A0A096MM07_PAPAN Loading...

RING finger protein 150

AlphaFold DB (A0A2K6QJF5), UniProt , Accession A0A096MM07, Species PAPAN (Papio anubis, Olive baboon), Gene RNF150, Length 438 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low57.2Low206 Ų206105.5 Ų105.5100%1.01561%0.611SS**  0-40.20-82.9-175.6-85.900114.5M3 S4M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.34Å; M1-M3 VanDerWaalsContact O-N 3.09Å; M1-S4 PolarHBondContact O-N 3.42Å; M1-S4 PolarHBondContact O-OG 2.92Å
2A46.2Very low58.4Low70 Ų70105.8 Ų105.858%0.57961%0.608SS**Hα-helixtrans-54.7-32.5-17000000116.8S4 L5 I6A2-S4 PolarHBondContact O-N 2.93Å; A2-L5 PolarHBondContact O-N 3.49Å; A2-I6 PolarHBondContact O-N 3.06Å
3M45.4Very low59.4Low154 Ų154101.4 Ų101.476%0.75959%0.592SS**Hα-helixtrans-62.9-35.4-178.8-68.4-177.273.800113.8M1 L5 I6 Q7M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.34Å; M1-M3 VanDerWaalsContact O-N 3.09Å; M3-L5 VanDerWaalsContact C-N 3.33Å; M3-L5 PolarHBondContact O-N 3.38Å; M3-I6 PolarHBondContact O-N 3.12Å; M3-Q7 PolarHBondContact O-N 3.11Å
4S54.9Low60.5Low80 Ų80102.4 Ų102.456%0.55959%0.593SS**Hα-helixtrans-68.7-33.3179.660.70000112.2M1 A2 A8M1-S4 PolarHBondContact O-N 3.42Å; M1-S4 PolarHBondContact O-OG 2.92Å; A2-S4 PolarHBondContact O-N 2.93Å; S4-A8 WeakPolarHBondContact O-CB 3.46Å; S4-A8 PolarHBondContact O-N 2.9Å
5L53.7Low61.4Low118 Ų11898.7 Ų98.762%0.61858%0.575SS**Hα-helixtrans-65.4-41.7173.6-88.6159.4000112.1A2 M3 C9A2-L5 PolarHBondContact O-N 3.49Å; M3-L5 VanDerWaalsContact C-N 3.33Å; M3-L5 PolarHBondContact O-N 3.38Å; L5-C9 WeakPolarHBondContact O-CB 3.09Å; L5-C9 PolarHBondContact O-N 2.87Å; L5-C9 PolarHBondContact O-SG 2.64Å
6I59.9Low62.4Low112 Ų11298 Ų9857%0.57457%0.573SS**Hα-helixtrans-64.6-47177-62.6169.4000110.1A2 M3 C9 C10A2-I6 PolarHBondContact O-N 3.06Å; M3-I6 PolarHBondContact O-N 3.12Å; I6-C9 PolarHBondContact O-N 2.87Å; I6-C10 PolarHBondContact O-N 2.93Å; I6-C10 PolarHBondContact O-SG 3.19Å
7Q58Low63.4Low149 Ų149101.2 Ų101.270%0.69657%0.573SS**Hα-helixtrans-67.4-36.9-179.6-168.3162.7-2000112.4M3 C10 S11M3-Q7 PolarHBondContact O-N 3.11Å; Q7-C10 PolarHBondContact O-N 3.21Å; Q7-S11 WeakPolarHBondContact O-CB 3.3Å; Q7-S11 PolarHBondContact O-N 2.99Å
8A64.4Low64.1Low46 Ų46101.2 Ų101.238%0.3857%0.571SS.*Hα-helixtrans-62.8-47.1171.100000111.9S4 C10 S11 L12S4-A8 WeakPolarHBondContact O-CB 3.46Å; S4-A8 PolarHBondContact O-N 2.9Å; A8-C10 VanDerWaalsContact C-N 3.35Å; A8-C10 PolarHBondContact O-N 2.96Å; A8-S11 PolarHBondContact O-N 3.28Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 2.69Å
9C65.5Low64.8Low78 Ų78102.3 Ų102.353%0.52757%0.574SS.*Hα-helixtrans-60.7-40.5176.3-76.10000112.6L5 I6 L12 A13L5-C9 WeakPolarHBondContact O-CB 3.09Å; L5-C9 PolarHBondContact O-N 2.87Å; L5-C9 PolarHBondContact O-SG 2.64Å; I6-C9 PolarHBondContact O-N 2.87Å; C9-L12 PolarHBondContact O-N 3.05Å; C9-A13 VanDerWaalsContact O-CB 3.3Å; C9-A13 WeakPolarHBondContact O-CB 3.41Å; C9-A13 PolarHBondContact O-N 3.06Å
10C66.6Low65.4Low69 Ų6999.8 Ų99.847%0.46656%0.564SS.*Hα-helixtrans-64.5-41173.5-71.80000112.3I6 Q7 A8 A13 L14I6-C10 PolarHBondContact O-N 2.93Å; I6-C10 PolarHBondContact O-SG 3.19Å; Q7-C10 PolarHBondContact O-N 3.21Å; A8-C10 VanDerWaalsContact C-N 3.35Å; A8-C10 PolarHBondContact O-N 2.96Å; C10-A13 PolarHBondContact O-N 2.81Å; C10-L14 WeakPolarHBondContact O-CB 3.13Å; C10-L14 PolarHBondContact O-N 3.23Å
11S69.6Low65.9Low79 Ų79100 Ų10055%0.55256%0.558SS**Hα-helixtrans-66.7-40.6176.7-166.40000112.4Q7 A8 L14 S15Q7-S11 WeakPolarHBondContact O-CB 3.3Å; Q7-S11 PolarHBondContact O-N 2.99Å; A8-S11 PolarHBondContact O-N 3.28Å; S11-L14 PolarHBondContact O-N 2.99Å; S11-S15 WeakPolarHBondContact O-CB 3.36Å; S11-S15 PolarHBondContact O-N 3.1Å; S11-S15 PolarHBondContact O-OG 3.46Å
12L70.9Confident67.4Low109 Ų10993.3 Ų93.357%0.57153%0.531SS*.Hα-helixtrans-63.1-47.9174.4-85.6153.3000110.9A8 C9 L14 S15 T16A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 2.69Å; C9-L12 PolarHBondContact O-N 3.05Å; L12-L14 PolarHBondContact O-N 3.1Å; L12-S15 WeakPolarHBondContact CA-OG 3.24Å; L12-S15 PolarHBondContact O-N 2.77Å; L12-S15 VanDerWaalsContact O-N 3.16Å; L12-S15 PolarHBondContact O-OG 3.1Å; L12-T16 PolarHBondContact O-N 2.82Å; L12-T16 PolarHBondContact O-OG1 3.35Å
13A71.5Confident68.7Low48 Ų4896.2 Ų96.240%0.39753%0.531SS..Hα-helixtrans-60.6-42176.600000112.6C9 C10 T16 W17C9-A13 VanDerWaalsContact O-CB 3.3Å; C9-A13 WeakPolarHBondContact O-CB 3.41Å; C9-A13 PolarHBondContact O-N 3.06Å; C10-A13 PolarHBondContact O-N 2.81Å; A13-T16 PolarHBondContact O-OG1 3.12Å; A13-W17 WeakPolarHBondContact O-CB 2.99Å; A13-W17 PolarHBondContact O-N 2.76Å
14L75.3Confident70Confident115 Ų11590.3 Ų90.360%0.60250%0.504SS*.Hα-helixtrans-62.7-42.9173-85.7162.2000111.9C10 S11 L12 W17 L18C10-L14 WeakPolarHBondContact O-CB 3.13Å; C10-L14 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 2.99Å; L12-L14 PolarHBondContact O-N 3.1Å; L14-W17 PolarHBondContact O-N 2.83Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.33Å
15S74.1Confident70.6Confident48 Ų4891.3 Ų91.334%0.33650%0.499SS..Hα-helixtrans-64.7-40.9179.872.70000112.9S11 L12 L18 L19S11-S15 WeakPolarHBondContact O-CB 3.36Å; S11-S15 PolarHBondContact O-N 3.1Å; S11-S15 PolarHBondContact O-OG 3.46Å; L12-S15 WeakPolarHBondContact CA-OG 3.24Å; L12-S15 PolarHBondContact O-N 2.77Å; L12-S15 VanDerWaalsContact O-N 3.16Å; L12-S15 PolarHBondContact O-OG 3.1Å; S15-L18 PolarHBondContact O-N 3.29Å; S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 VanDerWaalsContact O-CG 3.26Å; S15-L19 WeakPolarHBondContact O-CG 3.38Å; S15-L19 PolarHBondContact O-N 2.79Å
16T77.4Confident71.2Confident87 Ų8790.4 Ų90.453%0.53450%0.495SS..Hα-helixtrans-72.9-32.7177.654.70000112.1L12 A13 S20L12-T16 PolarHBondContact O-N 2.82Å; L12-T16 PolarHBondContact O-OG1 3.35Å; A13-T16 PolarHBondContact O-OG1 3.12Å; T16-S20 VanDerWaalsContact O-CB 3.23Å; T16-S20 WeakPolarHBondContact O-CB 3.47Å; T16-S20 PolarHBondContact O-N 2.58Å
17W78.7Confident71.3Confident152 Ų15288.3 Ų88.358%0.57648%0.484SS*.Hα-helixtrans-67.4-43.1173.2-143.582.5000111.7A13 L14 S20 F21A13-W17 WeakPolarHBondContact O-CB 2.99Å; A13-W17 PolarHBondContact O-N 2.76Å; L14-W17 PolarHBondContact O-N 2.83Å; W17-S20 PolarHBondContact O-N 3.03Å; W17-F21 WeakPolarHBondContact O-CB 3.46Å; W17-F21 PolarHBondContact O-N 3.39Å
18L76.8Confident71.4Confident101 Ų10182.9 Ų82.953%0.52946%0.462SS..Hα-helixtrans-65.9-41.9174.7-73.4169.2000112.3L14 S15 F21 C22L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.33Å; S15-L18 PolarHBondContact O-N 3.29Å; L18-F21 PolarHBondContact O-N 2.76Å; L18-C22 WeakPolarHBondContact O-CB 3.36Å; L18-C22 PolarHBondContact O-N 3.38Å; L18-C22 PolarHBondContact O-SG 2.91Å
19L76.3Confident71.1Confident123 Ų12385.4 Ų85.464%0.64447%0.469SS*.Hα-helixtrans-64.3-42.5175-76.7166.9000111.8S15 C22 F23S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 VanDerWaalsContact O-CG 3.26Å; S15-L19 WeakPolarHBondContact O-CG 3.38Å; S15-L19 PolarHBondContact O-N 2.79Å; L19-C22 PolarHBondContact O-N 2.8Å; L19-F23 VanDerWaalsContact O-CB 3.29Å; L19-F23 WeakPolarHBondContact O-CB 3.2Å; L19-F23 PolarHBondContact O-N 2.92Å
20S77.6Confident70.6Confident52 Ų5287 Ų8736%0.36447%0.472SS..Hα-helixtrans-61.1-47.3173.8-176.10000111.3T16 W17 C22 F23 V24T16-S20 VanDerWaalsContact O-CB 3.23Å; T16-S20 WeakPolarHBondContact O-CB 3.47Å; T16-S20 PolarHBondContact O-N 2.58Å; W17-S20 PolarHBondContact O-N 3.03Å; S20-C22 PolarHBondContact O-N 2.9Å; S20-F23 PolarHBondContact O-N 2.88Å; S20-V24 WeakPolarHBondContact O-CB 3.38Å; S20-V24 WeakPolarHBondContact O-CG2 3.19Å; S20-V24 PolarHBondContact O-N 2.86Å
21F76.1Confident69.8Low103 Ų10388.5 Ų88.545%0.45247%0.471SS..Hα-helixtrans-59.9-44.7176.3-175.5-95.2000112.2W17 L18 V24 H25W17-F21 WeakPolarHBondContact O-CB 3.46Å; W17-F21 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 2.76Å; F21-V24 PolarHBondContact O-N 2.86Å; F21-H25 AromaticContact CE1-CD2 3.55Å; F21-H25 AromaticContact CZ-CD2 3.54Å; F21-H25 AromaticContact CZ-NE2 3.86Å; F21-H25 WeakPolarHBondContact O-CB 3.24Å; F21-H25 PolarHBondContact O-N 3.21Å
22C75.9Confident69Low66 Ų6689.2 Ų89.245%0.44647%0.472SS..Hα-helixtrans-65.7-42.7177.2-66.80000112.3L18 L19 S20 V24 H25 L26L18-C22 WeakPolarHBondContact O-CB 3.36Å; L18-C22 PolarHBondContact O-N 3.38Å; L18-C22 PolarHBondContact O-SG 2.91Å; L19-C22 PolarHBondContact O-N 2.8Å; S20-C22 PolarHBondContact O-N 2.9Å; C22-V24 VanDerWaalsContact C-N 3.33Å; C22-V24 PolarHBondContact O-N 2.79Å; C22-H25 PolarHBondContact O-N 2.94Å; C22-L26 WeakPolarHBondContact O-CB 3.31Å; C22-L26 WeakPolarHBondContact O-CG 3.3Å; C22-L26 PolarHBondContact O-N 3.42Å
23F73.4Confident68.1Low132 Ų13289.4 Ų89.458%0.57948%0.477SS*.Hα-helixtrans-63.4-39.8177.5-173.2-108.5000111.7L19 S20 L26 L27L19-F23 VanDerWaalsContact O-CB 3.29Å; L19-F23 WeakPolarHBondContact O-CB 3.2Å; L19-F23 PolarHBondContact O-N 2.92Å; S20-F23 PolarHBondContact O-N 2.88Å; F23-L26 PolarHBondContact O-N 3.05Å; F23-L27 HydrophobicContact CD1-CD1 3.88Å; F23-L27 HydrophobicContact CD1-CG 4.49Å; F23-L27 HydrophobicContact CE1-CD1 3.52Å; F23-L27 HydrophobicContact CE1-CG 4.25Å; F23-L27 HydrophobicContact CZ-CD1 4.06Å; F23-L27 HydrophobicContact CZ-CG 4.41Å; F23-L27 WeakPolarHBondContact O-CB 3.34Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 2.89Å
24V72.7Confident67.2Low29 Ų2988.5 Ų88.518%0.17647%0.47CS..Hα-helixtrans-67.6-40.7174.21720000111S20 F21 C22 L26 L27 C28 L219S20-V24 WeakPolarHBondContact O-CB 3.38Å; S20-V24 WeakPolarHBondContact O-CG2 3.19Å; S20-V24 PolarHBondContact O-N 2.86Å; F21-V24 PolarHBondContact O-N 2.86Å; C22-V24 VanDerWaalsContact C-N 3.33Å; C22-V24 PolarHBondContact O-N 2.79Å; V24-L26 VanDerWaalsContact C-N 3.34Å; V24-L26 PolarHBondContact O-N 3.26Å; V24-L27 PolarHBondContact O-N 3.36Å; V24-C28 WeakPolarHBondContact O-CB 3.45Å; V24-C28 PolarHBondContact O-N 3.24Å; V24-C28 PolarHBondContact O-SG 3.01Å; V24-L219 HydrophobicContact CB-CD1 4.13Å; V24-L219 HydrophobicContact CG1-CD1 3.74Å; V24-L219 HydrophobicContact CG2-CD1 3.45Å; V24-L219 VanDerWaalsContact CG2-CD1 3.45Å
25H68.9Low66.3Low101 Ų10191.4 Ų91.447%0.46848%0.481SS..Hα-helixtrans-63.3-38.5174.3-120.7-76.8000112.7F21 C22 C28 L29F21-H25 AromaticContact CE1-CD2 3.55Å; F21-H25 AromaticContact CZ-CD2 3.54Å; F21-H25 AromaticContact CZ-NE2 3.86Å; F21-H25 WeakPolarHBondContact O-CB 3.24Å; F21-H25 PolarHBondContact O-N 3.21Å; C22-H25 PolarHBondContact O-N 2.94Å; H25-C28 PolarHBondContact O-N 3.48Å; H25-L29 VanDerWaalsContact O-CG 3.26Å; H25-L29 WeakPolarHBondContact O-CG 3.32Å; H25-L29 PolarHBondContact O-N 3.46Å
26L64.9Low65.6Low99 Ų9994.9 Ų94.952%0.51849%0.489SS..Hα-helixtrans-66-49.5175-74161.5000111C22 F23 V24 C28 L29 D30C22-L26 WeakPolarHBondContact O-CB 3.31Å; C22-L26 WeakPolarHBondContact O-CG 3.3Å; C22-L26 PolarHBondContact O-N 3.42Å; F23-L26 PolarHBondContact O-N 3.05Å; V24-L26 VanDerWaalsContact C-N 3.34Å; V24-L26 PolarHBondContact O-N 3.26Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 3.13Å; L26-L29 WeakPolarHBondContact O-CB 3.42Å; L26-L29 PolarHBondContact O-N 3.41Å; L26-D30 PolarHBondContact O-N 3.15Å
27L63.5Low65.3Low69 Ų6993.8 Ų93.836%0.36148%0.478SS..Hα-helixtrans-57.9-38.7174.4-73.7176.5000112.5F23 V24 F31F23-L27 HydrophobicContact CD1-CD1 3.88Å; F23-L27 HydrophobicContact CD1-CG 4.49Å; F23-L27 HydrophobicContact CE1-CD1 3.52Å; F23-L27 HydrophobicContact CE1-CG 4.25Å; F23-L27 HydrophobicContact CZ-CD1 4.06Å; F23-L27 HydrophobicContact CZ-CG 4.41Å; F23-L27 WeakPolarHBondContact O-CB 3.34Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 2.89Å; V24-L27 PolarHBondContact O-N 3.36Å; L27-F31 WeakPolarHBondContact O-CB 3.43Å; L27-F31 PolarHBondContact O-N 2.98Å
28C59.4Low65.7Low34 Ų3489.2 Ų89.223%0.2346%0.464CS..Hα-helixtrans-64.1-41.5173.1-71.70000112.3V24 H25 L26 T32 V212V24-C28 WeakPolarHBondContact O-CB 3.45Å; V24-C28 PolarHBondContact O-N 3.24Å; V24-C28 PolarHBondContact O-SG 3.01Å; H25-C28 PolarHBondContact O-N 3.48Å; L26-C28 VanDerWaalsContact C-N 3.27Å; L26-C28 PolarHBondContact O-N 3.13Å; C28-T32 VanDerWaalsContact O-CG2 3.28Å; C28-T32 WeakPolarHBondContact O-CG2 3.46Å; C28-T32 PolarHBondContact O-N 3.24Å; C28-T32 VanDerWaalsContact O-N 3.16Å; C28-T32 PolarHBondContact O-OG1 3.44Å; C28-V212 HydrophobicContact CB-CG2 4.46Å
29L58.9Low66.4Low100 Ų10086 Ų8652%0.52444%0.444SS..Hα-helixtrans-65.7-49.3177.8-74.2164.6000111.1H25 L26 F31 T32H25-L29 VanDerWaalsContact O-CG 3.26Å; H25-L29 WeakPolarHBondContact O-CG 3.32Å; H25-L29 PolarHBondContact O-N 3.46Å; L26-L29 WeakPolarHBondContact O-CB 3.42Å; L26-L29 PolarHBondContact O-N 3.41Å; L29-F31 PolarHBondContact O-N 3.4Å; L29-T32 PolarHBondContact O-N 3.17Å; L29-T32 PolarHBondContact O-OG1 3.4Å
30D55.1Low67.3Low110 Ų11082.4 Ų82.459%0.58842%0.423SS*.Hα-helixtrans-61.8-42.1178.5-70.3-39.7000111.8L26 T32 V33L26-D30 PolarHBondContact O-N 3.15Å; D30-T32 PolarHBondContact O-N 2.92Å; D30-V33 WeakPolarHBondContact O-CB 3.41Å; D30-V33 WeakPolarHBondContact O-CG2 3.37Å; D30-V33 PolarHBondContact O-N 2.87Å; D30-V33 VanDerWaalsContact O-N 3.07Å
31F49.6Very low68.2Low102 Ų10280.7 Ų80.745%0.44741%0.41SS..THydrogen-bonded Turntrans-71-8.7173.9-98.3-75.8000115L27 L29 S208 F211L27-F31 WeakPolarHBondContact O-CB 3.43Å; L27-F31 PolarHBondContact O-N 2.98Å; L29-F31 PolarHBondContact O-N 3.4Å; F31-S208 PolarHBondContact O-OG 3.09Å; F31-F211 HydrophobicContact CD2-CD1 4.37Å; F31-F211 HydrophobicContact CD2-CE1 4.41Å; F31-F211 HydrophobicContact CE2-CD1 4.22Å; F31-F211 HydrophobicContact CE2-CE1 4.06Å
32T52.5Low69.3Low93 Ų9375.8 Ų75.857%0.57139%0.388SS*.THydrogen-bonded Turntrans-89.9-1.7168.659.10000113.8C28 L29 D30 A34C28-T32 VanDerWaalsContact O-CG2 3.28Å; C28-T32 WeakPolarHBondContact O-CG2 3.46Å; C28-T32 PolarHBondContact O-N 3.24Å; C28-T32 VanDerWaalsContact O-N 3.16Å; C28-T32 PolarHBondContact O-OG1 3.44Å; L29-T32 PolarHBondContact O-N 3.17Å; L29-T32 PolarHBondContact O-OG1 3.4Å; D30-T32 PolarHBondContact O-N 2.92Å; T32-A34 PolarHBondContact O-N 3.07Å
33V51.4Low70.3Confident113 Ų11375.1 Ų75.169%0.68538%0.378SS*.  trans-73.877.3167.8-1730000109.1D30 E35D30-V33 WeakPolarHBondContact O-CB 3.41Å; D30-V33 WeakPolarHBondContact O-CG2 3.37Å; D30-V33 PolarHBondContact O-N 2.87Å; D30-V33 VanDerWaalsContact O-N 3.07Å; V33-E35 PolarHBondContact O-N 3.4Å
34A53.1Low71.5Confident29 Ų2968.9 Ų68.924%0.2435%0.351CS..  trans-55.5133.2172.700000111T32 K36 Y203T32-A34 PolarHBondContact O-N 3.07Å; A34-K36 PolarHBondContact O-N 3.04Å; A34-Y203 WeakPolarHBondContact CB-O 3.46Å
35E55.8Low72.7Confident177 Ų17769.1 Ų69.183%0.82735%0.351SS*.  trans-57.4125.7167.5-71.9-175136.700109.3V33 E37V33-E35 PolarHBondContact O-N 3.4Å; E35-E37 PolarHBondContact O-N 2.97Å
36K59.3Low74Confident120 Ų12064.4 Ų64.452%0.52233%0.329SS..EExtended strand (participates in β ladder)trans-92.783-170.1178.9-155.7162.1-152.20108.4A34 E38 L200A34-K36 PolarHBondContact O-N 3.04Å; K36-E38 WeakPolarHBondContact CE-OE2 3.26Å; K36-E38 IonicContact NZ-OE2 3.16Å; K36-E38 PolarHBondContact NZ-OE2 3.07Å; K36-E38 PolarHBondContact O-N 3.49Å; K36-L200 HydrophobicContact CD-CD1 4.17Å; K36-L200 HydrophobicContact CG-CD1 3.83Å; K36-L200 HydrophobicContact CG-CD2 4.45Å; K36-L200 HydrophobicContact CG-CG 4.22Å
37E70.8Confident75.5Confident65 Ų6561.4 Ų61.430%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-67.6103.5171.1-159.2-163.5150.200108.8E35 R76 T157 Q201 Y203E35-E37 PolarHBondContact O-N 2.97Å; E37-R76 IonicContact OE1-NH2 3.06Å; E37-R76 PolarHBondContact OE1-NH2 3.3Å; E37-T157 PolarHBondContact OE1-OG1 3.45Å; E37-Q201 PolarHBondContact O-N 3.06Å; E37-Q201 VanDerWaalsContact O-N 3.13Å; E37-Y203 HydrophobicContact CB-CD2 4.22Å; E37-Y203 HydrophobicContact CB-CE2 4Å; E37-Y203 WeakPolarHBondContact OE2-CE2 3.27Å
38E87.5Confident77Confident56 Ų5660.3 Ų60.326%0.26231%0.306SS..EExtended strand (participates in β ladder)trans-99.9119.1174.8-177.7175.8145.200109.1K36 Y40 R198 L200K36-E38 WeakPolarHBondContact CE-OE2 3.26Å; K36-E38 IonicContact NZ-OE2 3.16Å; K36-E38 PolarHBondContact NZ-OE2 3.07Å; K36-E38 PolarHBondContact O-N 3.49Å; E38-Y40 HydrophobicContact CG-CE2 4.02Å; E38-Y40 WeakPolarHBondContact OE1-CE2 3.46Å; E38-Y40 PolarHBondContact OE1-OH 2.86Å; E38-R198 VanDerWaalsContact CD-NE 3.29Å; E38-R198 HydrophobicContact CG-CG 4.46Å; E38-R198 IonicContact OE1-CZ 3.89Å; E38-R198 IonicContact OE1-NE 2.75Å; E38-R198 PolarHBondContact OE1-NE 3.29Å; E38-R198 IonicContact OE1-NH2 3.14Å; E38-R198 PolarHBondContact OE1-NH2 3.47Å; E38-R198 IonicContact OE2-CZ 3.5Å; E38-R198 IonicContact OE2-NE 2.69Å; E38-R198 IonicContact OE2-NH2 2.76Å; E38-R198 PolarHBondContact OE2-NH2 3.35Å; E38-L200 HydrophobicContact CB-CD1 3.75Å; E38-L200 HydrophobicContact CG-CD1 3.83Å
39W91.4Very high78.5Confident34 Ų3460.9 Ų60.913%0.12931%0.313CS..EExtended strand (participates in β ladder)trans-138.6160.3-179.263.1-91.7000110.9T41 R76 N199W39-T41 HydrophobicContact CH2-CG2 4.17Å; W39-T41 HydrophobicContact CZ3-CG2 3.57Å; W39-R76 HydrophobicContact CD2-CG 4.48Å; W39-R76 HydrophobicContact CE3-CG 3.71Å; W39-R76 HydrophobicContact CZ3-CG 4.1Å; W39-N199 HydrophobicContact CD2-CB 3.71Å; W39-N199 VanDerWaalsContact CE2-CB 3.41Å; W39-N199 HydrophobicContact CE3-CB 4.06Å; W39-N199 HydrophobicContact CG-CB 4.31Å; W39-N199 HydrophobicContact CH2-CB 3.93Å; W39-N199 HydrophobicContact CZ2-CB 3.54Å; W39-N199 HydrophobicContact CZ3-CB 4.18Å; W39-N199 PolarHBondContact N-O 2.87Å; W39-N199 VanDerWaalsContact N-O 3.15Å; W39-N199 PolarHBondContact O-N 3.23Å
40Y95.4Very high79.7Confident47 Ų4759 Ų5918%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-124132.4-174-68.3-107.1000108.8E38 R76 Y77 K83 I195 R198E38-Y40 HydrophobicContact CG-CE2 4.02Å; E38-Y40 WeakPolarHBondContact OE1-CE2 3.46Å; E38-Y40 PolarHBondContact OE1-OH 2.86Å; Y40-R76 WeakPolarHBondContact O-CA 3.49Å; Y40-Y77 PolarHBondContact O-N 3.28Å; Y40-K83 HydrophobicContact CD2-CD 4.1Å; Y40-K83 HydrophobicContact CD2-CG 4.4Å; Y40-K83 HydrophobicContact CG-CD 4.2Å; Y40-I195 HydrophobicContact CD1-CG2 4.35Å; Y40-R198 HydrophobicContact CD1-CB 4.01Å; Y40-R198 HydrophobicContact CD1-CG 4.32Å; Y40-R198 HydrophobicContact CE1-CB 3.68Å; Y40-R198 HydrophobicContact CE1-CG 3.69Å; Y40-R198 HydrophobicContact CE2-CG 4.26Å; Y40-R198 WeakPolarHBondContact OH-CD 3.29Å; Y40-R198 PolarHBondContact OH-NE 3.13Å
41T96.9Very high80.8Confident15 Ų1558 Ų589%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-71.5166.9164.259.60000110W39 E73 G75 Y77 G196 T197W39-T41 HydrophobicContact CH2-CG2 4.17Å; W39-T41 HydrophobicContact CZ3-CG2 3.57Å; T41-E73 WeakPolarHBondContact CB-OE1 3.45Å; T41-E73 HydrophobicContact CG2-CG 4.39Å; T41-E73 PolarHBondContact OG1-OE1 2.84Å; T41-G75 CarbonylContact C-O 3.4Å; T41-G75 WeakPolarHBondContact CA-O 3.14Å; T41-G75 WeakPolarHBondContact CB-O 3.19Å; T41-Y77 VanDerWaalsContact O-CD2 3.3Å; T41-Y77 WeakPolarHBondContact O-CD2 3.47Å; T41-Y77 WeakPolarHBondContact O-CE2 3.44Å; T41-G196 WeakPolarHBondContact O-CA 3.33Å; T41-G196 PolarHBondContact O-N 2.66Å; T41-G196 VanDerWaalsContact OG1-CA 3.32Å; T41-G196 WeakPolarHBondContact OG1-CA 3.3Å; T41-T197 PolarHBondContact N-O 3.47Å; T41-T197 PolarHBondContact OG1-N 2.97Å; T41-T197 PolarHBondContact OG1-O 3.28Å; T41-T197 PolarHBondContact OG1-OG1 2.84Å
42A97.9Very high81.9Confident0 Ų055.7 Ų55.70%030%0.301CS..EExtended strand (participates in β ladder)trans-126.2137166.900000109.6G75 Y77 I169 I193 T194A42-G75 PolarHBondContact N-O 3.4Å; A42-G75 WeakPolarHBondContact O-CA 3.41Å; A42-G75 PolarHBondContact O-N 2.68Å; A42-Y77 HydrophobicContact CB-CD2 3.84Å; A42-Y77 HydrophobicContact CB-CE2 3.44Å; A42-Y77 VanDerWaalsContact CB-CE2 3.44Å; A42-I169 HydrophobicContact CB-CD1 4.23Å; A42-I169 HydrophobicContact CB-CG2 4.02Å; A42-I193 HydrophobicContact CB-CG2 3.97Å; A42-T194 CarbonylContact C-O 3.6Å; A42-T194 WeakPolarHBondContact CA-O 3.14Å
