-E186 HydrophobicContact CB-CB 4.01Å; P121-E186 WeakPolarHBondContact CB-OE2 3.48Å; L122-E186 PolarHBondContact N-OE2 2.6Å; S123-E186 VanDerWaalsContact CB-OE1 3.25Å; S123-E186 WeakPolarHBondContact CB-OE1 3.48Å; S123-E186 WeakPolarHBondContact CB-OE2 2.83Å; S123-E186 PolarHBondContact N-OE2 2.79Å; S123-E186 PolarHBondContact OG-OE1 3.03Å; S123-E186 PolarHBondContact OG-OE2 2.94Å; S123-E186 VanDerWaalsContact OG-OE2 3.04Å; Y183-E186 PolarHBondContact O-N 2.95Å; K184-E186 VanDerWaalsContact C-N 3.35Å
187L90.7Very high92.9Very high22 Ų2270 Ų7012%0.11535%0.345CS..  trans-80.5124.4-179.2-65.8169.6000110.7P121 F179 Y180 Y183 I194P121-L187 HydrophobicContact CG-CD2 4.19Å; F179-L187 HydrophobicContact CD1-CD1 4.44Å; F179-L187 HydrophobicContact CE1-CD1 4.19Å; Y180-L187 HydrophobicContact CD2-CD1 3.69Å; Y180-L187 HydrophobicContact CE2-CB 4.39Å; Y180-L187 HydrophobicContact CE2-CD1 4.13Å; Y180-L187 HydrophobicContact CG-CD1 4.48Å; Y183-L187 WeakPolarHBondContact O-CG 3.47Å; Y183-L187 PolarHBondContact O-N 3.37Å; Y183-L187 VanDerWaalsContact O-N 3.12Å; L187-I194 HydrophobicContact CB-CD1 4.25Å; L187-I194 HydrophobicContact CD1-CD1 3.82Å; L187-I194 HydrophobicContact CD2-CD1 4.03Å; L187-I194 HydrophobicContact CG-CD1 4.25Å
188T86.9Confident93Very high141 Ų14167.4 Ų67.487%0.86533%0.334SS*.  trans-85.5-22.5178.654.60000113.3
189L90Very high93.1Very high65 Ų6563 Ų6334%0.3431%0.314SS..SBendtrans-90.9155.6-177.8-64.6179.4000111.6Y180 D193 I194 L197Y180-L189 WeakPolarHBondContact CE2-O 3.29Å; Y180-L189 PolarHBondContact OH-O 3.26Å; L189-D193 HydrophobicContact CB-CB 4.13Å; L189-D193 HydrophobicContact CD2-CB 4.49Å; L189-I194 HydrophobicContact CB-CD1 4.26Å; L189-I194 HydrophobicContact CB-CG1 3.75Å; L189-I194 HydrophobicContact CD1-CG1 4.36Å; L189-L197 HydrophobicContact CD1-CD2 4.36Å
190S93Very high93.1Very high39 Ų3964.6 Ų64.627%0.27333%0.326SS..  trans-69.9160.1169.876.70000110.9Q192 D193 I194S190-Q192 PolarHBondContact O-N 2.8Å; S190-Q192 PolarHBondContact OG-N 2.85Å; S190-D193 WeakPolarHBondContact CB-OD2 3.39Å; S190-D193 PolarHBondContact N-OD2 2.84Å; S190-D193 PolarHBondContact O-N 3.39Å; S190-D193 VanDerWaalsContact O-N 3.13Å; S190-D193 PolarHBondContact OG-N 3.39Å; S190-D193 VanDerWaalsContact OG-N 3.11Å; S190-D193 PolarHBondContact OG-OD2 3.48Å; S190-I194 WeakPolarHBondContact O-CG1 3.5Å; S190-I194 PolarHBondContact O-N 2.83Å
191I93.4Very high93Very high20 Ų2063.4 Ų63.410%0.10332%0.323CS..Hα-helixtrans-60.2-34.3175-170.2174.2000111.8P59 L176 F177 Y180 C195P59-I191 HydrophobicContact CG-CG1 4.41Å; L176-I191 HydrophobicContact CD2-CG1 4.22Å; L176-I191 HydrophobicContact CG-CD1 4.48Å; L176-I191 HydrophobicContact CG-CG1 4.14Å; F177-I191 HydrophobicContact CB-CD1 4.45Å; F177-I191 HydrophobicContact CD1-CD1 3.46Å; F177-I191 VanDerWaalsContact CD1-CD1 3.46Å; F177-I191 HydrophobicContact CE1-CD1 3.89Å; F177-I191 HydrophobicContact CG-CD1 4.07Å; Y180-I191 HydrophobicContact CD1-CB 3.91Å; Y180-I191 HydrophobicContact CD1-CD1 4.29Å; Y180-I191 HydrophobicContact CD1-CG1 4.4Å; Y180-I191 HydrophobicContact CD2-CB 3.78Å; Y180-I191 HydrophobicContact CD2-CG1 4.18Å; Y180-I191 HydrophobicContact CE1-CB 4.08Å; Y180-I191 HydrophobicContact CE2-CB 3.98Å; Y180-I191 HydrophobicContact CG-CB 3.74Å; Y180-I191 HydrophobicContact CG-CD1 4.06Å; Y180-I191 HydrophobicContact CG-CG1 3.94Å; I191-C195 VanDerWaalsContact O-CB 3.29Å; I191-C195 WeakPolarHBondContact O-CB 3.37Å; I191-C195 PolarHBondContact O-N 3.32Å
192Q92.8Very high93.1Very high99 Ų9956.1 Ų56.146%0.46329%0.289SS..Hα-helixtrans-64.1-43.6174.5-74.67611.700111.5P59 S190 C195 H196P59-Q192 HydrophobicContact CB-CG 4.31Å; P59-Q192 HydrophobicContact CG-CG 4.18Å; S190-Q192 PolarHBondContact O-N 2.8Å; S190-Q192 PolarHBondContact OG-N 2.85Å; Q192-C195 PolarHBondContact O-N 2.93Å; Q192-H196 WeakPolarHBondContact O-CB 3.25Å; Q192-H196 PolarHBondContact O-N 3.5Å
193D93.3Very high93Very high80 Ų8048.8 Ų48.843%0.42826%0.26SS..Hα-helixtrans-69.6-36.8-179.9-60.6-42.8000111.9L189 S190 H196 L197L189-D193 HydrophobicContact CB-CB 4.13Å; L189-D193 HydrophobicContact CD2-CB 4.49Å; S190-D193 WeakPolarHBondContact CB-OD2 3.39Å; S190-D193 PolarHBondContact N-OD2 2.84Å; S190-D193 PolarHBondContact O-N 3.39Å; S190-D193 VanDerWaalsContact O-N 3.13Å; S190-D193 PolarHBondContact OG-N 3.39Å; S190-D193 VanDerWaalsContact OG-N 3.11Å; S190-D193 PolarHBondContact OG-OD2 3.48Å; D193-H196 WeakPolarHBondContact O-CB 3.16Å; D193-H196 PolarHBondContact O-N 3.11Å; D193-L197 VanDerWaalsContact O-CB 3.29Å; D193-L197 WeakPolarHBondContact O-CB 3.32Å; D193-L197 PolarHBondContact O-N 3.49Å
194I94Very high93Very high1 Ų152.3 Ų52.31%0.00528%0.28CS..Hα-helixtrans-66-44.8173.5-64.6168.1000110L176 Y180 L187 L189 S190 H196 L197 L198L176-I194 HydrophobicContact CD1-CG2 3.87Å; L176-I194 HydrophobicContact CD2-CG2 4.47Å; Y180-I194 HydrophobicContact CD2-CD1 3.74Å; Y180-I194 HydrophobicContact CE2-CD1 3.81Å; L187-I194 HydrophobicContact CB-CD1 4.25Å; L187-I194 HydrophobicContact CD1-CD1 3.82Å; L187-I194 HydrophobicContact CD2-CD1 4.03Å; L187-I194 HydrophobicContact CG-CD1 4.25Å; L189-I194 HydrophobicContact CB-CD1 4.26Å; L189-I194 HydrophobicContact CB-CG1 3.75Å; L189-I194 HydrophobicContact CD1-CG1 4.36Å; S190-I194 WeakPolarHBondContact O-CG1 3.5Å; S190-I194 PolarHBondContact O-N 2.83Å; I194-H196 VanDerWaalsContact C-N 3.32Å; I194-H196 PolarHBondContact O-N 2.85Å; I194-L197 WeakPolarHBondContact O-CB 3.46Å; I194-L197 PolarHBondContact O-N 3.41Å; I194-L197 VanDerWaalsContact O-N 3.17Å; I194-L198 HydrophobicContact CG2-CD1 4.22Å; I194-L198 HydrophobicContact CG2-CG 4.36Å; I194-L198 WeakPolarHBondContact O-CG 3.29Å; I194-L198 PolarHBondContact O-N 3.12Å
195C93.6Very high93.1Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-60-45176.4-167.60000111.2P59 I61 L176 I191 Q192 L197 L198 L199P59-C195 HydrophobicContact CG-CB 3.9Å; I61-C195 HydrophobicContact CG2-CB 4.14Å; L176-C195 HydrophobicContact CD2-CB 3.54Å; I191-C195 VanDerWaalsContact O-CB 3.29Å; I191-C195 WeakPolarHBondContact O-CB 3.37Å; I191-C195 PolarHBondContact O-N 3.32Å; Q192-C195 PolarHBondContact O-N 2.93Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-L197 PolarHBondContact O-N 3.37Å; C195-L198 PolarHBondContact O-N 3.07Å; C195-L199 WeakPolarHBondContact O-CB 3.45Å; C195-L199 VanDerWaalsContact O-CG 3.32Å; C195-L199 WeakPolarHBondContact O-CG 3.09Å; C195-L199 PolarHBondContact O-N 3.38Å
196H93.7Very high93.1Very high81 Ų8142.2 Ų42.238%0.37522%0.224SC..Hα-helixtrans-56.4-47.9172.8177.9-55.7000111.3I63 Q192 D193 I194 L199 S200I63-H196 HydrophobicContact CD1-CB 3.86Å; I63-H196 WeakPolarHBondContact CD1-CD2 3.25Å; I63-H196 VanDerWaalsContact CD1-NE2 3.35Å; I63-H196 WeakPolarHBondContact CD1-NE2 3.46Å; I63-H196 VanDerWaalsContact CG1-CD2 3.46Å; I63-H196 WeakPolarHBondContact CG1-CD2 3.48Å; Q192-H196 WeakPolarHBondContact O-CB 3.25Å; Q192-H196 PolarHBondContact O-N 3.5Å; D193-H196 WeakPolarHBondContact O-CB 3.16Å; D193-H196 PolarHBondContact O-N 3.11Å; I194-H196 VanDerWaalsContact C-N 3.32Å; I194-H196 PolarHBondContact O-N 2.85Å; H196-L199 PolarHBondContact O-N 3.25Å; H196-S200 VanDerWaalsContact O-CB 3.23Å; H196-S200 WeakPolarHBondContact O-CB 3Å; H196-S200 PolarHBondContact O-N 2.93Å
197L94.3Very high93.1Very high40 Ų4039.9 Ų39.921%0.20921%0.214CC..Hα-helixtrans-62.2-46.9-178.2178.160.3000112.4P89 I118 W119 L189 D193 I194 C195 L199 N201P89-L197 HydrophobicContact CG-CG 4.18Å; I118-L197 HydrophobicContact CD1-CD1 3.69Å; I118-L197 HydrophobicContact CD1-CD2 3.73Å; I118-L197 HydrophobicContact CD1-CG 4.16Å; I118-L197 HydrophobicContact CG1-CD2 3.95Å; W119-L197 HydrophobicContact CB-CD2 3.91Å; L189-L197 HydrophobicContact CD1-CD2 4.36Å; D193-L197 VanDerWaalsContact O-CB 3.29Å; D193-L197 WeakPolarHBondContact O-CB 3.32Å; D193-L197 PolarHBondContact O-N 3.49Å; I194-L197 WeakPolarHBondContact O-CB 3.46Å; I194-L197 PolarHBondContact O-N 3.41Å; I194-L197 VanDerWaalsContact O-N 3.17Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-L197 PolarHBondContact O-N 3.37Å; L197-L199 PolarHBondContact O-N 2.83Å; L197-N201 VanDerWaalsContact O-CB 3.29Å; L197-N201 WeakPolarHBondContact O-CB 3.46Å; L197-N201 PolarHBondContact O-N 3.24Å; L197-N201 VanDerWaalsContact O-N 3.11Å
198L94.8Very high93.2Very high0 Ų040.8 Ų40.80%022%0.221CC..Hα-helixtrans-58.6-48.5177.2-67.8176.6000110.8L56 L85 L88 P89 W119 F174 L176 I194 C195 N202L56-L198 HydrophobicContact CD1-CD1 4.04Å; L56-L198 HydrophobicContact CD2-CB 4.28Å; L56-L198 HydrophobicContact CD2-CD1 4.17Å; L85-L198 HydrophobicContact CD1-CB 4.44Å; L88-L198 HydrophobicContact CD2-CD2 3.91Å; P89-L198 VanDerWaalsContact CD-CD2 3.44Å; P89-L198 HydrophobicContact CG-CD2 3.79Å; W119-L198 HydrophobicContact CD2-CD2 3.86Å; W119-L198 HydrophobicContact CE3-CD2 3.85Å; W119-L198 HydrophobicContact CG-CD2 4.28Å; W119-L198 HydrophobicContact CZ3-CD2 4.23Å; F174-L198 HydrophobicContact CE1-CD1 4.15Å; L176-L198 HydrophobicContact CD1-CD1 4.09Å; L176-L198 HydrophobicContact CD2-CD1 4.36Å; I194-L198 HydrophobicContact CG2-CD1 4.22Å; I194-L198 HydrophobicContact CG2-CG 4.36Å; I194-L198 WeakPolarHBondContact O-CG 3.29Å; I194-L198 PolarHBondContact O-N 3.12Å; C195-L198 PolarHBondContact O-N 3.07Å; L198-N202 WeakPolarHBondContact O-CB 3.35Å; L198-N202 PolarHBondContact O-N 3.03Å
199L94.4Very high93.5Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-73.6-41.5-174.5-68.6172.1000113.2L56 I61 L65 Y83 L85 C195 H196 L197 N202 D203L56-L199 HydrophobicContact CD2-CD1 4.47Å; L56-L199 HydrophobicContact CD2-CD2 3.9Å; L56-L199 HydrophobicContact CD2-CG 4.01Å; I61-L199 HydrophobicContact CD1-CB 4.25Å; I61-L199 HydrophobicContact CD1-CD1 3.37Å; I61-L199 HydrophobicContact CD1-CG 4.44Å; I61-L199 HydrophobicContact CG1-CD1 3.9Å; L65-L199 HydrophobicContact CD1-CB 4.02Å; L65-L199 HydrophobicContact CD1-CD1 4.35Å; L65-L199 HydrophobicContact CD2-CB 4.38Å; Y83-L199 HydrophobicContact CD1-CD1 3.8Å; Y83-L199 HydrophobicContact CD1-CD2 4.25Å; Y83-L199 HydrophobicContact CD2-CD1 3.85Å; Y83-L199 HydrophobicContact CD2-CD2 4.46Å; Y83-L199 HydrophobicContact CE1-CD1 3.94Å; Y83-L199 HydrophobicContact CE2-CD1 3.98Å; Y83-L199 HydrophobicContact CG-CD1 3.75Å; Y83-L199 HydrophobicContact CG-CD2 3.86Å; Y83-L199 HydrophobicContact CG-CG 4.48Å; L85-L199 HydrophobicContact CD1-CD2 4.26Å; C195-L199 WeakPolarHBondContact O-CB 3.45Å; C195-L199 VanDerWaalsContact O-CG 3.32Å; C195-L199 WeakPolarHBondContact O-CG 3.09Å; C195-L199 PolarHBondContact O-N 3.38Å; H196-L199 PolarHBondContact O-N 3.25Å; L197-L199 PolarHBondContact O-N 2.83Å; L199-N202 PolarHBondContact O-N 2.97Å; L199-D203 WeakPolarHBondContact O-CB 3.23Å; L199-D203 PolarHBondContact O-N 3.1Å
200S93.6Very high93.6Very high34 Ų3435.2 Ų35.224%0.23818%0.182CC..Hα-helixtrans-63.3-47.8177-171.30000110.9H196 N202 D203 D204H196-S200 VanDerWaalsContact O-CB 3.23Å; H196-S200 WeakPolarHBondContact O-CB 3Å; H196-S200 PolarHBondContact O-N 2.93Å; S200-N202 VanDerWaalsContact C-N 3.29Å; S200-N202 PolarHBondContact O-N 3.28Å; S200-D203 PolarHBondContact O-N 3.03Å; S200-D204 VanDerWaalsContact O-CG 3.24Å; S200-D204 PolarHBondContact O-N 3.38Å
201N93.8Very high93.7Very high22 Ų2236.2 Ų36.212%0.11819%0.185CC..Hα-helixtrans-62.2-39.6178.1172.994.3000111.5H47 L88 P89 L197 D204 R205H47-N201 PolarHBondContact CE1-OD1 3.47Å; H47-N201 PolarHBondContact ND1-OD1 2.6Å; L88-N201 PolarHBondContact O-ND2 2.98Å; P89-N201 VanDerWaalsContact CA-ND2 3.32Å; P89-N201 WeakPolarHBondContact CA-ND2 3.38Å; P89-N201 HydrophobicContact CB-CB 4.41Å; P89-N201 HydrophobicContact CG-CB 4.23Å; L197-N201 VanDerWaalsContact O-CB 3.29Å; L197-N201 WeakPolarHBondContact O-CB 3.46Å; L197-N201 PolarHBondContact O-N 3.24Å; L197-N201 VanDerWaalsContact O-N 3.11Å; N201-D204 PolarHBondContact O-N 2.78Å; N201-R205 WeakPolarHBondContact O-CB 3.47Å; N201-R205 WeakPolarHBondContact O-CG 3.25Å; N201-R205 PolarHBondContact O-N 3.29Å
202N95Very high93.7Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-62-44.2174.9-178.465.9000112.2S68 L84 L85 Q86 Y87 L198 L199 S200 R205 L206S68-N202 PolarHBondContact OG-ND2 2.96Å; L84-N202 PolarHBondContact O-ND2 3.05Å; L85-N202 HydrophobicContact CD1-CB 3.42Å; L85-N202 VanDerWaalsContact CD1-CB 3.42Å; L85-N202 HydrophobicContact CG-CB 4.38Å; Q86-N202 PolarHBondContact N-OD1 3.37Å; Y87-N202 PolarHBondContact N-OD1 3.29Å; L198-N202 WeakPolarHBondContact O-CB 3.35Å; L198-N202 PolarHBondContact O-N 3.03Å; L199-N202 PolarHBondContact O-N 2.97Å; S200-N202 VanDerWaalsContact C-N 3.29Å; S200-N202 PolarHBondContact O-N 3.28Å; N202-R205 PolarHBondContact O-N 3.43Å; N202-L206 WeakPolarHBondContact ND2-CD1 3.39Å; N202-L206 VanDerWaalsContact O-CG 3.29Å; N202-L206 WeakPolarHBondContact O-CG 3.43Å; N202-L206 PolarHBondContact O-N 3.43Å
203D93.8Very high93.7Very high13 Ų1335.8 Ų35.87%0.0719%0.187CC..Hα-helixtrans-62.6-43.8178.3-151.457.9000111.9L65 R66 N67 S68 L199 S200 R205 L206 D207L65-D203 HydrophobicContact CD2-CB 3.94Å; R66-D203 PolarHBondContact N-OD1 2.93Å; R66-D203 PolarHBondContact N-OD2 2.93Å; N67-D203 WeakPolarHBondContact CA-OD1 3.33Å; N67-D203 VanDerWaalsContact CB-OD1 3.25Å; N67-D203 WeakPolarHBondContact CB-OD1 3.4Å; N67-D203 PolarHBondContact N-OD1 3.03Å; N67-D203 PolarHBondContact ND2-O 3.02Å; N67-D203 PolarHBondContact ND2-OD1 3.36Å; S68-D203 PolarHBondContact N-OD1 3.37Å; L199-D203 WeakPolarHBondContact O-CB 3.23Å; L199-D203 PolarHBondContact O-N 3.1Å; S200-D203 PolarHBondContact O-N 3.03Å; D203-R205 VanDerWaalsContact C-N 3.27Å; D203-R205 PolarHBondContact O-N 2.77Å; D203-L206 PolarHBondContact O-N 3.23Å; D203-D207 PolarHBondContact O-N 3.17Å
204D93.6Very high93.9Very high83 Ų8338.1 Ų38.144%0.44420%0.198SC..Hα-helixtrans-61.1-37.5175.7-66.2-28.7000111.7S200 N201 D207 V208S200-D204 VanDerWaalsContact O-CG 3.24Å; S200-D204 PolarHBondContact O-N 3.38Å; N201-D204 PolarHBondContact O-N 2.78Å; D204-D207 PolarHBondContact O-N 2.93Å; D204-V208 PolarHBondContact O-N 3.14Å; D204-V208 VanDerWaalsContact O-N 3.14Å
205R93.7Very high94Very high42 Ų4240 Ų4016%0.15821%0.208CC..Hα-helixtrans-73.5-40.3179.8-67.2-83.850.788.4-7.3112.6H47 Y87 N201 N202 D203 D207 V208 E209H47-R205 VanDerWaalsContact CD2-CD 3.48Å; H47-R205 WeakPolarHBondContact CD2-CD 3.29Å; H47-R205 VanDerWaalsContact CG-CD 3.4Å; Y87-R205 HydrophobicContact CD1-CB 4.21Å; Y87-R205 HydrophobicContact CD2-CB 3.64Å; Y87-R205 HydrophobicContact CE2-CB 4.17Å; Y87-R205 HydrophobicContact CG-CB 3.66Å; Y87-R205 HydrophobicContact CG-CG 4.24Å; N201-R205 WeakPolarHBondContact O-CB 3.47Å; N201-R205 WeakPolarHBondContact O-CG 3.25Å; N201-R205 PolarHBondContact O-N 3.29Å; N202-R205 PolarHBondContact O-N 3.43Å; D203-R205 VanDerWaalsContact C-N 3.27Å; D203-R205 PolarHBondContact O-N 2.77Å; R205-D207 PolarHBondContact O-N 3.28Å; R205-V208 PolarHBondContact O-N 2.82Å; R205-E209 WeakPolarHBondContact O-CB 3.31Å; R205-E209 PolarHBondContact O-N 3.25Å
206L93.4Very high94.2Very high30 Ų3045.4 Ų45.416%0.15723%0.233CC..Hα-helixtrans-62.9-33.8171.9-70.5169.7000111.8N67 Q86 Y87 N202 D203 F210N67-L206 HydrophobicContact CB-CB 3.99Å; N67-L206 HydrophobicContact CB-CD1 3.55Å; N67-L206 HydrophobicContact CB-CG 4.41Å; Q86-L206 HydrophobicContact CB-CD2 4.39Å; Y87-L206 HydrophobicContact CD2-CD2 4.38Å; Y87-L206 HydrophobicContact CD2-CG 4.41Å; Y87-L206 HydrophobicContact CE2-CD2 4.06Å; Y87-L206 HydrophobicContact CE2-CG 4.48Å; N202-L206 WeakPolarHBondContact ND2-CD1 3.39Å; N202-L206 VanDerWaalsContact O-CG 3.29Å; N202-L206 WeakPolarHBondContact O-CG 3.43Å; N202-L206 PolarHBondContact O-N 3.43Å; D203-L206 PolarHBondContact O-N 3.23Å; L206-F210 VanDerWaalsContact O-CB 3.31Å; L206-F210 WeakPolarHBondContact O-CB 3.28Å; L206-F210 PolarHBondContact O-N 2.91Å
207D93Very high94.4Very high25 Ų2541.6 Ų41.613%0.13422%0.215CC..Hα-helixtrans-66.6-43.1174.4-86.411.2000112.3R66 N67 D203 D204 R205 F210 D211 R231R66-D207 WeakPolarHBondContact CD-OD1 3.22Å; R66-D207 IonicContact CZ-OD2 3.03Å; R66-D207 IonicContact NE-OD2 2.76Å; R66-D207 IonicContact NH1-OD1 3.94Å; R66-D207 IonicContact NH1-OD2 3.55Å; R66-D207 PolarHBondContact NH1-OD2 3.39Å; N67-D207 PolarHBondContact ND2-OD1 3.31Å; D203-D207 PolarHBondContact O-N 3.17Å; D204-D207 PolarHBondContact O-N 2.93Å; R205-D207 PolarHBondContact O-N 3.28Å; D207-F210 PolarHBondContact O-N 2.72Å; D207-D211 WeakPolarHBondContact O-CB 3.43Å; D207-D211 VanDerWaalsContact O-CG 3.31Å; D207-D211 PolarHBondContact O-N 3.24Å; D207-R231 IonicContact OD1-CZ 3.96Å; D207-R231 IonicContact OD1-NH1 3.7Å; D207-R231 PolarHBondContact OD1-NH1 3.06Å
208V93.3Very high94.4Very high42 Ų4242 Ų4226%0.25523%0.225SC..Hα-helixtrans-69.7-38.6175.7171.90000112.5N29 D204 R205 F210 D211 E212N29-V208 HydrophobicContact CB-CG1 4.21Å; D204-V208 PolarHBondContact O-N 3.14Å; D204-V208 VanDerWaalsContact O-N 3.14Å; R205-V208 PolarHBondContact O-N 2.82Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 3.4Å; V208-D211 PolarHBondContact O-N 3.45Å; V208-E212 PolarHBondContact O-N 3.47Å; V208-E212 VanDerWaalsContact O-N 3.08Å
209E92.1Very high94.4Very high65 Ų6545 Ų4530%0.30424%0.243SC..Hα-helixtrans-59.1-46.7173.1-178.6175.3-178.500110.6Y87 R205 D211 E212 S213Y87-E209 VanDerWaalsContact CE2-OE2 3.25Å; Y87-E209 WeakPolarHBondContact CE2-OE2 3.3Å; Y87-E209 VanDerWaalsContact OH-CD 3.29Å; Y87-E209 PolarHBondContact OH-OE2 2.81Å; R205-E209 WeakPolarHBondContact O-CB 3.31Å; R205-E209 PolarHBondContact O-N 3.25Å; E209-D211 PolarHBondContact O-N 3.08Å; E209-E212 PolarHBondContact O-N 3.26Å; E209-S213 WeakPolarHBondContact O-CB 3.4Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 PolarHBondContact O-OG 2.9Å
210F93.3Very high94.5Very high23 Ų2346.9 Ų46.910%0.10126%0.256CS..Hα-helixtrans-57.7-49.8174.2-179.7-86.7000111L206 D207 V208 E212 S213 M215 G226 F229 R231 F238L206-F210 VanDerWaalsContact O-CB 3.31Å; L206-F210 WeakPolarHBondContact O-CB 3.28Å; L206-F210 PolarHBondContact O-N 2.91Å; D207-F210 PolarHBondContact O-N 2.72Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-F210 PolarHBondContact O-N 3.4Å; F210-E212 VanDerWaalsContact C-N 3.26Å; F210-E212 PolarHBondContact O-N 2.89Å; F210-S213 PolarHBondContact O-N 3.4Å; F210-S213 PolarHBondContact O-OG 2.64Å; F210-M215 HydrophobicContact CE2-CE 3.96Å; F210-M215 HydrophobicContact CE2-CG 4.34Å; F210-M215 HydrophobicContact CZ-CG 4.49Å; F210-G226 WeakPolarHBondContact CE1-O 3.29Å; F210-G226 VanDerWaalsContact O-CA 3.28Å; F210-G226 WeakPolarHBondContact O-CA 3.47Å; F210-F229 HydrophobicContact CE1-CB 4.24Å; F210-F229 HydrophobicContact CZ-CB 4.21Å; F210-R231 HydrophobicContact CD1-CG 4.4Å; F210-R231 HydrophobicContact CE1-CG 3.67Å; F210-R231 HydrophobicContact CE2-CG 4.47Å; F210-R231 HydrophobicContact CZ-CG 3.71Å; F210-F238 HydrophobicContact CE2-CB 4.46Å; F210-F238 HydrophobicContact CE2-CD1 4.21Å; F210-F238 HydrophobicContact CE2-CG 4.19Å; F210-F238 HydrophobicContact CZ-CB 4.01Å; F210-F238 HydrophobicContact CZ-CG 4.11Å
211D94.4Very high94.7Very high61 Ų6152 Ų5233%0.32627%0.274SS..Hα-helixtrans-60.5-34.6-174.6-82.1-7.8000113.5D207 V208 E209 G226 K227D207-D211 WeakPolarHBondContact O-CB 3.43Å; D207-D211 VanDerWaalsContact O-CG 3.31Å; D207-D211 PolarHBondContact O-N 3.24Å; V208-D211 PolarHBondContact O-N 3.45Å; E209-D211 PolarHBondContact O-N 3.08Å; D211-G226 PolarHBondContact O-N 2.92Å; D211-K227 HydrophobicContact CB-CB 3.95Å; D211-K227 PolarHBondContact O-N 3.44Å
212E93.6Very high94.9Very high71 Ų7155.7 Ų55.733%0.33229%0.29SS..Hα-helixtrans-92.1-21.4-179.4-68.6-61.9138.600113.8V208 E209 F210 K225V208-E212 PolarHBondContact O-N 3.47Å; V208-E212 VanDerWaalsContact O-N 3.08Å; E209-E212 PolarHBondContact O-N 3.26Å; F210-E212 VanDerWaalsContact C-N 3.26Å; F210-E212 PolarHBondContact O-N 2.89Å; E212-K225 IonicContact OE2-NZ 3.73Å; E212-K225 PolarHBondContact OE2-NZ 3.29Å
213S93.7Very high95Very high39 Ų3959.8 Ų59.827%0.27332%0.316SS..SBendtrans-64149174.771.60000112.6E209 F210 M215 K225 G226E209-S213 WeakPolarHBondContact O-CB 3.4Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 PolarHBondContact O-OG 2.9Å; F210-S213 PolarHBondContact O-N 3.4Å; F210-S213 PolarHBondContact O-OG 2.64Å; S213-M215 PolarHBondContact OG-SD 2.88Å; S213-M215 VanDerWaalsContact OG-SD 3.39Å; S213-K225 CarbonylContact O-C 3.51Å; S213-K225 WeakPolarHBondContact O-CA 3.32Å; S213-G226 PolarHBondContact O-N 2.91Å
214L96.6Very high95.2Very high128 Ų12860.9 Ų60.967%0.6732%0.32SS*.EExtended strand (participates in β ladder)trans-85.2119.3172.4-68.3177.7000109.6T223 K225L214-T223 HydrophobicContact CB-CG2 3.89Å; L214-K225 HydrophobicContact CD2-CG 4.18Å
215M95.7Very high95.4Very high40 Ų4060.7 Ų60.720%0.19732%0.315CS..EExtended strand (participates in β ladder)trans-120.1143.8-176.6-57.4-59.2-71.500110.2F210 S213 T223 K224 F229 F238F210-M215 HydrophobicContact CE2-CE 3.96Å; F210-M215 HydrophobicContact CE2-CG 4.34Å; F210-M215 HydrophobicContact CZ-CG 4.49Å; S213-M215 PolarHBondContact OG-SD 2.88Å; S213-M215 VanDerWaalsContact OG-SD 3.39Å; M215-T223 CarbonylContact O-C 3.56Å; M215-T223 VanDerWaalsContact O-CA 3.31Å; M215-T223 WeakPolarHBondContact O-CA 3.36Å; M215-K224 PolarHBondContact N-O 2.99Å; M215-K224 PolarHBondContact O-N 2.68Å; M215-K224 VanDerWaalsContact O-O 3.09Å; M215-F229 HydrophobicContact CB-CD2 4.32Å; M215-F229 HydrophobicContact CB-CE1 4.33Å; M215-F229 HydrophobicContact CB-CE2 3.74Å; M215-F229 HydrophobicContact CB-CZ 3.77Å; M215-F229 WeakPolarHBondContact O-CZ 3.18Å; M215-F238 HydrophobicContact CE-CD2 4.31Å; M215-F238 HydrophobicContact CE-CE1 3.95Å; M215-F238 HydrophobicContact CE-CE2 3.59Å; M215-F238 HydrophobicContact CE-CZ 3.38Å
216E97.5Very high95.5Very high115 Ų11558.7 Ų58.754%0.53731%0.308SS..EExtended strand (participates in β ladder)trans-94.8133.4174.1-169.9-178.5106.100110.8
217C97.9Very high95.6Very high0 Ų062.9 Ų62.90%032%0.324CS..  trans-78.9124176.9-176.50000112.2V219 C220 F221 E222 F229 C240C217-V219 PolarHBondContact O-N 2.83Å; C217-V219 PolarHBondContact SG-N 2.68Å; C217-C220 VanDerWaalsContact CB-SG 3.51Å; C217-F221 WeakPolarHBondContact O-CA 3.38Å; C217-F221 PolarHBondContact O-N 2.86Å; C217-E222 PolarHBondContact N-O 2.75Å; C217-F229 HydrophobicContact CB-CE1 3.9Å; C217-F229 HydrophobicContact CB-CZ 4.05Å; C217-C240 HydrophobicContact CB-CB 3.99Å; C217-C240 PolarHBondContact SG-N 2.86Å
218A94.5Very high95.9Very high49 Ų4965.6 Ų65.641%0.40534%0.338SS..THydrogen-bonded Turntrans-63.6-10.6176.800000114.9
219V95.7Very high96Very high62 Ų6264.3 Ų64.338%0.37633%0.329SS..THydrogen-bonded Turntrans-103.1-50.1-178-178.40000112.1C217 I239 C243 L264C217-V219 PolarHBondContact O-N 2.83Å; C217-V219 PolarHBondContact SG-N 2.68Å; V219-I239 HydrophobicContact CB-CG2 4.41Å; V219-I239 HydrophobicContact CG2-CD1 4.41Å; V219-I239 HydrophobicContact CG2-CG1 4.39Å; V219-I239 HydrophobicContact CG2-CG2 3.73Å; V219-C243 HydrophobicContact CB-CB 3.96Å; V219-C243 HydrophobicContact CG1-CB 3.95Å; V219-C243 HydrophobicContact CG2-CB 4.48Å; V219-L264 HydrophobicContact CG1-CD1 4.47Å; V219-L264 HydrophobicContact CG2-CB 4.13Å; V219-L264 HydrophobicContact CG2-CD1 3.92Å
220C97Very high96.2Very high41 Ų4162.1 Ų62.128%0.27732%0.32SS..THydrogen-bonded Turntrans-101.4-7.6-179.764.40000114.6C217 E222 C243C217-C220 VanDerWaalsContact CB-SG 3.51Å; C220-E222 HydrophobicContact CB-CG 4.25Å; C220-E222 PolarHBondContact O-N 2.82Å; C220-E222 VanDerWaalsContact O-N 3.12Å; C220-C243 VanDerWaalsContact CB-SG 3.57Å; C220-C243 VanDerWaalsContact SG-SG 3.68Å
221F96.8Very high96.2Very high140 Ų14063.4 Ų63.461%0.61432%0.324SS*.  trans58.118.9-176.6-53.6-81.7000114.5C217C217-F221 WeakPolarHBondContact O-CA 3.38Å; C217-F221 PolarHBondContact O-N 2.86Å
222E98Very high96.1Very high100 Ų10060.8 Ų60.847%0.46731%0.31SS..  trans-86.6135.1174.1-63.2174.9160.900110.5C217 C220 K224C217-E222 PolarHBondContact N-O 2.75Å; C220-E222 HydrophobicContact CB-CG 4.25Å; C220-E222 PolarHBondContact O-N 2.82Å; C220-E222 VanDerWaalsContact O-N 3.12Å; E222-K224 WeakPolarHBondContact OE2-CE 3.23Å; E222-K224 IonicContact OE2-NZ 2.68Å; E222-K224 PolarHBondContact OE2-NZ 2.95Å
223T98.1Very high95.8Very high87 Ų8759.9 Ų59.953%0.53431%0.314SS..EExtended strand (participates in β ladder)trans-81.2122.2170.6-47.40000110.5L214 M215L214-T223 HydrophobicContact CB-CG2 3.89Å; M215-T223 CarbonylContact O-C 3.56Å; M215-T223 VanDerWaalsContact O-CA 3.31Å; M215-T223 WeakPolarHBondContact O-CA 3.36Å
224K97.6Very high95.5Very high35 Ų3563.1 Ų63.115%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-137.9160.7-179.2-65.3177.9-177.8174.80109.5M215 E222 L228 F229 C240 D242M215-K224 PolarHBondContact N-O 2.99Å; M215-K224 PolarHBondContact O-N 2.68Å; M215-K224 VanDerWaalsContact O-O 3.09Å; E222-K224 WeakPolarHBondContact OE2-CE 3.23Å; E222-K224 IonicContact OE2-NZ 2.68Å; E222-K224 PolarHBondContact OE2-NZ 2.95Å; K224-L228 HydrophobicContact CB-CB 4.44Å; K224-L228 HydrophobicContact CB-CD1 4.2Å; K224-L228 HydrophobicContact CD-CD1 4.49Å; K224-F229 HydrophobicContact CB-CE2 3.77Å; K224-F229 HydrophobicContact CB-CZ 4.45Å; K224-C240 HydrophobicContact CD-CB 4.24Å; K224-D242 IonicContact NZ-OD2 3.98Å; K224-D242 PolarHBondContact NZ-OD2 3.09Å
225K97.4Very high95.3Very high80 Ų8058.8 Ų58.835%0.34830%0.303SS..EExtended strand (participates in β ladder)trans-61.4141.2169.6-74.7-164.5170.1-161.60110.5E212 S213 L214 K227 L228 F229E212-K225 IonicContact OE2-NZ 3.73Å; E212-K225 PolarHBondContact OE2-NZ 3.29Å; S213-K225 CarbonylContact O-C 3.51Å; S213-K225 WeakPolarHBondContact O-CA 3.32Å; L214-K225 HydrophobicContact CD2-CG 4.18Å; K225-K227 HydrophobicContact CB-CD 4.46Å; K225-K227 HydrophobicContact CB-CG 3.98Å; K225-K227 HydrophobicContact CD-CD 4.46Å; K225-K227 PolarHBondContact O-N 2.76Å; K225-K227 VanDerWaalsContact O-N 3.09Å; K225-L228 WeakPolarHBondContact O-CB 3.16Å; K225-L228 PolarHBondContact O-N 2.8Å; K225-F229 WeakPolarHBondContact O-CD2 3.43Å
226G96.7Very high94.9Very high0 Ų061.2 Ų61.20%031%0.312CS..G310 helixtrans-55.3-29.1-179.300000113.8F210 D211 S213 L228 F229F210-G226 WeakPolarHBondContact CE1-O 3.29Å; F210-G226 VanDerWaalsContact O-CA 3.28Å; F210-G226 WeakPolarHBondContact O-CA 3.47Å; D211-G226 PolarHBondContact O-N 2.92Å; S213-G226 PolarHBondContact O-N 2.91Å; G226-L228 PolarHBondContact O-N 2.94Å; G226-F229 WeakPolarHBondContact O-CA 3.49Å; G226-F229 VanDerWaalsContact O-CB 3.29Å; G226-F229 WeakPolarHBondContact O-CB 3.44Å; G226-F229 PolarHBondContact O-N 2.92Å
227K96Very high94.7Very high117 Ų11756.5 Ų56.551%0.50929%0.292SS..G310 helixtrans-58.3-19.5174.673.4-176.2-175.91800114.6D211 K225 F229D211-K227 HydrophobicContact CB-CB 3.95Å; D211-K227 PolarHBondContact O-N 3.44Å; K225-K227 HydrophobicContact CB-CD 4.46Å; K225-K227 HydrophobicContact CB-CG 3.98Å; K225-K227 HydrophobicContact CD-CD 4.46Å; K225-K227 PolarHBondContact O-N 2.76Å; K225-K227 VanDerWaalsContact O-N 3.09Å; K227-F229 VanDerWaalsContact C-N 3.31Å
228L97.4Very high94.6Very high82 Ų8259.5 Ų59.543%0.42931%0.305SS..G310 helixtrans-90.76.6176.3-60.7178.1000112.4K224 K225 G226 R241K224-L228 HydrophobicContact CB-CB 4.44Å; K224-L228 HydrophobicContact CB-CD1 4.2Å; K224-L228 HydrophobicContact CD-CD1 4.49Å; K225-L228 WeakPolarHBondContact O-CB 3.16Å; K225-L228 PolarHBondContact O-N 2.8Å; G226-L228 PolarHBondContact O-N 2.94Å; L228-R241 VanDerWaalsContact O-CB 3.26Å; L228-R241 WeakPolarHBondContact O-CB 3.4Å; L228-R241 PolarHBondContact O-N 3.02Å
229F97.2Very high94.7Very high15 Ų1557.2 Ų57.27%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-105.9148.5178.4-71.7-111.7000112.1F210 M215 C217 K224 K225 G226 K227 F238 I239 C240F210-F229 HydrophobicContact CE1-CB 4.24Å; F210-F229 HydrophobicContact CZ-CB 4.21Å; M215-F229 HydrophobicContact CB-CD2 4.32Å; M215-F229 HydrophobicContact CB-CE1 4.33Å; M215-F229 HydrophobicContact CB-CE2 3.74Å; M215-F229 HydrophobicContact CB-CZ 3.77Å; M215-F229 WeakPolarHBondContact O-CZ 3.18Å; C217-F229 HydrophobicContact CB-CE1 3.9Å; C217-F229 HydrophobicContact CB-CZ 4.05Å; K224-F229 HydrophobicContact CB-CE2 3.77Å; K224-F229 HydrophobicContact CB-CZ 4.45Å; K225-F229 WeakPolarHBondContact O-CD2 3.43Å; G226-F229 WeakPolarHBondContact O-CA 3.49Å; G226-F229 VanDerWaalsContact O-CB 3.29Å; G226-F229 WeakPolarHBondContact O-CB 3.44Å; G226-F229 PolarHBondContact O-N 2.92Å; K227-F229 VanDerWaalsContact C-N 3.31Å; F229-F238 HydrophobicContact CB-CB 4.5Å; F229-F238 HydrophobicContact CD1-CB 4.34Å; F229-F238 AromaticContact CD1-CD2 3.75Å; F229-F238 HydrophobicContact CD1-CD2 3.75Å; F229-F238 AromaticContact CE1-CD2 3.97Å; F229-F238 HydrophobicContact CE1-CD2 3.97Å; F229-I239 WeakPolarHBondContact CA-O 3.31Å; F229-C240 HydrophobicContact CD1-CB 4.24Å; F229-C240 VanDerWaalsContact CD1-N 3.29Å; F229-C240 HydrophobicContact CE1-CB 4.11Å; F229-C240 HydrophobicContact CE2-CB 4.48Å; F229-C240 HydrophobicContact CG-CB 4.47Å; F229-C240 HydrophobicContact CZ-CB 4.22Å
230I94.7Very high94.8Very high19 Ų1954.2 Ų54.210%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-93.2129.1165-58.6-56.5000107.6F232 F238 I239 R241 T244 I278I230-F232 HydrophobicContact CG2-CD1 4.42Å; I230-F232 HydrophobicContact CG2-CE1 4.03Å; I230-F232 HydrophobicContact CG2-CE2 4.39Å; I230-F232 HydrophobicContact CG2-CZ 4.02Å; I230-F238 VanDerWaalsContact O-CA 3.23Å; I230-F238 WeakPolarHBondContact O-CA 3.41Å; I230-I239 PolarHBondContact N-O 3.41Å; I230-I239 PolarHBondContact O-N 3.44Å; I230-R241 HydrophobicContact CD1-CB 4.45Å; I230-R241 HydrophobicContact CD1-CG 4.24Å; I230-R241 HydrophobicContact CG1-CB 4.32Å; I230-R241 HydrophobicContact CG1-CG 4.4Å; I230-T244 HydrophobicContact CG1-CG2 4.38Å; I230-I278 HydrophobicContact CD1-CG1 4.11Å; I230-I278 HydrophobicContact CG1-CG1 4.25Å; I230-I278 HydrophobicContact CG2-CD1 3.63Å; I230-I278 HydrophobicContact CG2-CG1 3.93Å
231R93.2Very high94.8Very high51 Ų5157.7 Ų57.719%0.19228%0.275CS..EExtended strand (participates in β ladder)trans-108.2114.9177.3-56172.571.5-168-9.1108.8N67 D207 F210 F238N67-R231 PolarHBondContact OD1-NH2 3.15Å; D207-R231 IonicContact OD1-CZ 3.96Å; D207-R231 IonicContact OD1-NH1 3.7Å; D207-R231 PolarHBondContact OD1-NH1 3.06Å; F210-R231 HydrophobicContact CD1-CG 4.4Å; F210-R231 HydrophobicContact CE1-CG 3.67Å; F210-R231 HydrophobicContact CE2-CG 4.47Å; F210-R231 HydrophobicContact CZ-CG 3.71Å; R231-F238 HydrophobicContact CG-CB 4.21Å
232F92.5Very high94.8Very high6 Ų656 Ų563%0.02627%0.273CS..  trans-79.7130-174.2-64.6-78.5000111.5I230 K234 C235 K236 C237 I239 T244 F248 C263 V270 E274 I278I230-F232 HydrophobicContact CG2-CD1 4.42Å; I230-F232 HydrophobicContact CG2-CE1 4.03Å; I230-F232 HydrophobicContact CG2-CE2 4.39Å; I230-F232 HydrophobicContact CG2-CZ 4.02Å; F232-K234 PolarHBondContact O-N 3.04Å; F232-C235 VanDerWaalsContact CB-SG 3.59Å; F232-K236 WeakPolarHBondContact O-CA 3.43Å; F232-K236 PolarHBondContact O-N 2.78Å; F232-C237 HydrophobicContact CD2-CB 4.43Å; F232-C237 WeakPolarHBondContact CD2-O 3.26Å; F232-C237 PolarHBondContact N-O 2.8Å; F232-I239 HydrophobicContact CE2-CB 4.25Å; F232-I239 HydrophobicContact CE2-CD1 3.86Å; F232-I239 HydrophobicContact CE2-CG1 4.21Å; F232-T244 HydrophobicContact CE1-CG2 4.38Å; F232-T244 HydrophobicContact CZ-CG2 3.76Å; F232-F248 HydrophobicContact CE1-CZ 4.16Å; F232-F248 HydrophobicContact CZ-CZ 4.4Å; F232-C263 HydrophobicContact CD2-CB 4.5Å; F232-V270 HydrophobicContact CD1-CB 4.48Å; F232-V270 HydrophobicContact CD1-CG1 3.93Å; F232-V270 HydrophobicContact CD1-CG2 3.73Å; F232-V270 HydrophobicContact CE1-CG1 3.99Å; F232-V270 HydrophobicContact CE1-CG2 3.63Å; F232-E274 WeakPolarHBondContact CA-OE1 3.39Å; F232-I278 HydrophobicContact CE1-CD1 4.21Å
233A88.5Confident94.8Very high51 Ų5152.4 Ų52.442%0.42126%0.258SS..THydrogen-bonded Turntrans-66.4-38.7-171.300000113.6K236 E274A233-K236 WeakPolarHBondContact O-CE 3.46Å; A233-E274 WeakPolarHBondContact CB-OE1 3.2Å; A233-E274 PolarHBondContact N-OE1 2.82Å
234K87.7Confident94.7Very high108 Ų10848.2 Ų48.247%0.4723%0.233SC..THydrogen-bonded Turntrans-76.6-59.6-177.3-67.7-174.5-173.9169.60112.5F232 E268 E269F232-K234 PolarHBondContact O-N 3.04Å; K234-E268 HydrophobicContact CB-CG 4Å; K234-E268 HydrophobicContact CD-CG 4.16Å; K234-E268 IonicContact NZ-OE1 3.39Å; K234-E269 WeakPolarHBondContact CD-O 3.15Å; K234-E269 WeakPolarHBondContact CE-O 3.28Å; K234-E269 PolarHBondContact NZ-O 3.16Å
235C90.7Very high94.6Very high36 Ų3647.8 Ų47.824%0.24323%0.232CC..THydrogen-bonded Turntrans-90.1-6-173.762.80000114.3F232 C237 C266 E268F232-C235 VanDerWaalsContact CB-SG 3.59Å; C235-C237 PolarHBondContact O-N 3.4Å; C235-C266 WeakPolarHBondContact CB-SG 3.31Å; C235-E268 HydrophobicContact CB-CB 3.84Å; C235-E268 HydrophobicContact CB-CG 4.04Å
236K88.6Confident94.6Very high91 Ų9145.5 Ų45.540%0.39623%0.231SC..  trans59.56.3-180-51.8-63.1-177165.60115.3R66 F232 A233R66-K236 PolarHBondContact O-NZ 2.94Å; F232-K236 WeakPolarHBondContact O-CA 3.43Å; F232-K236 PolarHBondContact O-N 2.78Å; A233-K236 WeakPolarHBondContact O-CE 3.46Å
237C93.4Very high94.4Very high16 Ų1646.6 Ų46.611%0.10824%0.239CC..  trans-64.8155.4171.6-63.60000110.2F232 C235 Q265F232-C237 HydrophobicContact CD2-CB 4.43Å; F232-C237 WeakPolarHBondContact CD2-O 3.26Å; F232-C237 PolarHBondContact N-O 2.8Å; C235-C237 PolarHBondContact O-N 3.4Å; C237-Q265 HydrophobicContact CB-CB 4.28Å
238F94.9Very high94.3Very high63 Ų6341.1 Ų41.128%0.27622%0.215SC..EExtended strand (participates in β ladder)trans-130.2133.417554.6-93.8000110.2F210 M215 F229 I230 R231F210-F238 HydrophobicContact CE2-CB 4.46Å; F210-F238 HydrophobicContact CE2-CD1 4.21Å; F210-F238 HydrophobicContact CE2-CG 4.19Å; F210-F238 HydrophobicContact CZ-CB 4.01Å; F210-F238 HydrophobicContact CZ-CG 4.11Å; M215-F238 HydrophobicContact CE-CD2 4.31Å; M215-F238 HydrophobicContact CE-CE1 3.95Å; M215-F238 HydrophobicContact CE-CE2 3.59Å; M215-F238 HydrophobicContact CE-CZ 3.38Å; F229-F238 HydrophobicContact CB-CB 4.5Å; F229-F238 HydrophobicContact CD1-CB 4.34Å; F229-F238 AromaticContact CD1-CD2 3.75Å; F229-F238 HydrophobicContact CD1-CD2 3.75Å; F229-F238 AromaticContact CE1-CD2 3.97Å; F229-F238 HydrophobicContact CE1-CD2 3.97Å; I230-F238 VanDerWaalsContact O-CA 3.23Å; I230-F238 WeakPolarHBondContact O-CA 3.41Å; R231-F238 HydrophobicContact CG-CB 4.21Å
239I97Very high94.2Very high1 Ų141 Ų411%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-134.5143.5179.1-63.2164.6000107.6V219 F229 I230 F232 C243 T244 L264 Q265V219-I239 HydrophobicContact CB-CG2 4.41Å; V219-I239 HydrophobicContact CG2-CD1 4.41Å; V219-I239 HydrophobicContact CG2-CG1 4.39Å; V219-I239 HydrophobicContact CG2-CG2 3.73Å; F229-I239 WeakPolarHBondContact CA-O 3.31Å; I230-I239 PolarHBondContact N-O 3.41Å; I230-I239 PolarHBondContact O-N 3.44Å; F232-I239 HydrophobicContact CE2-CB 4.25Å; F232-I239 HydrophobicContact CE2-CD1 3.86Å; F232-I239 HydrophobicContact CE2-CG1 4.21Å; I239-C243 HydrophobicContact CG2-CB 3.8Å; I239-T244 WeakPolarHBondContact CG2-OG1 3.31Å; I239-L264 HydrophobicContact CD1-CB 3.76Å; I239-L264 HydrophobicContact CD1-CD1 4.43Å; I239-L264 HydrophobicContact CD1-CG 4.43Å; I239-Q265 HydrophobicContact CD1-CB 4.28Å
240C97.5Very high93.9Very high0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-59.3147.4179.382.90000110.7C217 K224 F229 D242 C243 T244C217-C240 HydrophobicContact CB-CB 3.99Å; C217-C240 PolarHBondContact SG-N 2.86Å; K224-C240 HydrophobicContact CD-CB 4.24Å; F229-C240 HydrophobicContact CD1-CB 4.24Å; F229-C240 VanDerWaalsContact CD1-N 3.29Å; F229-C240 HydrophobicContact CE1-CB 4.11Å; F229-C240 HydrophobicContact CE2-CB 4.48Å; F229-C240 HydrophobicContact CG-CB 4.47Å; F229-C240 HydrophobicContact CZ-CB 4.22Å; C240-D242 VanDerWaalsContact C-N 3.27Å; C240-D242 PolarHBondContact O-N 2.84Å; C240-C243 PolarHBondContact O-N 2.8Å; C240-C243 VanDerWaalsContact SG-CB 3.55Å; C240-C243 PolarHBondContact SG-N 2.7Å; C240-C243 PolarHBondContact SG-SG 2.68Å; C240-T244 PolarHBondContact O-N 2.87Å; C240-T244 PolarHBondContact O-OG1 2.87Å