43F98.1Very high82.7Confident53 Ų5356.9 Ų56.923%0.23231%0.31CS..EExtended strand (participates in β ladder)trans-75.5126.6162.1-69.1-82.2000108.9K71 T72 E73 I193 T194F43-K71 VanDerWaalsContact CB-CE 3.43Å; F43-K71 HydrophobicContact CB-CG 4.38Å; F43-K71 HydrophobicContact CD1-CD 4.41Å; F43-K71 HydrophobicContact CD1-CG 4.26Å; F43-T72 CarbonylContact C-O 3.54Å; F43-T72 WeakPolarHBondContact CA-O 3.39Å; F43-E73 HydrophobicContact CD1-CB 3.7Å; F43-E73 HydrophobicContact CD1-CG 3.96Å; F43-E73 HydrophobicContact CE1-CB 3.58Å; F43-E73 HydrophobicContact CE1-CG 3.8Å; F43-E73 WeakPolarHBondContact CE1-OE2 3.16Å; F43-E73 HydrophobicContact CE2-CG 4.43Å; F43-E73 HydrophobicContact CG-CG 4.36Å; F43-E73 HydrophobicContact CZ-CB 4.28Å; F43-E73 HydrophobicContact CZ-CG 4.03Å; F43-E73 VanDerWaalsContact CZ-OE2 3.26Å; F43-E73 WeakPolarHBondContact CZ-OE2 3.43Å; F43-I193 WeakPolarHBondContact O-CA 3.29Å; F43-T194 PolarHBondContact N-O 3.33Å; F43-T194 PolarHBondContact O-N 3.03Å
44V97.8Very high83.4Confident1 Ų158.2 Ų58.21%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-105.5111.6172.9178.90000107I46 K71 T72 I169 I171 M191V44-I46 HydrophobicContact CG1-CG2 4.22Å; V44-K71 WeakPolarHBondContact O-CA 3.44Å; V44-T72 PolarHBondContact N-O 3.25Å; V44-T72 PolarHBondContact O-N 3.32Å; V44-I169 HydrophobicContact CG2-CD1 3.76Å; V44-I171 HydrophobicContact CG2-CG2 3.9Å; V44-M191 HydrophobicContact CG1-CE 3.79Å; V44-M191 HydrophobicContact CG1-CG 4.13Å; V44-M191 HydrophobicContact CG1-SD 3.87Å
45N97.8Very high83.7Confident34 Ų3462.9 Ų62.918%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-106.2114.3173.1-178.540.2000109E70 K71 M191 Y192N45-E70 CarbonylContact C-O 3.58Å; N45-E70 VanDerWaalsContact CA-O 3.3Å; N45-E70 WeakPolarHBondContact CA-O 3.44Å; N45-E70 PolarHBondContact OD1-O 3.39Å; N45-K71 HydrophobicContact CB-CB 4.12Å; N45-K71 HydrophobicContact CB-CG 4.15Å; N45-M191 CarbonylContact O-C 3.53Å; N45-M191 WeakPolarHBondContact O-CA 3.35Å; N45-Y192 WeakPolarHBondContact CB-O 3.27Å; N45-Y192 PolarHBondContact N-O 3.14Å; N45-Y192 PolarHBondContact O-N 3.24Å
46I97.1Very high83.9Confident1 Ų158.3 Ų58.31%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-103.2143.9174.756.1168.5000110.8V44 Y48 T69 E70 K175 I179 V189 M191V44-I46 HydrophobicContact CG1-CG2 4.22Å; I46-Y48 HydrophobicContact CD1-CE1 4.41Å; I46-T69 WeakPolarHBondContact O-CA 3.45Å; I46-E70 HydrophobicContact CG1-CB 4.24Å; I46-E70 PolarHBondContact N-O 3.25Å; I46-E70 PolarHBondContact O-N 3.42Å; I46-K175 HydrophobicContact CD1-CD 4.46Å; I46-I179 HydrophobicContact CD1-CG1 4.31Å; I46-I179 HydrophobicContact CG2-CD1 4.04Å; I46-I179 HydrophobicContact CG2-CG1 4.32Å; I46-V189 HydrophobicContact CB-CG1 4.11Å; I46-V189 HydrophobicContact CG2-CG1 4.14Å; I46-M191 HydrophobicContact CG2-CB 4.36Å; I46-M191 HydrophobicContact CG2-CE 3.87Å; I46-M191 HydrophobicContact CG2-CG 4.28Å
47T96.4Very high83.7Confident37 Ų3756.5 Ų56.523%0.22735%0.35CS..EExtended strand (participates in β ladder)trans-134.6128.5177.9550000108.7H68 T69 T190T47-H68 WeakPolarHBondContact CA-O 3.25Å; T47-T69 HydrophobicContact CG2-CG2 3.88Å; T47-T190 PolarHBondContact N-O 3.43Å; T47-T190 PolarHBondContact O-N 3.48Å; T47-T190 WeakPolarHBondContact OG1-CB 3.24Å; T47-T190 PolarHBondContact OG1-O 2.75Å
48Y94.8Very high82.9Confident46 Ų4656.9 Ų56.918%0.1837%0.37CS..EExtended strand (participates in β ladder)trans-150.9149.2179.865.1-91.5000110.2I46 H68 L182 I187I46-Y48 HydrophobicContact CD1-CE1 4.41Å; Y48-H68 HydrophobicContact CD1-CB 4.25Å; Y48-H68 HydrophobicContact CD2-CB 4.17Å; Y48-H68 HydrophobicContact CE1-CB 3.78Å; Y48-H68 HydrophobicContact CE2-CB 3.69Å; Y48-H68 AromaticContact CE2-CD2 3.58Å; Y48-H68 AromaticContact CE2-CG 3.83Å; Y48-H68 HydrophobicContact CG-CB 4.43Å; Y48-H68 VanDerWaalsContact CZ-CB 3.47Å; Y48-H68 AromaticContact CZ-CG 3.89Å; Y48-H68 PolarHBondContact N-O 3.46Å; Y48-H68 VanDerWaalsContact N-O 3.09Å; Y48-H68 PolarHBondContact O-N 2.69Å; Y48-L182 HydrophobicContact CD1-CD1 3.6Å; Y48-L182 HydrophobicContact CD2-CD1 4.3Å; Y48-L182 HydrophobicContact CD2-CD2 4Å; Y48-L182 HydrophobicContact CE1-CD1 3.69Å; Y48-L182 HydrophobicContact CE2-CD1 4.38Å; Y48-L182 HydrophobicContact CE2-CD2 3.86Å; Y48-L182 HydrophobicContact CG-CD1 3.92Å; Y48-L182 HydrophobicContact CG-CD2 4.43Å; Y48-I187 HydrophobicContact CD2-CG2 4.22Å
49A91.4Very high81.2Confident45 Ų4558.4 Ų58.437%0.37239%0.393SS..EExtended strand (participates in β ladder)trans-109117.1177.100000109.3A65 E66 L67A49-A65 HydrophobicContact CB-CB 4.14Å; A49-E66 WeakPolarHBondContact CA-O 3.46Å; A49-L67 HydrophobicContact CB-CD1 4.41Å
50E83.6Confident79.3Confident60 Ų6062.4 Ų62.428%0.2843%0.433SS..EExtended strand (participates in β ladder)trans-82.2132.6178.4-169.8149.8-117.300110A52 A65 E66 R185 I187E50-A52 PolarHBondContact O-N 3.44Å; E50-A65 WeakPolarHBondContact O-CB 3.29Å; E50-E66 PolarHBondContact N-O 3.43Å; E50-E66 PolarHBondContact O-N 3.34Å; E50-R185 IonicContact OE1-CZ 3.14Å; E50-R185 IonicContact OE1-NH1 2.69Å; E50-R185 PolarHBondContact OE1-NH1 3.06Å; E50-R185 IonicContact OE1-NH2 2.68Å; E50-R185 PolarHBondContact OE1-NH2 2.89Å; E50-I187 HydrophobicContact CG-CD1 4.46Å
51P78.5Confident77.2Confident91 Ų9163.1 Ų63.159%0.59146%0.455SS*.PPolyproline II helixtrans-58.9135.9174.7-23.934.4000110.9
52A72.8Confident75.1Confident53 Ų5366.6 Ų66.644%0.43849%0.493SS..PPolyproline II helixtrans-57.3137.9176.300000110.6E50E50-A52 PolarHBondContact O-N 3.44Å
53P69.6Low73Confident117 Ų11769.9 Ų69.976%0.7653%0.527SS*.PPolyproline II helixtrans-62.1150.7-179.726.3-34.9000111.5
54D66.4Low71.3Confident141 Ų14170.1 Ų70.175%0.75455%0.545SS*.PPolyproline II helixtrans-51.5136.6-170.3-79.3-53.8000113.4G56 A57D54-G56 PolarHBondContact O-N 3.09Å; D54-A57 PolarHBondContact O-N 3.02Å
55P58.7Low70Confident128 Ų12873 Ų7383%0.83157%0.569SS**G310 helixtrans-66.72.9-175.527.3-35.6000114.8A57P55-A57 PolarHBondContact O-N 3.41Å
56G58.8Low69.3Low80 Ų8077.7 Ų77.783%0.82559%0.59SS**G310 helixtrans-67.3-15.116900000114.2D54 G58D54-G56 PolarHBondContact O-N 3.09Å; G56-G58 VanDerWaalsContact C-N 3.34Å; G56-G58 PolarHBondContact O-N 3.16Å
57A56.5Low68.9Low83 Ų8383.4 Ų83.469%0.68662%0.62SS**G310 helixtrans-88.824.6-175.900000115.5D54 P55 A59D54-A57 PolarHBondContact O-N 3.02Å; P55-A57 PolarHBondContact O-N 3.41Å; A57-A59 PolarHBondContact O-N 2.98Å
58G52.6Low68.7Low72 Ų7284.1 Ų84.174%0.74262%0.62SS**  trans66.54.1164.600000117.8G56 A60G56-G58 VanDerWaalsContact C-N 3.34Å; G56-G58 PolarHBondContact O-N 3.16Å; G58-A60 PolarHBondContact O-N 2.92Å
59A52.3Low68.7Low89 Ų8986 Ų8674%0.73664%0.637SS**  trans-79.2102.7-175.100000112.3A57 G61A57-A59 PolarHBondContact O-N 2.98Å; A59-G61 PolarHBondContact O-N 3.07Å
60A51.3Low68.8Low117 Ų11787.2 Ų87.297%0.96764%0.635SS**  trans-7672.4171.700000111.6G58G58-A60 PolarHBondContact O-N 2.92Å
61G51.2Low69.4Low62 Ų6290.1 Ų90.164%0.63965%0.647SS**SBendtrans-145.9149.4176.900000111.5A59 G63A59-G61 PolarHBondContact O-N 3.07Å; G61-G63 PolarHBondContact O-N 3.3Å
62G52.6Low70.2Confident88 Ų8887.5 Ų87.591%0.90763%0.629SS**  trans-70.1102.1-177.400000112.2G64G62-G64 PolarHBondContact O-N 3.08Å
63G54.5Low71.4Confident69 Ų6988.9 Ų88.971%0.71163%0.626SS**  trans-69.981.7-178.700000114G61G61-G63 PolarHBondContact O-N 3.3Å
64G63.4Low72.6Confident59 Ų5984.4 Ų84.461%0.60860%0.598SS**PPolyproline II helixtrans-75.5151.5153.400000110.3G62G62-G64 PolarHBondContact O-N 3.08Å
65A70.4Confident74Confident62 Ų6277.8 Ų77.851%0.51256%0.562SS.*PPolyproline II helixtrans-68.4133.5170.100000109.8A49 E50 L67A49-A65 HydrophobicContact CB-CB 4.14Å; E50-A65 WeakPolarHBondContact O-CB 3.29Å; A65-L67 PolarHBondContact O-N 3.31Å
66E83.2Confident75.8Confident132 Ų13273 Ų7362%0.61753%0.528SS*.EExtended strand (participates in β ladder)trans-78.2121.9-178.7-167170.9149.700109.8A49 E50 H68A49-E66 WeakPolarHBondContact CA-O 3.46Å; E50-E66 PolarHBondContact N-O 3.43Å; E50-E66 PolarHBondContact O-N 3.34Å; E66-H68 PolarHBondContact O-CD2 2.86Å; E66-H68 PolarHBondContact O-N 3.5Å; E66-H68 IonicContact OE1-CE1 3.2Å; E66-H68 PolarHBondContact OE1-CE1 3.01Å; E66-H68 IonicContact OE1-ND1 3.43Å; E66-H68 IonicContact OE1-NE2 2.7Å
67L88.4Confident77.7Confident121 Ų12169.2 Ų69.263%0.63449%0.489SS*.EExtended strand (participates in β ladder)trans-90.199.9-178.2-179.167000110.1A49 A65A49-L67 HydrophobicContact CB-CD1 4.41Å; A65-L67 PolarHBondContact O-N 3.31Å
68H92.3Very high79.6Confident51 Ų5165.2 Ų65.224%0.23646%0.456CS..EExtended strand (participates in β ladder)trans-81.4141.8173.2-59.7-76.4000110.4T47 Y48 E66T47-H68 WeakPolarHBondContact CA-O 3.25Å; Y48-H68 HydrophobicContact CD1-CB 4.25Å; Y48-H68 HydrophobicContact CD2-CB 4.17Å; Y48-H68 HydrophobicContact CE1-CB 3.78Å; Y48-H68 HydrophobicContact CE2-CB 3.69Å; Y48-H68 AromaticContact CE2-CD2 3.58Å; Y48-H68 AromaticContact CE2-CG 3.83Å; Y48-H68 HydrophobicContact CG-CB 4.43Å; Y48-H68 VanDerWaalsContact CZ-CB 3.47Å; Y48-H68 AromaticContact CZ-CG 3.89Å; Y48-H68 PolarHBondContact N-O 3.46Å; Y48-H68 VanDerWaalsContact N-O 3.09Å; Y48-H68 PolarHBondContact O-N 2.69Å; E66-H68 PolarHBondContact O-CD2 2.86Å; E66-H68 PolarHBondContact O-N 3.5Å; E66-H68 IonicContact OE1-CE1 3.2Å; E66-H68 PolarHBondContact OE1-CE1 3.01Å; E66-H68 IonicContact OE1-ND1 3.43Å; E66-H68 IonicContact OE1-NE2 2.7Å
69T93.8Very high81.5Confident87 Ų8766.8 Ų66.853%0.53444%0.444SS..EExtended strand (participates in β ladder)trans-144125.1179-65.40000108.7I46 T47I46-T69 WeakPolarHBondContact O-CA 3.45Å; T47-T69 HydrophobicContact CG2-CG2 3.88Å
70E94.6Very high83.6Confident70 Ų7065.5 Ų65.533%0.32742%0.423SS..EExtended strand (participates in β ladder)trans-141.1124.7-176.1-175.1-137.3-168.700110.5N45 I46 T72 K175N45-E70 CarbonylContact C-O 3.58Å; N45-E70 VanDerWaalsContact CA-O 3.3Å; N45-E70 WeakPolarHBondContact CA-O 3.44Å; N45-E70 PolarHBondContact OD1-O 3.39Å; I46-E70 HydrophobicContact CG1-CB 4.24Å; I46-E70 PolarHBondContact N-O 3.25Å; I46-E70 PolarHBondContact O-N 3.42Å; E70-T72 HydrophobicContact CG-CG2 4.24Å; E70-T72 VanDerWaalsContact OE1-CG2 3.25Å; E70-T72 WeakPolarHBondContact OE1-CG2 3.28Å; E70-K175 IonicContact OE1-NZ 3.76Å; E70-K175 PolarHBondContact OE1-NZ 2.99Å; E70-K175 IonicContact OE2-NZ 2.61Å; E70-K175 PolarHBondContact OE2-NZ 3.09Å
71K95.6Very high85.7Confident120 Ų12060.2 Ų60.252%0.52238%0.378SS..EExtended strand (participates in β ladder)trans-113121.9178.2-177.9178.4179-179.20110.7F43 V44 N45F43-K71 VanDerWaalsContact CB-CE 3.43Å; F43-K71 HydrophobicContact CB-CG 4.38Å; F43-K71 HydrophobicContact CD1-CD 4.41Å; F43-K71 HydrophobicContact CD1-CG 4.26Å; V44-K71 WeakPolarHBondContact O-CA 3.44Å; N45-K71 HydrophobicContact CB-CB 4.12Å; N45-K71 HydrophobicContact CB-CG 4.15Å
72T96.3Very high87.9Confident36 Ų3658.7 Ų58.722%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-130.3142.1179.356.30000111.9F43 V44 E70 C74F43-T72 CarbonylContact C-O 3.54Å; F43-T72 WeakPolarHBondContact CA-O 3.39Å; V44-T72 PolarHBondContact N-O 3.25Å; V44-T72 PolarHBondContact O-N 3.32Å; E70-T72 HydrophobicContact CG-CG2 4.24Å; E70-T72 VanDerWaalsContact OE1-CG2 3.25Å; E70-T72 WeakPolarHBondContact OE1-CG2 3.28Å; T72-C74 PolarHBondContact O-N 3.37Å; T72-C74 VanDerWaalsContact O-N 3.14Å; T72-C74 PolarHBondContact OG1-SG 3.2Å
73E96.8Very high90Very high82 Ų8257.8 Ų57.838%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-86.962.4172.3-158.2178.7160.700110.5T41 F43 T197T41-E73 WeakPolarHBondContact CB-OE1 3.45Å; T41-E73 HydrophobicContact CG2-CG 4.39Å; T41-E73 PolarHBondContact OG1-OE1 2.84Å; F43-E73 HydrophobicContact CD1-CB 3.7Å; F43-E73 HydrophobicContact CD1-CG 3.96Å; F43-E73 HydrophobicContact CE1-CB 3.58Å; F43-E73 HydrophobicContact CE1-CG 3.8Å; F43-E73 WeakPolarHBondContact CE1-OE2 3.16Å; F43-E73 HydrophobicContact CE2-CG 4.43Å; F43-E73 HydrophobicContact CG-CG 4.36Å; F43-E73 HydrophobicContact CZ-CB 4.28Å; F43-E73 HydrophobicContact CZ-CG 4.03Å; F43-E73 VanDerWaalsContact CZ-OE2 3.26Å; F43-E73 WeakPolarHBondContact CZ-OE2 3.43Å; E73-T197 WeakPolarHBondContact OE1-CB 3.5Å; E73-T197 WeakPolarHBondContact OE1-CG2 3.24Å; E73-T197 PolarHBondContact OE1-N 3.22Å; E73-T197 VanDerWaalsContact OE1-N 3.11Å; E73-T197 PolarHBondContact OE1-OG1 3.31Å
74C95.1Very high92Very high24 Ų2459.4 Ų59.416%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-104.7-17-175.766.70000114.3T72 P172T72-C74 PolarHBondContact O-N 3.37Å; T72-C74 VanDerWaalsContact O-N 3.14Å; T72-C74 PolarHBondContact OG1-SG 3.2Å; C74-P172 HydrophobicContact CB-CG 4.11Å; C74-P172 WeakPolarHBondContact O-CD 3.21Å
75G96.1Very high93.6Very high1 Ų159.9 Ų59.91%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-77.8155.8-177.600000113T41 A42 M170T41-G75 CarbonylContact C-O 3.4Å; T41-G75 WeakPolarHBondContact CA-O 3.14Å; T41-G75 WeakPolarHBondContact CB-O 3.19Å; A42-G75 PolarHBondContact N-O 3.4Å; A42-G75 WeakPolarHBondContact O-CA 3.41Å; A42-G75 PolarHBondContact O-N 2.68Å; G75-M170 CarbonylContact C-O 3.59Å; G75-M170 VanDerWaalsContact CA-O 3.26Å; G75-M170 WeakPolarHBondContact CA-O 3.34Å
76R96.9Very high94.8Very high27 Ų2757.5 Ų57.510%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-129.9123.6166.5-179.4164.8-179.9169.25.6108.6E37 W39 Y40 T155 T157 I169 M170E37-R76 IonicContact OE1-NH2 3.06Å; E37-R76 PolarHBondContact OE1-NH2 3.3Å; W39-R76 HydrophobicContact CD2-CG 4.48Å; W39-R76 HydrophobicContact CE3-CG 3.71Å; W39-R76 HydrophobicContact CZ3-CG 4.1Å; Y40-R76 WeakPolarHBondContact O-CA 3.49Å; R76-T155 WeakPolarHBondContact CB-OG1 3.29Å; R76-T155 VanDerWaalsContact CD-O 3.31Å; R76-T155 WeakPolarHBondContact CD-O 3.48Å; R76-T155 PolarHBondContact NH1-O 3.3Å; R76-T157 VanDerWaalsContact CZ-OG1 3.26Å; R76-T157 VanDerWaalsContact NE-N 3.14Å; R76-T157 PolarHBondContact NE-OG1 3.06Å; R76-T157 PolarHBondContact NH2-OG1 3.33Å; R76-I169 CarbonylContact O-C 3.53Å; R76-I169 WeakPolarHBondContact O-CA 3.37Å; R76-M170 PolarHBondContact N-O 2.89Å; R76-M170 PolarHBondContact O-N 2.92Å
77Y97.6Very high95.5Very high1 Ų159.5 Ų59.50%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-62.5142.7177.7-81.4-99.1000110.5Y40 T41 A42 P82 K83 Q84 V167 I169 I195Y40-Y77 PolarHBondContact O-N 3.28Å; T41-Y77 VanDerWaalsContact O-CD2 3.3Å; T41-Y77 WeakPolarHBondContact O-CD2 3.47Å; T41-Y77 WeakPolarHBondContact O-CE2 3.44Å; A42-Y77 HydrophobicContact CB-CD2 3.84Å; A42-Y77 HydrophobicContact CB-CE2 3.44Å; A42-Y77 VanDerWaalsContact CB-CE2 3.44Å; Y77-P82 WeakPolarHBondContact CE1-O 3.47Å; Y77-K83 HydrophobicContact CD1-CD 3.69Å; Y77-K83 HydrophobicContact CD2-CD 4.36Å; Y77-K83 HydrophobicContact CE1-CD 4.43Å; Y77-K83 HydrophobicContact CG-CD 3.65Å; Y77-Q84 PolarHBondContact OH-O 3.43Å; Y77-V167 HydrophobicContact CE1-CG1 3.9Å; Y77-I169 HydrophobicContact CD1-CG2 4.01Å; Y77-I169 HydrophobicContact CD2-CG2 4.36Å; Y77-I169 HydrophobicContact CE1-CG2 4.19Å; Y77-I169 HydrophobicContact CG-CG2 4.09Å; Y77-I195 PolarHBondContact OH-N 2.77Å
78G96.3Very high95.8Very high0 Ų054 Ų540%026%0.261CS..  trans-58.3154.7164.500000111.3S81 K83 H160 A168G78-S81 WeakPolarHBondContact O-CB 3.38Å; G78-S81 PolarHBondContact O-N 3.43Å; G78-S81 VanDerWaalsContact O-N 3.17Å; G78-K83 PolarHBondContact O-NZ 2.97Å; G78-H160 WeakPolarHBondContact CA-NE2 3.35Å; G78-A168 PolarHBondContact N-O 3.48Å
79E93.9Very high96Very high105 Ų10553.6 Ų53.649%0.49126%0.259SS..THydrogen-bonded Turntrans-55-58.6-175.9-176.8-178.5-149.200110.7S81 K83 T157 M158 P159E79-S81 PolarHBondContact O-N 3.01Å; E79-K83 PolarHBondContact O-NZ 3.47Å; E79-T157 HydrophobicContact CB-CG2 3.77Å; E79-T157 HydrophobicContact CG-CG2 4.49Å; E79-M158 WeakPolarHBondContact CB-O 3.42Å; E79-M158 PolarHBondContact N-O 3.31Å; E79-P159 WeakPolarHBondContact OE2-CA 3.47Å; E79-P159 WeakPolarHBondContact OE2-CB 3.45Å
80H94.6Very high96.1Very high62 Ų6249.7 Ų49.729%0.28724%0.235SC..THydrogen-bonded Turntrans-86.411-179.6-6071.8000112.5E164H80-E164 HydrophobicContact CB-CG 4Å; H80-E164 IonicContact CD2-OE1 2.7Å; H80-E164 PolarHBondContact CD2-OE1 2.89Å; H80-E164 VanDerWaalsContact CD2-OE1 3.31Å
81S96.8Very high96.2Very high5 Ų546.9 Ų46.94%0.03522%0.223CC..SBendtrans-76.6136.7-177.9-174.70000111.2G78 E79 K83 H160 A168G78-S81 WeakPolarHBondContact O-CB 3.38Å; G78-S81 PolarHBondContact O-N 3.43Å; G78-S81 VanDerWaalsContact O-N 3.17Å; E79-S81 PolarHBondContact O-N 3.01Å; S81-K83 WeakPolarHBondContact O-CD 3.36Å; S81-K83 PolarHBondContact O-N 3.35Å; S81-K83 PolarHBondContact O-NZ 3.08Å; S81-H160 PolarHBondContact N-CE1 2.97Å; S81-H160 VanDerWaalsContact N-CE1 3.29Å; S81-H160 PolarHBondContact N-NE2 3.32Å; S81-A168 VanDerWaalsContact CB-O 3.29Å; S81-A168 WeakPolarHBondContact CB-O 3.41Å; S81-A168 PolarHBondContact OG-N 2.93Å; S81-A168 PolarHBondContact OG-O 2.94Å
82P96.9Very high96.1Very high30 Ų3042.4 Ų42.420%0.19520%0.204CC..  trans-67.4122.3176.128.2-29.5000108.6Y77 Q84 E164 I166 V167Y77-P82 WeakPolarHBondContact CE1-O 3.47Å; P82-Q84 HydrophobicContact CB-CG 4.3Å; P82-Q84 PolarHBondContact O-N 2.83Å; P82-E164 VanDerWaalsContact CD-O 3.26Å; P82-E164 WeakPolarHBondContact CD-O 3.37Å; P82-E164 WeakPolarHBondContact CG-O 3.48Å; P82-I166 VanDerWaalsContact CD-C 3.49Å; P82-I166 WeakPolarHBondContact CD-O 3.42Å; P82-V167 HydrophobicContact CG-CG2 4.04Å
83K95.9Very high96Very high69 Ų6941.1 Ų41.130%0.320%0.197SC..  trans-81.469.5-174.3-50.9-61-172.6-90.50109.7Y40 Y77 G78 E79 S81 I195Y40-K83 HydrophobicContact CD2-CD 4.1Å; Y40-K83 HydrophobicContact CD2-CG 4.4Å; Y40-K83 HydrophobicContact CG-CD 4.2Å; Y77-K83 HydrophobicContact CD1-CD 3.69Å; Y77-K83 HydrophobicContact CD2-CD 4.36Å; Y77-K83 HydrophobicContact CE1-CD 4.43Å; Y77-K83 HydrophobicContact CG-CD 3.65Å; G78-K83 PolarHBondContact O-NZ 2.97Å; E79-K83 PolarHBondContact O-NZ 3.47Å; S81-K83 WeakPolarHBondContact O-CD 3.36Å; S81-K83 PolarHBondContact O-N 3.35Å; S81-K83 PolarHBondContact O-NZ 3.08Å; K83-I195 WeakPolarHBondContact O-CD1 3.47Å
84Q96.3Very high95.4Very high103 Ų10341.1 Ų41.148%0.48121%0.206SC..SBendtrans-135.1165.6-177.469.5-174.51400111.5Y77 P82 V167Y77-Q84 PolarHBondContact OH-O 3.43Å; P82-Q84 HydrophobicContact CB-CG 4.3Å; P82-Q84 PolarHBondContact O-N 2.83Å; Q84-V167 HydrophobicContact CG-CG2 3.46Å; Q84-V167 VanDerWaalsContact CG-CG2 3.46Å
85D97.2Very high95Very high70 Ų7041.9 Ų41.937%0.37421%0.211SC..  trans-72.7145.6174.9-80.222.6000111.6Y192 I193 T194 I195D85-Y192 HydrophobicContact CB-CE2 4.12Å; D85-Y192 PolarHBondContact OD2-OH 3.41Å; D85-I193 VanDerWaalsContact CA-O 3.29Å; D85-I193 WeakPolarHBondContact CA-O 3.34Å; D85-T194 VanDerWaalsContact OD1-CA 3.23Å; D85-T194 WeakPolarHBondContact OD1-CA 3.49Å; D85-T194 WeakPolarHBondContact OD1-CB 3.34Å; D85-T194 WeakPolarHBondContact OD2-CG2 3.48Å; D85-I195 PolarHBondContact OD1-N 3.3Å
86A97.1Very high94.2Very high11 Ų1145.2 Ų45.29%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-143.6148174.200000111.6A142 V167 Y192 I193A86-A142 HydrophobicContact CB-CB 3.76Å; A86-V167 HydrophobicContact CB-CB 4Å; A86-V167 HydrophobicContact CB-CG1 4.13Å; A86-V167 HydrophobicContact CB-CG2 4.02Å; A86-Y192 WeakPolarHBondContact O-CD2 3.23Å; A86-I193 PolarHBondContact N-O 3.41Å; A86-I193 PolarHBondContact O-N 2.92Å
87R96.2Very high93.2Very high175 Ų17552.2 Ų52.266%0.6627%0.272SS*.EExtended strand (participates in β ladder)trans-140.8149.3179.978.5-174.1-172.91782.7111.7N116 M191 Y192R87-N116 WeakPolarHBondContact O-CB 3.24Å; R87-M191 WeakPolarHBondContact CA-O 3.28Å; R87-Y192 HydrophobicContact CB-CD2 3.73Å; R87-Y192 HydrophobicContact CB-CE2 4.42Å
88G95.8Very high92.6Very high6 Ų655 Ų556%0.06229%0.287CS..EExtended strand (participates in β ladder)trans172.6173171.100000114.9N116 M191G88-N116 WeakPolarHBondContact CA-O 3.42Å; G88-M191 PolarHBondContact N-O 3.06Å; G88-M191 PolarHBondContact O-N 2.94Å
89E96Very high92.2Very high41 Ų4159 Ų5919%0.19230%0.303CS..EExtended strand (participates in β ladder)trans-68.9132.3170.1-156.9165.8155.700109.2P111 K115 N116 W117 I118 T188E89-P111 HydrophobicContact CB-CG 3.81Å; E89-P111 HydrophobicContact CG-CG 4.17Å; E89-K115 IonicContact OE2-NZ 3.68Å; E89-K115 PolarHBondContact OE2-NZ 3.49Å; E89-N116 PolarHBondContact N-O 2.91Å; E89-N116 VanDerWaalsContact N-O 3.1Å; E89-W117 CarbonylContact O-C 3.59Å; E89-W117 VanDerWaalsContact O-CA 3.25Å; E89-W117 WeakPolarHBondContact O-CA 3.41Å; E89-W117 WeakPolarHBondContact O-CB 3.34Å; E89-I118 PolarHBondContact O-N 3.25Å; E89-T188 HydrophobicContact CG-CG2 3.71Å; E89-T188 WeakPolarHBondContact OE1-CG2 3.49Å
90V96.8Very high92.1Very high5 Ų557 Ų573%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-86.8129.3-173.8-171.90000110.4I118 L120 I179 L183 V189 M191V90-I118 WeakPolarHBondContact CA-O 3.3Å; V90-L120 HydrophobicContact CG1-CB 3.71Å; V90-L120 HydrophobicContact CG1-CD2 4.2Å; V90-L120 HydrophobicContact CG1-CG 4.47Å; V90-I179 HydrophobicContact CG1-CG2 4.07Å; V90-L183 HydrophobicContact CG1-CD1 4.1Å; V90-L183 WeakPolarHBondContact O-CD2 3.47Å; V90-V189 HydrophobicContact CB-CB 4.33Å; V90-V189 HydrophobicContact CG2-CB 4.3Å; V90-V189 HydrophobicContact CG2-CG1 4.09Å; V90-V189 PolarHBondContact N-O 3.04Å; V90-M191 HydrophobicContact CG2-CB 3.47Å; V90-M191 VanDerWaalsContact CG2-CB 3.47Å; V90-M191 HydrophobicContact CG2-CE 4.18Å
91V95.4Very high92Very high12 Ų1254 Ų547%0.07328%0.281CS..EExtended strand (participates in β ladder)trans-135.8132.9-170-179.60000111.1F108 P109 W117 I118 A119 L120V91-F108 HydrophobicContact CG1-CB 4.02Å; V91-F108 HydrophobicContact CG1-CD1 4.44Å; V91-P109 VanDerWaalsContact CG1-CD 3.43Å; V91-P109 HydrophobicContact CG1-CG 3.81Å; V91-W117 HydrophobicContact CB-CE3 3.78Å; V91-W117 HydrophobicContact CB-CZ3 4.14Å; V91-W117 HydrophobicContact CG1-CE3 4.36Å; V91-W117 HydrophobicContact CG1-CZ3 4.39Å; V91-W117 HydrophobicContact CG2-CB 4.37Å; V91-W117 HydrophobicContact CG2-CE3 4.07Å; V91-I118 PolarHBondContact N-O 3.45Å; V91-A119 WeakPolarHBondContact O-CA 3.2Å; V91-L120 PolarHBondContact O-N 3.44Å
92M94.8Very high91.8Very high26 Ų2655.7 Ų55.713%0.12829%0.292CS..  trans-100.1164.1168.8-68.7-170.8-70.300111.1P109 L120 V180 L183 E184M92-P109 WeakPolarHBondContact O-CD 3.35Å; M92-L120 HydrophobicContact CG-CB 4.16Å; M92-L120 HydrophobicContact CG-CD2 4.24Å; M92-L120 HydrophobicContact CG-CG 4.45Å; M92-V180 HydrophobicContact CE-CG1 4.19Å; M92-V180 HydrophobicContact SD-CB 4.38Å; M92-V180 HydrophobicContact SD-CG1 4.2Å; M92-V180 HydrophobicContact SD-CG2 3.79Å; M92-L183 HydrophobicContact CE-CB 3.8Å; M92-L183 HydrophobicContact CE-CD1 4.09Å; M92-L183 HydrophobicContact CG-CD1 4.06Å; M92-E184 HydrophobicContact CE-CG 4.35Å
93A93.1Very high91.6Very high9 Ų957.9 Ų57.97%0.07430%0.302CS..  trans-58.9141.9173.800000112.3S95 D98 T106 K107 F108A93-S95 PolarHBondContact O-N 3.31Å; A93-S95 VanDerWaalsContact O-N 3.14Å; A93-D98 WeakPolarHBondContact CB-O 3.39Å; A93-T106 HydrophobicContact CB-CG2 3.49Å; A93-T106 VanDerWaalsContact CB-CG2 3.49Å; A93-K107 WeakPolarHBondContact CA-O 3.34Å; A93-F108 HydrophobicContact CB-CD1 4.49Å; A93-F108 HydrophobicContact CB-CE1 4.31Å
94S85.8Confident91.3Very high81 Ų8158.9 Ų58.957%0.56632%0.316SS*.SBendtrans-63-21.8-174.3-53.40000114.6K107 P109S94-K107 PolarHBondContact N-O 3.48Å; S94-K107 PolarHBondContact OG-O 3.45Å; S94-P109 VanDerWaalsContact OG-CD 3.3Å; S94-P109 WeakPolarHBondContact OG-CD 3.37Å
95S85.1Confident90.9Very high40 Ų4060 Ų6028%0.2833%0.325SS..SBendtrans-112.4133.7-173.2157.50000109.8A93 H97 D98 R99A93-S95 PolarHBondContact O-N 3.31Å; A93-S95 VanDerWaalsContact O-N 3.14Å; S95-H97 PolarHBondContact O-N 3.06Å; S95-H97 PolarHBondContact OG-N 3.5Å; S95-D98 WeakPolarHBondContact CB-OD2 3.31Å; S95-D98 PolarHBondContact O-N 3.32Å; S95-D98 VanDerWaalsContact O-N 3.12Å; S95-D98 VanDerWaalsContact OG-CG 3.3Å; S95-D98 PolarHBondContact OG-N 3.19Å; S95-D98 PolarHBondContact OG-OD2 3.49Å; S95-R99 PolarHBondContact O-N 2.93Å
96A79.2Confident90.7Very high71 Ų7156.7 Ų56.759%0.58731%0.307SS*.SBendtrans-61-30.217800000112.7
97H76.8Confident90.4Very high175 Ų17563.4 Ų63.481%0.8134%0.335SS*.SBendtrans-76.7-33.1177.7-66.429.5000111.2S95 R99S95-H97 PolarHBondContact O-N 3.06Å; S95-H97 PolarHBondContact OG-N 3.5Å; H97-R99 VanDerWaalsContact C-N 3.33Å; H97-R99 PolarHBondContact O-N 3.2Å
98D84.3Confident90.2Very high60 Ų6055.8 Ų55.832%0.32131%0.306SS..G310 helixtrans-91.16.1-176.4-47.9-41.1000112.9A93 S95 L100 A101 T106A93-D98 WeakPolarHBondContact CB-O 3.39Å; S95-D98 WeakPolarHBondContact CB-OD2 3.31Å; S95-D98 PolarHBondContact O-N 3.32Å; S95-D98 VanDerWaalsContact O-N 3.12Å; S95-D98 VanDerWaalsContact OG-CG 3.3Å; S95-D98 PolarHBondContact OG-N 3.19Å; S95-D98 PolarHBondContact OG-OD2 3.49Å; D98-L100 PolarHBondContact O-N 2.85Å; D98-A101 WeakPolarHBondContact O-CA 3.34Å; D98-A101 PolarHBondContact O-N 2.94Å; D98-T106 HydrophobicContact CB-CG2 4Å
99R87.6Confident90Very high84 Ų8459.2 Ų59.232%0.31733%0.328SS..G310 helixtrans-53.6-27.1177.7-81.4-179.3174.5-161.7-2.2113.9S95 H97 A101 P122 E184S95-R99 PolarHBondContact O-N 2.93Å; H97-R99 VanDerWaalsContact C-N 3.33Å; H97-R99 PolarHBondContact O-N 3.2Å; R99-A101 PolarHBondContact O-N 3.37Å; R99-P122 VanDerWaalsContact O-CD 3.24Å; R99-P122 WeakPolarHBondContact O-CD 3.4Å; R99-P122 WeakPolarHBondContact O-CG 3.48Å; R99-E184 IonicContact CZ-OE1 3.91Å; R99-E184 IonicContact NH1-OE1 3.97Å; R99-E184 PolarHBondContact NH1-OE1 3.39Å; R99-E184 IonicContact NH2-OE1 3.19Å; R99-E184 PolarHBondContact NH2-OE1 3.32Å
100L92.1Very high89.3Confident61 Ų6159.2 Ų59.232%0.31933%0.334SS..G310 helixtrans-73.2-10.9175.1-58.6-175000113.7D98 C102 P122 K131D98-L100 PolarHBondContact O-N 2.85Å; L100-C102 VanDerWaalsContact CB-SG 3.59Å; L100-C102 PolarHBondContact O-N 3.42Å; L100-P122 HydrophobicContact CD2-CB 4.35Å; L100-P122 HydrophobicContact CD2-CG 3.99Å; L100-K131 PolarHBondContact O-NZ 2.93Å
101A93.2Very high88.7Confident0 Ų060.2 Ų60.20%034%0.341CS..  trans52.431.6-176.900000115.2D98 R99 T106 F108 I121 N134D98-A101 WeakPolarHBondContact O-CA 3.34Å; D98-A101 PolarHBondContact O-N 2.94Å; R99-A101 PolarHBondContact O-N 3.37Å; A101-T106 HydrophobicContact CB-CG2 4.15Å; A101-F108 HydrophobicContact CB-CZ 3.91Å; A101-I121 HydrophobicContact CB-CD1 3.81Å; A101-I121 HydrophobicContact CB-CG1 4.15Å; A101-I121 HydrophobicContact CB-CG2 3.81Å; A101-N134 PolarHBondContact O-ND2 3.45Å
102C92.9Very high87.8Confident41 Ų4164.8 Ų64.828%0.27737%0.369SS..  trans-82.9-31.5-178.4-61.10000113.3L100 C126 N134L100-C102 VanDerWaalsContact CB-SG 3.59Å; L100-C102 PolarHBondContact O-N 3.42Å; C102-C126 WeakPolarHBondContact CA-SG 3.4Å; C102-C126 HydrophobicContact CB-CB 3.57Å; C102-C126 WeakPolarHBondContact CB-SG 3.38Å; C102-C126 WeakPolarHBondContact SG-CB 3.31Å; C102-C126 CovalentContact SG-SG 2.03Å; C102-C126 PolarHBondContact SG-SG 3.15Å; C102-N134 PolarHBondContact O-ND2 2.87Å
103D91.6Very high86.3Confident75 Ų7572.1 Ų72.140%0.40140%0.403SS..SBendtrans-78.2129.9176.9-166.6-53.9000110.1N105 T106 N134D103-N105 PolarHBondContact O-N 2.7Å; D103-N105 VanDerWaalsContact O-N 3.07Å; D103-N105 WeakPolarHBondContact OD1-CA 3.45Å; D103-N105 VanDerWaalsContact OD1-CB 3.26Å; D103-N105 WeakPolarHBondContact OD1-CB 3.26Å; D103-N105 PolarHBondContact OD1-N 3.29Å; D103-N105 PolarHBondContact OD1-ND2 3.26Å; D103-T106 VanDerWaalsContact O-CB 3.25Å; D103-T106 WeakPolarHBondContact O-CB 3.4Å; D103-T106 PolarHBondContact O-N 2.93Å; D103-T106 PolarHBondContact O-OG1 2.92Å; D103-N134 PolarHBondContact O-ND2 3.38Å
104P90.1Very high85.2Confident91 Ų9175.4 Ų75.459%0.59144%0.438SS*.THydrogen-bonded Turntrans-54.9-22.1174-2736.1000115.1
105N89.3Confident85.1Confident125 Ų12577.2 Ų77.267%0.66844%0.436SS*.THydrogen-bonded Turntrans-89.71177.7-53.1-84.4000113.2D103 K107D103-N105 PolarHBondContact O-N 2.7Å; D103-N105 VanDerWaalsContact O-N 3.07Å; D103-N105 WeakPolarHBondContact OD1-CA 3.45Å; D103-N105 VanDerWaalsContact OD1-CB 3.26Å; D103-N105 WeakPolarHBondContact OD1-CB 3.26Å; D103-N105 PolarHBondContact OD1-N 3.29Å; D103-N105 PolarHBondContact OD1-ND2 3.26Å; N105-K107 WeakPolarHBondContact O-CG 3.23Å; N105-K107 PolarHBondContact O-N 3.16Å; N105-K107 VanDerWaalsContact O-N 3.15Å
106T91.3Very high85.6Confident1 Ų179.2 Ų79.21%0.00644%0.443CS..PPolyproline II helixtrans-51.8119176.2-60.90000109.8A93 D98 A101 D103 F108 Q138A93-T106 HydrophobicContact CB-CG2 3.49Å; A93-T106 VanDerWaalsContact CB-CG2 3.49Å; D98-T106 HydrophobicContact CB-CG2 4Å; A101-T106 HydrophobicContact CB-CG2 4.15Å; D103-T106 VanDerWaalsContact O-CB 3.25Å; D103-T106 WeakPolarHBondContact O-CB 3.4Å; D103-T106 PolarHBondContact O-N 2.93Å; D103-T106 PolarHBondContact O-OG1 2.92Å; T106-F108 HydrophobicContact CG2-CE2 4.18Å; T106-F108 HydrophobicContact CG2-CZ 4.26Å; T106-Q138 PolarHBondContact O-NE2 2.89Å; T106-Q138 PolarHBondContact O-OE1 3.11Å
107K91.7Very high86.4Confident153 Ų15376.3 Ų76.367%0.66542%0.417SS*.PPolyproline II helixtrans-94.8133.6178.7-61.4-172.4-178.9178.10111.6A93 S94 N105A93-K107 WeakPolarHBondContact CA-O 3.34Å; S94-K107 PolarHBondContact N-O 3.48Å; S94-K107 PolarHBondContact OG-O 3.45Å; N105-K107 WeakPolarHBondContact O-CG 3.23Å; N105-K107 PolarHBondContact O-N 3.16Å; N105-K107 VanDerWaalsContact O-N 3.15Å
108F92.7Very high87.4Confident14 Ų1468 Ų686%0.06138%0.378CS..PPolyproline II helixtrans-101134.8166-61.1-90.9000109.2V91 A93 A101 T106 A110 W117 A119 I121 A135 Q138V91-F108 HydrophobicContact CG1-CB 4.02Å; V91-F108 HydrophobicContact CG1-CD1 4.44Å; A93-F108 HydrophobicContact CB-CD1 4.49Å; A93-F108 HydrophobicContact CB-CE1 4.31Å; A101-F108 HydrophobicContact CB-CZ 3.91Å; T106-F108 HydrophobicContact CG2-CE2 4.18Å; T106-F108 HydrophobicContact CG2-CZ 4.26Å; F108-A110 PolarHBondContact O-N 3.18Å; F108-W117 HydrophobicContact CB-CH2 3.48Å; F108-W117 VanDerWaalsContact CB-CH2 3.48Å; F108-W117 HydrophobicContact CB-CZ2 4.31Å; F108-W117 HydrophobicContact CB-CZ3 3.69Å; F108-W117 HydrophobicContact CD1-CH2 4.11Å; F108-W117 AromaticContact CD1-CZ3 3.89Å; F108-W117 HydrophobicContact CD1-CZ3 3.89Å; F108-W117 AromaticContact CD2-CH2 3.72Å; F108-W117 HydrophobicContact CD2-CH2 3.72Å; F108-W117 HydrophobicContact CD2-CZ3 4.34Å; F108-W117 HydrophobicContact CE2-CH2 4.49Å; F108-W117 AromaticContact CG-CH2 3.5Å; F108-W117 HydrophobicContact CG-CH2 3.5Å; F108-W117 AromaticContact CG-CZ3 3.72Å; F108-W117 HydrophobicContact CG-CZ3 3.72Å; F108-A119 HydrophobicContact CD1-CB 4.39Å; F108-A119 HydrophobicContact CE1-CB 3.97Å; F108-A119 HydrophobicContact CZ-CB 4.26Å; F108-I121 HydrophobicContact CE1-CG1 4.27Å; F108-I121 HydrophobicContact CZ-CD1 4.07Å; F108-I121 HydrophobicContact CZ-CG1 4.29Å; F108-A135 HydrophobicContact CE2-CB 4.13Å; F108-A135 HydrophobicContact CZ-CB 4.24Å; F108-Q138 VanDerWaalsContact N-OE1 3.12Å
109P89.8Confident88Confident79 Ų7965.1 Ų65.151%0.51336%0.363SS..  trans-76.767.3172.633.1-32.3000109.7V91 M92 S94V91-P109 VanDerWaalsContact CG1-CD 3.43Å; V91-P109 HydrophobicContact CG1-CG 3.81Å; M92-P109 WeakPolarHBondContact O-CD 3.35Å; S94-P109 VanDerWaalsContact OG-CD 3.3Å; S94-P109 WeakPolarHBondContact OG-CD 3.37Å
110A82.9Confident88.5Confident40 Ų4061.1 Ų61.133%0.33135%0.348SS..PPolyproline II helixtrans-62.3143.1-178.800000111.4F108 W117F108-A110 PolarHBondContact O-N 3.18Å; A110-W117 HydrophobicContact CB-CD2 4.03Å; A110-W117 HydrophobicContact CB-CG 4.17Å; A110-W117 HydrophobicContact CB-CZ2 4.21Å
111P83.4Confident88.8Confident27 Ų2758.2 Ų58.218%0.17533%0.333CS..PPolyproline II helixtrans-63.7138.9-179.6-17.429.9000111.8E89 K115 W117E89-P111 HydrophobicContact CB-CG 3.81Å; E89-P111 HydrophobicContact CG-CG 4.17Å; P111-K115 HydrophobicContact CB-CB 4.19Å; P111-K115 HydrophobicContact CB-CD 3.82Å; P111-W117 HydrophobicContact CG-CB 4.18Å
112T76.1Confident88.9Confident108 Ų10859.1 Ų59.166%0.66334%0.339SS*.SBendtrans-71.6160.8175.252.40000111.9
113H64.3Low88.9Confident179 Ų17960 Ų6083%0.82934%0.338SS*.SBendtrans64.654.4175.2-51.7-80.1000116.3K115H113-K115 PolarHBondContact O-N 2.72Å
114G68.8Low88.9Confident79 Ų7958.1 Ų58.181%0.81434%0.337SS*.SBendtrans68.11515900000115.9
115K84.8Confident88.9Confident119 Ų11960.8 Ų60.852%0.51735%0.346SS..  trans-72.1136.9167.8-66.9179.6172.7-178.40109.9E89 P111 H113E89-K115 IonicContact OE2-NZ 3.68Å; E89-K115 PolarHBondContact OE2-NZ 3.49Å; P111-K115 HydrophobicContact CB-CB 4.19Å; P111-K115 HydrophobicContact CB-CD 3.82Å; H113-K115 PolarHBondContact O-N 2.72Å
116N94.3Very high89.1Confident82 Ų8256.2 Ų56.244%0.43932%0.323SS..  trans-65.1143.8166.5-67.320.6000110.3R87 G88 E89 S141R87-N116 WeakPolarHBondContact O-CB 3.24Å; G88-N116 WeakPolarHBondContact CA-O 3.42Å; E89-N116 PolarHBondContact N-O 2.91Å; E89-N116 VanDerWaalsContact N-O 3.1Å; N116-S141 WeakPolarHBondContact CA-OG 3.26Å; N116-S141 VanDerWaalsContact CB-OG 3.23Å; N116-S141 WeakPolarHBondContact CB-OG 3.35Å
117W96.6Very high89.3Confident9 Ų959.6 Ų59.63%0.03434%0.344CS..EExtended strand (participates in β ladder)trans-140.5157.1179.972.1-84000111.4E89 V91 F108 A110 P111 A119 Q138 N139 A140 S141E89-W117 CarbonylContact O-C 3.59Å; E89-W117 VanDerWaalsContact O-CA 3.25Å; E89-W117 WeakPolarHBondContact O-CA 3.41Å; E89-W117 WeakPolarHBondContact O-CB 3.34Å; V91-W117 HydrophobicContact CB-CE3 3.78Å; V91-W117 HydrophobicContact CB-CZ3 4.14Å; V91-W117 HydrophobicContact CG1-CE3 4.36Å; V91-W117 HydrophobicContact CG1-CZ3 4.39Å; V91-W117 HydrophobicContact CG2-CB 4.37Å; V91-W117 HydrophobicContact CG2-CE3 4.07Å; F108-W117 HydrophobicContact CB-CH2 3.48Å; F108-W117 VanDerWaalsContact CB-CH2 3.48Å; F108-W117 HydrophobicContact CB-CZ2 4.31Å; F108-W117 HydrophobicContact CB-CZ3 3.69Å; F108-W117 HydrophobicContact CD1-CH2 4.11Å; F108-W117 AromaticContact CD1-CZ3 3.89Å; F108-W117 HydrophobicContact CD1-CZ3 3.89Å; F108-W117 AromaticContact CD2-CH2 3.72Å; F108-W117 HydrophobicContact CD2-CH2 3.72Å; F108-W117 HydrophobicContact CD2-CZ3 4.34Å; F108-W117 HydrophobicContact CE2-CH2 4.49Å; F108-W117 AromaticContact CG-CH2 3.5Å; F108-W117 HydrophobicContact CG-CH2 3.5Å; F108-W117 AromaticContact CG-CZ3 3.72Å; F108-W117 HydrophobicContact CG-CZ3 3.72Å; A110-W117 HydrophobicContact CB-CD2 4.03Å; A110-W117 HydrophobicContact CB-CG 4.17Å; A110-W117 HydrophobicContact CB-CZ2 4.21Å; P111-W117 HydrophobicContact CG-CB 4.18Å; W117-A119 HydrophobicContact CE3-CB 4.48Å; W117-A119 HydrophobicContact CH2-CB 4.2Å; W117-A119 HydrophobicContact CZ3-CB 3.66Å; W117-Q138 HydrophobicContact CH2-CB 4.45Å; W117-Q138 HydrophobicContact CZ2-CB 3.95Å; W117-Q138 WeakPolarHBondContact CZ2-O 3.45Å; W117-Q138 PolarHBondContact NE1-O 3.47Å; W117-N139 PolarHBondContact NE1-O 3.12Å; W117-N139 VanDerWaalsContact NE1-O 3.13Å; W117-A140 HydrophobicContact CD2-CB 4.3Å; W117-A140 HydrophobicContact CE3-CB 4.4Å; W117-A140 HydrophobicContact CH2-CB 3.78Å; W117-A140 HydrophobicContact CZ2-CB 3.62Å; W117-A140 HydrophobicContact CZ3-CB 4.18Å; W117-S141 WeakPolarHBondContact O-CB 3.19Å; W117-S141 PolarHBondContact O-N 2.86Å
118I97.8Very high89.5Confident0 Ų054.2 Ų54.20%032%0.32CS..EExtended strand (participates in β ladder)trans-126.5123.2-173.2-61.3-172.3000109.2E89 V90 V91 L120 A142 V144 M191 I193E89-I118 PolarHBondContact O-N 3.25Å; V90-I118 WeakPolarHBondContact CA-O 3.3Å; V91-I118 PolarHBondContact N-O 3.45Å; I118-L120 PolarHBondContact O-N 2.96Å; I118-A142 WeakPolarHBondContact CA-O 3.46Å; I118-A142 HydrophobicContact CD1-CB 4.1Å; I118-A142 HydrophobicContact CG1-CB 4.01Å; I118-A142 HydrophobicContact CG2-CB 4.12Å; I118-V144 HydrophobicContact CG2-CB 4.33Å; I118-V144 HydrophobicContact CG2-CG2 3.48Å; I118-V144 VanDerWaalsContact CG2-CG2 3.48Å; I118-M191 HydrophobicContact CD1-CB 4.23Å; I118-M191 HydrophobicContact CD1-CG 4.46Å; I118-I193 HydrophobicContact CD1-CD1 4.05Å; I118-I193 HydrophobicContact CD1-CG1 4.42Å
119A97.6Very high89.7Confident0 Ų058.5 Ų58.50%034%0.336CS..EExtended strand (participates in β ladder)trans-78.7118.1179.100000110.7V91 F108 W117 I121 A135 A142 V143 V144V91-A119 WeakPolarHBondContact O-CA 3.2Å; F108-A119 HydrophobicContact CD1-CB 4.39Å; F108-A119 HydrophobicContact CE1-CB 3.97Å; F108-A119 HydrophobicContact CZ-CB 4.26Å; W117-A119 HydrophobicContact CE3-CB 4.48Å; W117-A119 HydrophobicContact CH2-CB 4.2Å; W117-A119 HydrophobicContact CZ3-CB 3.66Å; A119-I121 HydrophobicContact CB-CD1 4.17Å; A119-I121 HydrophobicContact CB-CG1 4.28Å; A119-A135 HydrophobicContact CB-CB 3.54Å; A119-A142 PolarHBondContact N-O 3.45Å; A119-V143 HydrophobicContact CB-CG1 4.42Å; A119-V143 HydrophobicContact CB-CG2 4.49Å; A119-V144 PolarHBondContact O-N 3.4Å
120L97.8Very high89.9Confident1 Ų156.6 Ų56.61%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-95.8118.7171.8-176.768.2000109.6V90 V91 M92 I118 V144 F146 I171 I179 V180 L183V90-L120 HydrophobicContact CG1-CB 3.71Å; V90-L120 HydrophobicContact CG1-CD2 4.2Å; V90-L120 HydrophobicContact CG1-CG 4.47Å; V91-L120 PolarHBondContact O-N 3.44Å; M92-L120 HydrophobicContact CG-CB 4.16Å; M92-L120 HydrophobicContact CG-CD2 4.24Å; M92-L120 HydrophobicContact CG-CG 4.45Å; I118-L120 PolarHBondContact O-N 2.96Å; L120-V144 WeakPolarHBondContact CA-O 3.32Å; L120-V144 HydrophobicContact CD1-CB 4.13Å; L120-V144 HydrophobicContact CD1-CG1 3.77Å; L120-F146 HydrophobicContact CD1-CD1 3.77Å; L120-F146 HydrophobicContact CD1-CE1 4.34Å; L120-F146 HydrophobicContact CD2-CE1 4.49Å; L120-F146 HydrophobicContact CG-CD1 4.02Å; L120-F146 HydrophobicContact CG-CE1 4.08Å; L120-I171 HydrophobicContact CD1-CD1 4.37Å; L120-I179 HydrophobicContact CD2-CB 4.03Å; L120-I179 HydrophobicContact CD2-CG2 3.67Å; L120-V180 HydrophobicContact CD2-CG2 4.08Å; L120-L183 HydrophobicContact CD2-CD1 4.05Å
121I97.3Very high90.6Very high0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-133.4121.1-170.8-54.2172.9000110.4A101 F108 A119 K131 A135 V143 V144 I145 F146A101-I121 HydrophobicContact CB-CD1 3.81Å; A101-I121 HydrophobicContact CB-CG1 4.15Å; A101-I121 HydrophobicContact CB-CG2 3.81Å; F108-I121 HydrophobicContact CE1-CG1 4.27Å; F108-I121 HydrophobicContact CZ-CD1 4.07Å; F108-I121 HydrophobicContact CZ-CG1 4.29Å; A119-I121 HydrophobicContact CB-CD1 4.17Å; A119-I121 HydrophobicContact CB-CG1 4.28Å; I121-K131 HydrophobicContact CD1-CB 4.18Å; I121-K131 HydrophobicContact CG2-CB 4.32Å; I121-K131 HydrophobicContact CG2-CD 4.04Å; I121-K131 HydrophobicContact CG2-CG 4.13Å; I121-A135 HydrophobicContact CD1-CB 4.37Å; I121-V143 HydrophobicContact CD1-CG1 3.73Å; I121-V144 PolarHBondContact N-O 2.86Å; I121-I145 HydrophobicContact CB-CG1 4.32Å; I121-I145 VanDerWaalsContact O-CA 3.22Å; I121-I145 WeakPolarHBondContact O-CA 3.49Å; I121-F146 PolarHBondContact O-N 3.44Å; I121-F146 VanDerWaalsContact O-N 3.1Å
122P95.7Very high91.2Very high19 Ų1953.4 Ų53.412%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-59.3141167.320.9-33.2000112.8R99 L100 K131 F146 V148R99-P122 VanDerWaalsContact O-CD 3.24Å; R99-P122 WeakPolarHBondContact O-CD 3.4Å; R99-P122 WeakPolarHBondContact O-CG 3.48Å; L100-P122 HydrophobicContact CD2-CB 4.35Å; L100-P122 HydrophobicContact CD2-CG 3.99Å; P122-K131 PolarHBondContact O-NZ 3.49Å; P122-F146 HydrophobicContact CB-CE1 3.96Å; P122-F146 HydrophobicContact CB-CE2 3.9Å; P122-F146 HydrophobicContact CB-CZ 3.58Å; P122-F146 HydrophobicContact CG-CE1 4.33Å; P122-F146 HydrophobicContact CG-CZ 4.14Å; P122-V148 HydrophobicContact CB-CG2 4.04Å
123K94.4Very high92.2Very high58 Ų5854.4 Ų54.425%0.25229%0.289SS..  trans-51.5143.5159.7178.6-173.7171-157.10110.1Y128 I145 F146 N147 V148K123-Y128 HydrophobicContact CG-CE1 4.46Å; K123-I145 HydrophobicContact CB-CG2 4.47Å; K123-F146 VanDerWaalsContact CB-O 3.31Å; K123-F146 WeakPolarHBondContact CB-O 3.31Å; K123-F146 PolarHBondContact N-O 2.94Å; K123-N147 WeakPolarHBondContact CD-OD1 3.44Å; K123-N147 WeakPolarHBondContact CE-OD1 3.33Å; K123-N147 PolarHBondContact NZ-OD1 3.39Å; K123-V148 HydrophobicContact CB-CB 4.18Å; K123-V148 HydrophobicContact CB-CG2 4.12Å; K123-V148 PolarHBondContact NZ-O 3.47Å
124G90.3Very high93.6Very high37 Ų3746.3 Ų46.338%0.38125%0.251SS..  trans-162-158.2-174.300000112.2
125N90.3Very high94.9Very high147 Ų14742.5 Ų42.579%0.78621%0.212SC*.SBendtrans-84.1-15.5-173.760.3-14.6000115.5
126C92.9Very high95.3Very high29 Ų2940.6 Ų40.620%0.19620%0.204CC..SBendtrans-92.9161.3171.4610000112.6C102 K131C102-C126 WeakPolarHBondContact CA-SG 3.4Å; C102-C126 HydrophobicContact CB-CB 3.57Å; C102-C126 WeakPolarHBondContact CB-SG 3.38Å; C102-C126 WeakPolarHBondContact SG-CB 3.31Å; C102-C126 CovalentContact SG-SG 2.03Å; C102-C126 PolarHBondContact SG-SG 3.15Å; C126-K131 WeakPolarHBondContact O-CE 3.38Å
127T95.6Very high95.3Very high71 Ų7142.4 Ų42.444%0.43621%0.213SC..  trans-68.9156.8-174.282.60000112.8R129 D130 K131T127-R129 VanDerWaalsContact C-N 3.28Å; T127-R129 PolarHBondContact O-N 3.21Å; T127-R129 PolarHBondContact OG1-N 3.34Å; T127-D130 WeakPolarHBondContact CB-OD2 3.29Å; T127-D130 WeakPolarHBondContact CG2-OD2 3.16Å; T127-D130 PolarHBondContact O-N 3.42Å; T127-D130 PolarHBondContact OG1-N 3.2Å; T127-D130 PolarHBondContact OG1-OD1 3.27Å; T127-D130 PolarHBondContact OG1-OD2 2.99Å; T127-K131 WeakPolarHBondContact O-CG 3.4Å; T127-K131 PolarHBondContact O-N 2.99Å