241R96.7Very high93.7Very high114 Ų11446.9 Ų46.943%0.4325%0.245SC..Hα-helixtrans-57.9-42.1-174.4-176.9173.8-174.1158.14.8111.5L228 I230 T244 I245L228-R241 VanDerWaalsContact O-CB 3.26Å; L228-R241 WeakPolarHBondContact O-CB 3.4Å; L228-R241 PolarHBondContact O-N 3.02Å; I230-R241 HydrophobicContact CD1-CB 4.45Å; I230-R241 HydrophobicContact CD1-CG 4.24Å; I230-R241 HydrophobicContact CG1-CB 4.32Å; I230-R241 HydrophobicContact CG1-CG 4.4Å; R241-T244 PolarHBondContact O-N 3.17Å; R241-I245 HydrophobicContact CG-CD1 3.61Å; R241-I245 HydrophobicContact CG-CG1 4.26Å; R241-I245 WeakPolarHBondContact O-CB 3.29Å; R241-I245 VanDerWaalsContact O-CG1 3.29Å; R241-I245 WeakPolarHBondContact O-CG1 3.4Å; R241-I245 PolarHBondContact O-N 3.36Å
242D97.1Very high93.5Very high104 Ų10444.5 Ų44.556%0.55624%0.236SC*.Hα-helixtrans-61.1-47.8-180-52.9-38000111.8K224 C240 G246K224-D242 IonicContact NZ-OD2 3.98Å; K224-D242 PolarHBondContact NZ-OD2 3.09Å; C240-D242 VanDerWaalsContact C-N 3.27Å; C240-D242 PolarHBondContact O-N 2.84Å; D242-G246 PolarHBondContact O-N 3.42Å
243C97.9Very high93.3Very high24 Ų2448.2 Ų48.216%0.16226%0.257CS..Hα-helixtrans-64.8-41.6178-74.30000112V219 C220 I239 C240 S247V219-C243 HydrophobicContact CB-CB 3.96Å; V219-C243 HydrophobicContact CG1-CB 3.95Å; V219-C243 HydrophobicContact CG2-CB 4.48Å; C220-C243 VanDerWaalsContact CB-SG 3.57Å; C220-C243 VanDerWaalsContact SG-SG 3.68Å; I239-C243 HydrophobicContact CG2-CB 3.8Å; C240-C243 PolarHBondContact O-N 2.8Å; C240-C243 VanDerWaalsContact SG-CB 3.55Å; C240-C243 PolarHBondContact SG-N 2.7Å; C240-C243 PolarHBondContact SG-SG 2.68Å; C243-S247 WeakPolarHBondContact O-CB 3.42Å; C243-S247 PolarHBondContact O-N 3.25Å
244T96.6Very high93Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-62.7-51.8178.8-54.30000110.7I230 F232 I239 C240 R241 G246 S247 F248 I278I230-T244 HydrophobicContact CG1-CG2 4.38Å; F232-T244 HydrophobicContact CE1-CG2 4.38Å; F232-T244 HydrophobicContact CZ-CG2 3.76Å; I239-T244 WeakPolarHBondContact CG2-OG1 3.31Å; C240-T244 PolarHBondContact O-N 2.87Å; C240-T244 PolarHBondContact O-OG1 2.87Å; R241-T244 PolarHBondContact O-N 3.17Å; T244-G246 PolarHBondContact O-N 3.1Å; T244-S247 PolarHBondContact O-N 3.27Å; T244-F248 HydrophobicContact CG2-CD2 4.16Å; T244-F248 HydrophobicContact CG2-CE1 4.28Å; T244-F248 HydrophobicContact CG2-CE2 3.74Å; T244-F248 HydrophobicContact CG2-CZ 3.79Å; T244-F248 WeakPolarHBondContact O-CB 3.49Å; T244-F248 WeakPolarHBondContact O-CG 3.46Å; T244-F248 PolarHBondContact O-N 3.46Å; T244-I278 HydrophobicContact CG2-CD1 4.47Å; T244-I278 HydrophobicContact CG2-CG2 3.89Å
245I96Very high91.9Very high26 Ų2651.1 Ų51.113%0.13328%0.277CS..Hα-helixtrans-63.8-43.6179.5-67.9176000110.6R241 F248 K249 I278R241-I245 HydrophobicContact CG-CD1 3.61Å; R241-I245 HydrophobicContact CG-CG1 4.26Å; R241-I245 WeakPolarHBondContact O-CB 3.29Å; R241-I245 VanDerWaalsContact O-CG1 3.29Å; R241-I245 WeakPolarHBondContact O-CG1 3.4Å; R241-I245 PolarHBondContact O-N 3.36Å; I245-F248 PolarHBondContact O-N 2.76Å; I245-K249 HydrophobicContact CG2-CD 3.84Å; I245-K249 HydrophobicContact CG2-CG 4.2Å; I245-K249 VanDerWaalsContact O-CB 3.28Å; I245-K249 WeakPolarHBondContact O-CB 3.2Å; I245-K249 VanDerWaalsContact O-CG 3.27Å; I245-K249 WeakPolarHBondContact O-CG 3.46Å; I245-K249 PolarHBondContact O-N 3.03Å; I245-I278 WeakPolarHBondContact CD1-O 3.25Å; I245-I278 HydrophobicContact CG1-CG2 3.88Å
246G95.6Very high90.8Very high31 Ų3153.9 Ų53.932%0.3229%0.288SS..Hα-helixtrans-58.9-48.4178.900000111.9D242 T244 K249 L250D242-G246 PolarHBondContact O-N 3.42Å; T244-G246 PolarHBondContact O-N 3.1Å; G246-K249 PolarHBondContact O-N 3.38Å; G246-L250 VanDerWaalsContact O-CG 3.31Å; G246-L250 WeakPolarHBondContact O-CG 3.45Å; G246-L250 PolarHBondContact O-N 3.47Å
247S93.2Very high90Very high24 Ų2450 Ų5017%0.16827%0.272CS..Hα-helixtrans-62.8-47.6176.5170.10000112.5C243 T244 K249 L250 S251 L264C243-S247 WeakPolarHBondContact O-CB 3.42Å; C243-S247 PolarHBondContact O-N 3.25Å; T244-S247 PolarHBondContact O-N 3.27Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 3.23Å; S247-L250 WeakPolarHBondContact O-CB 3.36Å; S247-L250 PolarHBondContact O-N 3.12Å; S247-L250 VanDerWaalsContact O-N 3.11Å; S247-S251 PolarHBondContact O-N 3.47Å; S247-S251 PolarHBondContact O-OG 3.34Å; S247-L264 WeakPolarHBondContact OG-CD2 3.33Å
248F94.9Very high88.8Confident2 Ų253.9 Ų53.91%0.00929%0.291CS..Hα-helixtrans-64.3-39-179.8-70.20.2000111.8F232 T244 I245 L250 S251 V252 L261 V270 I278 L279F232-F248 HydrophobicContact CE1-CZ 4.16Å; F232-F248 HydrophobicContact CZ-CZ 4.4Å; T244-F248 HydrophobicContact CG2-CD2 4.16Å; T244-F248 HydrophobicContact CG2-CE1 4.28Å; T244-F248 HydrophobicContact CG2-CE2 3.74Å; T244-F248 HydrophobicContact CG2-CZ 3.79Å; T244-F248 WeakPolarHBondContact O-CB 3.49Å; T244-F248 WeakPolarHBondContact O-CG 3.46Å; T244-F248 PolarHBondContact O-N 3.46Å; I245-F248 PolarHBondContact O-N 2.76Å; F248-L250 VanDerWaalsContact C-N 3.31Å; F248-L250 PolarHBondContact O-N 2.96Å; F248-S251 PolarHBondContact O-N 2.82Å; F248-V252 WeakPolarHBondContact O-CB 3.13Å; F248-V252 WeakPolarHBondContact O-CG2 3.34Å; F248-V252 PolarHBondContact O-N 2.9Å; F248-L261 HydrophobicContact CB-CD1 3.94Å; F248-L261 HydrophobicContact CB-CD2 4.47Å; F248-L261 HydrophobicContact CD1-CB 4.15Å; F248-L261 HydrophobicContact CD1-CD1 4.21Å; F248-L261 HydrophobicContact CD1-CD2 4.25Å; F248-L261 HydrophobicContact CD1-CG 4.42Å; F248-L261 HydrophobicContact CD2-CD1 3.75Å; F248-L261 HydrophobicContact CE1-CB 4.01Å; F248-L261 HydrophobicContact CE2-CB 4.46Å; F248-L261 HydrophobicContact CE2-CD1 4.28Å; F248-L261 HydrophobicContact CG-CB 4.46Å; F248-L261 HydrophobicContact CG-CD1 3.72Å; F248-L261 HydrophobicContact CG-CD2 4.41Å; F248-L261 HydrophobicContact CG-CG 4.41Å; F248-L261 HydrophobicContact CZ-CB 4.19Å; F248-V270 HydrophobicContact CZ-CG2 3.98Å; F248-I278 HydrophobicContact CD2-CG2 4.04Å; F248-I278 HydrophobicContact CE2-CD1 4.05Å; F248-I278 HydrophobicContact CE2-CG2 4.14Å; F248-L279 HydrophobicContact CB-CD2 3.71Å; F248-L279 HydrophobicContact CB-CG 4.45Å; F248-L279 HydrophobicContact CD2-CD2 4.3Å; F248-L279 HydrophobicContact CD2-CG 4.35Å
249K93.9Very high87.9Confident79 Ų7951 Ų5134%0.34328%0.28SS..Hα-helixtrans-59.2-42.5172.7-80.5179.4176.7-177.10111.7I245 G246 S247 N253 I283I245-K249 HydrophobicContact CG2-CD 3.84Å; I245-K249 HydrophobicContact CG2-CG 4.2Å; I245-K249 VanDerWaalsContact O-CB 3.28Å; I245-K249 WeakPolarHBondContact O-CB 3.2Å; I245-K249 VanDerWaalsContact O-CG 3.27Å; I245-K249 WeakPolarHBondContact O-CG 3.46Å; I245-K249 PolarHBondContact O-N 3.03Å; G246-K249 PolarHBondContact O-N 3.38Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 3.23Å; K249-N253 VanDerWaalsContact O-CB 3.22Å; K249-N253 WeakPolarHBondContact O-CB 2.87Å; K249-N253 VanDerWaalsContact O-CG 3.22Å; K249-N253 PolarHBondContact O-N 2.97Å; K249-N253 PolarHBondContact O-ND2 3.25Å; K249-I283 HydrophobicContact CD-CG1 4.49Å; K249-I283 HydrophobicContact CG-CD1 4.35Å; K249-I283 HydrophobicContact CG-CG1 4.05Å; K249-I283 HydrophobicContact CG-CG2 4.08Å
250L91.5Very high87.3Confident121 Ų12153.5 Ų53.563%0.63430%0.296SS*.Hα-helixtrans-62.1-52.3175.7-70.7168.4000110.4G246 S247 F248 V252 N253 E254G246-L250 VanDerWaalsContact O-CG 3.31Å; G246-L250 WeakPolarHBondContact O-CG 3.45Å; G246-L250 PolarHBondContact O-N 3.47Å; S247-L250 WeakPolarHBondContact O-CB 3.36Å; S247-L250 PolarHBondContact O-N 3.12Å; S247-L250 VanDerWaalsContact O-N 3.11Å; F248-L250 VanDerWaalsContact C-N 3.31Å; F248-L250 PolarHBondContact O-N 2.96Å; L250-V252 VanDerWaalsContact C-N 3.32Å; L250-V252 PolarHBondContact O-N 3Å; L250-N253 CarbonylContact O-C 3.56Å; L250-N253 PolarHBondContact O-N 3.3Å; L250-E254 WeakPolarHBondContact O-CG 3.15Å; L250-E254 PolarHBondContact O-N 3.42Å
251S89.5Confident87.1Confident37 Ų3753.8 Ų53.826%0.25930%0.298SS..Hα-helixtrans-61.8-35.1-179.2-56.90000113.9S247 F248 N253S247-S251 PolarHBondContact O-N 3.47Å; S247-S251 PolarHBondContact O-OG 3.34Å; F248-S251 PolarHBondContact O-N 2.82Å; S251-N253 VanDerWaalsContact C-N 3.34Å
252V90.4Very high86.9Confident0 Ų051.2 Ų51.20%029%0.294CS..Hα-helixtrans-73.4-27.9175.3171.60000112F248 L250 L261 I283 K286 Y287 L290F248-V252 WeakPolarHBondContact O-CB 3.13Å; F248-V252 WeakPolarHBondContact O-CG2 3.34Å; F248-V252 PolarHBondContact O-N 2.9Å; L250-V252 VanDerWaalsContact C-N 3.32Å; L250-V252 PolarHBondContact O-N 3Å; V252-L261 HydrophobicContact CG2-CD1 4.4Å; V252-L261 HydrophobicContact CG2-CD2 4.33Å; V252-I283 HydrophobicContact CB-CG2 4.18Å; V252-I283 HydrophobicContact CG1-CG2 3.97Å; V252-I283 HydrophobicContact CG2-CG2 4.37Å; V252-K286 HydrophobicContact CG1-CB 4.11Å; V252-K286 HydrophobicContact CG1-CD 3.93Å; V252-K286 HydrophobicContact CG1-CG 3.84Å; V252-K286 VanDerWaalsContact O-CE 3.31Å; V252-K286 WeakPolarHBondContact O-CE 3.29Å; V252-Y287 HydrophobicContact CG2-CD2 3.92Å; V252-Y287 HydrophobicContact CG2-CG 4.35Å; V252-L290 HydrophobicContact CG1-CD1 4.1Å; V252-L290 WeakPolarHBondContact O-CD1 3.4Å
253N88.4Confident86.8Confident85 Ų8546.3 Ų46.346%0.45527%0.269SS..Hα-helixtrans-93.2-9.2179.9-70.9-36.2000114.1K249 L250 S251 K286K249-N253 VanDerWaalsContact O-CB 3.22Å; K249-N253 WeakPolarHBondContact O-CB 2.87Å; K249-N253 VanDerWaalsContact O-CG 3.22Å; K249-N253 PolarHBondContact O-N 2.97Å; K249-N253 PolarHBondContact O-ND2 3.25Å; L250-N253 CarbonylContact O-C 3.56Å; L250-N253 PolarHBondContact O-N 3.3Å; S251-N253 VanDerWaalsContact C-N 3.34Å; N253-K286 PolarHBondContact OD1-NZ 2.76Å
254E81.1Confident86.5Confident95 Ų9548.9 Ų48.944%0.44428%0.28SS..SBendtrans-56.7146.1170.4-81.8174.6-16800111.4L250 L256L250-E254 WeakPolarHBondContact O-CG 3.15Å; L250-E254 PolarHBondContact O-N 3.42Å; E254-L256 PolarHBondContact O-N 3.29Å
255S64.3Low86.3Confident125 Ų12553.7 Ų53.787%0.87430%0.303SS*.SBendtrans-65.4-29.1180560000112.9
256L69.1Low86.2Confident93 Ų9355.8 Ų55.849%0.48732%0.319SS..SBendtrans-117.993.4178.4-72.4161.6000107.9E254 N258E254-L256 PolarHBondContact O-N 3.29Å; L256-N258 PolarHBondContact O-N 2.87Å; L256-N258 VanDerWaalsContact O-N 3.07Å; L256-N258 PolarHBondContact O-OD1 3.32Å
257F70.6Confident86Confident11 Ų1156.4 Ų56.45%0.04833%0.326CS..  trans-65.5109.8177.1176.8-106.5000110.5G259 Y287 L290 V291 R294F257-G259 VanDerWaalsContact C-N 3.25Å; F257-G259 VanDerWaalsContact CE1-O 3.3Å; F257-G259 WeakPolarHBondContact CE1-O 3.44Å; F257-G259 WeakPolarHBondContact CE2-O 3.39Å; F257-G259 WeakPolarHBondContact CZ-O 3.46Å; F257-G259 PolarHBondContact O-N 3.15Å; F257-Y287 AromaticContact CE2-CD2 3.8Å; F257-Y287 HydrophobicContact CE2-CD2 3.8Å; F257-Y287 AromaticContact CE2-CE2 3.97Å; F257-Y287 HydrophobicContact CE2-CE2 3.97Å; F257-Y287 AromaticContact CZ-CD2 3.7Å; F257-Y287 HydrophobicContact CZ-CD2 3.7Å; F257-Y287 AromaticContact CZ-CE2 3.54Å; F257-Y287 HydrophobicContact CZ-CE2 3.54Å; F257-L290 HydrophobicContact CB-CB 4.45Å; F257-L290 HydrophobicContact CB-CD1 4.19Å; F257-L290 HydrophobicContact CB-CD2 4.31Å; F257-L290 HydrophobicContact CD1-CB 3.86Å; F257-L290 HydrophobicContact CD2-CB 4.37Å; F257-L290 HydrophobicContact CD2-CD1 3.99Å; F257-L290 HydrophobicContact CE1-CB 4.12Å; F257-L290 HydrophobicContact CG-CB 3.97Å; F257-L290 HydrophobicContact CG-CD1 4.08Å; F257-L290 HydrophobicContact CG-CG 4.48Å; F257-L290 HydrophobicContact CZ-CB 4.47Å; F257-V291 HydrophobicContact CE1-CG2 3.87Å; F257-V291 HydrophobicContact CZ-CG2 3.8Å; F257-R294 PolarHBondContact O-NH1 2.97Å
258N68.6Low86Confident96 Ų9659.4 Ų59.451%0.51334%0.337SS..  trans-81.28-169.8-71.7-40.5000115.1L256 R294L256-N258 PolarHBondContact O-N 2.87Å; L256-N258 VanDerWaalsContact O-N 3.07Å; L256-N258 PolarHBondContact O-OD1 3.32Å; N258-R294 PolarHBondContact O-NH1 3.4Å; N258-R294 VanDerWaalsContact O-NH1 3.13Å; N258-R294 PolarHBondContact O-NH2 3.36Å
259G75.3Confident85.9Confident4 Ų464.1 Ų64.14%0.04136%0.359CS..SBendtrans112.9-147.3170.900000112.4F257F257-G259 VanDerWaalsContact C-N 3.25Å; F257-G259 VanDerWaalsContact CE1-O 3.3Å; F257-G259 WeakPolarHBondContact CE1-O 3.44Å; F257-G259 WeakPolarHBondContact CE2-O 3.39Å; F257-G259 WeakPolarHBondContact CZ-O 3.46Å; F257-G259 PolarHBondContact O-N 3.15Å
260P84.8Confident85.8Confident53 Ų5360.9 Ų60.934%0.34435%0.346SS..SBendtrans-60.4143.4-176.225.8-32000111E269P260-E269 HydrophobicContact CB-CB 4.43Å; P260-E269 HydrophobicContact CB-CG 4.13Å; P260-E269 HydrophobicContact CG-CG 3.78Å; P260-E269 WeakPolarHBondContact CG-OE1 3.33Å
261L92.9Very high85.8Confident6 Ų657.1 Ų57.13%0.03133%0.326CS..  trans-69.2138.9174.3-62172.5000109.5F248 V252 V270 I275 L279 Y287F248-L261 HydrophobicContact CB-CD1 3.94Å; F248-L261 HydrophobicContact CB-CD2 4.47Å; F248-L261 HydrophobicContact CD1-CB 4.15Å; F248-L261 HydrophobicContact CD1-CD1 4.21Å; F248-L261 HydrophobicContact CD1-CD2 4.25Å; F248-L261 HydrophobicContact CD1-CG 4.42Å; F248-L261 HydrophobicContact CD2-CD1 3.75Å; F248-L261 HydrophobicContact CE1-CB 4.01Å; F248-L261 HydrophobicContact CE2-CB 4.46Å; F248-L261 HydrophobicContact CE2-CD1 4.28Å; F248-L261 HydrophobicContact CG-CB 4.46Å; F248-L261 HydrophobicContact CG-CD1 3.72Å; F248-L261 HydrophobicContact CG-CD2 4.41Å; F248-L261 HydrophobicContact CG-CG 4.41Å; F248-L261 HydrophobicContact CZ-CB 4.19Å; V252-L261 HydrophobicContact CG2-CD1 4.4Å; V252-L261 HydrophobicContact CG2-CD2 4.33Å; L261-V270 PolarHBondContact O-N 2.94Å; L261-I275 HydrophobicContact CB-CD1 3.95Å; L261-I275 HydrophobicContact CB-CG1 4.47Å; L261-I275 HydrophobicContact CD1-CD1 4.08Å; L261-I275 HydrophobicContact CD1-CG1 4.19Å; L261-I275 HydrophobicContact CD1-CG2 3.8Å; L261-I275 HydrophobicContact CG-CD1 4.31Å; L261-L279 HydrophobicContact CD1-CD1 4.12Å; L261-Y287 HydrophobicContact CD1-CD2 3.88Å; L261-Y287 HydrophobicContact CD1-CE2 3.76Å; L261-Y287 HydrophobicContact CD2-CE2 4.46Å; L261-Y287 HydrophobicContact CG-CD2 4.08Å; L261-Y287 HydrophobicContact CG-CE2 3.62Å
262T93.1Very high85.9Confident59 Ų5959.7 Ų59.736%0.36233%0.331SS..BIsolated β-bridgetrans-120.3154.7-174.355.60000111.8L264 G267 E268 E269T262-L264 PolarHBondContact O-N 2.93Å; T262-G267 WeakPolarHBondContact CB-O 3.34Å; T262-G267 VanDerWaalsContact CG2-O 3.29Å; T262-G267 WeakPolarHBondContact CG2-O 3.43Å; T262-E268 CarbonylContact C-O 3.46Å; T262-E268 VanDerWaalsContact CA-O 3.31Å; T262-E268 WeakPolarHBondContact CA-O 3.27Å; T262-E269 HydrophobicContact CG2-CG 4.29Å
263C94.4Very high86Confident2 Ų264.6 Ų64.61%0.01436%0.361CS..  trans-64.8127.1172.6-179.60000110.1F232 Q265 C266 G267 E268F232-C263 HydrophobicContact CD2-CB 4.5Å; C263-Q265 PolarHBondContact O-N 3.34Å; C263-Q265 VanDerWaalsContact O-N 3.15Å; C263-C266 PolarHBondContact O-N 3.04Å; C263-G267 VanDerWaalsContact O-CA 3.31Å; C263-G267 WeakPolarHBondContact O-CA 3.25Å; C263-G267 PolarHBondContact O-N 3.37Å; C263-E268 PolarHBondContact N-O 2.87Å
264L92.6Very high86.2Confident78 Ų7861.9 Ų61.941%0.40835%0.345SS..THydrogen-bonded Turntrans-65.8-18.6-178.7-63.2163.7000114.1V219 I239 S247 T262V219-L264 HydrophobicContact CG1-CD1 4.47Å; V219-L264 HydrophobicContact CG2-CB 4.13Å; V219-L264 HydrophobicContact CG2-CD1 3.92Å; I239-L264 HydrophobicContact CD1-CB 3.76Å; I239-L264 HydrophobicContact CD1-CD1 4.43Å; I239-L264 HydrophobicContact CD1-CG 4.43Å; S247-L264 WeakPolarHBondContact OG-CD2 3.33Å; T262-L264 PolarHBondContact O-N 2.93Å
265Q92.2Very high86.8Confident101 Ų10157.3 Ų57.347%0.47232%0.324SS..THydrogen-bonded Turntrans-87.8-37.4-177.3-174.1172.6-33.300112.6C237 I239 C263C237-Q265 HydrophobicContact CB-CB 4.28Å; I239-Q265 HydrophobicContact CD1-CB 4.28Å; C263-Q265 PolarHBondContact O-N 3.34Å; C263-Q265 VanDerWaalsContact O-N 3.15Å
266C93.7Very high88.3Confident69 Ų6959.3 Ų59.347%0.46631%0.312SS..THydrogen-bonded Turntrans-129.4-8.6-172.667.40000115.1C235 C263 E268C235-C266 WeakPolarHBondContact CB-SG 3.31Å; C263-C266 PolarHBondContact O-N 3.04Å; C266-E268 VanDerWaalsContact C-N 3.27Å; C266-E268 PolarHBondContact O-N 3.38Å; C266-E268 VanDerWaalsContact SG-CB 3.55Å
267G91Very high89.5Confident45 Ų4563.3 Ų63.346%0.46432%0.323SS..  trans78.70.3-178.400000115.4T262 C263T262-G267 WeakPolarHBondContact CB-O 3.34Å; T262-G267 VanDerWaalsContact CG2-O 3.29Å; T262-G267 WeakPolarHBondContact CG2-O 3.43Å; C263-G267 VanDerWaalsContact O-CA 3.31Å; C263-G267 WeakPolarHBondContact O-CA 3.25Å; C263-G267 PolarHBondContact O-N 3.37Å
268E92.9Very high90.6Very high87 Ų8763 Ų6341%0.40732%0.321SS..PPolyproline II helixtrans-63137.6177.9-175.962.7-129.700111.6K234 C235 T262 C263 C266 V270K234-E268 HydrophobicContact CB-CG 4Å; K234-E268 HydrophobicContact CD-CG 4.16Å; K234-E268 IonicContact NZ-OE1 3.39Å; C235-E268 HydrophobicContact CB-CB 3.84Å; C235-E268 HydrophobicContact CB-CG 4.04Å; T262-E268 CarbonylContact C-O 3.46Å; T262-E268 VanDerWaalsContact CA-O 3.31Å; T262-E268 WeakPolarHBondContact CA-O 3.27Å; C263-E268 PolarHBondContact N-O 2.87Å; C266-E268 VanDerWaalsContact C-N 3.27Å; C266-E268 PolarHBondContact O-N 3.38Å; C266-E268 VanDerWaalsContact SG-CB 3.55Å; E268-V270 PolarHBondContact O-N 3.03Å
269E93Very high91.8Very high100 Ų10059 Ų5947%0.46730%0.299SS..BIsolated β-bridgetrans-68.3126-179.8-66-177.5-179.400111.9K234 P260 T262K234-E269 WeakPolarHBondContact CD-O 3.15Å; K234-E269 WeakPolarHBondContact CE-O 3.28Å; K234-E269 PolarHBondContact NZ-O 3.16Å; P260-E269 HydrophobicContact CB-CB 4.43Å; P260-E269 HydrophobicContact CB-CG 4.13Å; P260-E269 HydrophobicContact CG-CG 3.78Å; P260-E269 WeakPolarHBondContact CG-OE1 3.33Å; T262-E269 HydrophobicContact CG2-CG 4.29Å
270V93.4Very high92.7Very high11 Ų1160.9 Ų60.97%0.06731%0.311CS..PPolyproline II helixtrans-78139.8178.8-173.80000109.9F232 F248 L261 E268 E274 I275F232-V270 HydrophobicContact CD1-CB 4.48Å; F232-V270 HydrophobicContact CD1-CG1 3.93Å; F232-V270 HydrophobicContact CD1-CG2 3.73Å; F232-V270 HydrophobicContact CE1-CG1 3.99Å; F232-V270 HydrophobicContact CE1-CG2 3.63Å; F248-V270 HydrophobicContact CZ-CG2 3.98Å; L261-V270 PolarHBondContact O-N 2.94Å; E268-V270 PolarHBondContact O-N 3.03Å; V270-E274 HydrophobicContact CG1-CB 3.74Å; V270-I275 HydrophobicContact CB-CD1 4.22Å; V270-I275 HydrophobicContact CB-CG1 4.09Å; V270-I275 HydrophobicContact CG1-CD1 4.41Å; V270-I275 HydrophobicContact CG1-CG1 3.79Å