128Y96.4Very high95.1Very high41 Ų4144.9 Ų44.916%0.16123%0.225CC..Hα-helixtrans-58.5-41.3173.5-56.5-61.4000111.8K123 D130 K131 I132 I145 I156 M158 M170K123-Y128 HydrophobicContact CG-CE1 4.46Å; Y128-D130 VanDerWaalsContact C-N 3.32Å; Y128-D130 PolarHBondContact O-N 2.95Å; Y128-K131 PolarHBondContact O-N 2.99Å; Y128-I132 WeakPolarHBondContact O-CB 3.25Å; Y128-I132 WeakPolarHBondContact O-CD1 3.27Å; Y128-I132 WeakPolarHBondContact O-CG1 3.39Å; Y128-I132 PolarHBondContact O-N 3.22Å; Y128-I145 HydrophobicContact CD1-CD1 4.03Å; Y128-I145 HydrophobicContact CD1-CG2 4.18Å; Y128-I145 HydrophobicContact CE1-CG2 4.2Å; Y128-I156 HydrophobicContact CE2-CD1 4.2Å; Y128-M158 HydrophobicContact CD1-CG 4.03Å; Y128-M158 HydrophobicContact CD1-SD 3.53Å; Y128-M158 VanDerWaalsContact CD1-SD 3.53Å; Y128-M158 HydrophobicContact CD2-CB 4Å; Y128-M158 HydrophobicContact CD2-CG 4.09Å; Y128-M158 HydrophobicContact CE1-CG 4.27Å; Y128-M158 HydrophobicContact CE1-SD 4.03Å; Y128-M158 HydrophobicContact CE2-CG 4.32Å; Y128-M158 HydrophobicContact CG-CB 4Å; Y128-M158 HydrophobicContact CG-CG 3.95Å; Y128-M158 HydrophobicContact CG-SD 3.87Å; Y128-M170 HydrophobicContact CE1-CE 3.69Å
129R96.3Very high94.9Very high104 Ų10451.2 Ų51.239%0.39226%0.259SS..Hα-helixtrans-55-45.7176.4-172.1-161.563.9-165.9-6.6112.1T127 I132 R133 H160 A161 V163T127-R129 VanDerWaalsContact C-N 3.28Å; T127-R129 PolarHBondContact O-N 3.21Å; T127-R129 PolarHBondContact OG1-N 3.34Å; R129-I132 PolarHBondContact O-N 3.19Å; R129-R133 VanDerWaalsContact O-CB 3.27Å; R129-R133 WeakPolarHBondContact O-CB 3.36Å; R129-R133 PolarHBondContact O-N 3.38Å; R129-H160 HydrophobicContact CB-CB 4.12Å; R129-A161 WeakPolarHBondContact CD-O 3.48Å; R129-V163 HydrophobicContact CG-CG2 3.75Å
130D95.4Very high94.8Very high39 Ų3951.6 Ų51.621%0.20926%0.262CS..Hα-helixtrans-71-40.7-175.1-48.5-41.6000110.8T127 Y128 I132 R133 N134T127-D130 WeakPolarHBondContact CB-OD2 3.29Å; T127-D130 WeakPolarHBondContact CG2-OD2 3.16Å; T127-D130 PolarHBondContact O-N 3.42Å; T127-D130 PolarHBondContact OG1-N 3.2Å; T127-D130 PolarHBondContact OG1-OD1 3.27Å; T127-D130 PolarHBondContact OG1-OD2 2.99Å; Y128-D130 VanDerWaalsContact C-N 3.32Å; Y128-D130 PolarHBondContact O-N 2.95Å; D130-I132 PolarHBondContact O-N 3.48Å; D130-R133 PolarHBondContact O-N 2.89Å; D130-N134 WeakPolarHBondContact O-CB 3.49Å; D130-N134 PolarHBondContact O-N 2.91Å; D130-N134 PolarHBondContact O-ND2 2.77Å; D130-N134 PolarHBondContact O-OD1 3.38Å
131K95.8Very high94.7Very high0 Ų053.2 Ų53.20%027%0.274CS..Hα-helixtrans-56.7-48.6171.2-66.3169-179.4-73.70112.1L100 I121 P122 C126 T127 Y128 N134 A135 I145L100-K131 PolarHBondContact O-NZ 2.93Å; I121-K131 HydrophobicContact CD1-CB 4.18Å; I121-K131 HydrophobicContact CG2-CB 4.32Å; I121-K131 HydrophobicContact CG2-CD 4.04Å; I121-K131 HydrophobicContact CG2-CG 4.13Å; P122-K131 PolarHBondContact O-NZ 3.49Å; C126-K131 WeakPolarHBondContact O-CE 3.38Å; T127-K131 WeakPolarHBondContact O-CG 3.4Å; T127-K131 PolarHBondContact O-N 2.99Å; Y128-K131 PolarHBondContact O-N 2.99Å; K131-N134 PolarHBondContact O-N 3.16Å; K131-A135 PolarHBondContact O-N 2.83Å; K131-I145 HydrophobicContact CB-CD1 4Å; K131-I145 HydrophobicContact CD-CD1 3.98Å
132I97.2Very high94.8Very high0 Ų053.2 Ų53.20%027%0.274CS..Hα-helixtrans-65.2-43.1-179.8-63.7160000110Y128 R129 D130 N134 A135 F136 V143 I145 H160 V163 I166 A168Y128-I132 WeakPolarHBondContact O-CB 3.25Å; Y128-I132 WeakPolarHBondContact O-CD1 3.27Å; Y128-I132 WeakPolarHBondContact O-CG1 3.39Å; Y128-I132 PolarHBondContact O-N 3.22Å; R129-I132 PolarHBondContact O-N 3.19Å; D130-I132 PolarHBondContact O-N 3.48Å; I132-N134 PolarHBondContact O-N 2.85Å; I132-A135 PolarHBondContact O-N 2.91Å; I132-F136 VanDerWaalsContact O-CB 3.27Å; I132-F136 WeakPolarHBondContact O-CB 3.29Å; I132-F136 PolarHBondContact O-N 3.45Å; I132-V143 HydrophobicContact CG1-CB 4.28Å; I132-V143 HydrophobicContact CG1-CG1 4.07Å; I132-V143 HydrophobicContact CG2-CG2 4.13Å; I132-I145 HydrophobicContact CD1-CD1 4.41Å; I132-I145 HydrophobicContact CG1-CD1 4.02Å; I132-H160 HydrophobicContact CD1-CB 3.69Å; I132-V163 HydrophobicContact CG2-CB 4.43Å; I132-V163 HydrophobicContact CG2-CG1 3.71Å; I132-I166 HydrophobicContact CG2-CG2 3.56Å; I132-A168 HydrophobicContact CD1-CB 3.55Å; I132-A168 HydrophobicContact CG1-CB 3.99Å; I132-A168 HydrophobicContact CG2-CB 4.34Å
133R96.3Very high94.9Very high129 Ų12952.3 Ų52.349%0.48727%0.268SS..Hα-helixtrans-59.5-46.2176.9-167.1178.7-170.7169.45.1112.4R129 D130 A135 F136 L137 V163R129-R133 VanDerWaalsContact O-CB 3.27Å; R129-R133 WeakPolarHBondContact O-CB 3.36Å; R129-R133 PolarHBondContact O-N 3.38Å; D130-R133 PolarHBondContact O-N 2.89Å; R133-A135 VanDerWaalsContact C-N 3.3Å; R133-A135 PolarHBondContact O-N 3.04Å; R133-F136 PolarHBondContact O-N 3.4Å; R133-L137 HydrophobicContact CG-CD1 4.04Å; R133-L137 HydrophobicContact CG-CG 4.35Å; R133-L137 WeakPolarHBondContact O-CB 3.29Å; R133-L137 VanDerWaalsContact O-CG 3.27Å; R133-L137 WeakPolarHBondContact O-CG 3.5Å; R133-L137 PolarHBondContact O-N 2.99Å; R133-V163 HydrophobicContact CB-CG2 4.07Å; R133-V163 HydrophobicContact CG-CG2 4.35Å
134N94.4Very high95.1Very high8 Ų849.5 Ų49.54%0.04326%0.256CS..Hα-helixtrans-66.8-31.8-175.7-66.5-14.9000112.2A101 C102 D103 D130 K131 I132 Q138A101-N134 PolarHBondContact O-ND2 3.45Å; C102-N134 PolarHBondContact O-ND2 2.87Å; D103-N134 PolarHBondContact O-ND2 3.38Å; D130-N134 WeakPolarHBondContact O-CB 3.49Å; D130-N134 PolarHBondContact O-N 2.91Å; D130-N134 PolarHBondContact O-ND2 2.77Å; D130-N134 PolarHBondContact O-OD1 3.38Å; K131-N134 PolarHBondContact O-N 3.16Å; I132-N134 PolarHBondContact O-N 2.85Å; N134-Q138 PolarHBondContact O-NE2 2.73Å
135A95.1Very high95.4Very high0 Ų047.8 Ų47.80%024%0.238CC..Hα-helixtrans-76-43170.200000112.9F108 A119 I121 K131 I132 R133 L137 Q138 A140 V143F108-A135 HydrophobicContact CE2-CB 4.13Å; F108-A135 HydrophobicContact CZ-CB 4.24Å; A119-A135 HydrophobicContact CB-CB 3.54Å; I121-A135 HydrophobicContact CD1-CB 4.37Å; K131-A135 PolarHBondContact O-N 2.83Å; I132-A135 PolarHBondContact O-N 2.91Å; R133-A135 VanDerWaalsContact C-N 3.3Å; R133-A135 PolarHBondContact O-N 3.04Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 3.46Å; A135-Q138 CarbonylContact O-C 3.52Å; A135-Q138 PolarHBondContact O-N 2.92Å; A135-A140 HydrophobicContact CB-CB 4.08Å; A135-A140 WeakPolarHBondContact O-CB 3.15Å; A135-A140 PolarHBondContact O-N 3.24Å; A135-V143 HydrophobicContact CB-CG2 3.75Å
136F94.9Very high95.7Very high79 Ų7941.4 Ų41.435%0.34620%0.203SC..Hα-helixtrans-58.7-41.9177.4177.7-117.2000112.6I132 R133 Q138 N139 V163 D165 I166I132-F136 VanDerWaalsContact O-CB 3.27Å; I132-F136 WeakPolarHBondContact O-CB 3.29Å; I132-F136 PolarHBondContact O-N 3.45Å; R133-F136 PolarHBondContact O-N 3.4Å; F136-Q138 PolarHBondContact O-N 2.92Å; F136-Q138 VanDerWaalsContact O-N 3.1Å; F136-N139 PolarHBondContact O-N 3.19Å; F136-V163 HydrophobicContact CD1-CG1 4.39Å; F136-D165 HydrophobicContact CE2-CB 4.05Å; F136-D165 HydrophobicContact CZ-CB 3.96Å; F136-I166 HydrophobicContact CB-CD1 4.1Å; F136-I166 HydrophobicContact CB-CG2 4.21Å; F136-I166 HydrophobicContact CD2-CB 3.78Å; F136-I166 HydrophobicContact CD2-CD1 4.01Å; F136-I166 HydrophobicContact CD2-CG1 4.47Å; F136-I166 HydrophobicContact CD2-CG2 3.91Å; F136-I166 HydrophobicContact CE2-CB 4.29Å; F136-I166 HydrophobicContact CG-CG2 4.21Å
137L93.8Very high95.8Very high120 Ų12040.4 Ų40.463%0.62820%0.196SC*.THydrogen-bonded Turntrans-62.7-14.3175.2-71.4171.5000114R133 A135R133-L137 HydrophobicContact CG-CD1 4.04Å; R133-L137 HydrophobicContact CG-CG 4.35Å; R133-L137 WeakPolarHBondContact O-CB 3.29Å; R133-L137 VanDerWaalsContact O-CG 3.27Å; R133-L137 WeakPolarHBondContact O-CG 3.5Å; R133-L137 PolarHBondContact O-N 2.99Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 3.46Å
138Q92.6Very high95.6Very high60 Ų6039.7 Ų39.728%0.2819%0.191SC..THydrogen-bonded Turntrans-104.618.5173.1-75.6165.989.900112.7T106 F108 W117 N134 A135 F136 A140T106-Q138 PolarHBondContact O-NE2 2.89Å; T106-Q138 PolarHBondContact O-OE1 3.11Å; F108-Q138 VanDerWaalsContact N-OE1 3.12Å; W117-Q138 HydrophobicContact CH2-CB 4.45Å; W117-Q138 HydrophobicContact CZ2-CB 3.95Å; W117-Q138 WeakPolarHBondContact CZ2-O 3.45Å; W117-Q138 PolarHBondContact NE1-O 3.47Å; N134-Q138 PolarHBondContact O-NE2 2.73Å; A135-Q138 CarbonylContact O-C 3.52Å; A135-Q138 PolarHBondContact O-N 2.92Å; F136-Q138 PolarHBondContact O-N 2.92Å; F136-Q138 VanDerWaalsContact O-N 3.1Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 3.48Å
139N93.7Very high95Very high133 Ų13339.8 Ų39.871%0.71120%0.204SC*.THydrogen-bonded Turntrans6039177.6-164.961.6000113.3W117 F136W117-N139 PolarHBondContact NE1-O 3.12Å; W117-N139 VanDerWaalsContact NE1-O 3.13Å; F136-N139 PolarHBondContact O-N 3.19Å
140A95.2Very high93.6Very high9 Ų939.6 Ų39.67%0.07422%0.219CC..  trans-62.2143.4166.100000110.6W117 A135 Q138 I166W117-A140 HydrophobicContact CD2-CB 4.3Å; W117-A140 HydrophobicContact CE3-CB 4.4Å; W117-A140 HydrophobicContact CH2-CB 3.78Å; W117-A140 HydrophobicContact CZ2-CB 3.62Å; W117-A140 HydrophobicContact CZ3-CB 4.18Å; A135-A140 HydrophobicContact CB-CB 4.08Å; A135-A140 WeakPolarHBondContact O-CB 3.15Å; A135-A140 PolarHBondContact O-N 3.24Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 3.48Å; A140-I166 HydrophobicContact CB-CD1 3.94Å; A140-I166 VanDerWaalsContact O-CD1 3.24Å; A140-I166 WeakPolarHBondContact O-CD1 3.37Å
141S95.6Very high92.9Very high34 Ų3442.3 Ų42.324%0.23823%0.233CC..SBendtrans-88.5-22177-50.80000112.9N116 W117N116-S141 WeakPolarHBondContact CA-OG 3.26Å; N116-S141 VanDerWaalsContact CB-OG 3.23Å; N116-S141 WeakPolarHBondContact CB-OG 3.35Å; W117-S141 WeakPolarHBondContact O-CB 3.19Å; W117-S141 PolarHBondContact O-N 2.86Å
142A97.8Very high92.2Very high0 Ų044.8 Ų44.80%025%0.249CC..EExtended strand (participates in β ladder)trans-156.9165.6168.900000110.8A86 I118 A119 V167 I193A86-A142 HydrophobicContact CB-CB 3.76Å; I118-A142 WeakPolarHBondContact CA-O 3.46Å; I118-A142 HydrophobicContact CD1-CB 4.1Å; I118-A142 HydrophobicContact CG1-CB 4.01Å; I118-A142 HydrophobicContact CG2-CB 4.12Å; A119-A142 PolarHBondContact N-O 3.45Å; A142-V167 CarbonylContact C-O 3.48Å; A142-V167 WeakPolarHBondContact CA-O 3.28Å; A142-V167 HydrophobicContact CB-CB 3.99Å; A142-V167 HydrophobicContact CB-CG1 4.25Å; A142-V167 VanDerWaalsContact CB-O 3.3Å; A142-V167 WeakPolarHBondContact CB-O 3.38Å; A142-I193 HydrophobicContact CB-CD1 3.88Å
143V98.1Very high91.9Very high0 Ų050.3 Ų50.30%028%0.278CS..EExtended strand (participates in β ladder)trans-127.4126.4175.4-172.10000109.4A119 I121 I132 A135 I145 I166 V167 A168 I169A119-V143 HydrophobicContact CB-CG1 4.42Å; A119-V143 HydrophobicContact CB-CG2 4.49Å; I121-V143 HydrophobicContact CD1-CG1 3.73Å; I132-V143 HydrophobicContact CG1-CB 4.28Å; I132-V143 HydrophobicContact CG1-CG1 4.07Å; I132-V143 HydrophobicContact CG2-CG2 4.13Å; A135-V143 HydrophobicContact CB-CG2 3.75Å; V143-I145 HydrophobicContact CG1-CD1 4.42Å; V143-I145 HydrophobicContact CG1-CG1 4.12Å; V143-I166 HydrophobicContact CG2-CD1 3.64Å; V143-I166 HydrophobicContact CG2-CG1 4.26Å; V143-V167 PolarHBondContact N-O 3.37Å; V143-A168 WeakPolarHBondContact O-CA 3.35Å; V143-I169 PolarHBondContact O-N 3.34Å
144V98.4Very high91.6Very high0 Ų049.4 Ų49.40%028%0.28CS..EExtended strand (participates in β ladder)trans-116110.1-179.51780000108I118 A119 L120 I121 I169 I171 M191 I193I118-V144 HydrophobicContact CG2-CB 4.33Å; I118-V144 HydrophobicContact CG2-CG2 3.48Å; I118-V144 VanDerWaalsContact CG2-CG2 3.48Å; A119-V144 PolarHBondContact O-N 3.4Å; L120-V144 WeakPolarHBondContact CA-O 3.32Å; L120-V144 HydrophobicContact CD1-CB 4.13Å; L120-V144 HydrophobicContact CD1-CG1 3.77Å; I121-V144 PolarHBondContact N-O 2.86Å; V144-I169 HydrophobicContact CB-CG1 4.41Å; V144-I169 HydrophobicContact CG1-CG1 4.36Å; V144-I169 HydrophobicContact CG2-CD1 4.12Å; V144-I169 HydrophobicContact CG2-CG1 3.88Å; V144-I171 HydrophobicContact CG1-CB 4.48Å; V144-I171 HydrophobicContact CG1-CD1 3.61Å; V144-I171 HydrophobicContact CG1-CG1 3.78Å; V144-I171 HydrophobicContact CG1-CG2 3.93Å; V144-M191 HydrophobicContact CG2-CE 4.44Å; V144-M191 HydrophobicContact CG2-SD 3.76Å; V144-I193 HydrophobicContact CG2-CD1 3.85Å
145I97.8Very high91.5Very high0 Ų050.2 Ų50.20%029%0.285CS..EExtended strand (participates in β ladder)trans-100.4115.7178.7-65.7176000108.7I121 K123 Y128 K131 I132 V143 M158 I169 M170 I171I121-I145 HydrophobicContact CB-CG1 4.32Å; I121-I145 VanDerWaalsContact O-CA 3.22Å; I121-I145 WeakPolarHBondContact O-CA 3.49Å; K123-I145 HydrophobicContact CB-CG2 4.47Å; Y128-I145 HydrophobicContact CD1-CD1 4.03Å; Y128-I145 HydrophobicContact CD1-CG2 4.18Å; Y128-I145 HydrophobicContact CE1-CG2 4.2Å; K131-I145 HydrophobicContact CB-CD1 4Å; K131-I145 HydrophobicContact CD-CD1 3.98Å; I132-I145 HydrophobicContact CD1-CD1 4.41Å; I132-I145 HydrophobicContact CG1-CD1 4.02Å; V143-I145 HydrophobicContact CG1-CD1 4.42Å; V143-I145 HydrophobicContact CG1-CG1 4.12Å; I145-M158 HydrophobicContact CB-CE 4.32Å; I145-M158 HydrophobicContact CB-SD 3.8Å; I145-M158 HydrophobicContact CD1-CE 4.26Å; I145-M158 HydrophobicContact CD1-SD 3.8Å; I145-M158 HydrophobicContact CG1-SD 4.28Å; I145-M158 HydrophobicContact CG2-SD 4.09Å; I145-I169 PolarHBondContact N-O 2.87Å; I145-M170 HydrophobicContact CG2-CE 4.35Å; I145-M170 CarbonylContact O-C 3.47Å; I145-M170 WeakPolarHBondContact O-CA 3.43Å; I145-M170 WeakPolarHBondContact O-CG 3.21Å; I145-I171 PolarHBondContact O-N 2.88Å
146F96.8Very high91.3Very high14 Ų1454 Ų546%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-88.2138.5175.265.7-90.2000111.4L120 I121 P122 K123 V148 I171 V180L120-F146 HydrophobicContact CD1-CD1 3.77Å; L120-F146 HydrophobicContact CD1-CE1 4.34Å; L120-F146 HydrophobicContact CD2-CE1 4.49Å; L120-F146 HydrophobicContact CG-CD1 4.02Å; L120-F146 HydrophobicContact CG-CE1 4.08Å; I121-F146 PolarHBondContact O-N 3.44Å; I121-F146 VanDerWaalsContact O-N 3.1Å; P122-F146 HydrophobicContact CB-CE1 3.96Å; P122-F146 HydrophobicContact CB-CE2 3.9Å; P122-F146 HydrophobicContact CB-CZ 3.58Å; P122-F146 HydrophobicContact CG-CE1 4.33Å; P122-F146 HydrophobicContact CG-CZ 4.14Å; K123-F146 VanDerWaalsContact CB-O 3.31Å; K123-F146 WeakPolarHBondContact CB-O 3.31Å; K123-F146 PolarHBondContact N-O 2.94Å; F146-V148 HydrophobicContact CD2-CG2 4.06Å; F146-V148 HydrophobicContact CE2-CG2 4.03Å; F146-I171 WeakPolarHBondContact CA-O 3.36Å; F146-I171 HydrophobicContact CB-CD1 4.1Å; F146-I171 HydrophobicContact CB-CG1 3.61Å; F146-V180 HydrophobicContact CE1-CG2 3.8Å; F146-V180 HydrophobicContact CZ-CG2 3.69Å
147N95.2Very high91.3Very high8 Ų851.4 Ų51.44%0.04330%0.295CS..  trans-62153.7176.2-1668.1000110.3K123 N151 E154 M170 I171 E173K123-N147 WeakPolarHBondContact CD-OD1 3.44Å; K123-N147 WeakPolarHBondContact CE-OD1 3.33Å; K123-N147 PolarHBondContact NZ-OD1 3.39Å; N147-N151 PolarHBondContact ND2-O 2.92Å; N147-E154 PolarHBondContact ND2-O 2.87Å; N147-M170 HydrophobicContact CB-SD 4.35Å; N147-I171 PolarHBondContact N-O 2.96Å; N147-E173 WeakPolarHBondContact O-CA 3.41Å; N147-E173 WeakPolarHBondContact O-CB 3.46Å; N147-E173 VanDerWaalsContact O-CG 3.23Å; N147-E173 WeakPolarHBondContact O-CG 3.26Å
148V91.8Very high91.3Very high55 Ų5545.7 Ų45.733%0.33327%0.265SS..  trans-146132178.2-176.90000108.7P122 K123 F146 E173P122-V148 HydrophobicContact CB-CG2 4.04Å; K123-V148 HydrophobicContact CB-CB 4.18Å; K123-V148 HydrophobicContact CB-CG2 4.12Å; K123-V148 PolarHBondContact NZ-O 3.47Å; F146-V148 HydrophobicContact CD2-CG2 4.06Å; F146-V148 HydrophobicContact CE2-CG2 4.03Å; V148-E173 VanDerWaalsContact CA-OE2 3.22Å; V148-E173 WeakPolarHBondContact CA-OE2 3.46Å
149G83.9Confident91.3Very high43 Ų4346.4 Ų46.444%0.44328%0.275SS..SBendtrans112.6-137.9168.300000114T152 E173G149-T152 VanDerWaalsContact O-CG2 3.23Å; G149-T152 WeakPolarHBondContact O-CG2 3.3Å; G149-E173 PolarHBondContact N-OE2 3.47Å
150S66.4Low91.4Very high100 Ų10040.2 Ų40.270%0.69924%0.242SC*.THydrogen-bonded Turntrans-65.2149170.145.10000111
151N80.6Confident91.3Very high96 Ų9642.3 Ų42.351%0.51326%0.259SS..THydrogen-bonded Turntrans59.246.1-175.7-58.421.5000113.2N147 N153 E154N147-N151 PolarHBondContact ND2-O 2.92Å; N151-N153 PolarHBondContact O-N 2.93Å; N151-E154 HydrophobicContact CB-CB 4.2Å; N151-E154 HydrophobicContact CB-CG 4.14Å; N151-E154 WeakPolarHBondContact CB-OE2 3.32Å; N151-E154 PolarHBondContact ND2-OE2 2.88Å; N151-E154 PolarHBondContact O-N 3.33Å
152T81.1Confident91Very high53 Ų5343.9 Ų43.933%0.32528%0.28SS..THydrogen-bonded Turntrans-42.3-37179.159.50000114.9G149 E173G149-T152 VanDerWaalsContact O-CG2 3.23Å; G149-T152 WeakPolarHBondContact O-CG2 3.3Å; T152-E173 WeakPolarHBondContact CG2-OE2 3.46Å; T152-E173 WeakPolarHBondContact O-CB 3.43Å; T152-E173 PolarHBondContact O-N 3.3Å
153N90.3Very high90.8Very high115 Ų11544.2 Ų44.262%0.61528%0.283SS*.THydrogen-bonded Turntrans-89.8-13.2-172-62.2-5.1000113.2N151N151-N153 PolarHBondContact O-N 2.93Å
154E89.6Confident90.5Very high111 Ų11148.5 Ų48.552%0.51930%0.302SS..  trans-90.3150.9-177.1-63.1-178.317100111.6N147 N151N147-E154 PolarHBondContact ND2-O 2.87Å; N151-E154 HydrophobicContact CB-CB 4.2Å; N151-E154 HydrophobicContact CB-CG 4.14Å; N151-E154 WeakPolarHBondContact CB-OE2 3.32Å; N151-E154 PolarHBondContact ND2-OE2 2.88Å; N151-E154 PolarHBondContact O-N 3.33Å
155T92.7Very high90.3Very high24 Ų2454.6 Ų54.615%0.14734%0.335CS..  trans-123.9137.417258.40000109.9R76 M170 P172R76-T155 WeakPolarHBondContact CB-OG1 3.29Å; R76-T155 VanDerWaalsContact CD-O 3.31Å; R76-T155 WeakPolarHBondContact CD-O 3.48Å; R76-T155 PolarHBondContact NH1-O 3.3Å; T155-M170 HydrophobicContact CG2-CG 4.04Å; T155-P172 HydrophobicContact CG2-CG 3.93Å
156I91.8Very high90.2Very high79 Ų7954.8 Ų54.841%0.40534%0.336SS..  trans-107.1155.617964.6165.5000111.1Y128 M158 M170Y128-I156 HydrophobicContact CE2-CD1 4.2Å; I156-M158 PolarHBondContact O-N 2.93Å; I156-M170 HydrophobicContact CG1-CE 3.89Å; I156-M170 HydrophobicContact CG1-SD 3.7Å; I156-M170 PolarHBondContact N-SD 3.02Å; I156-M170 VanDerWaalsContact N-SD 3.39Å
157T93.3Very high90.3Very high25 Ų2554.2 Ų54.215%0.15333%0.334CS..PPolyproline II helixtrans-66.6116.5167.4-44.80000107.3E37 R76 E79 P159E37-T157 PolarHBondContact OE1-OG1 3.45Å; R76-T157 VanDerWaalsContact CZ-OG1 3.26Å; R76-T157 VanDerWaalsContact NE-N 3.14Å; R76-T157 PolarHBondContact NE-OG1 3.06Å; R76-T157 PolarHBondContact NH2-OG1 3.33Å; E79-T157 HydrophobicContact CB-CG2 3.77Å; E79-T157 HydrophobicContact CG-CG2 4.49Å; T157-P159 VanDerWaalsContact O-CD 3.3Å; T157-P159 WeakPolarHBondContact O-CD 3.43Å
158M94.1Very high90.5Very high0 Ų053.8 Ų53.80%033%0.332CS..PPolyproline II helixtrans-81.1121.5-179.8-65.5-173.6-61.800110.6E79 Y128 I145 I156 H160 A168 I169 M170E79-M158 WeakPolarHBondContact CB-O 3.42Å; E79-M158 PolarHBondContact N-O 3.31Å; Y128-M158 HydrophobicContact CD1-CG 4.03Å; Y128-M158 HydrophobicContact CD1-SD 3.53Å; Y128-M158 VanDerWaalsContact CD1-SD 3.53Å; Y128-M158 HydrophobicContact CD2-CB 4Å; Y128-M158 HydrophobicContact CD2-CG 4.09Å; Y128-M158 HydrophobicContact CE1-CG 4.27Å; Y128-M158 HydrophobicContact CE1-SD 4.03Å; Y128-M158 HydrophobicContact CE2-CG 4.32Å; Y128-M158 HydrophobicContact CG-CB 4Å; Y128-M158 HydrophobicContact CG-CG 3.95Å; Y128-M158 HydrophobicContact CG-SD 3.87Å; I145-M158 HydrophobicContact CB-CE 4.32Å; I145-M158 HydrophobicContact CB-SD 3.8Å; I145-M158 HydrophobicContact CD1-CE 4.26Å; I145-M158 HydrophobicContact CD1-SD 3.8Å; I145-M158 HydrophobicContact CG1-SD 4.28Å; I145-M158 HydrophobicContact CG2-SD 4.09Å; I156-M158 PolarHBondContact O-N 2.93Å; M158-H160 PolarHBondContact O-CD2 3.38Å; M158-A168 HydrophobicContact CE-CB 4.28Å; M158-I169 VanDerWaalsContact CE-C 3.41Å; M158-I169 WeakPolarHBondContact CE-O 3.39Å; M158-M170 HydrophobicContact CE-CB 4.2Å; M158-M170 HydrophobicContact CG-CB 4.14Å; M158-M170 HydrophobicContact CG-CE 3.83Å; M158-M170 HydrophobicContact SD-CB 4.01Å; M158-M170 HydrophobicContact SD-CE 3.88Å