271N91.2Very high93.2Very high43 Ų4365.6 Ų65.623%0.2333%0.329CS..PPolyproline II helixtrans-73.3154.4-177.679.341.6000111.8T273 E274 I275N271-T273 VanDerWaalsContact C-N 3.29Å; N271-T273 PolarHBondContact O-N 3.24Å; N271-T273 PolarHBondContact OD1-N 3.11Å; N271-T273 PolarHBondContact OD1-OG1 3.4Å; N271-E274 PolarHBondContact N-OE2 2.84Å; N271-E274 VanDerWaalsContact ND2-CD 3.31Å; N271-E274 WeakPolarHBondContact ND2-CG 3.34Å; N271-E274 PolarHBondContact ND2-OE2 3.49Å; N271-E274 PolarHBondContact O-N 3.4Å; N271-E274 VanDerWaalsContact OD1-CB 3.25Å; N271-E274 WeakPolarHBondContact OD1-CB 3.46Å; N271-E274 WeakPolarHBondContact OD1-CG 3.27Å; N271-E274 PolarHBondContact OD1-N 2.98Å; N271-E274 PolarHBondContact OD1-OE2 3.22Å; N271-I275 WeakPolarHBondContact O-CG1 3.49Å; N271-I275 PolarHBondContact O-N 2.93Å; N271-I275 VanDerWaalsContact O-N 3.1Å
272Y91.3Very high93.3Very high91 Ų9170.4 Ų70.436%0.35736%0.355SS..Hα-helixtrans-57.6-40.3-176.5-173.2-104.7000113.4I275 R276 F284 Y287 E288Y272-I275 PolarHBondContact O-N 3Å; Y272-R276 PolarHBondContact O-N 2.95Å; Y272-F284 AromaticContact CE1-CZ 3.9Å; Y272-F284 HydrophobicContact CE1-CZ 3.9Å; Y272-F284 HydrophobicContact CE2-CE2 4.14Å; Y272-F284 HydrophobicContact CE2-CZ 4.06Å; Y272-F284 AromaticContact CZ-CZ 3.47Å; Y272-F284 VanDerWaalsContact CZ-CZ 3.47Å; Y272-F284 WeakPolarHBondContact OH-CZ 2.83Å; Y272-Y287 HydrophobicContact CD2-CE1 4.09Å; Y272-Y287 HydrophobicContact CE2-CE1 4.06Å; Y272-E288 VanDerWaalsContact OH-CG 3.29Å; Y272-E288 WeakPolarHBondContact OH-CG 3.47Å; Y272-E288 PolarHBondContact OH-OE1 2.86Å
273T91.8Very high93.4Very high102 Ų10268.4 Ų68.463%0.62634%0.342SS*.Hα-helixtrans-68.2-36.2-178.447.40000113N271 Y277N271-T273 VanDerWaalsContact C-N 3.29Å; N271-T273 PolarHBondContact O-N 3.24Å; N271-T273 PolarHBondContact OD1-N 3.11Å; N271-T273 PolarHBondContact OD1-OG1 3.4Å; T273-Y277 PolarHBondContact O-N 3.45Å
274E92.8Very high93.4Very high28 Ų2868.9 Ų68.913%0.13134%0.343CS..Hα-helixtrans-67.4-46174.5-77.7175.4119.500109.4F232 A233 V270 N271 R276 Y277 I278F232-E274 WeakPolarHBondContact CA-OE1 3.39Å; A233-E274 WeakPolarHBondContact CB-OE1 3.2Å; A233-E274 PolarHBondContact N-OE1 2.82Å; V270-E274 HydrophobicContact CG1-CB 3.74Å; N271-E274 PolarHBondContact N-OE2 2.84Å; N271-E274 VanDerWaalsContact ND2-CD 3.31Å; N271-E274 WeakPolarHBondContact ND2-CG 3.34Å; N271-E274 PolarHBondContact ND2-OE2 3.49Å; N271-E274 PolarHBondContact O-N 3.4Å; N271-E274 VanDerWaalsContact OD1-CB 3.25Å; N271-E274 WeakPolarHBondContact OD1-CB 3.46Å; N271-E274 WeakPolarHBondContact OD1-CG 3.27Å; N271-E274 PolarHBondContact OD1-N 2.98Å; N271-E274 PolarHBondContact OD1-OE2 3.22Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 3.18Å; E274-Y277 PolarHBondContact O-N 3.44Å; E274-I278 HydrophobicContact CB-CD1 4.2Å; E274-I278 WeakPolarHBondContact O-CB 3.35Å; E274-I278 WeakPolarHBondContact O-CD1 3.36Å; E274-I278 WeakPolarHBondContact O-CG1 3.4Å; E274-I278 PolarHBondContact O-N 3.19Å
275I95Very high93.5Very high0 Ų068.6 Ų68.60%034%0.342CS..Hα-helixtrans-57.9-43.4177.9-65.5167.4000110.9L261 V270 N271 Y272 Y277 I278 L279 F284 Y287L261-I275 HydrophobicContact CB-CD1 3.95Å; L261-I275 HydrophobicContact CB-CG1 4.47Å; L261-I275 HydrophobicContact CD1-CD1 4.08Å; L261-I275 HydrophobicContact CD1-CG1 4.19Å; L261-I275 HydrophobicContact CD1-CG2 3.8Å; L261-I275 HydrophobicContact CG-CD1 4.31Å; V270-I275 HydrophobicContact CB-CD1 4.22Å; V270-I275 HydrophobicContact CB-CG1 4.09Å; V270-I275 HydrophobicContact CG1-CD1 4.41Å; V270-I275 HydrophobicContact CG1-CG1 3.79Å; N271-I275 WeakPolarHBondContact O-CG1 3.49Å; N271-I275 PolarHBondContact O-N 2.93Å; N271-I275 VanDerWaalsContact O-N 3.1Å; Y272-I275 PolarHBondContact O-N 3Å; I275-Y277 VanDerWaalsContact C-N 3.29Å; I275-Y277 PolarHBondContact O-N 2.98Å; I275-I278 PolarHBondContact O-N 3.46Å; I275-L279 HydrophobicContact CG2-CD1 3.62Å; I275-L279 HydrophobicContact CG2-CG 4.28Å; I275-L279 WeakPolarHBondContact O-CB 3.31Å; I275-L279 PolarHBondContact O-N 3.49Å; I275-F284 HydrophobicContact CG2-CD2 4.23Å; I275-F284 HydrophobicContact CG2-CE2 4.41Å; I275-Y287 HydrophobicContact CB-CE1 4.4Å; I275-Y287 HydrophobicContact CD1-CE1 4.01Å; I275-Y287 HydrophobicContact CD1-CE2 4.44Å; I275-Y287 VanDerWaalsContact CD1-OH 3.25Å; I275-Y287 WeakPolarHBondContact CD1-OH 3.43Å; I275-Y287 HydrophobicContact CG2-CD1 3.78Å; I275-Y287 HydrophobicContact CG2-CE1 3.69Å; I275-Y287 HydrophobicContact CG2-CG 4.35Å
276R94.9Very high93.5Very high166 Ų16668 Ų6863%0.62634%0.338SS*.Hα-helixtrans-59.3-37.1174.8-175.2172.6175.4158.61.4113.4Y272 E274 F284Y272-R276 PolarHBondContact O-N 2.95Å; E274-R276 VanDerWaalsContact C-N 3.29Å; E274-R276 PolarHBondContact O-N 3.18Å; R276-F284 VanDerWaalsContact CA-CD2 3.49Å; R276-F284 HydrophobicContact CB-CD2 4.01Å; R276-F284 HydrophobicContact CB-CE1 4.35Å; R276-F284 HydrophobicContact CB-CE2 3.42Å; R276-F284 VanDerWaalsContact CB-CE2 3.42Å; R276-F284 HydrophobicContact CB-CZ 3.6Å; R276-F284 HydrophobicContact CG-CD1 4.38Å; R276-F284 HydrophobicContact CG-CD2 4.36Å; R276-F284 HydrophobicContact CG-CE1 3.96Å; R276-F284 HydrophobicContact CG-CE2 3.94Å; R276-F284 HydrophobicContact CG-CZ 3.69Å
277Y93.5Very high93.5Very high178 Ų17865.2 Ų65.270%0.69832%0.318SS*.Hα-helixtrans-78.7-32.2179.5-175.2-93.1000112.6T273 E274 I275T273-Y277 PolarHBondContact O-N 3.45Å; E274-Y277 PolarHBondContact O-N 3.44Å; I275-Y277 VanDerWaalsContact C-N 3.29Å; I275-Y277 PolarHBondContact O-N 2.98Å
278I94.6Very high93.6Very high5 Ų567.2 Ų67.23%0.02632%0.315CS..Hα-helixtrans-77.5-45.6-177.3-67.9161.1000111.3I230 F232 T244 I245 F248 E274 I275I230-I278 HydrophobicContact CD1-CG1 4.11Å; I230-I278 HydrophobicContact CG1-CG1 4.25Å; I230-I278 HydrophobicContact CG2-CD1 3.63Å; I230-I278 HydrophobicContact CG2-CG1 3.93Å; F232-I278 HydrophobicContact CE1-CD1 4.21Å; T244-I278 HydrophobicContact CG2-CD1 4.47Å; T244-I278 HydrophobicContact CG2-CG2 3.89Å; I245-I278 WeakPolarHBondContact CD1-O 3.25Å; I245-I278 HydrophobicContact CG1-CG2 3.88Å; F248-I278 HydrophobicContact CD2-CG2 4.04Å; F248-I278 HydrophobicContact CE2-CD1 4.05Å; F248-I278 HydrophobicContact CE2-CG2 4.14Å; E274-I278 HydrophobicContact CB-CD1 4.2Å; E274-I278 WeakPolarHBondContact O-CB 3.35Å; E274-I278 WeakPolarHBondContact O-CD1 3.36Å; E274-I278 WeakPolarHBondContact O-CG1 3.4Å; E274-I278 PolarHBondContact O-N 3.19Å; I275-I278 PolarHBondContact O-N 3.46Å
279L94.8Very high93.4Very high10 Ų1066.7 Ų66.75%0.05232%0.321CS..SBendtrans-84.9143.8-171.6-73.2178.4000112.7F248 L261 I275 I283 F284F248-L279 HydrophobicContact CB-CD2 3.71Å; F248-L279 HydrophobicContact CB-CG 4.45Å; F248-L279 HydrophobicContact CD2-CD2 4.3Å; F248-L279 HydrophobicContact CD2-CG 4.35Å; L261-L279 HydrophobicContact CD1-CD1 4.12Å; I275-L279 HydrophobicContact CG2-CD1 3.62Å; I275-L279 HydrophobicContact CG2-CG 4.28Å; I275-L279 WeakPolarHBondContact O-CB 3.31Å; I275-L279 PolarHBondContact O-N 3.49Å; L279-I283 HydrophobicContact CD1-CG2 4.11Å; L279-I283 HydrophobicContact CD2-CG2 3.96Å; L279-F284 HydrophobicContact CB-CB 4.16Å
280P94.2Very high93.2Very high45 Ų4563.9 Ų63.929%0.29231%0.309SS..  trans-56.9150.6162.7-24.936.4000112.1D282 I283 F284P280-D282 VanDerWaalsContact C-N 3.32Å; P280-D282 WeakPolarHBondContact CB-OD1 3.11Å; P280-D282 PolarHBondContact O-N 3.02Å; P280-I283 PolarHBondContact O-N 3.16Å; P280-I283 VanDerWaalsContact O-N 3.17Å; P280-F284 WeakPolarHBondContact O-CB 3.33Å; P280-F284 PolarHBondContact O-N 3.39Å
281E95.2Very high93.1Very high151 Ų15165.9 Ų65.971%0.70632%0.321SS*.Hα-helixtrans-56.9-40.4-173.2-171.8174.4178.700113.5F284 N285E281-F284 PolarHBondContact O-N 3.09Å; E281-N285 WeakPolarHBondContact O-CB 3.3Å; E281-N285 PolarHBondContact O-N 3.11Å; E281-N285 PolarHBondContact O-ND2 3Å
282D94.2Very high92.9Very high108 Ų10869.1 Ų69.158%0.57834%0.338SS*.Hα-helixtrans-62.8-44.8178.461.1-54.3000112.6P280 K286P280-D282 VanDerWaalsContact C-N 3.32Å; P280-D282 WeakPolarHBondContact CB-OD1 3.11Å; P280-D282 PolarHBondContact O-N 3.02Å; D282-K286 PolarHBondContact O-N 3.13Å
283I93.9Very high92.6Very high17 Ų1770 Ų709%0.08734%0.344CS..Hα-helixtrans-72.4-38.3178.6-53.8-60.6000110.4K249 V252 L279 P280 K286 Y287K249-I283 HydrophobicContact CD-CG1 4.49Å; K249-I283 HydrophobicContact CG-CD1 4.35Å; K249-I283 HydrophobicContact CG-CG1 4.05Å; K249-I283 HydrophobicContact CG-CG2 4.08Å; V252-I283 HydrophobicContact CB-CG2 4.18Å; V252-I283 HydrophobicContact CG1-CG2 3.97Å; V252-I283 HydrophobicContact CG2-CG2 4.37Å; L279-I283 HydrophobicContact CD1-CG2 4.11Å; L279-I283 HydrophobicContact CD2-CG2 3.96Å; P280-I283 PolarHBondContact O-N 3.16Å; P280-I283 VanDerWaalsContact O-N 3.17Å; I283-K286 PolarHBondContact O-N 3.24Å; I283-Y287 WeakPolarHBondContact O-CB 3.48Å; I283-Y287 PolarHBondContact O-N 3.49Å
284F95.3Very high92.2Very high11 Ų1166.4 Ų66.45%0.04832%0.318CS..Hα-helixtrans-62.7-44.8177178.9-100.7000112.1Y272 I275 R276 L279 P280 E281 K286 Y287 E288Y272-F284 AromaticContact CE1-CZ 3.9Å; Y272-F284 HydrophobicContact CE1-CZ 3.9Å; Y272-F284 HydrophobicContact CE2-CE2 4.14Å; Y272-F284 HydrophobicContact CE2-CZ 4.06Å; Y272-F284 AromaticContact CZ-CZ 3.47Å; Y272-F284 VanDerWaalsContact CZ-CZ 3.47Å; Y272-F284 WeakPolarHBondContact OH-CZ 2.83Å; I275-F284 HydrophobicContact CG2-CD2 4.23Å; I275-F284 HydrophobicContact CG2-CE2 4.41Å; R276-F284 VanDerWaalsContact CA-CD2 3.49Å; R276-F284 HydrophobicContact CB-CD2 4.01Å; R276-F284 HydrophobicContact CB-CE1 4.35Å; R276-F284 HydrophobicContact CB-CE2 3.42Å; R276-F284 VanDerWaalsContact CB-CE2 3.42Å; R276-F284 HydrophobicContact CB-CZ 3.6Å; R276-F284 HydrophobicContact CG-CD1 4.38Å; R276-F284 HydrophobicContact CG-CD2 4.36Å; R276-F284 HydrophobicContact CG-CE1 3.96Å; R276-F284 HydrophobicContact CG-CE2 3.94Å; R276-F284 HydrophobicContact CG-CZ 3.69Å; L279-F284 HydrophobicContact CB-CB 4.16Å; P280-F284 WeakPolarHBondContact O-CB 3.33Å; P280-F284 PolarHBondContact O-N 3.39Å; E281-F284 PolarHBondContact O-N 3.09Å; F284-K286 VanDerWaalsContact C-N 3.27Å; F284-K286 PolarHBondContact O-N 2.89Å; F284-Y287 HydrophobicContact CD2-CD1 4.37Å; F284-Y287 HydrophobicContact CE2-CD1 4.37Å; F284-Y287 CarbonylContact O-C 3.57Å; F284-Y287 WeakPolarHBondContact O-CA 3.37Å; F284-Y287 WeakPolarHBondContact O-CB 3.43Å; F284-Y287 PolarHBondContact O-N 3.44Å; F284-Y287 VanDerWaalsContact O-N 3.1Å; F284-E288 PolarHBondContact O-N 3.45Å
285N94.2Very high91.8Very high73 Ų7366.6 Ų66.639%0.3933%0.328SS..Hα-helixtrans-61.8-37.6177.3-69.4-20.7000111.8E281 S289E281-N285 WeakPolarHBondContact O-CB 3.3Å; E281-N285 PolarHBondContact O-N 3.11Å; E281-N285 PolarHBondContact O-ND2 3Å; N285-S289 WeakPolarHBondContact O-CB 3.45Å; N285-S289 PolarHBondContact O-N 2.62Å; N285-S289 PolarHBondContact O-OG 2.9Å
286K92.9Very high91.4Very high88 Ų8868.5 Ų68.538%0.38334%0.338SS..Hα-helixtrans-64.7-45.9172.4-176.7174.2174.8-178.60111.3V252 N253 D282 I283 F284 S289 L290V252-K286 HydrophobicContact CG1-CB 4.11Å; V252-K286 HydrophobicContact CG1-CD 3.93Å; V252-K286 HydrophobicContact CG1-CG 3.84Å; V252-K286 VanDerWaalsContact O-CE 3.31Å; V252-K286 WeakPolarHBondContact O-CE 3.29Å; N253-K286 PolarHBondContact OD1-NZ 2.76Å; D282-K286 PolarHBondContact O-N 3.13Å; I283-K286 PolarHBondContact O-N 3.24Å; F284-K286 VanDerWaalsContact C-N 3.27Å; F284-K286 PolarHBondContact O-N 2.89Å; K286-S289 PolarHBondContact O-N 3.17Å; K286-L290 HydrophobicContact CG-CD1 4.09Å; K286-L290 VanDerWaalsContact O-CG 3.27Å; K286-L290 WeakPolarHBondContact O-CG 3.29Å; K286-L290 PolarHBondContact O-N 3.27Å
287Y93.1Very high90.7Very high10 Ų1061.8 Ų61.84%0.03932%0.315CS..Hα-helixtrans-57.9-48.6175170.5-100.7000111.9V252 F257 L261 Y272 I275 I283 F284 S289 L290 V291V252-Y287 HydrophobicContact CG2-CD2 3.92Å; V252-Y287 HydrophobicContact CG2-CG 4.35Å; F257-Y287 AromaticContact CE2-CD2 3.8Å; F257-Y287 HydrophobicContact CE2-CD2 3.8Å; F257-Y287 AromaticContact CE2-CE2 3.97Å; F257-Y287 HydrophobicContact CE2-CE2 3.97Å; F257-Y287 AromaticContact CZ-CD2 3.7Å; F257-Y287 HydrophobicContact CZ-CD2 3.7Å; F257-Y287 AromaticContact CZ-CE2 3.54Å; F257-Y287 HydrophobicContact CZ-CE2 3.54Å; L261-Y287 HydrophobicContact CD1-CD2 3.88Å; L261-Y287 HydrophobicContact CD1-CE2 3.76Å; L261-Y287 HydrophobicContact CD2-CE2 4.46Å; L261-Y287 HydrophobicContact CG-CD2 4.08Å; L261-Y287 HydrophobicContact CG-CE2 3.62Å; Y272-Y287 HydrophobicContact CD2-CE1 4.09Å; Y272-Y287 HydrophobicContact CE2-CE1 4.06Å; I275-Y287 HydrophobicContact CB-CE1 4.4Å; I275-Y287 HydrophobicContact CD1-CE1 4.01Å; I275-Y287 HydrophobicContact CD1-CE2 4.44Å; I275-Y287 VanDerWaalsContact CD1-OH 3.25Å; I275-Y287 WeakPolarHBondContact CD1-OH 3.43Å; I275-Y287 HydrophobicContact CG2-CD1 3.78Å; I275-Y287 HydrophobicContact CG2-CE1 3.69Å; I275-Y287 HydrophobicContact CG2-CG 4.35Å; I283-Y287 WeakPolarHBondContact O-CB 3.48Å; I283-Y287 PolarHBondContact O-N 3.49Å; F284-Y287 HydrophobicContact CD2-CD1 4.37Å; F284-Y287 HydrophobicContact CE2-CD1 4.37Å; F284-Y287 CarbonylContact O-C 3.57Å; F284-Y287 WeakPolarHBondContact O-CA 3.37Å; F284-Y287 WeakPolarHBondContact O-CB 3.43Å; F284-Y287 PolarHBondContact O-N 3.44Å; F284-Y287 VanDerWaalsContact O-N 3.1Å; Y287-S289 VanDerWaalsContact C-N 3.32Å; Y287-S289 PolarHBondContact O-N 2.85Å; Y287-L290 PolarHBondContact O-N 3.01Å; Y287-L290 VanDerWaalsContact O-N 3.14Å; Y287-V291 HydrophobicContact CD1-CG2 4.29Å; Y287-V291 HydrophobicContact CD2-CG2 4.02Å; Y287-V291 HydrophobicContact CE1-CG2 3.84Å; Y287-V291 HydrophobicContact CE2-CG2 3.55Å; Y287-V291 HydrophobicContact CG-CG2 4.37Å; Y287-V291 VanDerWaalsContact CZ-CG2 3.44Å; Y287-V291 WeakPolarHBondContact O-CG2 3.17Å; Y287-V291 PolarHBondContact O-N 3.45Å
288E92.6Very high90.2Very high88 Ų8856.8 Ų56.841%0.41130%0.299SS..Hα-helixtrans-58.5-44.6178-175.5176.7-123.700111.2Y272 F284 L290 V291 L292Y272-E288 VanDerWaalsContact OH-CG 3.29Å; Y272-E288 WeakPolarHBondContact OH-CG 3.47Å; Y272-E288 PolarHBondContact OH-OE1 2.86Å; F284-E288 PolarHBondContact O-N 3.45Å; E288-L290 PolarHBondContact O-N 3.3Å; E288-V291 PolarHBondContact O-N 3.48Å; E288-L292 WeakPolarHBondContact O-CB 3.49Å; E288-L292 PolarHBondContact O-N 3.27Å
289S90Very high89.7Confident75 Ų7560.7 Ų60.752%0.52432%0.319SS..Hα-helixtrans-61.8-41176-59.20000112.4N285 K286 Y287 K293N285-S289 WeakPolarHBondContact O-CB 3.45Å; N285-S289 PolarHBondContact O-N 2.62Å; N285-S289 PolarHBondContact O-OG 2.9Å; K286-S289 PolarHBondContact O-N 3.17Å; Y287-S289 VanDerWaalsContact C-N 3.32Å; Y287-S289 PolarHBondContact O-N 2.85Å; S289-K293 VanDerWaalsContact O-CB 3.22Å; S289-K293 WeakPolarHBondContact O-CB 3.36Å; S289-K293 PolarHBondContact O-N 3.33Å
290L89.5Confident88.9Confident42 Ų4264 Ų6422%0.2234%0.341CS..Hα-helixtrans-69.2-41.2177.9-71.7169.8000112.2V252 F257 K286 Y287 E288 K293 R294V252-L290 HydrophobicContact CG1-CD1 4.1Å; V252-L290 WeakPolarHBondContact O-CD1 3.4Å; F257-L290 HydrophobicContact CB-CB 4.45Å; F257-L290 HydrophobicContact CB-CD1 4.19Å; F257-L290 HydrophobicContact CB-CD2 4.31Å; F257-L290 HydrophobicContact CD1-CB 3.86Å; F257-L290 HydrophobicContact CD2-CB 4.37Å; F257-L290 HydrophobicContact CD2-CD1 3.99Å; F257-L290 HydrophobicContact CE1-CB 4.12Å; F257-L290 HydrophobicContact CG-CB 3.97Å; F257-L290 HydrophobicContact CG-CD1 4.08Å; F257-L290 HydrophobicContact CG-CG 4.48Å; F257-L290 HydrophobicContact CZ-CB 4.47Å; K286-L290 HydrophobicContact CG-CD1 4.09Å; K286-L290 VanDerWaalsContact O-CG 3.27Å; K286-L290 WeakPolarHBondContact O-CG 3.29Å; K286-L290 PolarHBondContact O-N 3.27Å; Y287-L290 PolarHBondContact O-N 3.01Å; Y287-L290 VanDerWaalsContact O-N 3.14Å; E288-L290 PolarHBondContact O-N 3.3Å; L290-K293 PolarHBondContact O-N 3.03Å; L290-R294 VanDerWaalsContact O-CB 3.25Å; L290-R294 WeakPolarHBondContact O-CB 3.34Å; L290-R294 PolarHBondContact O-N 3.28Å
291V89.8Confident88.5Confident53 Ų5365.4 Ų65.432%0.32135%0.346SS..Hα-helixtrans-64.3-44.9175.8171.20000110.7F257 Y287 E288 R294 G295F257-V291 HydrophobicContact CE1-CG2 3.87Å; F257-V291 HydrophobicContact CZ-CG2 3.8Å; Y287-V291 HydrophobicContact CD1-CG2 4.29Å; Y287-V291 HydrophobicContact CD2-CG2 4.02Å; Y287-V291 HydrophobicContact CE1-CG2 3.84Å; Y287-V291 HydrophobicContact CE2-CG2 3.55Å; Y287-V291 HydrophobicContact CG-CG2 4.37Å; Y287-V291 VanDerWaalsContact CZ-CG2 3.44Å; Y287-V291 WeakPolarHBondContact O-CG2 3.17Å; Y287-V291 PolarHBondContact O-N 3.45Å; E288-V291 PolarHBondContact O-N 3.48Å; V291-R294 PolarHBondContact O-N 3.41Å; V291-G295 PolarHBondContact O-N 2.78Å
292L88.4Confident88.2Confident110 Ų11058.9 Ų58.958%0.57632%0.316SS*.Hα-helixtrans-61.2-50.1175.3175.661.3000110.9E288 R294 G295 L296E288-L292 WeakPolarHBondContact O-CB 3.49Å; E288-L292 PolarHBondContact O-N 3.27Å; L292-R294 VanDerWaalsContact C-N 3.32Å; L292-R294 PolarHBondContact O-N 3.39Å; L292-G295 PolarHBondContact O-N 3.17Å; L292-G295 VanDerWaalsContact O-N 3.13Å; L292-L296 HydrophobicContact CD1-CD1 4.17Å; L292-L296 HydrophobicContact CD1-CG 4.21Å; L292-L296 HydrophobicContact CG-CD1 4.14Å; L292-L296 WeakPolarHBondContact O-CG 3.22Å; L292-L296 PolarHBondContact O-N 3.48Å
293K84.4Confident87.8Confident111 Ų11154.5 Ų54.548%0.48329%0.293SS..Hα-helixtrans-56.2-47.9178.4-173.5-178176.41780111S289 L290 G295 L296 D297S289-K293 VanDerWaalsContact O-CB 3.22Å; S289-K293 WeakPolarHBondContact O-CB 3.36Å; S289-K293 PolarHBondContact O-N 3.33Å; L290-K293 PolarHBondContact O-N 3.03Å; K293-G295 PolarHBondContact O-N 3.11Å; K293-L296 PolarHBondContact O-N 3.34Å; K293-D297 WeakPolarHBondContact O-CB 3.22Å; K293-D297 PolarHBondContact O-N 2.81Å