159P94.1Very high90.8Very high76 Ų7651.2 Ų51.249%0.49432%0.316SS..PPolyproline II helixtrans-76.2127.5167.430.3-33.6000110.1E79 T157E79-P159 WeakPolarHBondContact OE2-CA 3.47Å; E79-P159 WeakPolarHBondContact OE2-CB 3.45Å; T157-P159 VanDerWaalsContact O-CD 3.3Å; T157-P159 WeakPolarHBondContact O-CD 3.43Å
160H95Very high91.4Very high2 Ų249.2 Ų49.21%0.00930%0.295CS..  trans-151.936.9-178.963.584.9000114G78 S81 R129 I132 M158 V163G78-H160 WeakPolarHBondContact CA-NE2 3.35Å; S81-H160 PolarHBondContact N-CE1 2.97Å; S81-H160 VanDerWaalsContact N-CE1 3.29Å; S81-H160 PolarHBondContact N-NE2 3.32Å; R129-H160 HydrophobicContact CB-CB 4.12Å; I132-H160 HydrophobicContact CD1-CB 3.69Å; M158-H160 PolarHBondContact O-CD2 3.38Å; H160-V163 PolarHBondContact CE1-O 3.32Å; H160-V163 PolarHBondContact ND1-O 3.5Å; H160-V163 PolarHBondContact O-N 3.02Å
161A93Very high92.9Very high54 Ų5444.4 Ų44.445%0.44626%0.262SS..THydrogen-bonded Turntrans-44.8136.8179.200000113.5R129R129-A161 WeakPolarHBondContact CD-O 3.48Å
162G90.1Very high93.7Very high66 Ų6640.7 Ų40.768%0.6824%0.243SC*.THydrogen-bonded Turntrans82.29.6-177.500000115.5E164G162-E164 PolarHBondContact N-OE1 3.48Å
163V92.7Very high94.4Very high8 Ų839 Ų395%0.04823%0.231CC..  trans-139.193.9163.4-171.80000108.2R129 I132 R133 F136 H160 I166R129-V163 HydrophobicContact CG-CG2 3.75Å; I132-V163 HydrophobicContact CG2-CB 4.43Å; I132-V163 HydrophobicContact CG2-CG1 3.71Å; R133-V163 HydrophobicContact CB-CG2 4.07Å; R133-V163 HydrophobicContact CG-CG2 4.35Å; F136-V163 HydrophobicContact CD1-CG1 4.39Å; H160-V163 PolarHBondContact CE1-O 3.32Å; H160-V163 PolarHBondContact ND1-O 3.5Å; H160-V163 PolarHBondContact O-N 3.02Å; V163-I166 HydrophobicContact CG1-CG2 3.97Å
164E91.7Very high94.7Very high89 Ų8936.7 Ų36.742%0.41622%0.222SC..  trans-129.2-10-160.1-47.2-170-174.400112.8H80 P82 G162 I166H80-E164 HydrophobicContact CB-CG 4Å; H80-E164 IonicContact CD2-OE1 2.7Å; H80-E164 PolarHBondContact CD2-OE1 2.89Å; H80-E164 VanDerWaalsContact CD2-OE1 3.31Å; P82-E164 VanDerWaalsContact CD-O 3.26Å; P82-E164 WeakPolarHBondContact CD-O 3.37Å; P82-E164 WeakPolarHBondContact CG-O 3.48Å; G162-E164 PolarHBondContact N-OE1 3.48Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 3.3Å
165D94.6Very high95Very high128 Ų12832.3 Ų32.368%0.68420%0.201SC*.SBendtrans-82.6-1.6-179.1-51.2-79.3000114.3F136F136-D165 HydrophobicContact CE2-CB 4.05Å; F136-D165 HydrophobicContact CZ-CB 3.96Å
166I96.5Very high95.1Very high5 Ų531.1 Ų31.13%0.02619%0.194CC..SBendtrans-128.9134-173.1-177.2166.4000112.1P82 I132 F136 A140 V143 V163 E164 A168P82-I166 VanDerWaalsContact CD-C 3.49Å; P82-I166 WeakPolarHBondContact CD-O 3.42Å; I132-I166 HydrophobicContact CG2-CG2 3.56Å; F136-I166 HydrophobicContact CB-CD1 4.1Å; F136-I166 HydrophobicContact CB-CG2 4.21Å; F136-I166 HydrophobicContact CD2-CB 3.78Å; F136-I166 HydrophobicContact CD2-CD1 4.01Å; F136-I166 HydrophobicContact CD2-CG1 4.47Å; F136-I166 HydrophobicContact CD2-CG2 3.91Å; F136-I166 HydrophobicContact CE2-CB 4.29Å; F136-I166 HydrophobicContact CG-CG2 4.21Å; A140-I166 HydrophobicContact CB-CD1 3.94Å; A140-I166 VanDerWaalsContact O-CD1 3.24Å; A140-I166 WeakPolarHBondContact O-CD1 3.37Å; V143-I166 HydrophobicContact CG2-CD1 3.64Å; V143-I166 HydrophobicContact CG2-CG1 4.26Å; V163-I166 HydrophobicContact CG1-CG2 3.97Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 3.3Å; I166-A168 PolarHBondContact O-N 2.96Å
167V98.1Very high95.3Very high1 Ų133.1 Ų33.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-63.4105.8177.3175.40000110Y77 P82 Q84 A86 A142 V143 I169 I193Y77-V167 HydrophobicContact CE1-CG1 3.9Å; P82-V167 HydrophobicContact CG-CG2 4.04Å; Q84-V167 HydrophobicContact CG-CG2 3.46Å; Q84-V167 VanDerWaalsContact CG-CG2 3.46Å; A86-V167 HydrophobicContact CB-CB 4Å; A86-V167 HydrophobicContact CB-CG1 4.13Å; A86-V167 HydrophobicContact CB-CG2 4.02Å; A142-V167 CarbonylContact C-O 3.48Å; A142-V167 WeakPolarHBondContact CA-O 3.28Å; A142-V167 HydrophobicContact CB-CB 3.99Å; A142-V167 HydrophobicContact CB-CG1 4.25Å; A142-V167 VanDerWaalsContact CB-O 3.3Å; A142-V167 WeakPolarHBondContact CB-O 3.38Å; V143-V167 PolarHBondContact N-O 3.37Å; V167-I169 HydrophobicContact CG1-CG2 4.25Å; V167-I193 HydrophobicContact CG1-CG2 4.39Å
168A98.2Very high95.4Very high0 Ų035.3 Ų35.30%021%0.208CC..EExtended strand (participates in β ladder)trans-106.2128.6171.400000110.9G78 S81 I132 V143 M158 I166G78-A168 PolarHBondContact N-O 3.48Å; S81-A168 VanDerWaalsContact CB-O 3.29Å; S81-A168 WeakPolarHBondContact CB-O 3.41Å; S81-A168 PolarHBondContact OG-N 2.93Å; S81-A168 PolarHBondContact OG-O 2.94Å; I132-A168 HydrophobicContact CD1-CB 3.55Å; I132-A168 HydrophobicContact CG1-CB 3.99Å; I132-A168 HydrophobicContact CG2-CB 4.34Å; V143-A168 WeakPolarHBondContact O-CA 3.35Å; M158-A168 HydrophobicContact CE-CB 4.28Å; I166-A168 PolarHBondContact O-N 2.96Å
169I98.3Very high95.5Very high0 Ų035.3 Ų35.30%021%0.208CC..EExtended strand (participates in β ladder)trans-131.7150.6173.569.3167.5000111.3A42 V44 R76 Y77 V143 V144 I145 M158 V167 I171 I193A42-I169 HydrophobicContact CB-CD1 4.23Å; A42-I169 HydrophobicContact CB-CG2 4.02Å; V44-I169 HydrophobicContact CG2-CD1 3.76Å; R76-I169 CarbonylContact O-C 3.53Å; R76-I169 WeakPolarHBondContact O-CA 3.37Å; Y77-I169 HydrophobicContact CD1-CG2 4.01Å; Y77-I169 HydrophobicContact CD2-CG2 4.36Å; Y77-I169 HydrophobicContact CE1-CG2 4.19Å; Y77-I169 HydrophobicContact CG-CG2 4.09Å; V143-I169 PolarHBondContact O-N 3.34Å; V144-I169 HydrophobicContact CB-CG1 4.41Å; V144-I169 HydrophobicContact CG1-CG1 4.36Å; V144-I169 HydrophobicContact CG2-CD1 4.12Å; V144-I169 HydrophobicContact CG2-CG1 3.88Å; I145-I169 PolarHBondContact N-O 2.87Å; M158-I169 VanDerWaalsContact CE-C 3.41Å; M158-I169 WeakPolarHBondContact CE-O 3.39Å; V167-I169 HydrophobicContact CG1-CG2 4.25Å; I169-I171 HydrophobicContact CD1-CG2 3.97Å; I169-I171 HydrophobicContact CG1-CG2 4.43Å; I169-I193 HydrophobicContact CD1-CD1 3.83Å; I169-I193 HydrophobicContact CD1-CG1 4.06Å; I169-I193 HydrophobicContact CD1-CG2 4.05Å; I169-I193 HydrophobicContact CG1-CD1 4.22Å; I169-I193 HydrophobicContact CG2-CG2 4.2Å
170M97.8Very high95.6Very high1 Ų132.5 Ų32.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-98.6140.4165.3-179171.1-79.600110.5G75 R76 Y128 I145 N147 T155 I156 M158G75-M170 CarbonylContact C-O 3.59Å; G75-M170 VanDerWaalsContact CA-O 3.26Å; G75-M170 WeakPolarHBondContact CA-O 3.34Å; R76-M170 PolarHBondContact N-O 2.89Å; R76-M170 PolarHBondContact O-N 2.92Å; Y128-M170 HydrophobicContact CE1-CE 3.69Å; I145-M170 HydrophobicContact CG2-CE 4.35Å; I145-M170 CarbonylContact O-C 3.47Å; I145-M170 WeakPolarHBondContact O-CA 3.43Å; I145-M170 WeakPolarHBondContact O-CG 3.21Å; N147-M170 HydrophobicContact CB-SD 4.35Å; T155-M170 HydrophobicContact CG2-CG 4.04Å; I156-M170 HydrophobicContact CG1-CE 3.89Å; I156-M170 HydrophobicContact CG1-SD 3.7Å; I156-M170 PolarHBondContact N-SD 3.02Å; I156-M170 VanDerWaalsContact N-SD 3.39Å; M158-M170 HydrophobicContact CE-CB 4.2Å; M158-M170 HydrophobicContact CG-CB 4.14Å; M158-M170 HydrophobicContact CG-CE 3.83Å; M158-M170 HydrophobicContact SD-CB 4.01Å; M158-M170 HydrophobicContact SD-CE 3.88Å
171I97.6Very high95.6Very high0 Ų035.3 Ų35.30%021%0.21CC..EExtended strand (participates in β ladder)trans-124.1159.917265.5169.1000111.8V44 L120 V144 I145 F146 N147 I169 K175 I179V44-I171 HydrophobicContact CG2-CG2 3.9Å; L120-I171 HydrophobicContact CD1-CD1 4.37Å; V144-I171 HydrophobicContact CG1-CB 4.48Å; V144-I171 HydrophobicContact CG1-CD1 3.61Å; V144-I171 HydrophobicContact CG1-CG1 3.78Å; V144-I171 HydrophobicContact CG1-CG2 3.93Å; I145-I171 PolarHBondContact O-N 2.88Å; F146-I171 WeakPolarHBondContact CA-O 3.36Å; F146-I171 HydrophobicContact CB-CD1 4.1Å; F146-I171 HydrophobicContact CB-CG1 3.61Å; N147-I171 PolarHBondContact N-O 2.96Å; I169-I171 HydrophobicContact CD1-CG2 3.97Å; I169-I171 HydrophobicContact CG1-CG2 4.43Å; I171-K175 HydrophobicContact CD1-CG 4.41Å; I171-I179 HydrophobicContact CD1-CD1 4.2Å
172P97.3Very high95.7Very high18 Ų1833.2 Ų33.212%0.11719%0.191CC..  trans-63.3152.8176.3-23.936000113.1C74 T155 K175 G176C74-P172 HydrophobicContact CB-CG 4.11Å; C74-P172 WeakPolarHBondContact O-CD 3.21Å; T155-P172 HydrophobicContact CG2-CG 3.93Å; P172-K175 PolarHBondContact O-N 3.47Å; P172-G176 PolarHBondContact O-N 3.14Å
173E95.9Very high95.9Very high17 Ų1731.8 Ų31.88%0.07917%0.168CC..Hα-helixtrans-57.5-41.4178.3-169.2175.5155.800113.6N147 V148 G149 T152 G176 K177N147-E173 WeakPolarHBondContact O-CA 3.41Å; N147-E173 WeakPolarHBondContact O-CB 3.46Å; N147-E173 VanDerWaalsContact O-CG 3.23Å; N147-E173 WeakPolarHBondContact O-CG 3.26Å; V148-E173 VanDerWaalsContact CA-OE2 3.22Å; V148-E173 WeakPolarHBondContact CA-OE2 3.46Å; G149-E173 PolarHBondContact N-OE2 3.47Å; T152-E173 WeakPolarHBondContact CG2-OE2 3.46Å; T152-E173 WeakPolarHBondContact O-CB 3.43Å; T152-E173 PolarHBondContact O-N 3.3Å; E173-G176 PolarHBondContact O-N 2.82Å; E173-K177 HydrophobicContact CG-CD 4.06Å; E173-K177 HydrophobicContact CG-CG 4.37Å; E173-K177 WeakPolarHBondContact O-CB 3.37Å; E173-K177 PolarHBondContact O-N 3.4Å; E173-K177 WeakPolarHBondContact OE1-CE 3.34Å; E173-K177 IonicContact OE1-NZ 2.68Å; E173-K177 PolarHBondContact OE1-NZ 3.47Å
174P95.8Very high95.9Very high66 Ų6636.8 Ų36.843%0.42919%0.19SC..Hα-helixtrans-60.6-48.2178.7-25.335.7000113G176 K177 E178P174-G176 VanDerWaalsContact C-N 3.32Å; P174-G176 PolarHBondContact O-N 3.4Å; P174-K177 PolarHBondContact O-N 3.21Å; P174-E178 WeakPolarHBondContact O-CB 3.44Å; P174-E178 PolarHBondContact O-N 3.26Å
175K96.1Very high96Very high19 Ų1939.1 Ų39.18%0.08320%0.195CC..Hα-helixtrans-67.6-33.4178.4-173.659.764.1-171.90111.6I46 E70 I171 P172 E178 I179I46-K175 HydrophobicContact CD1-CD 4.46Å; E70-K175 IonicContact OE1-NZ 3.76Å; E70-K175 PolarHBondContact OE1-NZ 2.99Å; E70-K175 IonicContact OE2-NZ 2.61Å; E70-K175 PolarHBondContact OE2-NZ 3.09Å; I171-K175 HydrophobicContact CD1-CG 4.41Å; P172-K175 PolarHBondContact O-N 3.47Å; K175-E178 WeakPolarHBondContact CE-OE2 3.47Å; K175-E178 IonicContact NZ-OE1 2.69Å; K175-E178 PolarHBondContact NZ-OE1 2.99Å; K175-E178 IonicContact NZ-OE2 2.84Å; K175-E178 PolarHBondContact NZ-OE2 3.43Å; K175-I179 HydrophobicContact CD-CD1 4.44Å; K175-I179 HydrophobicContact CG-CD1 4.26Å; K175-I179 WeakPolarHBondContact O-CD1 3.46Å; K175-I179 VanDerWaalsContact O-CG1 3.3Å; K175-I179 WeakPolarHBondContact O-CG1 3.26Å; K175-I179 PolarHBondContact O-N 2.88Å
176G96Very high95.8Very high0 Ų040.1 Ų40.10%020%0.201CC..Hα-helixtrans-58.8-54.316900000112.4P172 E173 P174 E178 I179 V180P172-G176 PolarHBondContact O-N 3.14Å; E173-G176 PolarHBondContact O-N 2.82Å; P174-G176 VanDerWaalsContact C-N 3.32Å; P174-G176 PolarHBondContact O-N 3.4Å; G176-E178 VanDerWaalsContact C-N 3.31Å; G176-E178 PolarHBondContact O-N 2.98Å; G176-I179 PolarHBondContact O-N 2.99Å; G176-V180 VanDerWaalsContact O-CG2 3.26Å; G176-V180 WeakPolarHBondContact O-CG2 3.44Å; G176-V180 PolarHBondContact O-N 3.42Å
177K95.3Very high95.7Very high120 Ų12040.3 Ų40.352%0.52220%0.202SC..Hα-helixtrans-61.4-35.6179.6-79.9177.4165.1168.40113.7E173 P174 V180 S181E173-K177 HydrophobicContact CG-CD 4.06Å; E173-K177 HydrophobicContact CG-CG 4.37Å; E173-K177 WeakPolarHBondContact O-CB 3.37Å; E173-K177 PolarHBondContact O-N 3.4Å; E173-K177 WeakPolarHBondContact OE1-CE 3.34Å; E173-K177 IonicContact OE1-NZ 2.68Å; E173-K177 PolarHBondContact OE1-NZ 3.47Å; P174-K177 PolarHBondContact O-N 3.21Å; K177-V180 PolarHBondContact O-N 2.95Å; K177-S181 WeakPolarHBondContact O-CB 3.32Å; K177-S181 PolarHBondContact O-N 3.07Å
178E95.4Very high95.4Very high71 Ų7144 Ų4433%0.33222%0.224SC..Hα-helixtrans-60.3-50.2174-174.2-168.8128.900111.6P174 K175 G176 V180 S181 L182P174-E178 WeakPolarHBondContact O-CB 3.44Å; P174-E178 PolarHBondContact O-N 3.26Å; K175-E178 WeakPolarHBondContact CE-OE2 3.47Å; K175-E178 IonicContact NZ-OE1 2.69Å; K175-E178 PolarHBondContact NZ-OE1 2.99Å; K175-E178 IonicContact NZ-OE2 2.84Å; K175-E178 PolarHBondContact NZ-OE2 3.43Å; G176-E178 VanDerWaalsContact C-N 3.31Å; G176-E178 PolarHBondContact O-N 2.98Å; E178-V180 PolarHBondContact O-N 3.44Å; E178-S181 WeakPolarHBondContact O-CB 3.45Å; E178-S181 PolarHBondContact O-N 3.46Å; E178-L182 PolarHBondContact O-N 3.39Å; E178-L182 VanDerWaalsContact O-N 3.14Å
179I96.3Very high95.3Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-66.6-38.7177.5-58.5161.4000110.9I46 V90 L120 I171 K175 G176 S181 L182 L183 V189 M191I46-I179 HydrophobicContact CD1-CG1 4.31Å; I46-I179 HydrophobicContact CG2-CD1 4.04Å; I46-I179 HydrophobicContact CG2-CG1 4.32Å; V90-I179 HydrophobicContact CG1-CG2 4.07Å; L120-I179 HydrophobicContact CD2-CB 4.03Å; L120-I179 HydrophobicContact CD2-CG2 3.67Å; I171-I179 HydrophobicContact CD1-CD1 4.2Å; K175-I179 HydrophobicContact CD-CD1 4.44Å; K175-I179 HydrophobicContact CG-CD1 4.26Å; K175-I179 WeakPolarHBondContact O-CD1 3.46Å; K175-I179 VanDerWaalsContact O-CG1 3.3Å; K175-I179 WeakPolarHBondContact O-CG1 3.26Å; K175-I179 PolarHBondContact O-N 2.88Å; G176-I179 PolarHBondContact O-N 2.99Å; I179-S181 VanDerWaalsContact C-N 3.32Å; I179-S181 PolarHBondContact O-N 2.7Å; I179-L182 PolarHBondContact O-N 3.31Å; I179-L183 HydrophobicContact CG2-CD1 4.07Å; I179-L183 HydrophobicContact CG2-CG 4.43Å; I179-L183 WeakPolarHBondContact O-CG 3.33Å; I179-L183 PolarHBondContact O-N 3.24Å; I179-V189 HydrophobicContact CG2-CG1 4.35Å; I179-V189 HydrophobicContact CG2-CG2 4.44Å; I179-M191 HydrophobicContact CD1-CE 3.66Å
180V95.6Very high95.3Very high17 Ų1746.7 Ų46.710%0.10324%0.241CC..Hα-helixtrans-56.3-46172.4171.40000110.9M92 L120 F146 G176 K177 E178 L182 L183 E184M92-V180 HydrophobicContact CE-CG1 4.19Å; M92-V180 HydrophobicContact SD-CB 4.38Å; M92-V180 HydrophobicContact SD-CG1 4.2Å; M92-V180 HydrophobicContact SD-CG2 3.79Å; L120-V180 HydrophobicContact CD2-CG2 4.08Å; F146-V180 HydrophobicContact CE1-CG2 3.8Å; F146-V180 HydrophobicContact CZ-CG2 3.69Å; G176-V180 VanDerWaalsContact O-CG2 3.26Å; G176-V180 WeakPolarHBondContact O-CG2 3.44Å; G176-V180 PolarHBondContact O-N 3.42Å; K177-V180 PolarHBondContact O-N 2.95Å; E178-V180 PolarHBondContact O-N 3.44Å; V180-L182 PolarHBondContact O-N 3.4Å; V180-L183 PolarHBondContact O-N 3.16Å; V180-E184 HydrophobicContact CG1-CG 4.21Å; V180-E184 WeakPolarHBondContact O-CB 3.09Å; V180-E184 WeakPolarHBondContact O-CG 3.42Å; V180-E184 PolarHBondContact O-N 2.9Å
181S95.6Very high95.2Very high61 Ų6146.7 Ų46.743%0.42724%0.241SC..Hα-helixtrans-61.9-41179.5-175.40000112.7K177 E178 I179 R185K177-S181 WeakPolarHBondContact O-CB 3.32Å; K177-S181 PolarHBondContact O-N 3.07Å; E178-S181 WeakPolarHBondContact O-CB 3.45Å; E178-S181 PolarHBondContact O-N 3.46Å; I179-S181 VanDerWaalsContact C-N 3.32Å; I179-S181 PolarHBondContact O-N 2.7Å; S181-R185 VanDerWaalsContact O-CG 3.25Å; S181-R185 WeakPolarHBondContact O-CG 3.35Å; S181-R185 PolarHBondContact O-N 3.06Å; S181-R185 VanDerWaalsContact O-N 3.1Å
182L95.2Very high95.3Very high11 Ų1151.2 Ų51.26%0.05826%0.259CS..Hα-helixtrans-62.4-46.2174-66.3171.7000111.6Y48 E178 I179 V180 R185 N186 I187 V189Y48-L182 HydrophobicContact CD1-CD1 3.6Å; Y48-L182 HydrophobicContact CD2-CD1 4.3Å; Y48-L182 HydrophobicContact CD2-CD2 4Å; Y48-L182 HydrophobicContact CE1-CD1 3.69Å; Y48-L182 HydrophobicContact CE2-CD1 4.38Å; Y48-L182 HydrophobicContact CE2-CD2 3.86Å; Y48-L182 HydrophobicContact CG-CD1 3.92Å; Y48-L182 HydrophobicContact CG-CD2 4.43Å; E178-L182 PolarHBondContact O-N 3.39Å; E178-L182 VanDerWaalsContact O-N 3.14Å; I179-L182 PolarHBondContact O-N 3.31Å; V180-L182 PolarHBondContact O-N 3.4Å; L182-R185 CarbonylContact O-C 3.56Å; L182-R185 PolarHBondContact O-N 3.39Å; L182-N186 PolarHBondContact O-N 3.01Å; L182-I187 HydrophobicContact CB-CB 4.45Å; L182-I187 HydrophobicContact CD2-CD1 4.04Å; L182-I187 WeakPolarHBondContact O-CB 3.3Å; L182-I187 PolarHBondContact O-N 3.36Å; L182-V189 HydrophobicContact CB-CG2 3.67Å; L182-V189 HydrophobicContact CD1-CG2 3.87Å; L182-V189 HydrophobicContact CG-CG2 4.43Å
183L93.8Very high95.3Very high36 Ų3650.4 Ų50.419%0.18825%0.253CS..Hα-helixtrans-67-37.5179.5-66.8172.6000112.6V90 M92 L120 I179 V180 R185 N186 V189V90-L183 HydrophobicContact CG1-CD1 4.1Å; V90-L183 WeakPolarHBondContact O-CD2 3.47Å; M92-L183 HydrophobicContact CE-CB 3.8Å; M92-L183 HydrophobicContact CE-CD1 4.09Å; M92-L183 HydrophobicContact CG-CD1 4.06Å; L120-L183 HydrophobicContact CD2-CD1 4.05Å; I179-L183 HydrophobicContact CG2-CD1 4.07Å; I179-L183 HydrophobicContact CG2-CG 4.43Å; I179-L183 WeakPolarHBondContact O-CG 3.33Å; I179-L183 PolarHBondContact O-N 3.24Å; V180-L183 PolarHBondContact O-N 3.16Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 3.45Å; L183-N186 WeakPolarHBondContact O-CA 3.4Å; L183-N186 PolarHBondContact O-N 3.47Å; L183-V189 HydrophobicContact CD2-CB 4.39Å; L183-V189 HydrophobicContact CD2-CG2 4.19Å; L183-V189 HydrophobicContact CG-CG2 4.41Å
184E92.9Very high95.4Very high112 Ų11250.5 Ų50.552%0.52326%0.255SS..Hα-helixtrans-68.3-25.2174.5-73-175.7151.300112.9M92 R99 V180 N186M92-E184 HydrophobicContact CE-CG 4.35Å; R99-E184 IonicContact CZ-OE1 3.91Å; R99-E184 IonicContact NH1-OE1 3.97Å; R99-E184 PolarHBondContact NH1-OE1 3.39Å; R99-E184 IonicContact NH2-OE1 3.19Å; R99-E184 PolarHBondContact NH2-OE1 3.32Å; V180-E184 HydrophobicContact CG1-CG 4.21Å; V180-E184 WeakPolarHBondContact O-CB 3.09Å; V180-E184 WeakPolarHBondContact O-CG 3.42Å; V180-E184 PolarHBondContact O-N 2.9Å; E184-N186 PolarHBondContact O-N 3.48Å
185R92.9Very high95.5Very high138 Ų13850.9 Ų50.952%0.52125%0.253SS..THydrogen-bonded Turntrans-80.77.7168.5-67.7171.764.7-148.4-3.3113.5E50 S181 L182 L183 I187E50-R185 IonicContact OE1-CZ 3.14Å; E50-R185 IonicContact OE1-NH1 2.69Å; E50-R185 PolarHBondContact OE1-NH1 3.06Å; E50-R185 IonicContact OE1-NH2 2.68Å; E50-R185 PolarHBondContact OE1-NH2 2.89Å; S181-R185 VanDerWaalsContact O-CG 3.25Å; S181-R185 WeakPolarHBondContact O-CG 3.35Å; S181-R185 PolarHBondContact O-N 3.06Å; S181-R185 VanDerWaalsContact O-N 3.1Å; L182-R185 CarbonylContact O-C 3.56Å; L182-R185 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 3.45Å; R185-I187 HydrophobicContact CB-CD1 4.17Å; R185-I187 HydrophobicContact CB-CG1 4.16Å; R185-I187 PolarHBondContact O-N 3.01Å
186N92.1Very high95.4Very high149 Ų14950.8 Ų50.880%0.79726%0.257SS*.THydrogen-bonded Turntrans57.533.4-176-159.897.6000112.9L182 L183 E184L182-N186 PolarHBondContact O-N 3.01Å; L183-N186 WeakPolarHBondContact O-CA 3.4Å; L183-N186 PolarHBondContact O-N 3.47Å; E184-N186 PolarHBondContact O-N 3.48Å
187I93.3Very high95.4Very high9 Ų954.1 Ų54.15%0.04628%0.278CS..PPolyproline II helixtrans-92.8121.4172.3-58.8175.2000108.3Y48 E50 L182 R185 V189Y48-I187 HydrophobicContact CD2-CG2 4.22Å; E50-I187 HydrophobicContact CG-CD1 4.46Å; L182-I187 HydrophobicContact CB-CB 4.45Å; L182-I187 HydrophobicContact CD2-CD1 4.04Å; L182-I187 WeakPolarHBondContact O-CB 3.3Å; L182-I187 PolarHBondContact O-N 3.36Å; R185-I187 HydrophobicContact CB-CD1 4.17Å; R185-I187 HydrophobicContact CB-CG1 4.16Å; R185-I187 PolarHBondContact O-N 3.01Å; I187-V189 PolarHBondContact O-N 2.76Å
188T93Very high95.2Very high78 Ų7855.8 Ų55.848%0.47928%0.281SS..PPolyproline II helixtrans-66.5117.1174-64.80000110.3E89E89-T188 HydrophobicContact CG-CG2 3.71Å; E89-T188 WeakPolarHBondContact OE1-CG2 3.49Å
189V96Very high94.8Very high0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-101.1127.5171.7-174.10000109.2I46 V90 I179 L182 L183 I187I46-V189 HydrophobicContact CB-CG1 4.11Å; I46-V189 HydrophobicContact CG2-CG1 4.14Å; V90-V189 HydrophobicContact CB-CB 4.33Å; V90-V189 HydrophobicContact CG2-CB 4.3Å; V90-V189 HydrophobicContact CG2-CG1 4.09Å; V90-V189 PolarHBondContact N-O 3.04Å; I179-V189 HydrophobicContact CG2-CG1 4.35Å; I179-V189 HydrophobicContact CG2-CG2 4.44Å; L182-V189 HydrophobicContact CB-CG2 3.67Å; L182-V189 HydrophobicContact CD1-CG2 3.87Å; L182-V189 HydrophobicContact CG-CG2 4.43Å; L183-V189 HydrophobicContact CD2-CB 4.39Å; L183-V189 HydrophobicContact CD2-CG2 4.19Å; L183-V189 HydrophobicContact CG-CG2 4.41Å; I187-V189 PolarHBondContact O-N 2.76Å
190T96.4Very high94.1Very high58 Ų5858.9 Ų58.936%0.35630%0.299SS..EExtended strand (participates in β ladder)trans-106.1131.7167.3-66.40000109.2T47T47-T190 PolarHBondContact N-O 3.43Å; T47-T190 PolarHBondContact O-N 3.48Å; T47-T190 WeakPolarHBondContact OG1-CB 3.24Å; T47-T190 PolarHBondContact OG1-O 2.75Å