294R83.2Confident87.6Confident25 Ų2556.8 Ų56.89%0.09430%0.301CS..Hα-helixtrans-61.2-42175.9-178.7175172.4128.3-3.7112.7F257 N258 L290 V291 L292 L296 D297 I298 Y404 H406F257-R294 PolarHBondContact O-NH1 2.97Å; N258-R294 PolarHBondContact O-NH1 3.4Å; N258-R294 VanDerWaalsContact O-NH1 3.13Å; N258-R294 PolarHBondContact O-NH2 3.36Å; L290-R294 VanDerWaalsContact O-CB 3.25Å; L290-R294 WeakPolarHBondContact O-CB 3.34Å; L290-R294 PolarHBondContact O-N 3.28Å; V291-R294 PolarHBondContact O-N 3.41Å; L292-R294 VanDerWaalsContact C-N 3.32Å; L292-R294 PolarHBondContact O-N 3.39Å; R294-L296 VanDerWaalsContact C-N 3.3Å; R294-L296 PolarHBondContact O-N 3.07Å; R294-D297 PolarHBondContact O-N 3.06Å; R294-I298 HydrophobicContact CG-CD1 3.76Å; R294-I298 HydrophobicContact CG-CG1 4.39Å; R294-I298 WeakPolarHBondContact O-CB 3.48Å; R294-I298 WeakPolarHBondContact O-CD1 3.22Å; R294-I298 WeakPolarHBondContact O-CG1 3.37Å; R294-I298 PolarHBondContact O-N 2.89Å; R294-Y404 WeakPolarHBondContact CA-OH 3.3Å; R294-Y404 HydrophobicContact CB-CE1 4.5Å; R294-Y404 WeakPolarHBondContact CB-OH 3.37Å; R294-Y404 HydrophobicContact CG-CE1 4.14Å; R294-Y404 HydrophobicContact CG-CE2 4.38Å; R294-Y404 VanDerWaalsContact CZ-O 3.27Å; R294-Y404 PolarHBondContact NH1-O 3.32Å; R294-Y404 PolarHBondContact NH2-O 3.2Å; R294-Y404 VanDerWaalsContact NH2-O 3.11Å; R294-H406 PolarHBondContact NH2-NE2 3.08Å
295G84.9Confident87.4Confident33 Ų3356.4 Ų56.434%0.3430%0.299SS..Hα-helixtrans-58.3-42.7175.200000112.3V291 L292 K293 M299V291-G295 PolarHBondContact O-N 2.78Å; L292-G295 PolarHBondContact O-N 3.17Å; L292-G295 VanDerWaalsContact O-N 3.13Å; K293-G295 PolarHBondContact O-N 3.11Å; G295-M299 WeakPolarHBondContact O-CG 3.31Å
296L86.5Confident87.1Confident39 Ų3954.9 Ų54.920%0.20429%0.293CS..Hα-helixtrans-70.6-45.8177.2-65172.3000112.2L292 K293 R294 I298 M299 I302 P313L292-L296 HydrophobicContact CD1-CD1 4.17Å; L292-L296 HydrophobicContact CD1-CG 4.21Å; L292-L296 HydrophobicContact CG-CD1 4.14Å; L292-L296 WeakPolarHBondContact O-CG 3.22Å; L292-L296 PolarHBondContact O-N 3.48Å; K293-L296 PolarHBondContact O-N 3.34Å; R294-L296 VanDerWaalsContact C-N 3.3Å; R294-L296 PolarHBondContact O-N 3.07Å; L296-I298 VanDerWaalsContact C-N 3.26Å; L296-I298 PolarHBondContact O-N 2.82Å; L296-M299 WeakPolarHBondContact O-CB 3.29Å; L296-M299 PolarHBondContact O-N 2.97Å; L296-I302 HydrophobicContact CB-CD1 4.44Å; L296-I302 HydrophobicContact CB-CG2 4.3Å; L296-I302 HydrophobicContact CD2-CD1 3.61Å; L296-P313 HydrophobicContact CD1-CB 4.18Å; L296-P313 HydrophobicContact CD1-CG 4.14Å
297D80.7Confident87Confident25 Ų2556.9 Ų56.913%0.13430%0.299CS..Hα-helixtrans-61.7-31.7179.3-73.3-33.2000112.9K293 R294 M299 Y304 C387 Y404K293-D297 WeakPolarHBondContact O-CB 3.22Å; K293-D297 PolarHBondContact O-N 2.81Å; R294-D297 PolarHBondContact O-N 3.06Å; D297-M299 PolarHBondContact O-N 2.97Å; D297-Y304 WeakPolarHBondContact OD1-CE2 3.37Å; D297-Y304 PolarHBondContact OD1-OH 3.27Å; D297-C387 VanDerWaalsContact O-CA 3.32Å; D297-C387 WeakPolarHBondContact O-CA 3.41Å; D297-C387 WeakPolarHBondContact O-CB 3.44Å; D297-Y404 HydrophobicContact CB-CD1 4.44Å; D297-Y404 HydrophobicContact CB-CE1 3.47Å; D297-Y404 VanDerWaalsContact CB-CE1 3.47Å; D297-Y404 WeakPolarHBondContact OD2-CE1 3.19Å; D297-Y404 PolarHBondContact OD2-OH 2.92Å
298I81.6Confident86.6Confident73 Ų7361.7 Ų61.737%0.37433%0.331SS..Hα-helixtrans-71-23177.3-71.8168.1000111.5R294 L296 P300 C405R294-I298 HydrophobicContact CG-CD1 3.76Å; R294-I298 HydrophobicContact CG-CG1 4.39Å; R294-I298 WeakPolarHBondContact O-CB 3.48Å; R294-I298 WeakPolarHBondContact O-CD1 3.22Å; R294-I298 WeakPolarHBondContact O-CG1 3.37Å; R294-I298 PolarHBondContact O-N 2.89Å; L296-I298 VanDerWaalsContact C-N 3.26Å; L296-I298 PolarHBondContact O-N 2.82Å; I298-P300 WeakPolarHBondContact O-CD 3.31Å; I298-C405 HydrophobicContact CG1-CB 3.97Å
299M84.3Confident86.5Confident88 Ų8866.7 Ų66.743%0.43335%0.354SS..  trans-75.9117.5179.1-64.8177.5-17300109.7G295 L296 D297 D301 I302G295-M299 WeakPolarHBondContact O-CG 3.31Å; L296-M299 WeakPolarHBondContact O-CB 3.29Å; L296-M299 PolarHBondContact O-N 2.97Å; D297-M299 PolarHBondContact O-N 2.97Å; M299-D301 PolarHBondContact O-N 3.21Å; M299-I302 HydrophobicContact CB-CB 4.12Å; M299-I302 HydrophobicContact CB-CD1 3.8Å; M299-I302 HydrophobicContact CB-CG1 3.75Å; M299-I302 HydrophobicContact CG-CD1 4.16Å; M299-I302 PolarHBondContact O-N 3.42Å; M299-I302 VanDerWaalsContact O-N 3.08Å; M299-I302 HydrophobicContact SD-CD1 3.34Å; M299-I302 WeakPolarHBondContact SD-CD1 3.29Å; M299-I302 HydrophobicContact SD-CG1 4.27Å
300P78.1Confident86.5Confident80 Ų8063.8 Ų63.852%0.51933%0.334SS..THydrogen-bonded Turntrans-67.9-21.9-173.727.7-35.2000113.2I298 I302 G386I298-P300 WeakPolarHBondContact O-CD 3.31Å; P300-I302 VanDerWaalsContact C-N 3.33Å; P300-G386 WeakPolarHBondContact CA-O 3.48Å
301D86.7Confident86.3Confident73 Ų7367.9 Ų67.939%0.3935%0.352SS..THydrogen-bonded Turntrans-87.64.2176.963.8-42.6000113.2M299 I315 L316M299-D301 PolarHBondContact O-N 3.21Å; D301-I315 CarbonylContact O-C 3.47Å; D301-I315 WeakPolarHBondContact O-CA 3.42Å; D301-L316 WeakPolarHBondContact O-CG 3.42Å; D301-L316 PolarHBondContact O-N 3.47Å
302I88.2Confident86.4Confident15 Ų1569.1 Ų69.18%0.07735%0.353CS..EExtended strand (participates in β ladder)trans-111.4126.3177.3-60.3-171.3000110.6L296 M299 P300 P313 V314 I315L296-I302 HydrophobicContact CB-CD1 4.44Å; L296-I302 HydrophobicContact CB-CG2 4.3Å; L296-I302 HydrophobicContact CD2-CD1 3.61Å; M299-I302 HydrophobicContact CB-CB 4.12Å; M299-I302 HydrophobicContact CB-CD1 3.8Å; M299-I302 HydrophobicContact CB-CG1 3.75Å; M299-I302 HydrophobicContact CG-CD1 4.16Å; M299-I302 PolarHBondContact O-N 3.42Å; M299-I302 VanDerWaalsContact O-N 3.08Å; M299-I302 HydrophobicContact SD-CD1 3.34Å; M299-I302 WeakPolarHBondContact SD-CD1 3.29Å; M299-I302 HydrophobicContact SD-CG1 4.27Å; P300-I302 VanDerWaalsContact C-N 3.33Å; I302-P313 HydrophobicContact CG2-CB 3.99Å; I302-V314 WeakPolarHBondContact CA-O 3.48Å; I302-I315 HydrophobicContact CG1-CG1 4.44Å
303V86.9Confident86.5Confident16 Ų1665.9 Ų65.910%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-135.8143.9175.4-178.60000109.9V314 L316 F331 P333 L336V303-V314 PolarHBondContact N-O 2.93Å; V303-V314 WeakPolarHBondContact O-CA 3.27Å; V303-V314 VanDerWaalsContact O-CB 3.31Å; V303-V314 WeakPolarHBondContact O-CB 3.49Å; V303-V314 PolarHBondContact O-N 3.1Å; V303-L316 HydrophobicContact CB-CD2 4.2Å; V303-L316 HydrophobicContact CG2-CD1 3.91Å; V303-L316 HydrophobicContact CG2-CD2 4.06Å; V303-L316 HydrophobicContact CG2-CG 4.17Å; V303-F331 HydrophobicContact CB-CE2 4.43Å; V303-F331 HydrophobicContact CG1-CE2 3.95Å; V303-F331 HydrophobicContact CG1-CZ 4.49Å; V303-P333 HydrophobicContact CB-CB 4.32Å; V303-P333 HydrophobicContact CG1-CB 4.28Å; V303-P333 HydrophobicContact CG2-CB 3.81Å; V303-L336 HydrophobicContact CG1-CD2 3.97Å
304Y88.9Confident86.9Confident65 Ų6560.6 Ų60.626%0.25532%0.316SS..EExtended strand (participates in β ladder)trans-78.1138.2179.5-67.2-98.7000111.2D297 E311 P313D297-Y304 WeakPolarHBondContact OD1-CE2 3.37Å; D297-Y304 PolarHBondContact OD1-OH 3.27Å; Y304-E311 WeakPolarHBondContact CD1-O 3.43Å; Y304-P313 HydrophobicContact CE1-CB 4.19Å
305C90.6Very high87.4Confident3 Ų365 Ų652%0.0234%0.34CS..  trans-57.1126.3176.3-1800000110.2R307 C310 F312 V314 C324C305-R307 PolarHBondContact O-N 2.88Å; C305-C310 HydrophobicContact CB-CB 4.29Å; C305-F312 WeakPolarHBondContact CB-O 3.48Å; C305-F312 PolarHBondContact N-O 3.29Å; C305-V314 HydrophobicContact CB-CG2 4.17Å; C305-C324 HydrophobicContact CB-CB 4.19Å
306P89.1Confident87.6Confident41 Ų4164.6 Ų64.627%0.26633%0.33SS..SBendtrans-74.3-0.1-172.330.9-38000114.1P308 L329 F331 L336P306-P308 WeakPolarHBondContact O-CD 3.32Å; P306-L329 HydrophobicContact CG-CD2 3.88Å; P306-F331 HydrophobicContact CG-CB 3.95Å; P306-F331 HydrophobicContact CG-CD1 4.35Å; P306-F331 HydrophobicContact CG-CD2 3.91Å; P306-F331 HydrophobicContact CG-CG 3.82Å; P306-L336 HydrophobicContact CB-CB 3.96Å; P306-L336 WeakPolarHBondContact CB-O 3.42Å; P306-L336 WeakPolarHBondContact CG-O 3.32Å
307R89.2Confident87.8Confident130 Ų13067.2 Ų67.249%0.49134%0.344SS..  trans-75.6122.3172.9-72.1-172.9-176.6-116.44.9109.2C305 Q309 C310 E311 L329C305-R307 PolarHBondContact O-N 2.88Å; R307-Q309 PolarHBondContact O-N 3.34Å; R307-Q309 VanDerWaalsContact O-N 3.08Å; R307-C310 HydrophobicContact CB-CB 3.8Å; R307-C310 PolarHBondContact O-N 2.95Å; R307-E311 PolarHBondContact O-N 3.36Å; R307-E311 VanDerWaalsContact O-N 3.14Å; R307-L329 HydrophobicContact CG-CD2 3.73Å
308P86.3Confident88.2Confident111 Ų11168.7 Ų68.772%0.72136%0.356SS*.THydrogen-bonded Turntrans-57.5-27.6-178.4-2835.5000115P306P306-P308 WeakPolarHBondContact O-CD 3.32Å
309Q88.7Confident88.1Confident193 Ų19372.7 Ų72.790%0.90237%0.374SS*.THydrogen-bonded Turntrans-91.1-2.1177.8-55.8-150.619.700113.8R307R307-Q309 PolarHBondContact O-N 3.34Å; R307-Q309 VanDerWaalsContact O-N 3.08Å
310C90.6Very high88.2Confident14 Ų1471.4 Ų71.410%0.09537%0.368CS..THydrogen-bonded Turntrans-107-63.2-178.4-171.20000111.4C305 R307 F312 C324 K326 C327C305-C310 HydrophobicContact CB-CB 4.29Å; R307-C310 HydrophobicContact CB-CB 3.8Å; R307-C310 PolarHBondContact O-N 2.95Å; C310-F312 PolarHBondContact O-N 3.33Å; C310-C324 VanDerWaalsContact SG-SG 3.62Å; C310-K326 PolarHBondContact O-NZ 3.1Å; C310-C327 VanDerWaalsContact SG-SG 3.69Å
311E86Confident88.8Confident128 Ų12868.3 Ų68.360%0.59835%0.347SS*.  trans42.830-178-60-173.7161.900114.3Y304 R307Y304-E311 WeakPolarHBondContact CD1-O 3.43Å; R307-E311 PolarHBondContact O-N 3.36Å; R307-E311 VanDerWaalsContact O-N 3.14Å
312F90.2Very high89.1Confident79 Ų7964.8 Ų64.835%0.34633%0.329SS..  trans-76136.9-179.1-170.2-93.4000109.8C305 C310 V314 P325 K326C305-F312 WeakPolarHBondContact CB-O 3.48Å; C305-F312 PolarHBondContact N-O 3.29Å; C310-F312 PolarHBondContact O-N 3.33Å; F312-V314 WeakPolarHBondContact O-CG2 3.42Å; F312-V314 PolarHBondContact O-N 2.8Å; F312-P325 HydrophobicContact CD1-CG 3.94Å; F312-P325 HydrophobicContact CE1-CG 3.54Å; F312-P325 HydrophobicContact CZ-CG 4.43Å; F312-K326 HydrophobicContact CB-CB 4.11Å; F312-K326 HydrophobicContact CB-CD 3.96Å; F312-K326 HydrophobicContact CD1-CB 4.4Å; F312-K326 HydrophobicContact CD2-CB 4.16Å; F312-K326 HydrophobicContact CD2-CD 3.76Å; F312-K326 HydrophobicContact CG-CB 3.95Å; F312-K326 HydrophobicContact CG-CD 4.1Å
313P91.3Very high89.4Confident41 Ų4171.1 Ų71.127%0.26635%0.351SS..EExtended strand (participates in β ladder)trans-66.2126174.427.2-33.8000110.4L296 I302 Y304L296-P313 HydrophobicContact CD1-CB 4.18Å; L296-P313 HydrophobicContact CD1-CG 4.14Å; I302-P313 HydrophobicContact CG2-CB 3.99Å; Y304-P313 HydrophobicContact CE1-CB 4.19Å
314V92.9Very high89.8Confident1 Ų170.5 Ų70.51%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-116.9126.1-175.5179.80000109.6I302 V303 C305 F312 R323 C324 F331I302-V314 WeakPolarHBondContact CA-O 3.48Å; V303-V314 PolarHBondContact N-O 2.93Å; V303-V314 WeakPolarHBondContact O-CA 3.27Å; V303-V314 VanDerWaalsContact O-CB 3.31Å; V303-V314 WeakPolarHBondContact O-CB 3.49Å; V303-V314 PolarHBondContact O-N 3.1Å; C305-V314 HydrophobicContact CB-CG2 4.17Å; F312-V314 WeakPolarHBondContact O-CG2 3.42Å; F312-V314 PolarHBondContact O-N 2.8Å; V314-R323 VanDerWaalsContact CG1-O 3.26Å; V314-R323 WeakPolarHBondContact CG1-O 3.33Å; V314-C324 HydrophobicContact CG2-CB 3.83Å; V314-F331 HydrophobicContact CB-CE1 4.23Å; V314-F331 HydrophobicContact CB-CZ 4.06Å; V314-F331 HydrophobicContact CG1-CE1 4.16Å; V314-F331 HydrophobicContact CG1-CZ 4.28Å; V314-F331 HydrophobicContact CG2-CE1 4Å; V314-F331 HydrophobicContact CG2-CZ 4.14Å
315I92.9Very high90.1Very high116 Ų11672 Ų7260%0.59537%0.365SS*.EExtended strand (participates in β ladder)trans-74.2130.2167.9-57.2170.4000107.9D301 I302D301-I315 CarbonylContact O-C 3.47Å; D301-I315 WeakPolarHBondContact O-CA 3.42Å; I302-I315 HydrophobicContact CG1-CG1 4.44Å
316L90.8Very high90.2Very high25 Ų2578 Ų7813%0.13139%0.391CS..EExtended strand (participates in β ladder)trans-75.1130.4-179.5-63-177.3000111.1D301 V303 S318 P333D301-L316 WeakPolarHBondContact O-CG 3.42Å; D301-L316 PolarHBondContact O-N 3.47Å; V303-L316 HydrophobicContact CB-CD2 4.2Å; V303-L316 HydrophobicContact CG2-CD1 3.91Å; V303-L316 HydrophobicContact CG2-CD2 4.06Å; V303-L316 HydrophobicContact CG2-CG 4.17Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-P333 HydrophobicContact CD1-CB 3.92Å; L316-P333 HydrophobicContact CD1-CG 3.9Å; L316-P333 HydrophobicContact CD2-CB 3.74Å; L316-P333 HydrophobicContact CD2-CG 3.89Å; L316-P333 HydrophobicContact CG-CB 4.5Å
317D90.3Very high90.5Very high94 Ų9478.1 Ų78.150%0.50339%0.392SS..EExtended strand (participates in β ladder)trans-70.2-30170.9-72.7-16.7000110.5L321 R323D317-L321 HydrophobicContact CB-CD2 4.21Å; D317-L321 HydrophobicContact CB-CG 4.3Å; D317-L321 PolarHBondContact N-O 3.42Å; D317-R323 WeakPolarHBondContact OD2-CD 3.29Å; D317-R323 WeakPolarHBondContact OD2-CG 3.17Å; D317-R323 IonicContact OD2-CZ 3.42Å; D317-R323 IonicContact OD2-NE 2.69Å; D317-R323 PolarHBondContact OD2-NE 2.92Å; D317-R323 IonicContact OD2-NH1 3.83Å; D317-R323 PolarHBondContact OD2-NH1 3.39Å
318S87.6Confident90.7Very high57 Ų5780.3 Ų80.340%0.39941%0.408SS..EExtended strand (participates in β ladder)trans-159.6169.1174.365.50000110.1L316 N320 L321L316-S318 VanDerWaalsContact C-N 3.26Å; S318-N320 PolarHBondContact O-N 3.21Å; S318-L321 PolarHBondContact N-O 3.46Å; S318-L321 PolarHBondContact O-N 3.22Å; S318-L321 WeakPolarHBondContact OG-CB 3.44Å; S318-L321 PolarHBondContact OG-N 3.32Å
319E81.4Confident91.1Very high157 Ų15776.3 Ų76.373%0.73438%0.381SS*.THydrogen-bonded Turntrans-50.8-22178.5-63.6179.9-177.600114.8P333E319-P333 WeakPolarHBondContact O-CG 3.22Å
320N84.9Confident91.4Very high60 Ų6069.3 Ų69.332%0.32135%0.353SS..THydrogen-bonded Turntrans-118.44.2-176.8-59.2-47.6000114.3S318 P333 Y339S318-N320 PolarHBondContact O-N 3.21Å; N320-P333 WeakPolarHBondContact O-CD 3.1Å; N320-Y339 WeakPolarHBondContact O-CD2 3.44Å; N320-Y339 WeakPolarHBondContact O-CE2 3.2Å
321L91Very high91.5Very high15 Ų1568.6 Ų68.68%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-139.6118.6-175.7176.162.9000112D317 S318 R323 Y339D317-L321 HydrophobicContact CB-CD2 4.21Å; D317-L321 HydrophobicContact CB-CG 4.3Å; D317-L321 PolarHBondContact N-O 3.42Å; S318-L321 PolarHBondContact N-O 3.46Å; S318-L321 PolarHBondContact O-N 3.22Å; S318-L321 WeakPolarHBondContact OG-CB 3.44Å; S318-L321 PolarHBondContact OG-N 3.32Å; L321-R323 HydrophobicContact CD1-CG 4.3Å; L321-R323 HydrophobicContact CG-CG 4.46Å; L321-Y339 HydrophobicContact CB-CD2 4.14Å; L321-Y339 HydrophobicContact CB-CE2 3.83Å; L321-Y339 HydrophobicContact CD1-CD1 3.98Å; L321-Y339 HydrophobicContact CD1-CD2 3.59Å; L321-Y339 HydrophobicContact CD1-CE1 4.26Å; L321-Y339 HydrophobicContact CD1-CE2 3.92Å; L321-Y339 HydrophobicContact CD1-CG 3.61Å; L321-Y339 HydrophobicContact CG-CD2 4.41Å; L321-Y339 HydrophobicContact CG-CE2 4.32Å
322G92.8Very high91.7Very high0 Ų062.5 Ų62.50%032%0.32CS..EExtended strand (participates in β ladder)trans-113.6137.1164.300000111S330 F331G322-S330 WeakPolarHBondContact O-CA 3.41Å; G322-F331 PolarHBondContact N-O 3.44Å; G322-F331 WeakPolarHBondContact O-CD1 3.19Å; G322-F331 PolarHBondContact O-N 2.99Å
323R95.2Very high91.5Very high147 Ų14759.1 Ų59.156%0.55531%0.306SS*.EExtended strand (participates in β ladder)trans-117.1111.1173.4-67.4-174.9179152.4-2.5110V314 D317 L321 P325V314-R323 VanDerWaalsContact CG1-O 3.26Å; V314-R323 WeakPolarHBondContact CG1-O 3.33Å; D317-R323 WeakPolarHBondContact OD2-CD 3.29Å; D317-R323 WeakPolarHBondContact OD2-CG 3.17Å; D317-R323 IonicContact OD2-CZ 3.42Å; D317-R323 IonicContact OD2-NE 2.69Å; D317-R323 PolarHBondContact OD2-NE 2.92Å; D317-R323 IonicContact OD2-NH1 3.83Å; D317-R323 PolarHBondContact OD2-NH1 3.39Å; L321-R323 HydrophobicContact CD1-CG 4.3Å; L321-R323 HydrophobicContact CG-CG 4.46Å; R323-P325 VanDerWaalsContact O-CD 3.32Å; R323-P325 WeakPolarHBondContact O-CD 3.44Å
324C95.1Very high91.1Very high3 Ų359.3 Ų59.32%0.0230%0.303CS..  trans-72.2119.4-179-174.60000111.1C305 C310 V314 K326 E328 L329C305-C324 HydrophobicContact CB-CB 4.19Å; C310-C324 VanDerWaalsContact SG-SG 3.62Å; V314-C324 HydrophobicContact CG2-CB 3.83Å; C324-K326 VanDerWaalsContact C-N 3.25Å; C324-K326 PolarHBondContact O-N 3.37Å; C324-E328 WeakPolarHBondContact O-CA 3.46Å; C324-E328 PolarHBondContact O-N 3.41Å; C324-L329 PolarHBondContact N-O 3.18Å
325P94.1Very high90.6Very high96 Ų9660.1 Ų60.162%0.62331%0.309SS*.THydrogen-bonded Turntrans-72.8-18.7179.430.2-35.7000112.9F312 R323F312-P325 HydrophobicContact CD1-CG 3.94Å; F312-P325 HydrophobicContact CE1-CG 3.54Å; F312-P325 HydrophobicContact CZ-CG 4.43Å; R323-P325 VanDerWaalsContact O-CD 3.32Å; R323-P325 WeakPolarHBondContact O-CD 3.44Å
326K94.4Very high90.2Very high130 Ų13059 Ų5957%0.56530%0.304SS*.THydrogen-bonded Turntrans-82.7-36.5-178.9-177.5177.6171.7-169.30113.4C310 F312 C324C310-K326 PolarHBondContact O-NZ 3.1Å; F312-K326 HydrophobicContact CB-CB 4.11Å; F312-K326 HydrophobicContact CB-CD 3.96Å; F312-K326 HydrophobicContact CD1-CB 4.4Å; F312-K326 HydrophobicContact CD2-CB 4.16Å; F312-K326 HydrophobicContact CD2-CD 3.76Å; F312-K326 HydrophobicContact CG-CB 3.95Å; F312-K326 HydrophobicContact CG-CD 4.1Å; C324-K326 VanDerWaalsContact C-N 3.25Å; C324-K326 PolarHBondContact O-N 3.37Å
327C95.1Very high90Very high43 Ų4364 Ų6429%0.29132%0.324SS..THydrogen-bonded Turntrans-130.77.6-17571.90000114.4C310 L329C310-C327 VanDerWaalsContact SG-SG 3.69Å; C327-L329 PolarHBondContact O-N 3.03Å
328E93.6Very high89.9Confident176 Ų17664.2 Ų64.282%0.82233%0.33SS*.  trans60.411.5176.1-56178.7172.800115.1C324 S330C324-E328 WeakPolarHBondContact O-CA 3.46Å; C324-E328 PolarHBondContact O-N 3.41Å; E328-S330 PolarHBondContact O-N 3.43Å
329L93.9Very high90Very high28 Ų2866.4 Ų66.415%0.14733%0.33CS..  trans-68.7124.1175.6179.265.8000110.6P306 R307 C324 C327 F331 T338P306-L329 HydrophobicContact CG-CD2 3.88Å; R307-L329 HydrophobicContact CG-CD2 3.73Å; C324-L329 PolarHBondContact N-O 3.18Å; C327-L329 PolarHBondContact O-N 3.03Å; L329-F331 HydrophobicContact CD2-CB 4.37Å; L329-F331 HydrophobicContact CG-CB 4.35Å; L329-F331 HydrophobicContact CG-CD1 4.43Å; L329-T338 HydrophobicContact CD1-CG2 4.4Å