191M97.5Very high92.8Very high0 Ų062.1 Ų62.10%031%0.313CS..EExtended strand (participates in β ladder)trans-115.4142-179.4-178.9-174-67.200111.3V44 N45 I46 R87 G88 V90 I118 V144 I179 I193V44-M191 HydrophobicContact CG1-CE 3.79Å; V44-M191 HydrophobicContact CG1-CG 4.13Å; V44-M191 HydrophobicContact CG1-SD 3.87Å; N45-M191 CarbonylContact O-C 3.53Å; N45-M191 WeakPolarHBondContact O-CA 3.35Å; I46-M191 HydrophobicContact CG2-CB 4.36Å; I46-M191 HydrophobicContact CG2-CE 3.87Å; I46-M191 HydrophobicContact CG2-CG 4.28Å; R87-M191 WeakPolarHBondContact CA-O 3.28Å; G88-M191 PolarHBondContact N-O 3.06Å; G88-M191 PolarHBondContact O-N 2.94Å; V90-M191 HydrophobicContact CG2-CB 3.47Å; V90-M191 VanDerWaalsContact CG2-CB 3.47Å; V90-M191 HydrophobicContact CG2-CE 4.18Å; I118-M191 HydrophobicContact CD1-CB 4.23Å; I118-M191 HydrophobicContact CD1-CG 4.46Å; V144-M191 HydrophobicContact CG2-CE 4.44Å; V144-M191 HydrophobicContact CG2-SD 3.76Å; I179-M191 HydrophobicContact CD1-CE 3.66Å; M191-I193 HydrophobicContact CG-CG1 4.14Å; M191-I193 HydrophobicContact SD-CD1 4.13Å; M191-I193 HydrophobicContact SD-CG1 3.87Å
192Y97.9Very high91.1Very high96 Ų9667.1 Ų67.138%0.37633%0.327SS..EExtended strand (participates in β ladder)trans-122121.9167.8-175.6-141.3000109.4N45 D85 A86 R87 T194N45-Y192 WeakPolarHBondContact CB-O 3.27Å; N45-Y192 PolarHBondContact N-O 3.14Å; N45-Y192 PolarHBondContact O-N 3.24Å; D85-Y192 HydrophobicContact CB-CE2 4.12Å; D85-Y192 PolarHBondContact OD2-OH 3.41Å; A86-Y192 WeakPolarHBondContact O-CD2 3.23Å; R87-Y192 HydrophobicContact CB-CD2 3.73Å; R87-Y192 HydrophobicContact CB-CE2 4.42Å; Y192-T194 HydrophobicContact CD1-CG2 3.82Å; Y192-T194 HydrophobicContact CD2-CG2 4.41Å; Y192-T194 HydrophobicContact CE1-CG2 3.42Å; Y192-T194 VanDerWaalsContact CE1-CG2 3.42Å; Y192-T194 HydrophobicContact CE2-CG2 4.05Å; Y192-T194 HydrophobicContact CG-CG2 4.31Å
193I98.3Very high89.4Confident0 Ų071.7 Ų71.70%034%0.344CS..EExtended strand (participates in β ladder)trans-102.7126.2178.3-57.9171.1000107.1A42 F43 D85 A86 I118 A142 V144 V167 I169 M191A42-I193 HydrophobicContact CB-CG2 3.97Å; F43-I193 WeakPolarHBondContact O-CA 3.29Å; D85-I193 VanDerWaalsContact CA-O 3.29Å; D85-I193 WeakPolarHBondContact CA-O 3.34Å; A86-I193 PolarHBondContact N-O 3.41Å; A86-I193 PolarHBondContact O-N 2.92Å; I118-I193 HydrophobicContact CD1-CD1 4.05Å; I118-I193 HydrophobicContact CD1-CG1 4.42Å; A142-I193 HydrophobicContact CB-CD1 3.88Å; V144-I193 HydrophobicContact CG2-CD1 3.85Å; V167-I193 HydrophobicContact CG1-CG2 4.39Å; I169-I193 HydrophobicContact CD1-CD1 3.83Å; I169-I193 HydrophobicContact CD1-CG1 4.06Å; I169-I193 HydrophobicContact CD1-CG2 4.05Å; I169-I193 HydrophobicContact CG1-CD1 4.22Å; I169-I193 HydrophobicContact CG2-CG2 4.2Å; M191-I193 HydrophobicContact CG-CG1 4.14Å; M191-I193 HydrophobicContact SD-CD1 4.13Å; M191-I193 HydrophobicContact SD-CG1 3.87Å
194T97.8Very high87.7Confident20 Ų2074.6 Ų74.612%0.12336%0.363CS..EExtended strand (participates in β ladder)trans-126155.7171.181.30000112A42 F43 D85 Y192 G196A42-T194 CarbonylContact C-O 3.6Å; A42-T194 WeakPolarHBondContact CA-O 3.14Å; F43-T194 PolarHBondContact N-O 3.33Å; F43-T194 PolarHBondContact O-N 3.03Å; D85-T194 VanDerWaalsContact OD1-CA 3.23Å; D85-T194 WeakPolarHBondContact OD1-CA 3.49Å; D85-T194 WeakPolarHBondContact OD1-CB 3.34Å; D85-T194 WeakPolarHBondContact OD2-CG2 3.48Å; Y192-T194 HydrophobicContact CD1-CG2 3.82Å; Y192-T194 HydrophobicContact CD2-CG2 4.41Å; Y192-T194 HydrophobicContact CE1-CG2 3.42Å; Y192-T194 VanDerWaalsContact CE1-CG2 3.42Å; Y192-T194 HydrophobicContact CE2-CG2 4.05Å; Y192-T194 HydrophobicContact CG-CG2 4.31Å; T194-G196 PolarHBondContact O-N 2.87Å
195I97.3Very high86.4Confident74 Ų7471.9 Ų71.938%0.37936%0.357SS..EExtended strand (participates in β ladder)trans-57134.1175.4-48.2168.9000109.8Y40 Y77 K83 D85Y40-I195 HydrophobicContact CD1-CG2 4.35Å; Y77-I195 PolarHBondContact OH-N 2.77Å; K83-I195 WeakPolarHBondContact O-CD1 3.47Å; D85-I195 PolarHBondContact OD1-N 3.3Å
196G95.7Very high85.3Confident17 Ų1776 Ų7618%0.17537%0.372CS..EExtended strand (participates in β ladder)trans-108.6-155.717700000113.8T41 T194T41-G196 WeakPolarHBondContact O-CA 3.33Å; T41-G196 PolarHBondContact O-N 2.66Å; T41-G196 VanDerWaalsContact OG1-CA 3.32Å; T41-G196 WeakPolarHBondContact OG1-CA 3.3Å; T194-G196 PolarHBondContact O-N 2.87Å
197T94.3Very high84.3Confident70 Ų7074.1 Ų74.143%0.42937%0.366SS..EExtended strand (participates in β ladder)trans-62.7132.717654.90000113.5T41 E73 N199T41-T197 PolarHBondContact N-O 3.47Å; T41-T197 PolarHBondContact OG1-N 2.97Å; T41-T197 PolarHBondContact OG1-O 3.28Å; T41-T197 PolarHBondContact OG1-OG1 2.84Å; E73-T197 WeakPolarHBondContact OE1-CB 3.5Å; E73-T197 WeakPolarHBondContact OE1-CG2 3.24Å; E73-T197 PolarHBondContact OE1-N 3.22Å; E73-T197 VanDerWaalsContact OE1-N 3.11Å; E73-T197 PolarHBondContact OE1-OG1 3.31Å; T197-N199 PolarHBondContact O-N 3.45Å; T197-N199 PolarHBondContact O-ND2 2.76Å; T197-N199 PolarHBondContact OG1-ND2 2.9Å
198R92.9Very high83.4Confident155 Ų15574 Ų7459%0.58537%0.366SS*.EExtended strand (participates in β ladder)trans-78.4109.6168.5-179.3-177.8-170.9-176.97.9109E38 Y40E38-R198 VanDerWaalsContact CD-NE 3.29Å; E38-R198 HydrophobicContact CG-CG 4.46Å; E38-R198 IonicContact OE1-CZ 3.89Å; E38-R198 IonicContact OE1-NE 2.75Å; E38-R198 PolarHBondContact OE1-NE 3.29Å; E38-R198 IonicContact OE1-NH2 3.14Å; E38-R198 PolarHBondContact OE1-NH2 3.47Å; E38-R198 IonicContact OE2-CZ 3.5Å; E38-R198 IonicContact OE2-NE 2.69Å; E38-R198 IonicContact OE2-NH2 2.76Å; E38-R198 PolarHBondContact OE2-NH2 3.35Å; Y40-R198 HydrophobicContact CD1-CB 4.01Å; Y40-R198 HydrophobicContact CD1-CG 4.32Å; Y40-R198 HydrophobicContact CE1-CB 3.68Å; Y40-R198 HydrophobicContact CE1-CG 3.69Å; Y40-R198 HydrophobicContact CE2-CG 4.26Å; Y40-R198 WeakPolarHBondContact OH-CD 3.29Å; Y40-R198 PolarHBondContact OH-NE 3.13Å
199N87.2Confident82.5Confident52 Ų5273.9 Ų73.928%0.27837%0.365SS..EExtended strand (participates in β ladder)trans-98.3142.4-179.2-77.4-90.5000110.5W39 T197W39-N199 HydrophobicContact CD2-CB 3.71Å; W39-N199 VanDerWaalsContact CE2-CB 3.41Å; W39-N199 HydrophobicContact CE3-CB 4.06Å; W39-N199 HydrophobicContact CG-CB 4.31Å; W39-N199 HydrophobicContact CH2-CB 3.93Å; W39-N199 HydrophobicContact CZ2-CB 3.54Å; W39-N199 HydrophobicContact CZ3-CB 4.18Å; W39-N199 PolarHBondContact N-O 2.87Å; W39-N199 VanDerWaalsContact N-O 3.15Å; W39-N199 PolarHBondContact O-N 3.23Å; T197-N199 PolarHBondContact O-N 3.45Å; T197-N199 PolarHBondContact O-ND2 2.76Å; T197-N199 PolarHBondContact OG1-ND2 2.9Å
200L81.5Confident81.6Confident83 Ų8377.8 Ų77.844%0.43539%0.389SS..EExtended strand (participates in β ladder)trans-134.191.2-173.8-155.776.5000111.6K36 E38 K202K36-L200 HydrophobicContact CD-CD1 4.17Å; K36-L200 HydrophobicContact CG-CD1 3.83Å; K36-L200 HydrophobicContact CG-CD2 4.45Å; K36-L200 HydrophobicContact CG-CG 4.22Å; E38-L200 HydrophobicContact CB-CD1 3.75Å; E38-L200 HydrophobicContact CG-CD1 3.83Å; L200-K202 PolarHBondContact O-N 3.08Å
201Q66.3Low80.7Confident85 Ų8580 Ų8040%0.39739%0.394SS..EExtended strand (participates in β ladder)trans-89.299.3-176.4-161.7152.6-13.500110.4E37 Y203E37-Q201 PolarHBondContact O-N 3.06Å; E37-Q201 VanDerWaalsContact O-N 3.13Å; Q201-Y203 HydrophobicContact CB-CD2 4.07Å; Q201-Y203 HydrophobicContact CB-CE2 3.7Å; Q201-Y203 VanDerWaalsContact CD-OH 3.28Å; Q201-Y203 HydrophobicContact CG-CD1 4.35Å; Q201-Y203 HydrophobicContact CG-CD2 3.86Å; Q201-Y203 HydrophobicContact CG-CE1 4.02Å; Q201-Y203 HydrophobicContact CG-CE2 3.49Å; Q201-Y203 VanDerWaalsContact CG-CE2 3.49Å; Q201-Y203 HydrophobicContact CG-CG 4.29Å; Q201-Y203 VanDerWaalsContact NE2-CZ 3.34Å; Q201-Y203 PolarHBondContact NE2-OH 3.47Å; Q201-Y203 WeakPolarHBondContact O-CD2 3.11Å; Q201-Y203 PolarHBondContact O-N 3.12Å; Q201-Y203 PolarHBondContact OE1-OH 2.94Å
202K60.9Low79.8Confident166 Ų16682 Ų8272%0.72241%0.406SS*.EExtended strand (participates in β ladder)trans-73.190171.1-68.8-173.2178.7-175.40109.6L200 V204L200-K202 PolarHBondContact O-N 3.08Å; K202-V204 PolarHBondContact O-N 3.46Å
203Y59.4Low79Confident108 Ų10880 Ų8042%0.42441%0.406SS..  trans-75.389.1177.2-76.2-78.7000111.6A34 E37 Q201 S205A34-Y203 WeakPolarHBondContact CB-O 3.46Å; E37-Y203 HydrophobicContact CB-CD2 4.22Å; E37-Y203 HydrophobicContact CB-CE2 4Å; E37-Y203 WeakPolarHBondContact OE2-CE2 3.27Å; Q201-Y203 HydrophobicContact CB-CD2 4.07Å; Q201-Y203 HydrophobicContact CB-CE2 3.7Å; Q201-Y203 VanDerWaalsContact CD-OH 3.28Å; Q201-Y203 HydrophobicContact CG-CD1 4.35Å; Q201-Y203 HydrophobicContact CG-CD2 3.86Å; Q201-Y203 HydrophobicContact CG-CE1 4.02Å; Q201-Y203 HydrophobicContact CG-CE2 3.49Å; Q201-Y203 VanDerWaalsContact CG-CE2 3.49Å; Q201-Y203 HydrophobicContact CG-CG 4.29Å; Q201-Y203 VanDerWaalsContact NE2-CZ 3.34Å; Q201-Y203 PolarHBondContact NE2-OH 3.47Å; Q201-Y203 WeakPolarHBondContact O-CD2 3.11Å; Q201-Y203 PolarHBondContact O-N 3.12Å; Q201-Y203 PolarHBondContact OE1-OH 2.94Å; Y203-S205 PolarHBondContact O-N 3.01Å
204V59.1Low78.3Confident97 Ų9784.6 Ų84.659%0.58843%0.43SS*.  trans-64.6103.6161.5-178.60000107.4K202 R206 V209K202-V204 PolarHBondContact O-N 3.46Å; V204-R206 PolarHBondContact O-N 2.69Å; V204-V209 HydrophobicContact CG1-CG2 3.52Å
205S65.3Low77.6Confident54 Ų5485.3 Ų85.338%0.37844%0.436SS..  trans-67.3128.8-176.263.80000109.9Y203 T207 S208 V209Y203-S205 PolarHBondContact O-N 3.01Å; S205-T207 PolarHBondContact O-N 2.8Å; S205-T207 VanDerWaalsContact O-N 3.11Å; S205-S208 PolarHBondContact O-N 3.06Å; S205-S208 PolarHBondContact O-OG 2.72Å; S205-S208 VanDerWaalsContact O-OG 3.13Å; S205-S208 WeakPolarHBondContact OG-CB 3.5Å; S205-S208 PolarHBondContact OG-N 3.25Å; S205-S208 PolarHBondContact OG-OG 3.32Å; S205-V209 PolarHBondContact O-N 3.29Å
206R69.6Low76.9Confident224 Ų22488.2 Ų88.285%0.84545%0.446SS*.Hα-helixtrans-59.9-27.5-179-66-168.4-178.6-157.32.7111.9V204 V210V204-R206 PolarHBondContact O-N 2.69Å; R206-V210 VanDerWaalsContact O-CG2 3.3Å; R206-V210 WeakPolarHBondContact O-CG2 3.35Å; R206-V210 PolarHBondContact O-N 3.17Å; R206-V210 VanDerWaalsContact O-N 3.12Å
207T70.4Confident76.4Confident110 Ų11091.6 Ų91.668%0.67546%0.459SS*.Hα-helixtrans-66-40.1173.742.70000113.3S205 V210 F211S205-T207 PolarHBondContact O-N 2.8Å; S205-T207 VanDerWaalsContact O-N 3.11Å; T207-V210 PolarHBondContact O-N 3.35Å; T207-F211 WeakPolarHBondContact O-CB 3.3Å; T207-F211 PolarHBondContact O-N 2.84Å
208S73.8Confident75.9Confident6 Ų691.7 Ų91.74%0.04246%0.459CS..Hα-helixtrans-69-39.6177.275.10000111.8F31 S205 V210 F211 V212F31-S208 PolarHBondContact O-OG 3.09Å; S205-S208 PolarHBondContact O-N 3.06Å; S205-S208 PolarHBondContact O-OG 2.72Å; S205-S208 VanDerWaalsContact O-OG 3.13Å; S205-S208 WeakPolarHBondContact OG-CB 3.5Å; S205-S208 PolarHBondContact OG-N 3.25Å; S205-S208 PolarHBondContact OG-OG 3.32Å; S208-V210 PolarHBondContact O-N 3.15Å; S208-F211 PolarHBondContact O-N 3.28Å; S208-V212 WeakPolarHBondContact O-CB 3.47Å; S208-V212 WeakPolarHBondContact O-CG2 3.27Å; S208-V212 PolarHBondContact O-N 3.42Å
209V73.9Confident75.4Confident77 Ų7787 Ų8747%0.46745%0.445SS..Hα-helixtrans-61.8-42.2175.7-178.40000111.6V204 S205 S213V204-V209 HydrophobicContact CG1-CG2 3.52Å; S205-V209 PolarHBondContact O-N 3.29Å; V209-S213 WeakPolarHBondContact O-CB 3.46Å; V209-S213 PolarHBondContact O-N 3.04Å; V209-S213 PolarHBondContact O-OG 3.35Å
210V78.1Confident75.2Confident81 Ų8188.7 Ų88.749%0.49145%0.453SS..Hα-helixtrans-66.4-42.4175.1169.90000111.2R206 T207 S208 S213 I214R206-V210 VanDerWaalsContact O-CG2 3.3Å; R206-V210 WeakPolarHBondContact O-CG2 3.35Å; R206-V210 PolarHBondContact O-N 3.17Å; R206-V210 VanDerWaalsContact O-N 3.12Å; T207-V210 PolarHBondContact O-N 3.35Å; S208-V210 PolarHBondContact O-N 3.15Å; V210-S213 WeakPolarHBondContact CA-OG 3.27Å; V210-S213 PolarHBondContact O-N 3.03Å; V210-S213 PolarHBondContact O-OG 2.85Å; V210-S213 VanDerWaalsContact O-OG 3.08Å; V210-I214 HydrophobicContact CG1-CD1 3.65Å; V210-I214 HydrophobicContact CG1-CG1 4.42Å; V210-I214 WeakPolarHBondContact O-CB 3.17Å; V210-I214 VanDerWaalsContact O-CG1 3.26Å; V210-I214 WeakPolarHBondContact O-CG1 3.32Å; V210-I214 PolarHBondContact O-N 3Å
211F77.4Confident75.6Confident104 Ų10489.3 Ų89.346%0.45646%0.456SS..Hα-helixtrans-63.3-45177.6-176.8-101.4000113F31 T207 S208 S215F31-F211 HydrophobicContact CD2-CD1 4.37Å; F31-F211 HydrophobicContact CD2-CE1 4.41Å; F31-F211 HydrophobicContact CE2-CD1 4.22Å; F31-F211 HydrophobicContact CE2-CE1 4.06Å; T207-F211 WeakPolarHBondContact O-CB 3.3Å; T207-F211 PolarHBondContact O-N 2.84Å; S208-F211 PolarHBondContact O-N 3.28Å; F211-S215 WeakPolarHBondContact O-CB 3.44Å; F211-S215 PolarHBondContact O-N 3.39Å; F211-S215 PolarHBondContact O-OG 3.03Å
212V78.2Confident76.6Confident42 Ų4289.7 Ų89.726%0.25546%0.459SS..Hα-helixtrans-61.6-47.2176.4163.30000111.5C28 S208 S215 F216C28-V212 HydrophobicContact CB-CG2 4.46Å; S208-V212 WeakPolarHBondContact O-CB 3.47Å; S208-V212 WeakPolarHBondContact O-CG2 3.27Å; S208-V212 PolarHBondContact O-N 3.42Å; V212-S215 PolarHBondContact O-N 2.82Å; V212-F216 PolarHBondContact O-N 3.13Å
213S81.8Confident77.7Confident56 Ų5683.1 Ų83.139%0.39243%0.434SS..Hα-helixtrans-67.3-40.8-178.950.50000113V209 V210 S215 F216 I217V209-S213 WeakPolarHBondContact O-CB 3.46Å; V209-S213 PolarHBondContact O-N 3.04Å; V209-S213 PolarHBondContact O-OG 3.35Å; V210-S213 WeakPolarHBondContact CA-OG 3.27Å; V210-S213 PolarHBondContact O-N 3.03Å; V210-S213 PolarHBondContact O-OG 2.85Å; V210-S213 VanDerWaalsContact O-OG 3.08Å; S213-S215 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 3.11Å; S213-F216 PolarHBondContact O-N 3.25Å; S213-I217 WeakPolarHBondContact O-CD1 3.4Å; S213-I217 VanDerWaalsContact O-CG1 3.32Å; S213-I217 WeakPolarHBondContact O-CG1 3.42Å; S213-I217 PolarHBondContact O-N 2.87Å; S213-I217 VanDerWaalsContact O-N 3.14Å
214I84.2Confident79.1Confident95 Ų9582.2 Ų82.249%0.48744%0.436SS..Hα-helixtrans-60.5-44.9172.8-69.4168.8000110.6V210 F216 I217 V218V210-I214 HydrophobicContact CG1-CD1 3.65Å; V210-I214 HydrophobicContact CG1-CG1 4.42Å; V210-I214 WeakPolarHBondContact O-CB 3.17Å; V210-I214 VanDerWaalsContact O-CG1 3.26Å; V210-I214 WeakPolarHBondContact O-CG1 3.32Å; V210-I214 PolarHBondContact O-N 3Å; I214-F216 VanDerWaalsContact C-N 3.34Å; I214-F216 PolarHBondContact O-N 3.33Å; I214-I217 PolarHBondContact O-N 3.06Å; I214-V218 HydrophobicContact CG2-CG2 4.48Å; I214-V218 WeakPolarHBondContact O-CG2 3.48Å; I214-V218 PolarHBondContact O-N 3.42Å
215S82.7Confident80.6Confident36 Ų3680.4 Ų80.425%0.25243%0.431SS..Hα-helixtrans-59.4-44.6-179.7-60.50000111.9F211 V212 S213 V218 L219F211-S215 WeakPolarHBondContact O-CB 3.44Å; F211-S215 PolarHBondContact O-N 3.39Å; F211-S215 PolarHBondContact O-OG 3.03Å; V212-S215 PolarHBondContact O-N 2.82Å; S213-S215 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 3.11Å; S215-V218 PolarHBondContact O-N 2.8Å; S215-L219 VanDerWaalsContact O-CD1 3.31Å; S215-L219 WeakPolarHBondContact O-CD1 3.38Å; S215-L219 VanDerWaalsContact O-CG 3.3Å; S215-L219 WeakPolarHBondContact O-CG 3.43Å; S215-L219 PolarHBondContact O-N 3.01Å
216F82.4Confident81.8Confident135 Ų13586.5 Ų86.559%0.59245%0.446SS*.Hα-helixtrans-61.1-44.5176.3-178.1-97.8000112.8V212 S213 I214 V218 L219 M220V212-F216 PolarHBondContact O-N 3.13Å; S213-F216 PolarHBondContact O-N 3.25Å; I214-F216 VanDerWaalsContact C-N 3.34Å; I214-F216 PolarHBondContact O-N 3.33Å; F216-V218 PolarHBondContact O-N 2.83Å; F216-L219 PolarHBondContact O-N 2.88Å; F216-M220 PolarHBondContact O-N 3.01Å
217I84.2Confident82.5Confident87 Ų8780 Ų8045%0.44643%0.428SS..Hα-helixtrans-62.3-43.2179.2-68.3163.7000111.3S213 I214 L219 M220 I221S213-I217 WeakPolarHBondContact O-CD1 3.4Å; S213-I217 VanDerWaalsContact O-CG1 3.32Å; S213-I217 WeakPolarHBondContact O-CG1 3.42Å; S213-I217 PolarHBondContact O-N 2.87Å; S213-I217 VanDerWaalsContact O-N 3.14Å; I214-I217 PolarHBondContact O-N 3.06Å; I217-L219 PolarHBondContact O-N 2.87Å; I217-M220 PolarHBondContact O-N 2.73Å; I217-I221 HydrophobicContact CG2-CD1 3.85Å; I217-I221 WeakPolarHBondContact O-CG1 3.38Å; I217-I221 PolarHBondContact O-N 2.88Å
218V84.8Confident83.5Confident73 Ų7378.5 Ų78.544%0.44242%0.419SS..Hα-helixtrans-61.4-44.3178.7170.70000111.4I214 S215 F216 I221 I222I214-V218 HydrophobicContact CG2-CG2 4.48Å; I214-V218 WeakPolarHBondContact O-CG2 3.48Å; I214-V218 PolarHBondContact O-N 3.42Å; S215-V218 PolarHBondContact O-N 2.8Å; F216-V218 PolarHBondContact O-N 2.83Å; V218-I221 PolarHBondContact O-N 3.4Å; V218-I222 HydrophobicContact CG1-CD1 3.79Å; V218-I222 VanDerWaalsContact O-CG1 3.32Å; V218-I222 WeakPolarHBondContact O-CG1 3.37Å; V218-I222 PolarHBondContact O-N 2.87Å
219L83.1Confident84.4Confident55 Ų5584.2 Ų84.229%0.28844%0.443SS..Hα-helixtrans-65.6-40.2178.5-66.1159.4000112.1V24 S215 F216 I217 I222 S223V24-L219 HydrophobicContact CB-CD1 4.13Å; V24-L219 HydrophobicContact CG1-CD1 3.74Å; V24-L219 HydrophobicContact CG2-CD1 3.45Å; V24-L219 VanDerWaalsContact CG2-CD1 3.45Å; S215-L219 VanDerWaalsContact O-CD1 3.31Å; S215-L219 WeakPolarHBondContact O-CD1 3.38Å; S215-L219 VanDerWaalsContact O-CG 3.3Å; S215-L219 WeakPolarHBondContact O-CG 3.43Å; S215-L219 PolarHBondContact O-N 3.01Å; F216-L219 PolarHBondContact O-N 2.88Å; I217-L219 PolarHBondContact O-N 2.87Å; L219-I222 PolarHBondContact O-N 2.96Å; L219-S223 WeakPolarHBondContact O-CB 3.26Å; L219-S223 PolarHBondContact O-N 3.24Å; L219-S223 PolarHBondContact O-OG 3.21Å
220M81.3Confident85.2Confident89 Ų8986.2 Ų86.244%0.43844%0.443SS..Hα-helixtrans-57.8-49.3173.3-171.7-166.873.500110.7F216 I217 I222 S223 L224F216-M220 PolarHBondContact O-N 3.01Å; I217-M220 PolarHBondContact O-N 2.73Å; M220-I222 PolarHBondContact O-N 3.48Å; M220-S223 PolarHBondContact O-N 2.91Å; M220-S223 PolarHBondContact O-OG 2.89Å; M220-L224 HydrophobicContact CE-CD1 4.22Å; M220-L224 HydrophobicContact CG-CD1 4.02Å; M220-L224 WeakPolarHBondContact O-CG 3.32Å; M220-L224 PolarHBondContact O-N 2.94Å
221I90.1Very high85.7Confident96 Ų9688.9 Ų88.949%0.49245%0.445SS..Hα-helixtrans-60.7-45.2179.3-67.6165.1000111.5I217 V218 S223 L224 A225I217-I221 HydrophobicContact CG2-CD1 3.85Å; I217-I221 WeakPolarHBondContact O-CG1 3.38Å; I217-I221 PolarHBondContact O-N 2.88Å; V218-I221 PolarHBondContact O-N 3.4Å; I221-S223 VanDerWaalsContact C-N 3.34Å; I221-S223 PolarHBondContact O-N 3.1Å; I221-L224 PolarHBondContact O-N 3.23Å; I221-A225 WeakPolarHBondContact O-CB 3.32Å; I221-A225 PolarHBondContact O-N 2.65Å
222I87.6Confident86.4Confident92 Ų9288.2 Ų88.247%0.47245%0.445SS..Hα-helixtrans-60.2-43.7177.7-69.2165.7000111.2V218 L219 M220 A225 W226V218-I222 HydrophobicContact CG1-CD1 3.79Å; V218-I222 VanDerWaalsContact O-CG1 3.32Å; V218-I222 WeakPolarHBondContact O-CG1 3.37Å; V218-I222 PolarHBondContact O-N 2.87Å; L219-I222 PolarHBondContact O-N 2.96Å; M220-I222 PolarHBondContact O-N 3.48Å; I222-A225 PolarHBondContact O-N 2.91Å; I222-W226 PolarHBondContact O-N 2.9Å
223S85.5Confident86.6Confident29 Ų2991.5 Ų91.520%0.20346%0.458CS..Hα-helixtrans-67.6-39.9-179.673.80000112.9L219 M220 I221 W226 L227L219-S223 WeakPolarHBondContact O-CB 3.26Å; L219-S223 PolarHBondContact O-N 3.24Å; L219-S223 PolarHBondContact O-OG 3.21Å; M220-S223 PolarHBondContact O-N 2.91Å; M220-S223 PolarHBondContact O-OG 2.89Å; I221-S223 VanDerWaalsContact C-N 3.34Å; I221-S223 PolarHBondContact O-N 3.1Å; S223-W226 PolarHBondContact O-N 3.49Å; S223-L227 WeakPolarHBondContact O-CB 3.45Å; S223-L227 PolarHBondContact O-N 2.95Å
224L87.8Confident86.9Confident88 Ų8895.7 Ų95.746%0.46147%0.465SS..Hα-helixtrans-65-42.2174.6-71.4169.5000111.5M220 I221 W226 L227 V228M220-L224 HydrophobicContact CE-CD1 4.22Å; M220-L224 HydrophobicContact CG-CD1 4.02Å; M220-L224 WeakPolarHBondContact O-CG 3.32Å; M220-L224 PolarHBondContact O-N 2.94Å; I221-L224 PolarHBondContact O-N 3.23Å; L224-W226 PolarHBondContact O-N 3.47Å; L224-L227 PolarHBondContact O-N 3.39Å; L224-V228 WeakPolarHBondContact O-CB 3.23Å; L224-V228 WeakPolarHBondContact O-CG2 3.36Å; L224-V228 PolarHBondContact O-N 2.85Å
225A90.9Very high87.1Confident59 Ų5997.9 Ų97.949%0.48847%0.471SS..Hα-helixtrans-62.2-42.6175.800000112I221 I222 V228 F229I221-A225 WeakPolarHBondContact O-CB 3.32Å; I221-A225 PolarHBondContact O-N 2.65Å; I222-A225 PolarHBondContact O-N 2.91Å; A225-V228 PolarHBondContact O-N 3.24Å; A225-F229 WeakPolarHBondContact O-CB 3.37Å; A225-F229 PolarHBondContact O-N 3.33Å
226W90Very high87.3Confident183 Ų183105 Ų10569%0.69349%0.493SS*.Hα-helixtrans-62-44.4173.7-103.483.1000112.7I222 S223 L224 F229 Y230I222-W226 PolarHBondContact O-N 2.9Å; S223-W226 PolarHBondContact O-N 3.49Å; L224-W226 PolarHBondContact O-N 3.47Å; W226-F229 PolarHBondContact O-N 3.4Å; W226-Y230 WeakPolarHBondContact O-CB 3.37Å; W226-Y230 PolarHBondContact O-N 3.44Å
227L84.4Confident87.4Confident87 Ų87106.1 Ų106.146%0.45549%0.494SS..Hα-helixtrans-62.1-46.6177.6179146.3000111.2S223 L224 Y230 Y231S223-L227 WeakPolarHBondContact O-CB 3.45Å; S223-L227 PolarHBondContact O-N 2.95Å; L224-L227 PolarHBondContact O-N 3.39Å; L227-Y230 PolarHBondContact O-N 2.96Å; L227-Y231 HydrophobicContact CD1-CE2 4.35Å; L227-Y231 HydrophobicContact CD2-CD2 3.68Å; L227-Y231 HydrophobicContact CD2-CE2 3.76Å; L227-Y231 HydrophobicContact CG-CD2 3.92Å; L227-Y231 HydrophobicContact CG-CE2 3.81Å; L227-Y231 VanDerWaalsContact O-CD2 3.25Å; L227-Y231 WeakPolarHBondContact O-CD2 3.43Å; L227-Y231 PolarHBondContact O-N 3.42Å
228V91.9Very high87.3Confident79 Ų79104.4 Ų104.448%0.47949%0.493SS..Hα-helixtrans-61.6-45176.2168.70000111.1L224 A225 Y230 Y231 I232L224-V228 WeakPolarHBondContact O-CB 3.23Å; L224-V228 WeakPolarHBondContact O-CG2 3.36Å; L224-V228 PolarHBondContact O-N 2.85Å; A225-V228 PolarHBondContact O-N 3.24Å; V228-Y230 PolarHBondContact O-N 3.36Å; V228-Y231 PolarHBondContact O-N 3.36Å; V228-I232 HydrophobicContact CG1-CD1 3.71Å; V228-I232 HydrophobicContact CG1-CG1 4.45Å; V228-I232 WeakPolarHBondContact O-CB 3.08Å; V228-I232 VanDerWaalsContact O-CG1 3.29Å; V228-I232 WeakPolarHBondContact O-CG1 3.33Å; V228-I232 PolarHBondContact O-N 3.42Å
229F92.3Very high87.3Confident126 Ų126103.8 Ų103.855%0.55349%0.487SS*.Hα-helixtrans-60.4-45176.1-176.2-92.9000112A225 W226 I232 Q233A225-F229 WeakPolarHBondContact O-CB 3.37Å; A225-F229 PolarHBondContact O-N 3.33Å; W226-F229 PolarHBondContact O-N 3.4Å; F229-I232 PolarHBondContact O-N 3.4Å; F229-Q233 WeakPolarHBondContact O-CB 3.2Å; F229-Q233 PolarHBondContact O-N 3.49Å
230Y89.8Confident87.3Confident118 Ų118103.8 Ų103.846%0.46350%0.495SS..Hα-helixtrans-60-45.4176.2171.8-109000112.3W226 L227 V228 Q233 R234W226-Y230 WeakPolarHBondContact O-CB 3.37Å; W226-Y230 PolarHBondContact O-N 3.44Å; L227-Y230 PolarHBondContact O-N 2.96Å; V228-Y230 PolarHBondContact O-N 3.36Å; Y230-Q233 PolarHBondContact O-N 3.29Å; Y230-R234 VanDerWaalsContact O-CB 3.24Å; Y230-R234 WeakPolarHBondContact O-CB 3.33Å; Y230-R234 PolarHBondContact O-N 2.59Å
231Y90.4Very high87.4Confident138 Ų138105.7 Ų105.754%0.54150%0.497SS..Hα-helixtrans-64.1-42175.7-84.9-72.1000112.5L227 V228 R234 F235L227-Y231 HydrophobicContact CD1-CE2 4.35Å; L227-Y231 HydrophobicContact CD2-CD2 3.68Å; L227-Y231 HydrophobicContact CD2-CE2 3.76Å; L227-Y231 HydrophobicContact CG-CD2 3.92Å; L227-Y231 HydrophobicContact CG-CE2 3.81Å; L227-Y231 VanDerWaalsContact O-CD2 3.25Å; L227-Y231 WeakPolarHBondContact O-CD2 3.43Å; L227-Y231 PolarHBondContact O-N 3.42Å; V228-Y231 PolarHBondContact O-N 3.36Å; Y231-R234 PolarHBondContact O-N 2.6Å; Y231-F235 VanDerWaalsContact O-CB 3.29Å; Y231-F235 WeakPolarHBondContact O-CB 3.11Å; Y231-F235 PolarHBondContact O-N 3.45Å
232I91.1Very high87Confident89 Ų89103.9 Ų103.946%0.45649%0.488SS..Hα-helixtrans-61.9-45.6175-69.8167.7000110.7V228 F229 F235 R236V228-I232 HydrophobicContact CG1-CD1 3.71Å; V228-I232 HydrophobicContact CG1-CG1 4.45Å; V228-I232 WeakPolarHBondContact O-CB 3.08Å; V228-I232 VanDerWaalsContact O-CG1 3.29Å; V228-I232 WeakPolarHBondContact O-CG1 3.33Å; V228-I232 PolarHBondContact O-N 3.42Å; F229-I232 PolarHBondContact O-N 3.4Å; I232-F235 PolarHBondContact O-N 2.89Å; I232-R236 HydrophobicContact CG2-CG 4.47Å; I232-R236 WeakPolarHBondContact O-CB 3.45Å; I232-R236 VanDerWaalsContact O-CG 3.27Å; I232-R236 WeakPolarHBondContact O-CG 3.3Å; I232-R236 PolarHBondContact O-N 2.8Å
233Q83.6Confident86.9Confident112 Ų112108.1 Ų108.152%0.52350%0.499SS..Hα-helixtrans-64.3-45.3179-170.8177.59.600111.3F229 Y230 R236 Y237F229-Q233 WeakPolarHBondContact O-CB 3.2Å; F229-Q233 PolarHBondContact O-N 3.49Å; Y230-Q233 PolarHBondContact O-N 3.29Å; Q233-R236 PolarHBondContact O-N 3.26Å; Q233-Y237 VanDerWaalsContact O-CB 3.31Å; Q233-Y237 WeakPolarHBondContact O-CB 3.41Å; Q233-Y237 PolarHBondContact O-N 3.22Å
234R87.6Confident86.6Confident144 Ų144109.8 Ų109.854%0.54351%0.505SS..Hα-helixtrans-61.7-44176.8-174.1177-179.5-173.41.6112Y230 Y231 Y237 A238Y230-R234 VanDerWaalsContact O-CB 3.24Å; Y230-R234 WeakPolarHBondContact O-CB 3.33Å; Y230-R234 PolarHBondContact O-N 2.59Å; Y231-R234 PolarHBondContact O-N 2.6Å; R234-Y237 PolarHBondContact O-N 3.11Å; R234-A238 WeakPolarHBondContact O-CB 3.48Å; R234-A238 PolarHBondContact O-N 2.56Å
235F88.8Confident86.3Confident140 Ų140111.7 Ų111.761%0.61451%0.512SS*.Hα-helixtrans-65.7-44.2176.9-176.3-116.4000111.8Y231 I232 Y237 A238 N239Y231-F235 VanDerWaalsContact O-CB 3.29Å; Y231-F235 WeakPolarHBondContact O-CB 3.11Å; Y231-F235 PolarHBondContact O-N 3.45Å; I232-F235 PolarHBondContact O-N 2.89Å; F235-Y237 VanDerWaalsContact C-N 3.34Å; F235-Y237 PolarHBondContact O-N 2.97Å; F235-A238 PolarHBondContact O-N 2.97Å; F235-N239 WeakPolarHBondContact CD1-ND2 3.31Å; F235-N239 WeakPolarHBondContact CE1-ND2 3.25Å; F235-N239 WeakPolarHBondContact CE2-ND2 3.49Å; F235-N239 WeakPolarHBondContact CZ-ND2 3.36Å; F235-N239 WeakPolarHBondContact O-CB 3.38Å; F235-N239 PolarHBondContact O-N 3.43Å; F235-N239 PolarHBondContact O-ND2 3.01Å
236R86.3Confident86Confident186 Ų186116.3 Ų116.370%0.70252%0.517SS*.Hα-helixtrans-61.9-40174.7-73.7177.568.7168.11112.1I232 Q233 A240I232-R236 HydrophobicContact CG2-CG 4.47Å; I232-R236 WeakPolarHBondContact O-CB 3.45Å; I232-R236 VanDerWaalsContact O-CG 3.27Å; I232-R236 WeakPolarHBondContact O-CG 3.3Å; I232-R236 PolarHBondContact O-N 2.8Å; Q233-R236 PolarHBondContact O-N 3.26Å; R236-A240 WeakPolarHBondContact O-CB 3.47Å; R236-A240 PolarHBondContact O-N 2.81Å
237Y83.6Confident85.6Confident159 Ų159116.8 Ų116.862%0.62452%0.518SS*.Hα-helixtrans-67.1-46.8177.2-177.9-103.1000112.4Q233 R234 F235 N239 A240 R241Q233-Y237 VanDerWaalsContact O-CB 3.31Å; Q233-Y237 WeakPolarHBondContact O-CB 3.41Å; Q233-Y237 PolarHBondContact O-N 3.22Å; R234-Y237 PolarHBondContact O-N 3.11Å; F235-Y237 VanDerWaalsContact C-N 3.34Å; F235-Y237 PolarHBondContact O-N 2.97Å; Y237-N239 PolarHBondContact O-N 2.65Å; Y237-A240 WeakPolarHBondContact O-CB 3.34Å; Y237-A240 PolarHBondContact O-N 3Å; Y237-A240 VanDerWaalsContact O-N 3.15Å; Y237-R241 PolarHBondContact O-N 3.18Å
238A82.9Confident85.4Confident51 Ų51114.7 Ų114.742%0.42151%0.507SS..Hα-helixtrans-59.2-47.2176.100000111.9R234 F235 A240 R241 D242R234-A238 WeakPolarHBondContact O-CB 3.48Å; R234-A238 PolarHBondContact O-N 2.56Å; F235-A238 PolarHBondContact O-N 2.97Å; A238-A240 VanDerWaalsContact C-N 3.26Å; A238-A240 PolarHBondContact O-N 2.79Å; A238-R241 PolarHBondContact O-N 2.82Å; A238-D242 PolarHBondContact O-N 2.8Å
239N83.9Confident85Confident59 Ų59111.9 Ų111.932%0.31649%0.494SS..Hα-helixtrans-65.7-27.7177-67.8-22.3000112.9F235 Y237 R243F235-N239 WeakPolarHBondContact CD1-ND2 3.31Å; F235-N239 WeakPolarHBondContact CE1-ND2 3.25Å; F235-N239 WeakPolarHBondContact CE2-ND2 3.49Å; F235-N239 WeakPolarHBondContact CZ-ND2 3.36Å; F235-N239 WeakPolarHBondContact O-CB 3.38Å; F235-N239 PolarHBondContact O-N 3.43Å; F235-N239 PolarHBondContact O-ND2 3.01Å; Y237-N239 PolarHBondContact O-N 2.65Å; N239-R243 WeakPolarHBondContact O-CB 3.26Å; N239-R243 WeakPolarHBondContact O-CD 3.17Å; N239-R243 WeakPolarHBondContact O-CG 3.44Å; N239-R243 PolarHBondContact O-N 3.13Å
240A83.9Confident84.7Confident55 Ų55109.9 Ų109.946%0.45549%0.489SS..Hα-helixtrans-72.3-43.7172.200000111.9R236 Y237 A238 R243 N244R236-A240 WeakPolarHBondContact O-CB 3.47Å; R236-A240 PolarHBondContact O-N 2.81Å; Y237-A240 WeakPolarHBondContact O-CB 3.34Å; Y237-A240 PolarHBondContact O-N 3Å; Y237-A240 VanDerWaalsContact O-N 3.15Å; A238-A240 VanDerWaalsContact C-N 3.26Å; A238-A240 PolarHBondContact O-N 2.79Å; A240-R243 PolarHBondContact O-N 3.49Å; A240-N244 WeakPolarHBondContact O-CB 3.49Å; A240-N244 PolarHBondContact O-N 2.82Å
241R82.7Confident84.4Confident130 Ų130106.4 Ų106.449%0.49149%0.485SS..Hα-helixtrans-61.9-46.2176.2-173.4166.9173.6134-11.6111.2Y237 A238 N244 Q245 D337Y237-R241 PolarHBondContact O-N 3.18Å; A238-R241 PolarHBondContact O-N 2.82Å; R241-N244 PolarHBondContact O-N 2.97Å; R241-Q245 WeakPolarHBondContact O-CB 3.01Å; R241-Q245 PolarHBondContact O-N 3.41Å; R241-D337 IonicContact CZ-OD2 2.8Å; R241-D337 IonicContact NH1-OD2 3.31Å; R241-D337 IonicContact NH2-OD2 3.58Å; R241-D337 PolarHBondContact NH2-OD2 3.35Å
242D83Confident84.1Confident57 Ų5799.8 Ų99.831%0.30546%0.459SS..Hα-helixtrans-57.9-50.517517247.7000112.3A238 N244 Q245 R246A238-D242 PolarHBondContact O-N 2.8Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 2.85Å; D242-Q245 PolarHBondContact O-N 2.81Å; D242-R246 VanDerWaalsContact CG-NE 3.3Å; D242-R246 WeakPolarHBondContact O-CG 3.02Å; D242-R246 PolarHBondContact O-N 3.39Å; D242-R246 IonicContact OD1-CZ 2.74Å; D242-R246 IonicContact OD1-NE 2.61Å; D242-R246 PolarHBondContact OD1-NE 2.85Å; D242-R246 IonicContact OD1-NH2 2.86Å; D242-R246 PolarHBondContact OD1-NH2 3.42Å; D242-R246 IonicContact OD2-CZ 2.76Å; D242-R246 VanDerWaalsContact OD2-CZ 3.27Å; D242-R246 IonicContact OD2-NE 2.74Å; D242-R246 PolarHBondContact OD2-NE 3.3Å; D242-R246 VanDerWaalsContact OD2-NE 3.11Å; D242-R246 IonicContact OD2-NH2 2.58Å; D242-R246 PolarHBondContact OD2-NH2 2.94Å
243R85Confident83.9Confident182 Ų182101.1 Ų101.169%0.68746%0.461SS*.Hα-helixtrans-58.1-37.5176.4-75.7173.7179.4-161.80.1112.8N239 A240 R247N239-R243 WeakPolarHBondContact O-CB 3.26Å; N239-R243 WeakPolarHBondContact O-CD 3.17Å; N239-R243 WeakPolarHBondContact O-CG 3.44Å; N239-R243 PolarHBondContact O-N 3.13Å; A240-R243 PolarHBondContact O-N 3.49Å; R243-R247 VanDerWaalsContact O-CG 3.28Å; R243-R247 WeakPolarHBondContact O-CG 3.5Å; R243-R247 PolarHBondContact O-N 3.34Å
244N79.3Confident84.1Confident63 Ų63102.9 Ų102.934%0.33747%0.467SS..Hα-helixtrans-72.5-41.9177.3-162.238000111.9A240 R241 D242 R246 R247 L248A240-N244 WeakPolarHBondContact O-CB 3.49Å; A240-N244 PolarHBondContact O-N 2.82Å; R241-N244 PolarHBondContact O-N 2.97Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 2.85Å; N244-R246 PolarHBondContact O-N 3.4Å; N244-R247 PolarHBondContact O-N 3.02Å; N244-L248 WeakPolarHBondContact O-CB 3.48Å; N244-L248 PolarHBondContact O-N 3.02Å
245Q82.1Confident83.9Confident128 Ų12896.1 Ų96.160%0.59844%0.442SS*.Hα-helixtrans-62.5-42.7178-175.5170-1200111.9R241 D242 L248 G249R241-Q245 WeakPolarHBondContact O-CB 3.01Å; R241-Q245 PolarHBondContact O-N 3.41Å; D242-Q245 PolarHBondContact O-N 2.81Å; Q245-L248 PolarHBondContact O-N 2.9Å; Q245-G249 PolarHBondContact O-N 3.44Å
246R83.8Confident83.8Confident157 Ų15789.7 Ų89.759%0.59241%0.414SS*.Hα-helixtrans-60.4-49.4172.9-66.2-178.6-160-149.210.5111.8D242 N244 L248 G249 D250D242-R246 VanDerWaalsContact CG-NE 3.3Å; D242-R246 WeakPolarHBondContact O-CG 3.02Å; D242-R246 PolarHBondContact O-N 3.39Å; D242-R246 IonicContact OD1-CZ 2.74Å; D242-R246 IonicContact OD1-NE 2.61Å; D242-R246 PolarHBondContact OD1-NE 2.85Å; D242-R246 IonicContact OD1-NH2 2.86Å; D242-R246 PolarHBondContact OD1-NH2 3.42Å; D242-R246 IonicContact OD2-CZ 2.76Å; D242-R246 VanDerWaalsContact OD2-CZ 3.27Å; D242-R246 IonicContact OD2-NE 2.74Å; D242-R246 PolarHBondContact OD2-NE 3.3Å; D242-R246 VanDerWaalsContact OD2-NE 3.11Å; D242-R246 IonicContact OD2-NH2 2.58Å; D242-R246 PolarHBondContact OD2-NH2 2.94Å; N244-R246 PolarHBondContact O-N 3.4Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-L248 PolarHBondContact O-N 2.76Å; R246-G249 PolarHBondContact O-N 2.86Å; R246-D250 PolarHBondContact O-N 2.93Å
247R82.4Confident83.8Confident193 Ų19385 Ų8573%0.72841%0.409SS*.Hα-helixtrans-56.7-43.8177.2-77.2173.8172.2-158.6-3.5112.5R243 N244 D250 A251R243-R247 VanDerWaalsContact O-CG 3.28Å; R243-R247 WeakPolarHBondContact O-CG 3.5Å; R243-R247 PolarHBondContact O-N 3.34Å; N244-R247 PolarHBondContact O-N 3.02Å; R247-D250 PolarHBondContact O-N 2.65Å; R247-A251 WeakPolarHBondContact O-CB 3.09Å; R247-A251 PolarHBondContact O-N 3.07Å
248L79.8Confident83.8Confident42 Ų4285.2 Ų85.222%0.2241%0.414CS..Hα-helixtrans-69.2-38.7178.5-17558.9000112N244 Q245 R246 A251 A252 C334N244-L248 WeakPolarHBondContact O-CB 3.48Å; N244-L248 PolarHBondContact O-N 3.02Å; Q245-L248 PolarHBondContact O-N 2.9Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-L248 PolarHBondContact O-N 2.76Å; L248-A251 PolarHBondContact O-N 3.48Å; L248-A252 WeakPolarHBondContact O-CB 3.34Å; L248-A252 PolarHBondContact O-N 3.37Å; L248-C334 HydrophobicContact CD2-CB 4.43Å
249G83.8Confident84Confident20 Ų2083.3 Ų83.321%0.20640%0.396CS..Hα-helixtrans-62-42.2173.600000112.8Q245 R246 A252 K253Q245-G249 PolarHBondContact O-N 3.44Å; R246-G249 PolarHBondContact O-N 2.86Å; G249-A252 PolarHBondContact O-N 3.26Å; G249-K253 WeakPolarHBondContact O-CG 3.5Å; G249-K253 PolarHBondContact O-N 2.77Å
250D85.4Confident84.2Confident85 Ų8586.5 Ų86.546%0.45541%0.409SS..Hα-helixtrans-71.8-34177.4-66.8-28000112.6R246 R247 K253 K254R246-D250 PolarHBondContact O-N 2.93Å; R247-D250 PolarHBondContact O-N 2.65Å; D250-K253 WeakPolarHBondContact OD1-CE 3.45Å; D250-K253 IonicContact OD1-NZ 3.57Å; D250-K253 PolarHBondContact OD1-NZ 3Å; D250-K254 WeakPolarHBondContact O-CB 3.25Å; D250-K254 PolarHBondContact O-N 2.9Å; D250-K254 VanDerWaalsContact O-N 3.08Å
251A83.1Confident84.5Confident44 Ų4487 Ų8736%0.36441%0.407SS..Hα-helixtrans-62.6-42.4168.600000111.8R247 L248 K254 A255R247-A251 WeakPolarHBondContact O-CB 3.09Å; R247-A251 PolarHBondContact O-N 3.07Å; L248-A251 PolarHBondContact O-N 3.48Å; A251-K254 PolarHBondContact O-N 2.87Å; A251-A255 PolarHBondContact O-N 2.82Å
252A84Confident84.7Confident0 Ų084.4 Ų84.40%040%0.397CS..Hα-helixtrans-64-46.6176.100000112.1L248 G249 K254 A255 I256 L323L248-A252 WeakPolarHBondContact O-CB 3.34Å; L248-A252 PolarHBondContact O-N 3.37Å; G249-A252 PolarHBondContact O-N 3.26Å; A252-K254 VanDerWaalsContact C-N 3.28Å; A252-K254 PolarHBondContact O-N 3.19Å; A252-A255 WeakPolarHBondContact O-CB 3.4Å; A252-A255 PolarHBondContact O-N 2.03Å; A252-I256 WeakPolarHBondContact O-CD1 3.37Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.42Å; A252-I256 PolarHBondContact O-N 2.82Å; A252-L323 HydrophobicContact CB-CD1 4.48Å
253K87.6Confident85Confident116 Ų11685 Ų8550%0.50440%0.403SS..Hα-helixtrans-51.6-47.1172.2-70.2168.1-161.4164.20111.6G249 D250 A255 I256 S257 L310G249-K253 WeakPolarHBondContact O-CG 3.5Å; G249-K253 PolarHBondContact O-N 2.77Å; D250-K253 WeakPolarHBondContact OD1-CE 3.45Å; D250-K253 IonicContact OD1-NZ 3.57Å; D250-K253 PolarHBondContact OD1-NZ 3Å; K253-A255 VanDerWaalsContact C-N 3.3Å; K253-A255 PolarHBondContact O-N 2.77Å; K253-I256 PolarHBondContact O-N 3.02Å; K253-S257 PolarHBondContact O-N 3.1Å; K253-S257 PolarHBondContact O-OG 3.07Å; K253-L310 HydrophobicContact CB-CD2 4.19Å; K253-L310 HydrophobicContact CG-CD2 3.34Å
254K86.7Confident85Confident149 Ų14976.4 Ų76.465%0.64837%0.37SS*.Hα-helixtrans-72.3-18.4-179.3-169.8172.5-178.5176.90114D250 A251 A252 S257D250-K254 WeakPolarHBondContact O-CB 3.25Å; D250-K254 PolarHBondContact O-N 2.9Å; D250-K254 VanDerWaalsContact O-N 3.08Å; A251-K254 PolarHBondContact O-N 2.87Å; A252-K254 VanDerWaalsContact C-N 3.28Å; A252-K254 PolarHBondContact O-N 3.19Å; K254-S257 PolarHBondContact O-OG 2.86Å
255A84.1Confident85.1Confident2 Ų280.5 Ų80.52%0.01739%0.385CS..Hα-helixtrans-83.7-46.3171.100000111.3A251 A252 K253 S257 K258 L323 L326 I328A251-A255 PolarHBondContact O-N 2.82Å; A252-A255 WeakPolarHBondContact O-CB 3.4Å; A252-A255 PolarHBondContact O-N 2.03Å; K253-A255 VanDerWaalsContact C-N 3.3Å; K253-A255 PolarHBondContact O-N 2.77Å; A255-S257 VanDerWaalsContact C-N 3.32Å; A255-S257 PolarHBondContact O-N 2.84Å; A255-K258 WeakPolarHBondContact O-CB 3.26Å; A255-K258 PolarHBondContact O-N 2.88Å; A255-K258 VanDerWaalsContact O-N 3.08Å; A255-L323 HydrophobicContact CB-CD2 3.44Å; A255-L323 VanDerWaalsContact CB-CD2 3.44Å; A255-L326 HydrophobicContact CB-CD1 4Å; A255-I328 HydrophobicContact CB-CD1 3.57Å
256I87Confident84.6Confident6 Ų683.4 Ų83.43%0.03140%0.396CS..Hα-helixtrans-63.3-38179.7-64.7158.6000111A252 K253 K258 L259 R292 D306 L309 L310 I322A252-I256 WeakPolarHBondContact O-CD1 3.37Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.42Å; A252-I256 PolarHBondContact O-N 2.82Å; K253-I256 PolarHBondContact O-N 3.02Å; I256-K258 PolarHBondContact O-N 3.26Å; I256-K258 VanDerWaalsContact O-N 3.16Å; I256-L259 WeakPolarHBondContact O-CB 3.45Å; I256-L259 PolarHBondContact O-N 3.46Å; I256-L259 VanDerWaalsContact O-N 3.09Å; I256-R292 VanDerWaalsContact O-CZ 3.31Å; I256-R292 PolarHBondContact O-NH1 3.14Å; I256-D306 WeakPolarHBondContact CG2-OD1 3.36Å; I256-L309 VanDerWaalsContact CD1-C 3.47Å; I256-L309 HydrophobicContact CD1-CB 3.66Å; I256-L309 HydrophobicContact CG1-CB 3.92Å; I256-L310 HydrophobicContact CD1-CB 4.44Å; I256-L310 HydrophobicContact CD1-CD2 3.71Å; I256-L310 HydrophobicContact CD1-CG 3.85Å; I256-I322 HydrophobicContact CG1-CD1 3.68Å
257S85.3Confident83.7Confident86 Ų8679.4 Ų79.460%0.60140%0.404SS*.THydrogen-bonded Turntrans-63.8-17.9175.9650000114.3K253 K254 A255K253-S257 PolarHBondContact O-N 3.1Å; K253-S257 PolarHBondContact O-OG 3.07Å; K254-S257 PolarHBondContact O-OG 2.86Å; A255-S257 VanDerWaalsContact C-N 3.32Å; A255-S257 PolarHBondContact O-N 2.84Å
258K84.9Confident83.3Confident164 Ų16471.8 Ų71.871%0.71338%0.377SS*.THydrogen-bonded Turntrans-90.5-11.6174.5-66.1-179.5173.7-169.90114.3A255 I256A255-K258 WeakPolarHBondContact O-CB 3.26Å; A255-K258 PolarHBondContact O-N 2.88Å; A255-K258 VanDerWaalsContact O-N 3.08Å; I256-K258 PolarHBondContact O-N 3.26Å; I256-K258 VanDerWaalsContact O-N 3.16Å
259L86.2Confident82.6Confident11 Ų1176.7 Ų76.76%0.05840%0.397CS..SBendtrans-67.3142.7178.5-71.3176.7000110.8I256 V261 R292 P295 L309 I322 L326I256-L259 WeakPolarHBondContact O-CB 3.45Å; I256-L259 PolarHBondContact O-N 3.46Å; I256-L259 VanDerWaalsContact O-N 3.09Å; L259-V261 PolarHBondContact O-N 3.1Å; L259-R292 HydrophobicContact CB-CG 4.05Å; L259-R292 PolarHBondContact O-NH1 2.87Å; L259-P295 HydrophobicContact CD2-CG 3.77Å; L259-L309 HydrophobicContact CD1-CD1 4.04Å; L259-I322 HydrophobicContact CD1-CD1 3.93Å; L259-L326 HydrophobicContact CD2-CD1 3.94Å; L259-L326 HydrophobicContact CD2-CD2 4.14Å; L259-L326 HydrophobicContact CD2-CG 4.35Å; L259-L326 HydrophobicContact CG-CD1 4.38Å
260Q87.8Confident81.6Confident126 Ų12677 Ų7759%0.58939%0.393SS*.  trans-57.4129.6-176.7-177.21778.900111.3R292 I293Q260-R292 WeakPolarHBondContact O-CA 3.35Å; Q260-R292 WeakPolarHBondContact O-CG 3.39Å; Q260-I293 HydrophobicContact CB-CB 4.31Å; Q260-I293 HydrophobicContact CG-CD1 4.36Å; Q260-I293 PolarHBondContact O-N 2.92Å
261V90.6Very high80.4Confident66 Ų6675.1 Ų75.140%0.439%0.385SS..EExtended strand (participates in β ladder)trans-116.1140173.71780000108.3L259 V290 V291 R292L259-V261 PolarHBondContact O-N 3.1Å; V261-V290 HydrophobicContact CG1-CG1 3.44Å; V261-V290 VanDerWaalsContact CG1-CG1 3.44Å; V261-V291 WeakPolarHBondContact CA-O 3.36Å; V261-R292 VanDerWaalsContact CG2-NH1 3.29Å
262R87.7Confident79.4Confident75 Ų7578.9 Ų78.928%0.28340%0.395SS..EExtended strand (participates in β ladder)trans-132.2143.6175.8175.3-178.2176.3-170.8-0.1109D268 E270 V291R262-D268 IonicContact CZ-OD2 3.32Å; R262-D268 IonicContact NE-OD2 2.64Å; R262-D268 IonicContact NH2-OD1 3.11Å; R262-D268 PolarHBondContact NH2-OD1 2.99Å; R262-D268 VanDerWaalsContact NH2-OD1 3.11Å; R262-D268 IonicContact NH2-OD2 3.38Å; R262-D268 PolarHBondContact NH2-OD2 2.96Å; R262-E270 IonicContact CZ-OE1 2.77Å; R262-E270 VanDerWaalsContact CZ-OE1 3.32Å; R262-E270 IonicContact CZ-OE2 3.16Å; R262-E270 IonicContact NH1-OE1 3.27Å; R262-E270 PolarHBondContact NH1-OE1 2.75Å; R262-E270 IonicContact NH1-OE2 3.64Å; R262-E270 PolarHBondContact NH1-OE2 2.88Å; R262-E270 IonicContact NH2-OE1 2.73Å; R262-E270 PolarHBondContact NH2-OE1 3.24Å; R262-V291 HydrophobicContact CB-CG2 4.11Å; R262-V291 PolarHBondContact N-O 2.83Å; R262-V291 WeakPolarHBondContact O-CG2 3.25Å; R262-V291 PolarHBondContact O-N 2.87Å