330S94.6Very high90.2Very high45 Ų4561 Ų6132%0.31530%0.304SS..EExtended strand (participates in β ladder)trans-92.2123.2164.4-60.70000110.2G322 E328 Y339G322-S330 WeakPolarHBondContact O-CA 3.41Å; E328-S330 PolarHBondContact O-N 3.43Å; S330-Y339 PolarHBondContact O-N 2.85Å; S330-Y339 VanDerWaalsContact O-N 3.13Å
331F93.5Very high90.2Very high0 Ų059.7 Ų59.70%031%0.305CS..EExtended strand (participates in β ladder)trans-137.6159.5-17566.3-81.9000111.9V303 P306 V314 G322 L329 K337V303-F331 HydrophobicContact CB-CE2 4.43Å; V303-F331 HydrophobicContact CG1-CE2 3.95Å; V303-F331 HydrophobicContact CG1-CZ 4.49Å; P306-F331 HydrophobicContact CG-CB 3.95Å; P306-F331 HydrophobicContact CG-CD1 4.35Å; P306-F331 HydrophobicContact CG-CD2 3.91Å; P306-F331 HydrophobicContact CG-CG 3.82Å; V314-F331 HydrophobicContact CB-CE1 4.23Å; V314-F331 HydrophobicContact CB-CZ 4.06Å; V314-F331 HydrophobicContact CG1-CE1 4.16Å; V314-F331 HydrophobicContact CG1-CZ 4.28Å; V314-F331 HydrophobicContact CG2-CE1 4Å; V314-F331 HydrophobicContact CG2-CZ 4.14Å; G322-F331 PolarHBondContact N-O 3.44Å; G322-F331 WeakPolarHBondContact O-CD1 3.19Å; G322-F331 PolarHBondContact O-N 2.99Å; L329-F331 HydrophobicContact CD2-CB 4.37Å; L329-F331 HydrophobicContact CG-CB 4.35Å; L329-F331 HydrophobicContact CG-CD1 4.43Å; F331-K337 CarbonylContact C-O 3.56Å; F331-K337 VanDerWaalsContact CA-O 3.3Å; F331-K337 WeakPolarHBondContact CA-O 3.49Å; F331-K337 VanDerWaalsContact CB-O 3.3Å; F331-K337 WeakPolarHBondContact CB-O 3.45Å
332C90.6Very high89.7Confident0 Ų066.1 Ų66.10%035%0.345CS..  trans-86.7123.5169.4179.80000109.2M334 L336 K337 H340C332-M334 PolarHBondContact O-N 2.59Å; C332-M334 PolarHBondContact SG-N 2.86Å; C332-L336 VanDerWaalsContact O-CA 3.3Å; C332-L336 WeakPolarHBondContact O-CA 3.38Å; C332-L336 PolarHBondContact O-N 3.39Å; C332-K337 PolarHBondContact N-O 2.9Å; C332-H340 VanDerWaalsContact CB-NE2 3.33Å; C332-H340 WeakPolarHBondContact CB-NE2 3.41Å; C332-H340 PolarHBondContact SG-NE2 3.45Å
333P85.5Confident89.1Confident8 Ų871.3 Ų71.35%0.05237%0.373CS..THydrogen-bonded Turntrans-64.8-26.3178.826.6-34000112.9V303 L316 E319 N320 L336V303-P333 HydrophobicContact CB-CB 4.32Å; V303-P333 HydrophobicContact CG1-CB 4.28Å; V303-P333 HydrophobicContact CG2-CB 3.81Å; L316-P333 HydrophobicContact CD1-CB 3.92Å; L316-P333 HydrophobicContact CD1-CG 3.9Å; L316-P333 HydrophobicContact CD2-CB 3.74Å; L316-P333 HydrophobicContact CD2-CG 3.89Å; L316-P333 HydrophobicContact CG-CB 4.5Å; E319-P333 WeakPolarHBondContact O-CG 3.22Å; N320-P333 WeakPolarHBondContact O-CD 3.1Å; P333-L336 WeakPolarHBondContact O-CD2 3.25Å
334M82.3Confident88.1Confident44 Ų4468.5 Ų68.522%0.21737%0.373CS..THydrogen-bonded Turntrans-70.8-50.5-178.4-59.2-61.4-61.700112C332 I347 W388C332-M334 PolarHBondContact O-N 2.59Å; C332-M334 PolarHBondContact SG-N 2.86Å; M334-I347 VanDerWaalsContact O-CD1 3.25Å; M334-I347 WeakPolarHBondContact O-CD1 3.35Å; M334-W388 HydrophobicContact CE-CH2 3.94Å; M334-W388 HydrophobicContact CE-CZ3 3.91Å; M334-W388 HydrophobicContact SD-CH2 3.47Å; M334-W388 WeakPolarHBondContact SD-CH2 3.42Å; M334-W388 HydrophobicContact SD-CZ2 4.31Å; M334-W388 HydrophobicContact SD-CZ3 3.89Å
335C82.6Confident87.2Confident19 Ų1968.7 Ų68.713%0.12838%0.375CS..THydrogen-bonded Turntrans-102.9-2.6-17668.60000114.9K337 C345 I347C335-K337 PolarHBondContact O-N 3.45Å; C335-C345 VanDerWaalsContact CB-SG 3.59Å; C335-I347 HydrophobicContact CB-CD1 3.76Å; C335-I347 HydrophobicContact CB-CG1 4Å
336L84.8Confident86Confident91 Ų9171.8 Ų71.848%0.47638%0.378SS..SBendtrans5617.1-178.4-58.1-179.4000113.8V303 P306 C332 P333V303-L336 HydrophobicContact CG1-CD2 3.97Å; P306-L336 HydrophobicContact CB-CB 3.96Å; P306-L336 WeakPolarHBondContact CB-O 3.42Å; P306-L336 WeakPolarHBondContact CG-O 3.32Å; C332-L336 VanDerWaalsContact O-CA 3.3Å; C332-L336 WeakPolarHBondContact O-CA 3.38Å; C332-L336 PolarHBondContact O-N 3.39Å; P333-L336 WeakPolarHBondContact O-CD2 3.25Å
337K87.2Confident84.4Confident130 Ų13070 Ų7057%0.56537%0.374SS*.SBendtrans-100.1173.9173.7-63.7-178-176.7-178.40110.4F331 C332 C335F331-K337 CarbonylContact C-O 3.56Å; F331-K337 VanDerWaalsContact CA-O 3.3Å; F331-K337 WeakPolarHBondContact CA-O 3.49Å; F331-K337 VanDerWaalsContact CB-O 3.3Å; F331-K337 WeakPolarHBondContact CB-O 3.45Å; C332-K337 PolarHBondContact N-O 2.9Å; C335-K337 PolarHBondContact O-N 3.45Å
338T88.6Confident81.9Confident100 Ų10074.1 Ų74.161%0.61339%0.387SS*.BIsolated β-bridgetrans-51.8145.7175.548.50000111.6L329 H340L329-T338 HydrophobicContact CD1-CG2 4.4Å; T338-H340 PolarHBondContact O-N 3.38Å
339Y89.4Confident79.3Confident102 Ų10269.5 Ų69.540%0.437%0.367SS..PPolyproline II helixtrans-58.2128.5-179.6178-119000110.9N320 L321 S330N320-Y339 WeakPolarHBondContact O-CD2 3.44Å; N320-Y339 WeakPolarHBondContact O-CE2 3.2Å; L321-Y339 HydrophobicContact CB-CD2 4.14Å; L321-Y339 HydrophobicContact CB-CE2 3.83Å; L321-Y339 HydrophobicContact CD1-CD1 3.98Å; L321-Y339 HydrophobicContact CD1-CD2 3.59Å; L321-Y339 HydrophobicContact CD1-CE1 4.26Å; L321-Y339 HydrophobicContact CD1-CE2 3.92Å; L321-Y339 HydrophobicContact CD1-CG 3.61Å; L321-Y339 HydrophobicContact CG-CD2 4.41Å; L321-Y339 HydrophobicContact CG-CE2 4.32Å; S330-Y339 PolarHBondContact O-N 2.85Å; S330-Y339 VanDerWaalsContact O-N 3.13Å
340H85.1Confident76.5Confident43 Ų4372.9 Ų72.920%0.19938%0.382CS..  trans-106.67.7-173.64772.4000113.6C332 T338 V342 N343C332-H340 VanDerWaalsContact CB-NE2 3.33Å; C332-H340 WeakPolarHBondContact CB-NE2 3.41Å; C332-H340 PolarHBondContact SG-NE2 3.45Å; T338-H340 PolarHBondContact O-N 3.38Å; H340-V342 PolarHBondContact O-N 3.14Å; H340-N343 HydrophobicContact CB-CB 4.29Å; H340-N343 PolarHBondContact ND1-O 3.4Å; H340-N343 VanDerWaalsContact O-CB 3.31Å; H340-N343 WeakPolarHBondContact O-CB 3.37Å; H340-N343 PolarHBondContact O-N 2.9Å
341G84.8Confident73.6Confident33 Ų3375.6 Ų75.634%0.3440%0.398SS..THydrogen-bonded Turntrans60.4-127.817600000112.2N343G341-N343 VanDerWaalsContact C-N 3.29Å
342V80.4Confident70.5Confident150 Ų15084.6 Ų84.691%0.90944%0.437SS*.THydrogen-bonded Turntrans-78.6-10.4177.8-62.90000113.7H340H340-V342 PolarHBondContact O-N 3.14Å
343N79.9Confident67.5Low110 Ų11087.8 Ų87.859%0.58847%0.469SS*.SBendtrans-67.6138.7177.9-66.1-33.8000109.6H340 G341 C345H340-N343 HydrophobicContact CB-CB 4.29Å; H340-N343 PolarHBondContact ND1-O 3.4Å; H340-N343 VanDerWaalsContact O-CB 3.31Å; H340-N343 WeakPolarHBondContact O-CB 3.37Å; H340-N343 PolarHBondContact O-N 2.9Å; G341-N343 VanDerWaalsContact C-N 3.29Å; N343-C345 PolarHBondContact O-N 2.83Å
344P75.8Confident64.7Low87 Ų8794.6 Ų94.657%0.56551%0.511SS*.PPolyproline II helixtrans-62.3136.9-178.325.8-34.5000111K346 L349P344-K346 PolarHBondContact O-N 3.03Å; P344-L349 HydrophobicContact CB-CD1 3.67Å; P344-L349 HydrophobicContact CB-CG 4.22Å; P344-L349 HydrophobicContact CG-CD1 3.64Å
345C74.9Confident62.2Low8 Ų8100.4 Ų100.45%0.05454%0.541CS..PPolyproline II helixtrans-64.2125.7176.1-169.30000109.5C335 N343 I347 K348C335-C345 VanDerWaalsContact CB-SG 3.59Å; N343-C345 PolarHBondContact O-N 2.83Å; C345-I347 PolarHBondContact O-N 3.47Å; C345-K348 PolarHBondContact O-N 3.31Å
346K69.1Low59.9Low160 Ų160104.8 Ų104.870%0.69657%0.573SS**G310 helixtrans-56.7-26.5-177.8-70.2-173.7175.1-172.60113.6P344 L349P344-K346 PolarHBondContact O-N 3.03Å; K346-L349 PolarHBondContact O-N 2.84Å
347I60Low57.6Low94 Ų94109 Ų10948%0.48259%0.589SS.*G310 helixtrans-70.9-34.6174.8-69.4-177.1000112.5M334 C335 C345 L349M334-I347 VanDerWaalsContact O-CD1 3.25Å; M334-I347 WeakPolarHBondContact O-CD1 3.35Å; C335-I347 HydrophobicContact CB-CD1 3.76Å; C335-I347 HydrophobicContact CB-CG1 4Å; C345-I347 PolarHBondContact O-N 3.47Å; I347-L349 PolarHBondContact O-N 3.06Å
348K44.1Very low55.2Low129 Ų129111.1 Ų111.156%0.56160%0.602SS**G310 helixtrans-72.1-10.9174.8-75.7-172.5176177.40112.9C345C345-K348 PolarHBondContact O-N 3.31Å
349L37.7Very low52.8Low78 Ų78113 Ų11341%0.40861%0.608SS.*G310 helixtrans-101.8-2.9-175.4-77.5167.2000114.8P344 K346 I347 T351 F352P344-L349 HydrophobicContact CB-CD1 3.67Å; P344-L349 HydrophobicContact CB-CG 4.22Å; P344-L349 HydrophobicContact CG-CD1 3.64Å; K346-L349 PolarHBondContact O-N 2.84Å; I347-L349 PolarHBondContact O-N 3.06Å; L349-T351 CarbonylContact O-C 3.3Å; L349-T351 VanDerWaalsContact O-C 3.3Å; L349-T351 PolarHBondContact O-N 3.2Å; L349-F352 CarbonylContact O-C 3.58Å
350Q36.8Very low50.6Low99 Ų99113.8 Ų113.846%0.46362%0.619SS.*SBendtrans-74.90.4175.3-77.3-176-9.200113.9
351T33.4Very low49.1Very low103 Ų103119.8 Ų119.863%0.63265%0.647SS**SBendtrans-97.4107.3145.542.80000108.2L349L349-T351 CarbonylContact O-C 3.3Å; L349-T351 VanDerWaalsContact O-C 3.3Å; L349-T351 PolarHBondContact O-N 3.2Å
352F27.7Very low47.5Very low189 Ų189124.1 Ų124.183%0.82966%0.662SS**SBendtrans79103.2172.8-49.8-82.1000117.2L349L349-F352 CarbonylContact O-C 3.58Å
353G27.7Very low46.1Very low66 Ų66121.5 Ų121.568%0.6864%0.642SS**  trans168.797.8161.100000116.3
354T27.4Very low44.8Very low152 Ų152120 Ų12093%0.93363%0.633SS**  trans-49.2131.9165.817.20000113.4
355I29.5Very low43.9Very low165 Ų165121.6 Ų121.685%0.84663%0.633SS**  trans-113.9131.8169.8-62.1177.7000109.7
356S34.1Very low43Very low112 Ų112128.1 Ų128.178%0.78366%0.657SS**  trans-73.7151.5-175.953.50000113.4
357Q35.5Very low42.4Very low178 Ų178124.8 Ų124.883%0.83265%0.646SS**  trans-73.4140.8180-64.3165.4-2600110.8
358E36.9Very low42.6Very low176 Ų176126.3 Ų126.382%0.82265%0.649SS**  trans141.984.2150.7-77168.8-169.700110.4
359D39.4Very low43.5Very low138 Ų138124.9 Ų124.974%0.73864%0.644SS**SBend160.8129125.4-82.3-23000112.9
360N42.4Very low44.7Very low119 Ų119126 Ų12664%0.63665%0.648SS**  trans60.698.3172.7-80.8-42.8000119.2L362 I363 L364N360-L362 PolarHBondContact O-N 3.13Å; N360-I363 HydrophobicContact CB-CD1 4.25Å; N360-I363 HydrophobicContact CB-CG1 4.46Å; N360-I363 PolarHBondContact O-N 3.22Å; N360-L364 PolarHBondContact O-N 3.08Å; N360-L364 VanDerWaalsContact O-N 3.16Å
361E53.6Low46.1Very low170 Ų170125.2 Ų125.279%0.79464%0.644SS**Hα-helixtrans-47.5-33.9176.5-76.8174.9142.200115.3I363 L364 Q365E361-I363 VanDerWaalsContact C-N 3.33Å; E361-I363 PolarHBondContact O-N 2.94Å; E361-L364 PolarHBondContact O-N 3.45Å; E361-Q365 PolarHBondContact O-N 3.49Å
362L51.6Low47.5Very low124 Ų124126.1 Ų126.165%0.64964%0.641SS**Hα-helixtrans-75.8-22.5-177.7-129.3147000113.3N360N360-L362 PolarHBondContact O-N 3.13Å
363I50.2Low49.2Very low94 Ų94120.1 Ų120.148%0.48262%0.622SS.*Hα-helixtrans-84.9-42.4170.7-62175.1000108.7N360 E361 Q365 R366 L367N360-I363 HydrophobicContact CB-CD1 4.25Å; N360-I363 HydrophobicContact CB-CG1 4.46Å; N360-I363 PolarHBondContact O-N 3.22Å; E361-I363 VanDerWaalsContact C-N 3.33Å; E361-I363 PolarHBondContact O-N 2.94Å; I363-Q365 VanDerWaalsContact C-N 3.34Å; I363-Q365 PolarHBondContact O-N 3.2Å; I363-R366 PolarHBondContact O-N 3.39Å; I363-L367 HydrophobicContact CG2-CD1 3.74Å; I363-L367 HydrophobicContact CG2-CG 4.08Å; I363-L367 WeakPolarHBondContact O-CB 3.32Å; I363-L367 VanDerWaalsContact O-CG 3.25Å; I363-L367 WeakPolarHBondContact O-CG 3.49Å; I363-L367 PolarHBondContact O-N 2.87Å
364L53Low50.9Low79 Ų79121.7 Ų121.741%0.41461%0.612SS.*Hα-helixtrans-59.7-39.2177.4-79.1163.1000113.4N360 E361 L367 K368N360-L364 PolarHBondContact O-N 3.08Å; N360-L364 VanDerWaalsContact O-N 3.16Å; E361-L364 PolarHBondContact O-N 3.45Å; L364-L367 PolarHBondContact O-N 2.77Å; L364-K368 WeakPolarHBondContact O-CB 3.43Å; L364-K368 WeakPolarHBondContact O-CG 3.37Å; L364-K368 PolarHBondContact O-N 2.96Å
365Q56.9Low52.6Low121 Ų121118.5 Ų118.557%0.56559%0.585SS**Hα-helixtrans-68.1-43.3178.4-170.1172.7-4.600111.6E361 I363 L367 K368 E369E361-Q365 PolarHBondContact O-N 3.49Å; I363-Q365 VanDerWaalsContact C-N 3.34Å; I363-Q365 PolarHBondContact O-N 3.2Å; Q365-L367 PolarHBondContact O-N 2.8Å; Q365-K368 PolarHBondContact O-N 3.35Å; Q365-E369 PolarHBondContact NE2-OE1 3.29Å; Q365-E369 WeakPolarHBondContact O-CB 3.44Å; Q365-E369 WeakPolarHBondContact O-CG 3.3Å; Q365-E369 PolarHBondContact O-N 3.28Å
366R56.9Low54Low145 Ų145116.2 Ų116.255%0.54757%0.574SS.*Hα-helixtrans-62.1-42.2172.6-105.2-177.4-76.5-169.1-6.7112.2I363 K368 E369 E370I363-R366 PolarHBondContact O-N 3.39Å; R366-K368 VanDerWaalsContact C-N 3.34Å; R366-K368 PolarHBondContact O-N 2.75Å; R366-E369 PolarHBondContact O-N 2.75Å; R366-E370 VanDerWaalsContact O-CB 3.29Å; R366-E370 WeakPolarHBondContact O-CB 3.39Å; R366-E370 VanDerWaalsContact O-CG 3.27Å; R366-E370 WeakPolarHBondContact O-CG 3.4Å; R366-E370 PolarHBondContact O-N 2.86Å
367L55.9Low55.3Low90 Ų90115.7 Ų115.747%0.47156%0.561SS.*Hα-helixtrans-65.2-35.9176.2-72.2174.8000112.2I363 L364 Q365 E371I363-L367 HydrophobicContact CG2-CD1 3.74Å; I363-L367 HydrophobicContact CG2-CG 4.08Å; I363-L367 WeakPolarHBondContact O-CB 3.32Å; I363-L367 VanDerWaalsContact O-CG 3.25Å; I363-L367 WeakPolarHBondContact O-CG 3.49Å; I363-L367 PolarHBondContact O-N 2.87Å; L364-L367 PolarHBondContact O-N 2.77Å; Q365-L367 PolarHBondContact O-N 2.8Å; L367-E371 WeakPolarHBondContact O-CB 3.47Å; L367-E371 PolarHBondContact O-N 3.15Å
368K63.1Low56.6Low126 Ų126109.6 Ų109.655%0.54854%0.539SS..Hα-helixtrans-69.1-43.6173.8-80.3179.9180-179.10111.9L364 Q365 R366 E370 E371 E372L364-K368 WeakPolarHBondContact O-CB 3.43Å; L364-K368 WeakPolarHBondContact O-CG 3.37Å; L364-K368 PolarHBondContact O-N 2.96Å; Q365-K368 PolarHBondContact O-N 3.35Å; R366-K368 VanDerWaalsContact C-N 3.34Å; R366-K368 PolarHBondContact O-N 2.75Å; K368-E370 VanDerWaalsContact C-N 3.33Å; K368-E371 PolarHBondContact O-N 2.91Å; K368-E372 VanDerWaalsContact O-CB 3.31Å; K368-E372 WeakPolarHBondContact O-CB 3.18Å; K368-E372 VanDerWaalsContact O-CG 3.31Å; K368-E372 WeakPolarHBondContact O-CG 3.15Å; K368-E372 PolarHBondContact O-N 2.9Å
369E64.5Low58Low98 Ų98107.8 Ų107.846%0.45853%0.53SS..Hα-helixtrans-63.6-40.3175.4-73.1169.3-168.700111.1Q365 R366 S373Q365-E369 PolarHBondContact NE2-OE1 3.29Å; Q365-E369 WeakPolarHBondContact O-CB 3.44Å; Q365-E369 WeakPolarHBondContact O-CG 3.3Å; Q365-E369 PolarHBondContact O-N 3.28Å; R366-E369 PolarHBondContact O-N 2.75Å; E369-S373 WeakPolarHBondContact O-CB 3.24Å; E369-S373 PolarHBondContact O-N 2.9Å; E369-S373 PolarHBondContact O-OG 2.78Å
370E63.3Low59.6Low103 Ų103105.3 Ų105.348%0.48151%0.513SS..Hα-helixtrans-64.6-43.8171.7-76.1173.9-174.100111.4R366 K368 S373 E374R366-E370 VanDerWaalsContact O-CB 3.29Å; R366-E370 WeakPolarHBondContact O-CB 3.39Å; R366-E370 VanDerWaalsContact O-CG 3.27Å; R366-E370 WeakPolarHBondContact O-CG 3.4Å; R366-E370 PolarHBondContact O-N 2.86Å; K368-E370 VanDerWaalsContact C-N 3.33Å; E370-S373 PolarHBondContact O-N 3.34Å; E370-E374 WeakPolarHBondContact O-CB 3Å; E370-E374 VanDerWaalsContact O-CG 3.26Å; E370-E374 WeakPolarHBondContact O-CG 3.31Å; E370-E374 PolarHBondContact O-N 2.93Å
371E64.2Low61.4Low82 Ų82103.8 Ų103.838%0.38350%0.499SS..Hα-helixtrans-67.1-40.3178.1-173-174.5170.900112.1L367 K368 E374 K375L367-E371 WeakPolarHBondContact O-CB 3.47Å; L367-E371 PolarHBondContact O-N 3.15Å; K368-E371 PolarHBondContact O-N 2.91Å; E371-E374 PolarHBondContact O-N 2.78Å; E371-K375 HydrophobicContact CG-CD 4.36Å; E371-K375 WeakPolarHBondContact O-CB 3.4Å; E371-K375 VanDerWaalsContact O-CG 3.25Å; E371-K375 WeakPolarHBondContact O-CG 3.34Å; E371-K375 PolarHBondContact O-N 3.4Å; E371-K375 VanDerWaalsContact OE1-CE 3.23Å; E371-K375 WeakPolarHBondContact OE1-CE 3.37Å; E371-K375 IonicContact OE1-NZ 3.6Å; E371-K375 PolarHBondContact OE1-NZ 2.86Å
372E64.3Low62.9Low122 Ų12298 Ų9857%0.5747%0.471SS*.Hα-helixtrans-65.5-41.5173.7-77176.8-173.200110.7K368 K375 L376K368-E372 VanDerWaalsContact O-CB 3.31Å; K368-E372 WeakPolarHBondContact O-CB 3.18Å; K368-E372 VanDerWaalsContact O-CG 3.31Å; K368-E372 WeakPolarHBondContact O-CG 3.15Å; K368-E372 PolarHBondContact O-N 2.9Å; E372-K375 PolarHBondContact O-N 3.4Å; E372-L376 WeakPolarHBondContact O-CB 3.26Å; E372-L376 WeakPolarHBondContact O-CD1 3.19Å; E372-L376 WeakPolarHBondContact O-CG 3.46Å; E372-L376 PolarHBondContact O-N 3.39Å
373S62.7Low64.4Low62 Ų6295.8 Ų95.843%0.43446%0.459SS..Hα-helixtrans-63.6-44.3173.7-60.60000111.4E369 E370 L376 I377E369-S373 WeakPolarHBondContact O-CB 3.24Å; E369-S373 PolarHBondContact O-N 2.9Å; E369-S373 PolarHBondContact O-OG 2.78Å; E370-S373 PolarHBondContact O-N 3.34Å; S373-L376 PolarHBondContact O-N 3.42Å; S373-I377 WeakPolarHBondContact O-CB 3.48Å; S373-I377 WeakPolarHBondContact O-CD1 3.47Å; S373-I377 WeakPolarHBondContact O-CG1 3.18Å; S373-I377 PolarHBondContact O-N 3.35Å
374E62.6Low66Low99 Ų9991.3 Ų91.346%0.46344%0.436SS..Hα-helixtrans-64.5-38.1176-77.3-178.4-179.100111.9E370 E371 I377 S378E370-E374 WeakPolarHBondContact O-CB 3Å; E370-E374 VanDerWaalsContact O-CG 3.26Å; E370-E374 WeakPolarHBondContact O-CG 3.31Å; E370-E374 PolarHBondContact O-N 2.93Å; E371-E374 PolarHBondContact O-N 2.78Å; E374-I377 PolarHBondContact O-N 2.93Å; E374-S378 WeakPolarHBondContact O-CB 2.86Å; E374-S378 PolarHBondContact O-N 3.04Å; E374-S378 PolarHBondContact O-OG 2.76Å
375K64.4Low67.5Low86 Ų8689.3 Ų89.337%0.37443%0.428SS..Hα-helixtrans-65.5-48.5173.8-79.3173.4-174.8165.80111.4E371 E372 I377 S378 E379E371-K375 HydrophobicContact CG-CD 4.36Å; E371-K375 WeakPolarHBondContact O-CB 3.4Å; E371-K375 VanDerWaalsContact O-CG 3.25Å; E371-K375 WeakPolarHBondContact O-CG 3.34Å; E371-K375 PolarHBondContact O-N 3.4Å; E371-K375 VanDerWaalsContact OE1-CE 3.23Å; E371-K375 WeakPolarHBondContact OE1-CE 3.37Å; E371-K375 IonicContact OE1-NZ 3.6Å; E371-K375 PolarHBondContact OE1-NZ 2.86Å; E372-K375 PolarHBondContact O-N 3.4Å; K375-I377 VanDerWaalsContact C-N 3.27Å; K375-I377 PolarHBondContact O-N 2.97Å; K375-S378 WeakPolarHBondContact CA-OG 3.43Å; K375-S378 PolarHBondContact O-N 2.9Å; K375-S378 PolarHBondContact O-OG 3.04Å; K375-S378 VanDerWaalsContact O-OG 3.05Å; K375-E379 WeakPolarHBondContact O-CB 3.31Å; K375-E379 WeakPolarHBondContact O-CG 3.25Å; K375-E379 PolarHBondContact O-N 3.27Å
376L58.8Low68.5Low116 Ų11684.2 Ų84.261%0.60741%0.408SS*.Hα-helixtrans-58.5-40.7175.8-79.4161.3000111.7E372 S373 K380E372-L376 WeakPolarHBondContact O-CB 3.26Å; E372-L376 WeakPolarHBondContact O-CD1 3.19Å; E372-L376 WeakPolarHBondContact O-CG 3.46Å; E372-L376 PolarHBondContact O-N 3.39Å; S373-L376 PolarHBondContact O-N 3.42Å; L376-K380 VanDerWaalsContact O-CB 3.25Å; L376-K380 WeakPolarHBondContact O-CB 3.36Å; L376-K380 PolarHBondContact O-N 3.5Å
377I60.3Low69.5Low101 Ų10177.7 Ų77.752%0.51839%0.385SS..Hα-helixtrans-67.7-44176.4-67.8164.1000111S373 E374 K375 K380 Y381S373-I377 WeakPolarHBondContact O-CB 3.48Å; S373-I377 WeakPolarHBondContact O-CD1 3.47Å; S373-I377 WeakPolarHBondContact O-CG1 3.18Å; S373-I377 PolarHBondContact O-N 3.35Å; E374-I377 PolarHBondContact O-N 2.93Å; K375-I377 VanDerWaalsContact C-N 3.27Å; K375-I377 PolarHBondContact O-N 2.97Å; I377-K380 PolarHBondContact O-N 3.3Å; I377-Y381 HydrophobicContact CG2-CD2 4.24Å; I377-Y381 WeakPolarHBondContact O-CA 3.44Å; I377-Y381 WeakPolarHBondContact O-CB 3.43Å; I377-Y381 WeakPolarHBondContact O-CD2 3.38Å; I377-Y381 PolarHBondContact O-N 2.86Å
378S62.8Low70.5Confident51 Ų5177.2 Ų77.236%0.35738%0.377SS..Hα-helixtrans-74.9-27.4-177.860.30000114.4E374 K375 Y381E374-S378 WeakPolarHBondContact O-CB 2.86Å; E374-S378 PolarHBondContact O-N 3.04Å; E374-S378 PolarHBondContact O-OG 2.76Å; K375-S378 WeakPolarHBondContact CA-OG 3.43Å; K375-S378 PolarHBondContact O-N 2.9Å; K375-S378 PolarHBondContact O-OG 3.04Å; K375-S378 VanDerWaalsContact O-OG 3.05Å; S378-Y381 CarbonylContact C-O 3.57Å; S378-Y381 VanDerWaalsContact O-O 3.12Å
379E67.8Low71.1Confident137 Ų13772.6 Ų72.664%0.6436%0.359SS*.Hα-helixtrans-71.2-38171-74.7179.4175.800111.2K375K375-E379 WeakPolarHBondContact O-CB 3.31Å; K375-E379 WeakPolarHBondContact O-CG 3.25Å; K375-E379 PolarHBondContact O-N 3.27Å
380K73.3Confident72Confident87 Ų8771.9 Ų71.938%0.37836%0.363SS..Hα-helixtrans-81.5-38.7-179.4-169.7171.7179.2-174.40113.2L376 I377 E392L376-K380 VanDerWaalsContact O-CB 3.25Å; L376-K380 WeakPolarHBondContact O-CB 3.36Å; L376-K380 PolarHBondContact O-N 3.5Å; I377-K380 PolarHBondContact O-N 3.3Å; K380-E392 WeakPolarHBondContact CE-OE1 3.16Å; K380-E392 HydrophobicContact CG-CG 4.34Å; K380-E392 IonicContact NZ-OE1 3.9Å
381Y80.4Confident72.9Confident86 Ų8667.4 Ų67.434%0.33734%0.343SS..EExtended strand (participates in β ladder)trans-121.5125.9-175.5-59.5-79.4000110.9I377 S378 C391 E392I377-Y381 HydrophobicContact CG2-CD2 4.24Å; I377-Y381 WeakPolarHBondContact O-CA 3.44Å; I377-Y381 WeakPolarHBondContact O-CB 3.43Å; I377-Y381 WeakPolarHBondContact O-CD2 3.38Å; I377-Y381 PolarHBondContact O-N 2.86Å; S378-Y381 CarbonylContact C-O 3.57Å; S378-Y381 VanDerWaalsContact O-O 3.12Å; Y381-C391 WeakPolarHBondContact CA-O 3.32Å; Y381-E392 HydrophobicContact CD1-CB 3.89Å; Y381-E392 HydrophobicContact CE1-CB 3.74Å; Y381-E392 HydrophobicContact CE1-CG 4.17Å; Y381-E392 WeakPolarHBondContact CE1-OE2 3.25Å; Y381-E392 PolarHBondContact OH-OE2 3.2Å; Y381-E392 VanDerWaalsContact OH-OE2 3.04Å
382K84.6Confident73.9Confident50 Ų5066.9 Ų66.922%0.21734%0.34CS..EExtended strand (participates in β ladder)trans-118.3144.2170.7-60.8-171.3-177.5-172.20110.4C391 W411 L414K382-C391 PolarHBondContact N-O 2.85Å; K382-C391 WeakPolarHBondContact O-CA 3.37Å; K382-C391 WeakPolarHBondContact O-CB 3.36Å; K382-C391 PolarHBondContact O-N 3.35Å; K382-W411 HydrophobicContact CB-CE3 4.39Å; K382-W411 HydrophobicContact CB-CH2 4.01Å; K382-W411 HydrophobicContact CB-CZ3 3.88Å; K382-W411 HydrophobicContact CD-CD2 4.09Å; K382-W411 HydrophobicContact CD-CE3 4.24Å; K382-W411 HydrophobicContact CD-CH2 4.3Å; K382-W411 HydrophobicContact CD-CZ2 4.12Å; K382-W411 HydrophobicContact CD-CZ3 4.36Å; K382-W411 WeakPolarHBondContact CD-O 3.37Å; K382-W411 HydrophobicContact CG-CE3 4.49Å; K382-W411 HydrophobicContact CG-CH2 3.84Å; K382-W411 HydrophobicContact CG-CZ2 3.98Å; K382-W411 HydrophobicContact CG-CZ3 4.11Å; K382-W411 PolarHBondContact NZ-O 3.32Å; K382-L414 HydrophobicContact CB-CD2 3.9Å; K382-L414 HydrophobicContact CD-CD1 4.49Å; K382-L414 HydrophobicContact CD-CD2 3.84Å; K382-L414 HydrophobicContact CD-CG 4.39Å
383L82.1Confident74.6Confident77 Ų7761.3 Ų61.340%0.40331%0.314SS..EExtended strand (participates in β ladder)trans-75.3137.3177.8-54.1-174.4000110.2W388 P390L383-W388 HydrophobicContact CB-CE3 4.23Å; L383-W388 HydrophobicContact CD1-CE3 4.15Å; L383-W388 WeakPolarHBondContact CD2-O 3.49Å; L383-P390 HydrophobicContact CD2-CB 4.37Å; L383-P390 HydrophobicContact CD2-CG 4.02Å
384C84.3Confident75.2Confident0 Ų064.7 Ų64.70%033%0.326CS..  trans-59130.9171.1178.70000109.9G386 W388 T389 C402C384-G386 PolarHBondContact O-N 3.4Å; C384-G386 VanDerWaalsContact O-N 3.15Å; C384-G386 PolarHBondContact SG-N 3.48Å; C384-G386 VanDerWaalsContact SG-N 3.41Å; C384-W388 VanDerWaalsContact O-CA 3.24Å; C384-W388 WeakPolarHBondContact O-CA 3.15Å; C384-W388 PolarHBondContact O-N 2.95Å; C384-T389 PolarHBondContact N-O 2.9Å; C384-C402 HydrophobicContact CB-CB 4.25Å
385P84Confident75.9Confident36 Ų3665.8 Ų65.823%0.23434%0.34CS..THydrogen-bonded Turntrans-69.5-9.8179.229.5-37.2000114.2L407 F409 L414 A416P385-L407 HydrophobicContact CG-CD2 4.05Å; P385-F409 HydrophobicContact CG-CB 3.6Å; P385-F409 HydrophobicContact CG-CD2 4.33Å; P385-F409 HydrophobicContact CG-CG 3.99Å; P385-L414 WeakPolarHBondContact CB-O 3.42Å; P385-L414 VanDerWaalsContact CG-O 3.29Å; P385-L414 WeakPolarHBondContact CG-O 3.48Å; P385-A416 HydrophobicContact CG-CB 4.26Å
386G79.3Confident76.8Confident14 Ų1463.6 Ų63.614%0.14434%0.341CS..THydrogen-bonded Turntrans-96.3-48.817800000113.7P300 C384P300-G386 WeakPolarHBondContact CA-O 3.48Å; C384-G386 PolarHBondContact O-N 3.4Å; C384-G386 VanDerWaalsContact O-N 3.15Å; C384-G386 PolarHBondContact SG-N 3.48Å; C384-G386 VanDerWaalsContact SG-N 3.41Å
387C76.6Confident78.3Confident9 Ų959.1 Ų59.16%0.06132%0.319CS..THydrogen-bonded Turntrans-123.55.8-170.967.90000114D297 T389 C402 C405D297-C387 VanDerWaalsContact O-CA 3.32Å; D297-C387 WeakPolarHBondContact O-CA 3.41Å; D297-C387 WeakPolarHBondContact O-CB 3.44Å; C387-T389 PolarHBondContact O-N 2.92Å; C387-T389 PolarHBondContact SG-OG1 2.91Å; C387-C402 VanDerWaalsContact SG-SG 3.62Å; C387-C405 HydrophobicContact CB-CB 3.76Å; C387-C405 PolarHBondContact SG-SG 3.06Å
388W76.8Confident79.7Confident80 Ų8054.3 Ų54.330%0.30330%0.295SS..  trans59.76.6-179.5-49.4100.9000115.9M334 L383 C384M334-W388 HydrophobicContact CE-CH2 3.94Å; M334-W388 HydrophobicContact CE-CZ3 3.91Å; M334-W388 HydrophobicContact SD-CH2 3.47Å; M334-W388 WeakPolarHBondContact SD-CH2 3.42Å; M334-W388 HydrophobicContact SD-CZ2 4.31Å; M334-W388 HydrophobicContact SD-CZ3 3.89Å; L383-W388 HydrophobicContact CB-CE3 4.23Å; L383-W388 HydrophobicContact CD1-CE3 4.15Å; L383-W388 WeakPolarHBondContact CD2-O 3.49Å; C384-W388 VanDerWaalsContact O-CA 3.24Å; C384-W388 WeakPolarHBondContact O-CA 3.15Å; C384-W388 PolarHBondContact O-N 2.95Å
389T76.8Confident81Confident29 Ų2953.1 Ų53.118%0.17828%0.283CS..  trans-63.2131.1176.2-54.20000110.4C384 C387 C391C384-T389 PolarHBondContact N-O 2.9Å; C387-T389 PolarHBondContact O-N 2.92Å; C387-T389 PolarHBondContact SG-OG1 2.91Å; T389-C391 PolarHBondContact O-N 2.86Å; T389-C391 PolarHBondContact O-SG 3.31Å
390P81.9Confident82.1Confident83 Ų8347.8 Ų47.854%0.53926%0.259SS..EExtended strand (participates in β ladder)trans-57.6125.2173.2-24.334.1000111.3L383L383-P390 HydrophobicContact CD2-CB 4.37Å; L383-P390 HydrophobicContact CD2-CG 4.02Å
391C82.7Confident82.9Confident8 Ų846.7 Ų46.75%0.05426%0.259CS..EExtended strand (participates in β ladder)trans-117.2138.8178.7-62.70000109.3Y381 K382 T389 F409 W411Y381-C391 WeakPolarHBondContact CA-O 3.32Å; K382-C391 PolarHBondContact N-O 2.85Å; K382-C391 WeakPolarHBondContact O-CA 3.37Å; K382-C391 WeakPolarHBondContact O-CB 3.36Å; K382-C391 PolarHBondContact O-N 3.35Å; T389-C391 PolarHBondContact O-N 2.86Å; T389-C391 PolarHBondContact O-SG 3.31Å; C391-F409 HydrophobicContact CB-CZ 3.86Å; C391-W411 HydrophobicContact CB-CZ3 4.26Å; C391-W411 VanDerWaalsContact O-CH2 3.25Å; C391-W411 WeakPolarHBondContact O-CH2 3.33Å; C391-W411 VanDerWaalsContact O-CZ3 3.31Å; C391-W411 WeakPolarHBondContact O-CZ3 3.42Å
392E84.6Confident83.1Confident72 Ų7242.6 Ų42.634%0.33624%0.243SC..EExtended strand (participates in β ladder)trans-114.9136.2174.4-179.2172.4-177.900109.4K380 Y381 I394 M400K380-E392 WeakPolarHBondContact CE-OE1 3.16Å; K380-E392 HydrophobicContact CG-CG 4.34Å; K380-E392 IonicContact NZ-OE1 3.9Å; Y381-E392 HydrophobicContact CD1-CB 3.89Å; Y381-E392 HydrophobicContact CE1-CB 3.74Å; Y381-E392 HydrophobicContact CE1-CG 4.17Å; Y381-E392 WeakPolarHBondContact CE1-OE2 3.25Å; Y381-E392 PolarHBondContact OH-OE2 3.2Å; Y381-E392 VanDerWaalsContact OH-OE2 3.04Å; E392-I394 HydrophobicContact CG-CG1 4.37Å; E392-M400 VanDerWaalsContact O-CE 3.3Å; E392-M400 WeakPolarHBondContact O-CE 3.33Å
393K80.8Confident82.9Confident5 Ų543.3 Ų43.32%0.02225%0.254CS..  trans-95.2105.6171.2-177.9-174169.8-153.10109G396 N398 M400 W411 T438 N440K393-G396 VanDerWaalsContact CE-O 3.32Å; K393-G396 WeakPolarHBondContact CE-O 3.48Å; K393-N398 WeakPolarHBondContact CE-OD1 3.34Å; K393-N398 PolarHBondContact NZ-OD1 2.86Å; K393-M400 HydrophobicContact CB-CE 4Å; K393-M400 HydrophobicContact CB-SD 4.02Å; K393-M400 HydrophobicContact CG-CE 4.46Å; K393-M400 HydrophobicContact CG-SD 3.89Å; K393-W411 HydrophobicContact CB-CD2 3.63Å; K393-W411 VanDerWaalsContact CB-CE2 3.48Å; K393-W411 HydrophobicContact CB-CE3 3.91Å; K393-W411 HydrophobicContact CB-CG 4.21Å; K393-W411 HydrophobicContact CB-CH2 3.9Å; K393-W411 HydrophobicContact CB-CZ2 3.64Å; K393-W411 HydrophobicContact CB-CZ3 4.03Å; K393-W411 HydrophobicContact CD-CB 4.28Å; K393-W411 HydrophobicContact CD-CD2 4.07Å; K393-W411 HydrophobicContact CD-CG 3.7Å; K393-W411 HydrophobicContact CG-CD2 4.4Å; K393-W411 HydrophobicContact CG-CG 4.49Å; K393-T438 PolarHBondContact NZ-O 3.44Å; K393-N440 WeakPolarHBondContact CD-OD1 3.36Å; K393-N440 WeakPolarHBondContact CE-OD1 3.4Å; K393-N440 PolarHBondContact NZ-OD1 3.4Å; K393-N440 PolarHBondContact O-ND2 3.3Å
394I73.7Confident82.7Confident133 Ų13340.9 Ų40.968%0.68224%0.24SC*.  trans-80.4-61.9-179.4-54.3173.9000110.5E392 N440E392-I394 HydrophobicContact CG-CG1 4.37Å; I394-N440 PolarHBondContact O-ND2 3.16Å
395T77.7Confident82.4Confident122 Ų12242 Ų4275%0.74825%0.247SC*.SBendtrans-147.4167.1174.955.70000110.1
396G83.4Confident82.5Confident39 Ų3943.8 Ų43.840%0.40225%0.252SS..SBendtrans101.8-163.5172.600000114.9K393K393-G396 VanDerWaalsContact CE-O 3.32Å; K393-G396 WeakPolarHBondContact CE-O 3.48Å
397C89.7Confident82.7Confident22 Ų2244.5 Ų44.515%0.14925%0.253CS..  trans-76.3163.6-174.376.70000112.7K399 L436 W437C397-K399 PolarHBondContact O-N 3.17Å; C397-L436 CarbonylContact C-O 3.6Å; C397-L436 VanDerWaalsContact CA-O 3.22Å; C397-L436 WeakPolarHBondContact CA-O 3.29Å; C397-L436 HydrophobicContact CB-CD1 3.71Å; C397-L436 HydrophobicContact CB-CG 3.92Å; C397-L436 VanDerWaalsContact CB-O 3.29Å; C397-L436 WeakPolarHBondContact CB-O 3.25Å; C397-W437 HydrophobicContact CB-CD2 4Å; C397-W437 HydrophobicContact CB-CE3 3.76Å; C397-W437 HydrophobicContact CB-CH2 3.76Å; C397-W437 HydrophobicContact CB-CZ2 3.98Å; C397-W437 HydrophobicContact CB-CZ3 3.65Å; C397-W437 VanDerWaalsContact N-CZ3 3.27Å
398N91Very high83.4Confident0 Ų046 Ų460%026%0.258CS..SBendtrans-75.3-3.2179.1-72.1-41.5000113.9K393 M400 C410 W411 L412 F427 Q435 L436 T438K393-N398 WeakPolarHBondContact CE-OD1 3.34Å; K393-N398 PolarHBondContact NZ-OD1 2.86Å; N398-M400 PolarHBondContact O-N 2.84Å; N398-C410 CarbonylContact O-C 3.5Å; N398-C410 WeakPolarHBondContact O-CA 3.34Å; N398-W411 HydrophobicContact CB-CB 4.31Å; N398-W411 PolarHBondContact O-N 2.76Å; N398-L412 HydrophobicContact CB-CD1 4.45Å; N398-L412 HydrophobicContact CB-CG 4.18Å; N398-F427 HydrophobicContact CB-CE1 3.67Å; N398-F427 HydrophobicContact CB-CZ 4.06Å; N398-Q435 PolarHBondContact ND2-O 2.89Å; N398-L436 PolarHBondContact N-O 3.5Å; N398-T438 WeakPolarHBondContact ND2-CG2 3.4Å; N398-T438 PolarHBondContact ND2-OG1 2.94Å; N398-T438 PolarHBondContact OD1-OG1 3.38Å
399K90.5Very high84.1Confident27 Ų2742.1 Ų42.112%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-78.5101.6165.5179.9-158.4132.850.80108.4C397 F408 P423 Y424 F427 L436C397-K399 PolarHBondContact O-N 3.17Å; K399-F408 VanDerWaalsContact NZ-CD2 3.3Å; K399-P423 HydrophobicContact CD-CB 3.89Å; K399-P423 HydrophobicContact CD-CG 4.14Å; K399-Y424 HydrophobicContact CB-CE1 4.3Å; K399-Y424 HydrophobicContact CD-CD1 4.04Å; K399-Y424 HydrophobicContact CD-CE1 3.6Å; K399-F427 HydrophobicContact CB-CE2 3.76Å; K399-F427 HydrophobicContact CB-CZ 4.13Å; K399-L436 HydrophobicContact CB-CD1 4.41Å
400M90.4Very high84.8Confident25 Ų2540.8 Ų40.812%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-90.4154.6175.9-65.8-65.4-70.600110.9E392 K393 N398 F408 F409 W411E392-M400 VanDerWaalsContact O-CE 3.3Å; E392-M400 WeakPolarHBondContact O-CE 3.33Å; K393-M400 HydrophobicContact CB-CE 4Å; K393-M400 HydrophobicContact CB-SD 4.02Å; K393-M400 HydrophobicContact CG-CE 4.46Å; K393-M400 HydrophobicContact CG-SD 3.89Å; N398-M400 PolarHBondContact O-N 2.84Å; M400-F408 VanDerWaalsContact O-CA 3.31Å; M400-F408 WeakPolarHBondContact O-CA 3.31Å; M400-F409 HydrophobicContact CB-CD1 3.96Å; M400-F409 HydrophobicContact CB-CD2 4.22Å; M400-F409 HydrophobicContact CB-CE1 3.54Å; M400-F409 HydrophobicContact CB-CE2 3.82Å; M400-F409 HydrophobicContact CB-CG 4.28Å; M400-F409 HydrophobicContact CB-CZ 3.46Å; M400-F409 VanDerWaalsContact CB-CZ 3.46Å; M400-F409 HydrophobicContact CG-CE2 4.26Å; M400-F409 HydrophobicContact CG-CZ 4.15Å; M400-F409 PolarHBondContact N-O 3.13Å; M400-F409 PolarHBondContact O-N 3.2Å; M400-W411 HydrophobicContact CE-CE3 4.2Å; M400-W411 HydrophobicContact CE-CZ3 4.35Å; M400-W411 HydrophobicContact CG-CB 3.8Å; M400-W411 HydrophobicContact CG-CD2 4.39Å; M400-W411 HydrophobicContact CG-CE3 3.88Å; M400-W411 HydrophobicContact CG-CG 4.41Å; M400-W411 HydrophobicContact SD-CE3 4.45Å
401T88.8Confident85.2Confident64 Ų6437.7 Ų37.739%0.39321%0.213SC..EExtended strand (participates in β ladder)trans-122122.2166.7-55.50000106.5S403 H406 L407 F408T401-S403 PolarHBondContact O-N 2.93Å; T401-H406 HydrophobicContact CG2-CB 4.4Å; T401-L407 WeakPolarHBondContact CA-O 3.3Å; T401-F408 HydrophobicContact CG2-CD1 3.82Å; T401-F408 HydrophobicContact CG2-CE1 3.75Å; T401-F408 VanDerWaalsContact OG1-CD1 3.27Å; T401-F408 WeakPolarHBondContact OG1-CD1 3.25Å; T401-F408 WeakPolarHBondContact OG1-CE1 3.37Å
402C85.6Confident85.5Confident0 Ų040 Ų400%022%0.224CC..  trans-60.4128.3174.6-178.20000109.2C384 C387 Y404 C405 H406 L407 F409C384-C402 HydrophobicContact CB-CB 4.25Å; C387-C402 VanDerWaalsContact SG-SG 3.62Å; C402-Y404 PolarHBondContact O-N 3.2Å; C402-Y404 PolarHBondContact SG-N 3.28Å; C402-Y404 VanDerWaalsContact SG-N 3.42Å; C402-C405 VanDerWaalsContact CB-SG 3.54Å; C402-H406 WeakPolarHBondContact O-CA 3.33Å; C402-H406 PolarHBondContact O-N 2.98Å; C402-H406 PolarHBondContact O-ND1 2.89Å; C402-L407 PolarHBondContact N-O 3.46Å; C402-F409 HydrophobicContact CB-CE1 4.26Å
403S80.3Confident85.6Confident65 Ų6539.2 Ų39.246%0.45523%0.227SC..THydrogen-bonded Turntrans-63.9-21.417749.70000112.6T401 H406T401-S403 PolarHBondContact O-N 2.93Å; S403-H406 PolarHBondContact O-CE1 3.14Å
404Y77.1Confident86Confident26 Ų2642 Ų4210%0.10224%0.241CC..THydrogen-bonded Turntrans-97.9-59.7-174.4-166.8-106.1000113.6R294 D297 C402R294-Y404 WeakPolarHBondContact CA-OH 3.3Å; R294-Y404 HydrophobicContact CB-CE1 4.5Å; R294-Y404 WeakPolarHBondContact CB-OH 3.37Å; R294-Y404 HydrophobicContact CG-CE1 4.14Å; R294-Y404 HydrophobicContact CG-CE2 4.38Å; R294-Y404 VanDerWaalsContact CZ-O 3.27Å; R294-Y404 PolarHBondContact NH1-O 3.32Å; R294-Y404 PolarHBondContact NH2-O 3.2Å; R294-Y404 VanDerWaalsContact NH2-O 3.11Å; D297-Y404 HydrophobicContact CB-CD1 4.44Å; D297-Y404 HydrophobicContact CB-CE1 3.47Å; D297-Y404 VanDerWaalsContact CB-CE1 3.47Å; D297-Y404 WeakPolarHBondContact OD2-CE1 3.19Å; D297-Y404 PolarHBondContact OD2-OH 2.92Å; C402-Y404 PolarHBondContact O-N 3.2Å; C402-Y404 PolarHBondContact SG-N 3.28Å; C402-Y404 VanDerWaalsContact SG-N 3.42Å
405C79.6Confident86.6Confident23 Ų2341.9 Ų41.916%0.15523%0.233CC..THydrogen-bonded Turntrans-92.8-5.4179.573.60000114I298 C387 C402 L407I298-C405 HydrophobicContact CG1-CB 3.97Å; C387-C405 HydrophobicContact CB-CB 3.76Å; C387-C405 PolarHBondContact SG-SG 3.06Å; C402-C405 VanDerWaalsContact CB-SG 3.54Å; C405-L407 PolarHBondContact O-N 2.87Å; C405-L407 WeakPolarHBondContact SG-CB 3.3Å; C405-L407 PolarHBondContact SG-N 3.06Å
406H84.5Confident87.1Confident73 Ų7337 Ų3734%0.33821%0.205SC..  trans57.515.8-177.8-49-57.2000115.2R294 T401 C402 S403 F408R294-H406 PolarHBondContact NH2-NE2 3.08Å; T401-H406 HydrophobicContact CG2-CB 4.4Å; C402-H406 WeakPolarHBondContact O-CA 3.33Å; C402-H406 PolarHBondContact O-N 2.98Å; C402-H406 PolarHBondContact O-ND1 2.89Å; S403-H406 PolarHBondContact O-CE1 3.14Å; H406-F408 PolarHBondContact O-N 2.85Å
407L85.2Confident87.4Confident29 Ų2935.4 Ų35.415%0.15219%0.187CC..  trans-63.5132.9170.7177.863.2000109.5P385 T401 C402 C405 A416P385-L407 HydrophobicContact CG-CD2 4.05Å; T401-L407 WeakPolarHBondContact CA-O 3.3Å; C402-L407 PolarHBondContact N-O 3.46Å; C405-L407 PolarHBondContact O-N 2.87Å; C405-L407 WeakPolarHBondContact SG-CB 3.3Å; C405-L407 PolarHBondContact SG-N 3.06Å; L407-A416 HydrophobicContact CD1-CB 4.34Å; L407-A416 HydrophobicContact CD2-CB 3.91Å
408F90.9Very high87.2Confident40 Ų4041.3 Ų41.318%0.17521%0.212CC..EExtended strand (participates in β ladder)trans-79.1134.2167.8-59-25.6000109.3K399 M400 T401 H406 I417 R420 P423K399-F408 VanDerWaalsContact NZ-CD2 3.3Å; M400-F408 VanDerWaalsContact O-CA 3.31Å; M400-F408 WeakPolarHBondContact O-CA 3.31Å; T401-F408 HydrophobicContact CG2-CD1 3.82Å; T401-F408 HydrophobicContact CG2-CE1 3.75Å; T401-F408 VanDerWaalsContact OG1-CD1 3.27Å; T401-F408 WeakPolarHBondContact OG1-CD1 3.25Å; T401-F408 WeakPolarHBondContact OG1-CE1 3.37Å; H406-F408 PolarHBondContact O-N 2.85Å; F408-I417 HydrophobicContact CB-CB 3.94Å; F408-I417 HydrophobicContact CB-CG2 4.37Å; F408-I417 WeakPolarHBondContact O-CA 3.32Å; F408-I417 WeakPolarHBondContact O-CB 3.47Å; F408-I417 PolarHBondContact O-N 3.41Å; F408-R420 HydrophobicContact CD2-CG 4.34Å; F408-R420 HydrophobicContact CE2-CB 4.29Å; F408-R420 HydrophobicContact CE2-CG 4Å; F408-P423 HydrophobicContact CD2-CB 3.68Å; F408-P423 HydrophobicContact CE2-CB 4Å; F408-P423 HydrophobicContact CE2-CG 4.45Å
409F91.3Very high86.9Confident0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-149.4159.2176.768.8-81.6000111.8P385 C391 M400 C402 W411 L414 Y415P385-F409 HydrophobicContact CG-CB 3.6Å; P385-F409 HydrophobicContact CG-CD2 4.33Å; P385-F409 HydrophobicContact CG-CG 3.99Å; C391-F409 HydrophobicContact CB-CZ 3.86Å; M400-F409 HydrophobicContact CB-CD1 3.96Å; M400-F409 HydrophobicContact CB-CD2 4.22Å; M400-F409 HydrophobicContact CB-CE1 3.54Å; M400-F409 HydrophobicContact CB-CE2 3.82Å; M400-F409 HydrophobicContact CB-CG 4.28Å; M400-F409 HydrophobicContact CB-CZ 3.46Å; M400-F409 VanDerWaalsContact CB-CZ 3.46Å; M400-F409 HydrophobicContact CG-CE2 4.26Å; M400-F409 HydrophobicContact CG-CZ 4.15Å; M400-F409 PolarHBondContact N-O 3.13Å; M400-F409 PolarHBondContact O-N 3.2Å; C402-F409 HydrophobicContact CB-CE1 4.26Å; F409-W411 HydrophobicContact CE2-CE3 4.24Å; F409-L414 HydrophobicContact CD2-CD2 4.03Å; F409-L414 HydrophobicContact CE2-CD2 3.96Å; F409-Y415 CarbonylContact C-O 3.59Å; F409-Y415 WeakPolarHBondContact CA-O 3.25Å; F409-Y415 WeakPolarHBondContact CB-O 3.26Å
410C91.3Very high86.7Confident0 Ų051.5 Ų51.50%026%0.256CS..EExtended strand (participates in β ladder)trans-83.5125.3173.8-179.30000110.8N398 L412 C413 L414 Y415 H426 F427N398-C410 CarbonylContact O-C 3.5Å; N398-C410 WeakPolarHBondContact O-CA 3.34Å; C410-L412 PolarHBondContact O-N 3.32Å; C410-L412 PolarHBondContact SG-N 2.87Å; C410-C413 VanDerWaalsContact CB-SG 3.58Å; C410-C413 VanDerWaalsContact SG-SG 3.69Å; C410-L414 WeakPolarHBondContact O-CA 3.15Å; C410-L414 PolarHBondContact O-N 2.99Å; C410-Y415 PolarHBondContact N-O 3.07Å; C410-H426 VanDerWaalsContact CB-NE2 3.32Å; C410-H426 WeakPolarHBondContact CB-NE2 3.16Å; C410-H426 PolarHBondContact SG-NE2 3.04Å; C410-F427 HydrophobicContact CB-CZ 4.1Å
411W90.2Very high86.4Confident18 Ų1859.4 Ų59.47%0.06829%0.292CS..THydrogen-bonded Turntrans-61-30.9176.8-176.4-108.3000113K382 C391 K393 N398 M400 F409K382-W411 HydrophobicContact CB-CE3 4.39Å; K382-W411 HydrophobicContact CB-CH2 4.01Å; K382-W411 HydrophobicContact CB-CZ3 3.88Å; K382-W411 HydrophobicContact CD-CD2 4.09Å; K382-W411 HydrophobicContact CD-CE3 4.24Å; K382-W411 HydrophobicContact CD-CH2 4.3Å; K382-W411 HydrophobicContact CD-CZ2 4.12Å; K382-W411 HydrophobicContact CD-CZ3 4.36Å; K382-W411 WeakPolarHBondContact CD-O 3.37Å; K382-W411 HydrophobicContact CG-CE3 4.49Å; K382-W411 HydrophobicContact CG-CH2 3.84Å; K382-W411 HydrophobicContact CG-CZ2 3.98Å; K382-W411 HydrophobicContact CG-CZ3 4.11Å; K382-W411 PolarHBondContact NZ-O 3.32Å; C391-W411 HydrophobicContact CB-CZ3 4.26Å; C391-W411 VanDerWaalsContact O-CH2 3.25Å; C391-W411 WeakPolarHBondContact O-CH2 3.33Å; C391-W411 VanDerWaalsContact O-CZ3 3.31Å; C391-W411 WeakPolarHBondContact O-CZ3 3.42Å; K393-W411 HydrophobicContact CB-CD2 3.63Å; K393-W411 VanDerWaalsContact CB-CE2 3.48Å; K393-W411 HydrophobicContact CB-CE3 3.91Å; K393-W411 HydrophobicContact CB-CG 4.21Å; K393-W411 HydrophobicContact CB-CH2 3.9Å; K393-W411 HydrophobicContact CB-CZ2 3.64Å; K393-W411 HydrophobicContact CB-CZ3 4.03Å; K393-W411 HydrophobicContact CD-CB 4.28Å; K393-W411 HydrophobicContact CD-CD2 4.07Å; K393-W411 HydrophobicContact CD-CG 3.7Å; K393-W411 HydrophobicContact CG-CD2 4.4Å; K393-W411 HydrophobicContact CG-CG 4.49Å; N398-W411 HydrophobicContact CB-CB 4.31Å; N398-W411 PolarHBondContact O-N 2.76Å; M400-W411 HydrophobicContact CE-CE3 4.2Å; M400-W411 HydrophobicContact CE-CZ3 4.35Å; M400-W411 HydrophobicContact CG-CB 3.8Å; M400-W411 HydrophobicContact CG-CD2 4.39Å; M400-W411 HydrophobicContact CG-CE3 3.88Å; M400-W411 HydrophobicContact CG-CG 4.41Å; M400-W411 HydrophobicContact SD-CE3 4.45Å; F409-W411 HydrophobicContact CE2-CE3 4.24Å
412L88.6Confident86.3Confident56 Ų5660.1 Ų60.129%0.29329%0.293SS..THydrogen-bonded Turntrans-75.8-56-174.2-58178.2000111.4N398 C410 C432 Q435N398-L412 HydrophobicContact CB-CD1 4.45Å; N398-L412 HydrophobicContact CB-CG 4.18Å; C410-L412 PolarHBondContact O-N 3.32Å; C410-L412 PolarHBondContact SG-N 2.87Å; L412-C432 HydrophobicContact CD1-CB 4.49Å; L412-Q435 HydrophobicContact CD1-CB 3.62Å; L412-Q435 HydrophobicContact CD1-CG 4.48Å; L412-Q435 VanDerWaalsContact CD1-OE1 3.3Å
413C87.9Confident86.3Confident57 Ų5760.9 Ų60.939%0.38530%0.298SS..THydrogen-bonded Turntrans-103.9-2.8-173.467.10000114.4C410 Y415 H426 C432C410-C413 VanDerWaalsContact CB-SG 3.58Å; C410-C413 VanDerWaalsContact SG-SG 3.69Å; C413-Y415 PolarHBondContact O-N 2.96Å; C413-Y415 WeakPolarHBondContact SG-CB 3.39Å; C413-H426 PolarHBondContact SG-CE1 2.76Å; C413-H426 PolarHBondContact SG-NE2 3.42Å; C413-C432 VanDerWaalsContact SG-SG 3.65Å
414L87.4Confident86.8Confident63 Ų6363.2 Ų63.233%0.3330%0.298SS..  trans58.123.5-175.8-57.3176.7000114.1K382 P385 F409 C410 A416K382-L414 HydrophobicContact CB-CD2 3.9Å; K382-L414 HydrophobicContact CD-CD1 4.49Å; K382-L414 HydrophobicContact CD-CD2 3.84Å; K382-L414 HydrophobicContact CD-CG 4.39Å; P385-L414 WeakPolarHBondContact CB-O 3.42Å; P385-L414 VanDerWaalsContact CG-O 3.29Å; P385-L414 WeakPolarHBondContact CG-O 3.48Å; F409-L414 HydrophobicContact CD2-CD2 4.03Å; F409-L414 HydrophobicContact CE2-CD2 3.96Å; C410-L414 WeakPolarHBondContact O-CA 3.15Å; C410-L414 PolarHBondContact O-N 2.99Å; L414-A416 PolarHBondContact O-N 2.87Å
415Y87.9Confident87.3Confident131 Ų13164 Ų6451%0.51431%0.307SS..  trans-68.5128.8173.9-178.1-102.9000111.2F409 C410 C413 I417 H426F409-Y415 CarbonylContact C-O 3.59Å; F409-Y415 WeakPolarHBondContact CA-O 3.25Å; F409-Y415 WeakPolarHBondContact CB-O 3.26Å; C410-Y415 PolarHBondContact N-O 3.07Å; C413-Y415 PolarHBondContact O-N 2.96Å; C413-Y415 WeakPolarHBondContact SG-CB 3.39Å; Y415-I417 HydrophobicContact CD1-CG1 4.07Å; Y415-I417 PolarHBondContact O-N 3.05Å; Y415-H426 AromaticContact CD1-CE1 3.98Å; Y415-H426 AromaticContact CD1-ND1 3.48Å; Y415-H426 WeakPolarHBondContact CD1-ND1 3.23Å
416A88Confident87.7Confident19 Ų1964.2 Ų64.216%0.15731%0.306CS..EExtended strand (participates in β ladder)trans-73.9118.9173.700000110.9P385 L407 L414P385-A416 HydrophobicContact CG-CB 4.26Å; L407-A416 HydrophobicContact CD1-CB 4.34Å; L407-A416 HydrophobicContact CD2-CB 3.91Å; L414-A416 PolarHBondContact O-N 2.87Å
417I89Confident88Confident6 Ų661.2 Ų61.23%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-97.3101.1-179-57.5168.5000108F408 Y415 P423 H426 F427F408-I417 HydrophobicContact CB-CB 3.94Å; F408-I417 HydrophobicContact CB-CG2 4.37Å; F408-I417 WeakPolarHBondContact O-CA 3.32Å; F408-I417 WeakPolarHBondContact O-CB 3.47Å; F408-I417 PolarHBondContact O-N 3.41Å; Y415-I417 HydrophobicContact CD1-CG1 4.07Å; Y415-I417 PolarHBondContact O-N 3.05Å; I417-P423 HydrophobicContact CG2-CB 4.38Å; I417-H426 HydrophobicContact CD1-CB 4.05Å; I417-H426 HydrophobicContact CG1-CB 4.19Å; I417-F427 HydrophobicContact CD1-CE2 4.17Å
418H85.7Confident88.1Confident145 Ų14563.1 Ų63.167%0.67131%0.308SS*.  trans-84-23.8-177.8-63-75.1000113.7R420H418-R420 PolarHBondContact O-N 3.34Å; H418-R420 VanDerWaalsContact O-N 3.16Å
419D85.4Confident87.6Confident71 Ų7167 Ų6738%0.3833%0.33SS..  trans-73.6106177.5-173.7-8.9000110.9H421 N422 P423D419-H421 WeakPolarHBondContact OD1-CA 3.31Å; D419-H421 PolarHBondContact OD1-N 3.38Å; D419-N422 CarbonylContact O-C 3.51Å; D419-N422 PolarHBondContact OD1-N 2.82Å; D419-P423 WeakPolarHBondContact O-CA 3.21Å
420R84.5Confident87Confident171 Ų17169.7 Ų69.765%0.64536%0.357SS*.SBendtrans-80.1-24.1176.5-69-166.8172.7-152.2-1.2113.6F408 H418F408-R420 HydrophobicContact CD2-CG 4.34Å; F408-R420 HydrophobicContact CE2-CB 4.29Å; F408-R420 HydrophobicContact CE2-CG 4Å; H418-R420 PolarHBondContact O-N 3.34Å; H418-R420 VanDerWaalsContact O-N 3.16Å
421H85.4Confident86.7Confident190 Ų19075.6 Ų75.688%0.8839%0.394SS*.SBendtrans-77.9-32.8179.4-67.1-65.9000111.3D419D419-H421 WeakPolarHBondContact OD1-CA 3.31Å; D419-H421 PolarHBondContact OD1-N 3.38Å
422N87.1Confident86.6Confident80 Ų8074.9 Ų74.943%0.42839%0.392SS..  trans-132.472.5175.3-171.66.1000112.5D419 Y424 S425D419-N422 CarbonylContact O-C 3.51Å; D419-N422 PolarHBondContact OD1-N 2.82Å; N422-Y424 PolarHBondContact O-N 2.91Å; N422-Y424 VanDerWaalsContact O-N 3.15Å; N422-S425 WeakPolarHBondContact O-CB 3.31Å; N422-S425 PolarHBondContact O-N 3.3Å; N422-S425 PolarHBondContact O-OG 3.47Å; N422-S425 PolarHBondContact OD1-N 2.77Å
423P85.9Confident86.6Confident16 Ų1677.8 Ų77.810%0.10440%0.404CS..THydrogen-bonded Turntrans-75.8-2.9-174.834.6-38.7000113.5K399 F408 I417 D419K399-P423 HydrophobicContact CD-CB 3.89Å; K399-P423 HydrophobicContact CD-CG 4.14Å; F408-P423 HydrophobicContact CD2-CB 3.68Å; F408-P423 HydrophobicContact CE2-CB 4Å; F408-P423 HydrophobicContact CE2-CG 4.45Å; I417-P423 HydrophobicContact CG2-CB 4.38Å; D419-P423 WeakPolarHBondContact O-CA 3.21Å
424Y89.8Confident86.6Confident113 Ų11378.4 Ų78.444%0.44342%0.419SS..THydrogen-bonded Turntrans-100.3-6.1178.5-59-75.7000113.3K399 N422 H426 F427 L436K399-Y424 HydrophobicContact CB-CE1 4.3Å; K399-Y424 HydrophobicContact CD-CD1 4.04Å; K399-Y424 HydrophobicContact CD-CE1 3.6Å; N422-Y424 PolarHBondContact O-N 2.91Å; N422-Y424 VanDerWaalsContact O-N 3.15Å; Y424-H426 PolarHBondContact O-N 3.33Å; Y424-F427 PolarHBondContact O-N 2.68Å; Y424-L436 HydrophobicContact CD1-CD1 3.82Å; Y424-L436 HydrophobicContact CD1-CD2 4.03Å; Y424-L436 HydrophobicContact CE1-CD1 4.16Å; Y424-L436 HydrophobicContact CE1-CD2 4.39Å
425S87.4Confident86.6Confident44 Ų4479.4 Ų79.431%0.30842%0.423SS..G310 helixtrans-52.2-38.9178.7540000113N422 F427 S428N422-S425 WeakPolarHBondContact O-CB 3.31Å; N422-S425 PolarHBondContact O-N 3.3Å; N422-S425 PolarHBondContact O-OG 3.47Å; N422-S425 PolarHBondContact OD1-N 2.77Å; S425-F427 PolarHBondContact O-N 2.9Å; S425-S428 WeakPolarHBondContact O-CB 3.49Å; S425-S428 PolarHBondContact O-N 2.69Å
426H88.1Confident86.7Confident26 Ų2675 Ų7512%0.1241%0.408CS..G310 helixtrans-56.4-30175.9176.475.3000114C410 C413 Y415 I417 Y424 C432C410-H426 VanDerWaalsContact CB-NE2 3.32Å; C410-H426 WeakPolarHBondContact CB-NE2 3.16Å; C410-H426 PolarHBondContact SG-NE2 3.04Å; C413-H426 PolarHBondContact SG-CE1 2.76Å; C413-H426 PolarHBondContact SG-NE2 3.42Å; Y415-H426 AromaticContact CD1-CE1 3.98Å; Y415-H426 AromaticContact CD1-ND1 3.48Å; Y415-H426 WeakPolarHBondContact CD1-ND1 3.23Å; I417-H426 HydrophobicContact CD1-CB 4.05Å; I417-H426 HydrophobicContact CG1-CB 4.19Å; Y424-H426 PolarHBondContact O-N 3.33Å; H426-C432 WeakPolarHBondContact NE2-CB 3.41Å
427F90.5Very high86.5Confident11 Ų1182.6 Ų82.65%0.04843%0.432CS..G310 helixtrans-91.4-3.8-179.7-58.2-85.3000112.8N398 K399 C410 I417 Y424 S425 C432 Q433 G434 L436N398-F427 HydrophobicContact CB-CE1 3.67Å; N398-F427 HydrophobicContact CB-CZ 4.06Å; K399-F427 HydrophobicContact CB-CE2 3.76Å; K399-F427 HydrophobicContact CB-CZ 4.13Å; C410-F427 HydrophobicContact CB-CZ 4.1Å; I417-F427 HydrophobicContact CD1-CE2 4.17Å; Y424-F427 PolarHBondContact O-N 2.68Å; S425-F427 PolarHBondContact O-N 2.9Å; F427-C432 HydrophobicContact CD1-CB 4.37Å; F427-Q433 WeakPolarHBondContact O-CA 3.36Å; F427-G434 PolarHBondContact O-N 3.34Å; F427-L436 HydrophobicContact CB-CB 4.16Å; F427-L436 HydrophobicContact CB-CD1 4.43Å; F427-L436 HydrophobicContact CD1-CB 4.23Å; F427-L436 HydrophobicContact CD1-CD1 4.14Å; F427-L436 HydrophobicContact CD2-CD1 3.73Å; F427-L436 HydrophobicContact CE1-CD1 4.34Å; F427-L436 HydrophobicContact CE2-CD1 3.97Å; F427-L436 HydrophobicContact CG-CB 4.18Å; F427-L436 HydrophobicContact CG-CD1 3.82Å; F427-L436 HydrophobicContact CZ-CD1 4.27Å
428S87.5Confident86.1Confident69 Ų6984.7 Ų84.748%0.48345%0.446SS..THydrogen-bonded Turntrans-89.5-27.5177.1-56.10000112S425 Q433S425-S428 WeakPolarHBondContact O-CB 3.49Å; S425-S428 PolarHBondContact O-N 2.69Å; S428-Q433 VanDerWaalsContact O-CD 3.25Å; S428-Q433 WeakPolarHBondContact O-CG 3.35Å; S428-Q433 PolarHBondContact O-NE2 3.26Å
429N80.2Confident85.1Confident122 Ų12285.3 Ų85.365%0.65245%0.454SS*.SBendtrans-142.9147.7-177.3-70.2-26.6000111.3
430G79.9Confident83.8Confident55 Ų5584.6 Ų84.657%0.56745%0.45SS*.SBendtrans98.6-161.117300000114.4C432 Q433G430-C432 PolarHBondContact O-N 2.79Å; G430-Q433 VanDerWaalsContact O-CB 3.29Å; G430-Q433 WeakPolarHBondContact O-CB 3.27Å; G430-Q433 PolarHBondContact O-N 3.28Å; G430-Q433 VanDerWaalsContact O-N 3.17Å
431T83.5Confident82.1Confident124 Ų12483.1 Ų83.176%0.76146%0.46SS*.THydrogen-bonded Turntrans-64.5-24-17252.10000114.5
432C88.7Confident80.3Confident4 Ų478 Ų783%0.02744%0.439CS..THydrogen-bonded Turntrans-104.416.6179.4-62.30000113.1L412 C413 H426 F427 G430 G434 Q435L412-C432 HydrophobicContact CD1-CB 4.49Å; C413-C432 VanDerWaalsContact SG-SG 3.65Å; H426-C432 WeakPolarHBondContact NE2-CB 3.41Å; F427-C432 HydrophobicContact CD1-CB 4.37Å; G430-C432 PolarHBondContact O-N 2.79Å; C432-G434 PolarHBondContact O-N 3.48Å; C432-Q435 PolarHBondContact O-N 3.36Å; C432-Q435 VanDerWaalsContact O-N 3.11Å
433Q88.8Confident77.8Confident117 Ų11781.9 Ų81.955%0.54745%0.454SS..THydrogen-bonded Turntrans-58.1130.6-179.8-179.9172.42.100111.6F427 S428 G430 Q435F427-Q433 WeakPolarHBondContact O-CA 3.36Å; S428-Q433 VanDerWaalsContact O-CD 3.25Å; S428-Q433 WeakPolarHBondContact O-CG 3.35Å; S428-Q433 PolarHBondContact O-NE2 3.26Å; G430-Q433 VanDerWaalsContact O-CB 3.29Å; G430-Q433 WeakPolarHBondContact O-CB 3.27Å; G430-Q433 PolarHBondContact O-N 3.28Å; G430-Q433 VanDerWaalsContact O-N 3.17Å; Q433-Q435 PolarHBondContact O-N 2.85Å
434G86.8Confident75.6Confident69 Ų6990.7 Ų90.771%0.71149%0.491SS*.THydrogen-bonded Turntrans73.9-2.2-179.800000114.9F427 C432 L436F427-G434 PolarHBondContact O-N 3.34Å; C432-G434 PolarHBondContact O-N 3.48Å; G434-L436 PolarHBondContact O-N 2.81Å
435Q89Confident73Confident85 Ų8599.1 Ų99.140%0.39752%0.522SS..  trans-10034.8-178.2-58.5-176.7-29.800112.1N398 L412 C432 Q433 W437 T438N398-Q435 PolarHBondContact ND2-O 2.89Å; L412-Q435 HydrophobicContact CD1-CB 3.62Å; L412-Q435 HydrophobicContact CD1-CG 4.48Å; L412-Q435 VanDerWaalsContact CD1-OE1 3.3Å; C432-Q435 PolarHBondContact O-N 3.36Å; C432-Q435 VanDerWaalsContact O-N 3.11Å; Q433-Q435 PolarHBondContact O-N 2.85Å; Q435-W437 PolarHBondContact O-N 2.84Å; Q435-T438 HydrophobicContact CB-CG2 4.18Å
436L88.3Confident72.2Confident39 Ų39101.9 Ų101.920%0.20453%0.533CS..SBendtrans-63.5-34.8175.1-178.560.1000111.1C397 N398 K399 Y424 F427 G434C397-L436 CarbonylContact C-O 3.6Å; C397-L436 VanDerWaalsContact CA-O 3.22Å; C397-L436 WeakPolarHBondContact CA-O 3.29Å; C397-L436 HydrophobicContact CB-CD1 3.71Å; C397-L436 HydrophobicContact CB-CG 3.92Å; C397-L436 VanDerWaalsContact CB-O 3.29Å; C397-L436 WeakPolarHBondContact CB-O 3.25Å; N398-L436 PolarHBondContact N-O 3.5Å; K399-L436 HydrophobicContact CB-CD1 4.41Å; Y424-L436 HydrophobicContact CD1-CD1 3.82Å; Y424-L436 HydrophobicContact CD1-CD2 4.03Å; Y424-L436 HydrophobicContact CE1-CD1 4.16Å; Y424-L436 HydrophobicContact CE1-CD2 4.39Å; F427-L436 HydrophobicContact CB-CB 4.16Å; F427-L436 HydrophobicContact CB-CD1 4.43Å; F427-L436 HydrophobicContact CD1-CB 4.23Å; F427-L436 HydrophobicContact CD1-CD1 4.14Å; F427-L436 HydrophobicContact CD2-CD1 3.73Å; F427-L436 HydrophobicContact CE1-CD1 4.34Å; F427-L436 HydrophobicContact CE2-CD1 3.97Å; F427-L436 HydrophobicContact CG-CB 4.18Å; F427-L436 HydrophobicContact CG-CD1 3.82Å; F427-L436 HydrophobicContact CZ-CD1 4.27Å; G434-L436 PolarHBondContact O-N 2.81Å
437W85.9Confident71.4Confident178 Ų178105.9 Ų105.967%0.67455%0.554SS**  trans-118.9121.4177.5-53.398.5000108.9C397 Q435C397-W437 HydrophobicContact CB-CD2 4Å; C397-W437 HydrophobicContact CB-CE3 3.76Å; C397-W437 HydrophobicContact CB-CH2 3.76Å; C397-W437 HydrophobicContact CB-CZ2 3.98Å; C397-W437 HydrophobicContact CB-CZ3 3.65Å; C397-W437 VanDerWaalsContact N-CZ3 3.27Å; Q435-W437 PolarHBondContact O-N 2.84Å
438T78.8Confident70.3Confident50 Ų50111.2 Ų111.231%0.30758%0.583SS.*  trans-137.5135.2169.359.40000107.4K393 N398 Q435 N440K393-T438 PolarHBondContact NZ-O 3.44Å; N398-T438 WeakPolarHBondContact ND2-CG2 3.4Å; N398-T438 PolarHBondContact ND2-OG1 2.94Å; N398-T438 PolarHBondContact OD1-OG1 3.38Å; Q435-T438 HydrophobicContact CB-CG2 4.18Å; T438-N440 PolarHBondContact O-N 3.49Å
439D66.4Low69.3Low158 Ų158113.6 Ų113.685%0.84559%0.588SS**  trans-61.2135.9178.1-68.7-32.2000110.2T441D439-T441 PolarHBondContact O-N 2.98Å
440N57.7Low68.6Low56 Ų56113.1 Ų113.130%0.29958%0.584SS.*  trans-79.4103.6166.6-78.4-5000106.7K393 I394 T438 I442K393-N440 WeakPolarHBondContact CD-OD1 3.36Å; K393-N440 WeakPolarHBondContact CE-OD1 3.4Å; K393-N440 PolarHBondContact NZ-OD1 3.4Å; K393-N440 PolarHBondContact O-ND2 3.3Å; I394-N440 PolarHBondContact O-ND2 3.16Å; T438-N440 PolarHBondContact O-N 3.49Å; N440-I442 HydrophobicContact CB-CG1 4.45Å; N440-I442 PolarHBondContact O-N 3.38Å
441T47.9Very low67.9Low139 Ų139117 Ų11785%0.85359%0.586SS**  trans-72.767.3168.3500000109.4D439D439-T441 PolarHBondContact O-N 2.98Å
442I48.5Very low66.8Low84 Ų84116.5 Ų116.543%0.43157%0.573SS.*  trans-110.790.6167.5-54.3177000105.3N440 F444N440-I442 HydrophobicContact CB-CG1 4.45Å; N440-I442 PolarHBondContact O-N 3.38Å; I442-F444 PolarHBondContact O-N 3.49Å
443E33.9Very low65.1Low160 Ų160125.2 Ų125.275%0.74862%0.615SS**  trans-61108.4164-73.6-175.2168.600107R445E443-R445 VanDerWaalsContact C-N 3.32Å; E443-R445 PolarHBondContact O-N 3.06Å
444F40.4Very low63.1Low201 Ų201125.8 Ų125.888%0.88262%0.621SS**  trans-63.7100.2162.1-71.6-86.1000106.6I442I442-F444 PolarHBondContact O-N 3.49Å
445R33.7Very low61Low291 Ų291131 Ų131100%1.09861%0.613SS**  trans-79.70166.4-83.2-170.7177.4-178.80.4110.8E443E443-R445 VanDerWaalsContact C-N 3.32Å; E443-R445 PolarHBondContact O-N 3.06Å

Retrieved 445 of 445 residues in 259.9 ms (Link to these results)

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