263T87.9Confident78.3Confident71 Ų7184.5 Ų84.544%0.43643%0.434SS..EExtended strand (participates in β ladder)trans-96.6126.1164.2-56.10000108.3N288 D289T263-N288 HydrophobicContact CG2-CB 4.48Å; T263-D289 CarbonylContact C-O 3.59Å; T263-D289 WeakPolarHBondContact CA-O 3.46Å
264I84.9Confident77.1Confident0 Ų086 Ų860%045%0.447CS..PPolyproline II helixtrans-71.8129.2179.2-65.4179.3000109.1D268 E270 T271 Y285 N288 D289 V291I264-D268 HydrophobicContact CG2-CB 4.13Å; I264-E270 HydrophobicContact CD1-CB 4.14Å; I264-T271 HydrophobicContact CG2-CG2 3.87Å; I264-Y285 HydrophobicContact CD1-CD1 3.8Å; I264-Y285 HydrophobicContact CD1-CD2 4.34Å; I264-Y285 HydrophobicContact CD1-CG 3.64Å; I264-N288 WeakPolarHBondContact O-CA 3.37Å; I264-N288 PolarHBondContact O-N 3.4Å; I264-D289 HydrophobicContact CD1-CB 4.38Å; I264-D289 PolarHBondContact N-O 3.45Å; I264-V291 HydrophobicContact CD1-CB 4.48Å; I264-V291 HydrophobicContact CD1-CG1 3.6Å; I264-V291 HydrophobicContact CD1-CG2 4.04Å; I264-V291 HydrophobicContact CG1-CG1 4.22Å; I264-V291 HydrophobicContact CG1-CG2 3.9Å
265K81.5Confident76.1Confident149 Ų14982.9 Ų82.965%0.64843%0.434SS*.PPolyproline II helixtrans-94.6151.9177.8-65-178.1179.4179.80110.6G267 D268K265-G267 PolarHBondContact O-N 2.91Å; K265-G267 VanDerWaalsContact O-N 3.1Å; K265-D268 PolarHBondContact N-OD2 2.93Å; K265-D268 WeakPolarHBondContact O-CB 3.46Å; K265-D268 PolarHBondContact O-N 2.84Å
266K72.5Confident75.6Confident189 Ų18989 Ų8982%0.82247%0.467SS*.THydrogen-bonded Turntrans-63112.3173.4-173.3176.7179.7178.20109.3P287K266-P287 HydrophobicContact CB-CB 3.98Å; K266-P287 HydrophobicContact CB-CG 4.14Å; K266-P287 HydrophobicContact CG-CG 4.24Å
267G64.6Low75.6Confident73 Ų7392.9 Ų92.975%0.75349%0.488SS*.THydrogen-bonded Turntrans978.5-173.100000114.8K265K265-G267 PolarHBondContact O-N 2.91Å; K265-G267 VanDerWaalsContact O-N 3.1Å
268D73.2Confident75.8Confident34 Ų3488.8 Ų88.818%0.18246%0.459CS..  trans-68.3144.9157.6-80.5-25000109.3R262 I264 K265 E270 T271R262-D268 IonicContact CZ-OD2 3.32Å; R262-D268 IonicContact NE-OD2 2.64Å; R262-D268 IonicContact NH2-OD1 3.11Å; R262-D268 PolarHBondContact NH2-OD1 2.99Å; R262-D268 VanDerWaalsContact NH2-OD1 3.11Å; R262-D268 IonicContact NH2-OD2 3.38Å; R262-D268 PolarHBondContact NH2-OD2 2.96Å; I264-D268 HydrophobicContact CG2-CB 4.13Å; K265-D268 PolarHBondContact N-OD2 2.93Å; K265-D268 WeakPolarHBondContact O-CB 3.46Å; K265-D268 PolarHBondContact O-N 2.84Å; D268-E270 PolarHBondContact O-N 3Å; D268-E270 VanDerWaalsContact O-N 3.12Å; D268-T271 PolarHBondContact O-N 2.91Å; D268-T271 PolarHBondContact O-OG1 2.76Å
269K65.7Low76Confident144 Ų14483.4 Ų83.463%0.62645%0.445SS*.G310 helixtrans-54.9-34.6-178.8-57.7-168.4173.4-164.90113.3T271 E272 F275K269-T271 PolarHBondContact O-N 2.79Å; K269-E272 WeakPolarHBondContact O-CB 3.39Å; K269-E272 PolarHBondContact O-N 2.98Å; K269-F275 HydrophobicContact CB-CD2 4.45Å; K269-F275 HydrophobicContact CB-CE1 4.03Å; K269-F275 HydrophobicContact CB-CE2 3.66Å; K269-F275 HydrophobicContact CB-CZ 3.43Å; K269-F275 VanDerWaalsContact CB-CZ 3.43Å; K269-F275 HydrophobicContact CD-CZ 4.09Å; K269-F275 HydrophobicContact CG-CZ 4.42Å; K269-F275 WeakPolarHBondContact O-CD2 3.41Å; K269-F275 WeakPolarHBondContact O-CE2 3.31Å; K269-F275 WeakPolarHBondContact O-CG 3.39Å
270E63.4Low76.1Confident27 Ų2785.7 Ų85.713%0.12646%0.459CS..G310 helixtrans-57.1-7.8173.4-71.2134.1-10600114.7R262 I264 D268 F275 Y285 L299R262-E270 IonicContact CZ-OE1 2.77Å; R262-E270 VanDerWaalsContact CZ-OE1 3.32Å; R262-E270 IonicContact CZ-OE2 3.16Å; R262-E270 IonicContact NH1-OE1 3.27Å; R262-E270 PolarHBondContact NH1-OE1 2.75Å; R262-E270 IonicContact NH1-OE2 3.64Å; R262-E270 PolarHBondContact NH1-OE2 2.88Å; R262-E270 IonicContact NH2-OE1 2.73Å; R262-E270 PolarHBondContact NH2-OE1 3.24Å; I264-E270 HydrophobicContact CD1-CB 4.14Å; D268-E270 PolarHBondContact O-N 3Å; D268-E270 VanDerWaalsContact O-N 3.12Å; E270-F275 HydrophobicContact CG-CD1 4.25Å; E270-Y285 HydrophobicContact CB-CD2 4.47Å; E270-L299 WeakPolarHBondContact OE2-CD2 3.22Å
271T60.5Low76.2Confident46 Ų4681.8 Ų81.828%0.28245%0.445SS..G310 helixtrans-103.17.6171.8380000114.9I264 D268 K269 P287I264-T271 HydrophobicContact CG2-CG2 3.87Å; D268-T271 PolarHBondContact O-N 2.91Å; D268-T271 PolarHBondContact O-OG1 2.76Å; K269-T271 PolarHBondContact O-N 2.79Å; T271-P287 HydrophobicContact CG2-CG 4.11Å
272E61.9Low76.2Confident122 Ų12285.2 Ų85.257%0.5746%0.46SS*.SBendtrans-84.4151.8170.5-62.5175.3156.800110.5K269 D274 F275K269-E272 WeakPolarHBondContact O-CB 3.39Å; K269-E272 PolarHBondContact O-N 2.98Å; E272-D274 PolarHBondContact O-N 2.96Å; E272-F275 HydrophobicContact CB-CD2 4.23Å; E272-F275 PolarHBondContact O-N 3.15Å
273S60.2Low76.2Confident118 Ų11886.4 Ų86.483%0.82547%0.469SS*.THydrogen-bonded Turntrans-62.6-16.7-174.1470000115.2
274D61.8Low76.2Confident147 Ų14784.3 Ų84.379%0.78646%0.462SS*.THydrogen-bonded Turntrans-103.19.1-167-57.611.2000111.4E272E272-D274 PolarHBondContact O-N 2.96Å
275F66.9Low76.2Confident85 Ų8585.5 Ų85.537%0.37347%0.466SS..SBendtrans-95.4154.6178.7-93.3-102.1000113.4K269 E270 E272 N277K269-F275 HydrophobicContact CB-CD2 4.45Å; K269-F275 HydrophobicContact CB-CE1 4.03Å; K269-F275 HydrophobicContact CB-CE2 3.66Å; K269-F275 HydrophobicContact CB-CZ 3.43Å; K269-F275 VanDerWaalsContact CB-CZ 3.43Å; K269-F275 HydrophobicContact CD-CZ 4.09Å; K269-F275 HydrophobicContact CG-CZ 4.42Å; K269-F275 WeakPolarHBondContact O-CD2 3.41Å; K269-F275 WeakPolarHBondContact O-CE2 3.31Å; K269-F275 WeakPolarHBondContact O-CG 3.39Å; E270-F275 HydrophobicContact CG-CD1 4.25Å; E272-F275 HydrophobicContact CB-CD2 4.23Å; E272-F275 PolarHBondContact O-N 3.15Å; F275-N277 PolarHBondContact O-N 2.82Å
276D73.5Confident76.4Confident130 Ų13083.3 Ų83.370%0.69546%0.457SS*.PPolyproline II helixtrans-56.8126.2179.1-67.2-43.7000112.1Y285D276-Y285 WeakPolarHBondContact O-CE2 3.43Å
277N86.9Confident76.9Confident88 Ų8876.9 Ų76.947%0.47143%0.434SS..PPolyproline II helixtrans-69.8159.5170-63.9-56.8000111.2F275 A279 G284F275-N277 PolarHBondContact O-N 2.82Å; N277-A279 PolarHBondContact O-N 3.05Å; N277-G284 WeakPolarHBondContact OD1-CA 3.46Å; N277-G284 PolarHBondContact OD1-N 3.38Å
278C89.5Confident77.9Confident0 Ų079.5 Ų79.50%043%0.431CS..  trans-68.7102.5175.2178.30000110.9V280 C281 I282 E283 Y285 H301C278-V280 PolarHBondContact O-N 3.24Å; C278-C281 PolarHBondContact O-N 2.88Å; C278-C281 VanDerWaalsContact O-N 3.12Å; C278-C281 VanDerWaalsContact SG-SG 3.65Å; C278-I282 WeakPolarHBondContact O-CA 3.44Å; C278-I282 PolarHBondContact O-N 2.86Å; C278-E283 PolarHBondContact N-O 2.71Å; C278-Y285 WeakPolarHBondContact CA-OH 3.09Å; C278-Y285 HydrophobicContact CB-CE1 3.76Å; C278-H301 WeakPolarHBondContact CB-ND1 3.43Å; C278-H301 PolarHBondContact SG-N 2.89Å; C278-H301 PolarHBondContact SG-ND1 2.97Å
279A87.8Confident78.6Confident51 Ų5179.6 Ų79.642%0.42143%0.431SS..THydrogen-bonded Turntrans-66.718-173.400000116.5N277 F300 M317N277-A279 PolarHBondContact O-N 3.05Å; A279-F300 HydrophobicContact CB-CE1 4.27Å; A279-M317 HydrophobicContact CB-CG 3.97Å; A279-M317 HydrophobicContact CB-SD 3.65Å
280V89.3Confident79.8Confident58 Ų5875.7 Ų75.735%0.35242%0.42SS..THydrogen-bonded Turntrans-112.5-34.6170.21790000112C278 F300 C304 P316C278-V280 PolarHBondContact O-N 3.24Å; V280-F300 HydrophobicContact CG2-CD1 3.77Å; V280-F300 HydrophobicContact CG2-CE1 4.1Å; V280-C304 HydrophobicContact CB-CB 3.96Å; V280-C304 HydrophobicContact CG1-CB 3.79Å; V280-P316 HydrophobicContact CG2-CB 4.27Å; V280-P316 HydrophobicContact CG2-CG 3.82Å
281C90.4Very high81.1Confident45 Ų4574.4 Ų74.430%0.30441%0.414SS..THydrogen-bonded Turntrans-110.4-9.5174.557.30000113.6C278 E283C278-C281 PolarHBondContact O-N 2.88Å; C278-C281 VanDerWaalsContact O-N 3.12Å; C278-C281 VanDerWaalsContact SG-SG 3.65Å; C281-E283 PolarHBondContact O-N 2.9Å; C281-E283 VanDerWaalsContact O-N 3.1Å
282I89.8Confident82.6Confident138 Ų13872.4 Ų72.471%0.70840%0.401SS*.  trans65.91.5-177.6-44.2176000112.9C278C278-I282 WeakPolarHBondContact O-CA 3.44Å; C278-I282 PolarHBondContact O-N 2.86Å
283E88.3Confident84Confident99 Ų9967.9 Ų67.946%0.46338%0.38SS..PPolyproline II helixtrans-75.9140.9174-66-168.8-139.900112.9C278 C281 K286C278-E283 PolarHBondContact N-O 2.71Å; C281-E283 PolarHBondContact O-N 2.9Å; C281-E283 VanDerWaalsContact O-N 3.1Å; E283-K286 IonicContact OE2-NZ 3.11Å; E283-K286 PolarHBondContact OE2-NZ 3.23Å
284G86.9Confident85.5Confident28 Ų2862.5 Ų62.529%0.28934%0.342SS..PPolyproline II helixtrans-73.1149.8167.300000112.5N277N277-G284 WeakPolarHBondContact OD1-CA 3.46Å; N277-G284 PolarHBondContact OD1-N 3.38Å
285Y86Confident86.7Confident24 Ų2458.3 Ų58.39%0.09432%0.323CS..PPolyproline II helixtrans-73.4145.7-173.4-63-64.6000113.4I264 E270 D276 C278 V291 L299 F300 H301I264-Y285 HydrophobicContact CD1-CD1 3.8Å; I264-Y285 HydrophobicContact CD1-CD2 4.34Å; I264-Y285 HydrophobicContact CD1-CG 3.64Å; E270-Y285 HydrophobicContact CB-CD2 4.47Å; D276-Y285 WeakPolarHBondContact O-CE2 3.43Å; C278-Y285 WeakPolarHBondContact CA-OH 3.09Å; C278-Y285 HydrophobicContact CB-CE1 3.76Å; Y285-V291 HydrophobicContact CD1-CG1 3.63Å; Y285-V291 HydrophobicContact CE1-CG1 3.45Å; Y285-V291 VanDerWaalsContact CE1-CG1 3.45Å; Y285-L299 VanDerWaalsContact OH-C 3.27Å; Y285-L299 PolarHBondContact OH-O 3.35Å; Y285-F300 WeakPolarHBondContact OH-CA 3.48Å; Y285-F300 PolarHBondContact OH-N 2.86Å; Y285-H301 AromaticContact CD1-CE1 3.57Å; Y285-H301 AromaticContact CD1-NE2 3.55Å; Y285-H301 AromaticContact CE1-CE1 3.64Å; Y285-H301 AromaticContact CE1-ND1 3.82Å; Y285-H301 AromaticContact CE1-NE2 3.95Å
286K84.9Confident87.8Confident103 Ų10356 Ų5645%0.44832%0.317SS..  trans-120.9153.1-176.5-65.6149.6-171.8171.30110.8E283 N288 D289E283-K286 IonicContact OE2-NZ 3.11Å; E283-K286 PolarHBondContact OE2-NZ 3.23Å; K286-N288 PolarHBondContact O-N 2.83Å; K286-D289 PolarHBondContact N-OD2 3.31Å; K286-D289 VanDerWaalsContact O-CB 3.24Å; K286-D289 WeakPolarHBondContact O-CB 3.43Å; K286-D289 VanDerWaalsContact O-CG 3.31Å; K286-D289 PolarHBondContact O-N 2.84Å
287P83.6Confident88.5Confident55 Ų5559.7 Ų59.736%0.35732%0.321SS..THydrogen-bonded Turntrans-57.9134.7173.1-23.533.8000111.9K266 T271 D289K266-P287 HydrophobicContact CB-CB 3.98Å; K266-P287 HydrophobicContact CB-CG 4.14Å; K266-P287 HydrophobicContact CG-CG 4.24Å; T271-P287 HydrophobicContact CG2-CG 4.11Å; P287-D289 VanDerWaalsContact C-N 3.34Å
288N85.3Confident88.7Confident128 Ų12858.1 Ų58.168%0.68431%0.311SS*.THydrogen-bonded Turntrans75.63.8-171.3-43.1-70.5000116.2T263 I264 K286 V290T263-N288 HydrophobicContact CG2-CB 4.48Å; I264-N288 WeakPolarHBondContact O-CA 3.37Å; I264-N288 PolarHBondContact O-N 3.4Å; K286-N288 PolarHBondContact O-N 2.83Å; N288-V290 PolarHBondContact O-N 3.02Å
289D88.4Confident88.7Confident35 Ų3560.6 Ų60.619%0.18732%0.324CS..  trans-60.5137.1170.8-80.9-9.3000111.3T263 I264 K286 P287 H301T263-D289 CarbonylContact C-O 3.59Å; T263-D289 WeakPolarHBondContact CA-O 3.46Å; I264-D289 HydrophobicContact CD1-CB 4.38Å; I264-D289 PolarHBondContact N-O 3.45Å; K286-D289 PolarHBondContact N-OD2 3.31Å; K286-D289 VanDerWaalsContact O-CB 3.24Å; K286-D289 WeakPolarHBondContact O-CB 3.43Å; K286-D289 VanDerWaalsContact O-CG 3.31Å; K286-D289 PolarHBondContact O-N 2.84Å; P287-D289 VanDerWaalsContact C-N 3.34Å; D289-H301 IonicContact OD2-CD2 3.05Å; D289-H301 IonicContact OD2-CE1 3.53Å; D289-H301 IonicContact OD2-NE2 3.55Å; D289-H301 PolarHBondContact OD2-NE2 2.61Å
290V90.4Very high89Confident62 Ų6258.2 Ų58.238%0.37630%0.304SS..EExtended strand (participates in β ladder)trans-95.9101.4176.7-177.90000108.8V261 N288 K302V261-V290 HydrophobicContact CG1-CG1 3.44Å; V261-V290 VanDerWaalsContact CG1-CG1 3.44Å; N288-V290 PolarHBondContact O-N 3.02Å; V290-K302 HydrophobicContact CG1-CB 4.08Å; V290-K302 HydrophobicContact CG1-CD 3.97Å; V290-K302 VanDerWaalsContact O-CB 3.29Å; V290-K302 WeakPolarHBondContact O-CB 3.3Å; V290-K302 PolarHBondContact O-N 2.76Å
291V91.3Very high89.2Confident0 Ų056.2 Ų56.20%029%0.291CS..EExtended strand (participates in β ladder)trans-100.2150.5179.1-640000112V261 R262 I264 Y285 L299 F300V261-V291 WeakPolarHBondContact CA-O 3.36Å; R262-V291 HydrophobicContact CB-CG2 4.11Å; R262-V291 PolarHBondContact N-O 2.83Å; R262-V291 WeakPolarHBondContact O-CG2 3.25Å; R262-V291 PolarHBondContact O-N 2.87Å; I264-V291 HydrophobicContact CD1-CB 4.48Å; I264-V291 HydrophobicContact CD1-CG1 3.6Å; I264-V291 HydrophobicContact CD1-CG2 4.04Å; I264-V291 HydrophobicContact CG1-CG1 4.22Å; I264-V291 HydrophobicContact CG1-CG2 3.9Å; Y285-V291 HydrophobicContact CD1-CG1 3.63Å; Y285-V291 HydrophobicContact CE1-CG1 3.45Å; Y285-V291 VanDerWaalsContact CE1-CG1 3.45Å; V291-L299 HydrophobicContact CG2-CD2 4.18Å; V291-F300 CarbonylContact C-O 3.48Å; V291-F300 WeakPolarHBondContact CA-O 3.47Å; V291-F300 WeakPolarHBondContact CB-O 3.11Å
292R91.9Very high89.3Confident5 Ų557.8 Ų57.82%0.01929%0.293CS..EExtended strand (participates in β ladder)trans-110.3135172.1-175.7-177.4-63.5-74.115.8109.5I256 L259 Q260 V261 L294 F300 V305 D306I256-R292 VanDerWaalsContact O-CZ 3.31Å; I256-R292 PolarHBondContact O-NH1 3.14Å; L259-R292 HydrophobicContact CB-CG 4.05Å; L259-R292 PolarHBondContact O-NH1 2.87Å; Q260-R292 WeakPolarHBondContact O-CA 3.35Å; Q260-R292 WeakPolarHBondContact O-CG 3.39Å; V261-R292 VanDerWaalsContact CG2-NH1 3.29Å; R292-L294 HydrophobicContact CG-CD1 4.48Å; R292-F300 PolarHBondContact N-O 3.09Å; R292-F300 PolarHBondContact O-N 3.34Å; R292-V305 HydrophobicContact CB-CG1 3.96Å; R292-D306 IonicContact CZ-OD1 2.87Å; R292-D306 IonicContact NE-OD1 2.66Å; R292-D306 PolarHBondContact NE-OD1 3Å; R292-D306 VanDerWaalsContact NH2-CG 3.32Å; R292-D306 IonicContact NH2-OD1 2.77Å; R292-D306 PolarHBondContact NH2-OD1 3.43Å; R292-D306 IonicContact NH2-OD2 2.83Å; R292-D306 PolarHBondContact NH2-OD2 3.14Å
293I90.8Very high89.3Confident26 Ų2655.6 Ų55.613%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-102.9123.1176.4-48.9-177.9000107.9Q260 L299Q260-I293 HydrophobicContact CB-CB 4.31Å; Q260-I293 HydrophobicContact CG-CD1 4.36Å; Q260-I293 PolarHBondContact O-N 2.92Å; I293-L299 HydrophobicContact CD1-CD2 4.11Å; I293-L299 HydrophobicContact CG1-CD2 3.89Å; I293-L299 HydrophobicContact CG1-CG 4.11Å
294L91.3Very high89.5Confident5 Ų552.5 Ų52.53%0.02628%0.278CS..  trans-83.4165.8178.7-80.365.3000110.9R292 C296 R297 H298 F300 V305 L309 C315 I322R292-L294 HydrophobicContact CG-CD1 4.48Å; L294-C296 PolarHBondContact O-N 3.12Å; L294-C296 VanDerWaalsContact O-N 3.1Å; L294-R297 WeakPolarHBondContact O-CA 3.49Å; L294-R297 PolarHBondContact O-N 3.19Å; L294-H298 PolarHBondContact N-O 3.48Å; L294-F300 HydrophobicContact CD1-CD2 3.67Å; L294-F300 HydrophobicContact CD1-CE2 3.91Å; L294-F300 HydrophobicContact CD2-CE2 4.04Å; L294-V305 HydrophobicContact CD1-CG2 4.31Å; L294-L309 HydrophobicContact CD1-CD1 4.36Å; L294-L309 HydrophobicContact CD2-CD1 4.47Å; L294-L309 HydrophobicContact CD2-CD2 4.14Å; L294-L309 HydrophobicContact CG-CD1 4.38Å; L294-C315 HydrophobicContact CD2-CB 3.65Å; L294-I322 HydrophobicContact CD2-CG2 4.06Å; L294-I322 HydrophobicContact CG-CG2 4.3Å
295P87.8Confident89.8Confident59 Ų5951.1 Ų51.138%0.38326%0.264SS..THydrogen-bonded Turntrans-61.3-21.6177.7-2436.4000113.9L259 R297 A325 L326L259-P295 HydrophobicContact CD2-CG 3.77Å; P295-R297 VanDerWaalsContact C-N 3.27Å; P295-A325 HydrophobicContact CB-CB 3.78Å; P295-A325 HydrophobicContact CG-CB 4.04Å; P295-L326 HydrophobicContact CG-CG 4.49Å
296C89.7Confident90Very high36 Ų3651.2 Ų51.224%0.24327%0.266CS..THydrogen-bonded Turntrans-83.27.6170.852.10000114.3L294 H298 C315 M320L294-C296 PolarHBondContact O-N 3.12Å; L294-C296 VanDerWaalsContact O-N 3.1Å; C296-H298 PolarHBondContact O-N 3.27Å; C296-C315 VanDerWaalsContact SG-SG 3.69Å; C296-M320 HydrophobicContact CB-CB 4.41Å; C296-M320 HydrophobicContact CB-CG 4.47Å
297R88.6Confident90.3Very high208 Ų20850 Ų5079%0.78527%0.269SS*.  trans65.6-2-178.7-57.6-165.7179.6107.11118.1L294 P295 L299L294-R297 WeakPolarHBondContact O-CA 3.49Å; L294-R297 PolarHBondContact O-N 3.19Å; P295-R297 VanDerWaalsContact C-N 3.27Å; R297-L299 WeakPolarHBondContact O-CD1 3.3Å
298H90.5Very high90.6Very high56 Ų5651.8 Ų51.826%0.25927%0.269SS..  trans-61.6139.1168.9-59.6130.2000111.8L294 C296 F300 C315 M317 C318L294-H298 PolarHBondContact N-O 3.48Å; C296-H298 PolarHBondContact O-N 3.27Å; H298-F300 HydrophobicContact CB-CE2 3.67Å; H298-F300 HydrophobicContact CB-CZ 4.03Å; H298-C315 PolarHBondContact ND1-SG 3Å; H298-M317 HydrophobicContact CB-CE 4.03Å; H298-M317 WeakPolarHBondContact CD2-CE 3.41Å; H298-C318 PolarHBondContact CE1-SG 2.76Å
299L90.1Very high90.8Very high52 Ų5245.7 Ų45.727%0.27224%0.236SC..EExtended strand (participates in β ladder)trans-105.6146.5179.1-6198.5000110.8E270 Y285 V291 I293 R297E270-L299 WeakPolarHBondContact OE2-CD2 3.22Å; Y285-L299 VanDerWaalsContact OH-C 3.27Å; Y285-L299 PolarHBondContact OH-O 3.35Å; V291-L299 HydrophobicContact CG2-CD2 4.18Å; I293-L299 HydrophobicContact CD1-CD2 4.11Å; I293-L299 HydrophobicContact CG1-CD2 3.89Å; I293-L299 HydrophobicContact CG1-CG 4.11Å; R297-L299 WeakPolarHBondContact O-CD1 3.3Å
300F92.8Very high90.7Very high0 Ų047.2 Ų47.20%024%0.244CC..EExtended strand (participates in β ladder)trans-152.7156.8174.2-53.2-93.2000109.4A279 V280 Y285 V291 R292 L294 H298 K302 V305 P316 M317A279-F300 HydrophobicContact CB-CE1 4.27Å; V280-F300 HydrophobicContact CG2-CD1 3.77Å; V280-F300 HydrophobicContact CG2-CE1 4.1Å; Y285-F300 WeakPolarHBondContact OH-CA 3.48Å; Y285-F300 PolarHBondContact OH-N 2.86Å; V291-F300 CarbonylContact C-O 3.48Å; V291-F300 WeakPolarHBondContact CA-O 3.47Å; V291-F300 WeakPolarHBondContact CB-O 3.11Å; R292-F300 PolarHBondContact N-O 3.09Å; R292-F300 PolarHBondContact O-N 3.34Å; L294-F300 HydrophobicContact CD1-CD2 3.67Å; L294-F300 HydrophobicContact CD1-CE2 3.91Å; L294-F300 HydrophobicContact CD2-CE2 4.04Å; H298-F300 HydrophobicContact CB-CE2 3.67Å; H298-F300 HydrophobicContact CB-CZ 4.03Å; F300-K302 PolarHBondContact O-N 2.74Å; F300-V305 HydrophobicContact CB-CB 3.64Å; F300-V305 HydrophobicContact CB-CG1 3.96Å; F300-V305 HydrophobicContact CB-CG2 4.01Å; F300-V305 HydrophobicContact CD1-CG2 4.47Å; F300-V305 HydrophobicContact CD2-CB 4.33Å; F300-V305 HydrophobicContact CD2-CG2 3.76Å; F300-V305 HydrophobicContact CE2-CG2 4.36Å; F300-V305 HydrophobicContact CG-CB 4.04Å; F300-V305 HydrophobicContact CG-CG2 3.83Å; F300-P316 HydrophobicContact CD1-CG 4.47Å; F300-P316 HydrophobicContact CE1-CB 3.95Å; F300-P316 HydrophobicContact CE1-CG 3.8Å; F300-P316 HydrophobicContact CZ-CB 4.09Å; F300-P316 HydrophobicContact CZ-CG 3.87Å; F300-M317 HydrophobicContact CE1-CG 4.19Å; F300-M317 HydrophobicContact CZ-CG 4.04Å
301H93.7Very high90.4Very high17 Ų1749.2 Ų49.28%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-56.6133.4164.9-63.496.6000110.7C278 Y285 D289 S303 C304 V305C278-H301 WeakPolarHBondContact CB-ND1 3.43Å; C278-H301 PolarHBondContact SG-N 2.89Å; C278-H301 PolarHBondContact SG-ND1 2.97Å; Y285-H301 AromaticContact CD1-CE1 3.57Å; Y285-H301 AromaticContact CD1-NE2 3.55Å; Y285-H301 AromaticContact CE1-CE1 3.64Å; Y285-H301 AromaticContact CE1-ND1 3.82Å; Y285-H301 AromaticContact CE1-NE2 3.95Å; D289-H301 IonicContact OD2-CD2 3.05Å; D289-H301 IonicContact OD2-CE1 3.53Å; D289-H301 IonicContact OD2-NE2 3.55Å; D289-H301 PolarHBondContact OD2-NE2 2.61Å; H301-S303 VanDerWaalsContact C-N 3.26Å; H301-S303 PolarHBondContact O-N 2.74Å; H301-C304 HydrophobicContact CB-CB 4.18Å; H301-C304 PolarHBondContact O-N 3.23Å; H301-V305 PolarHBondContact O-N 3.14Å
302K92.4Very high90.1Very high78 Ų7853.7 Ų53.734%0.33927%0.273SS..Hα-helixtrans-56.9-40.6-179-178.4-166.1172.6-57.30111.8V290 F300 C304 D306V290-K302 HydrophobicContact CG1-CB 4.08Å; V290-K302 HydrophobicContact CG1-CD 3.97Å; V290-K302 VanDerWaalsContact O-CB 3.29Å; V290-K302 WeakPolarHBondContact O-CB 3.3Å; V290-K302 PolarHBondContact O-N 2.76Å; F300-K302 PolarHBondContact O-N 2.74Å; K302-C304 VanDerWaalsContact C-N 3.33Å; K302-C304 PolarHBondContact O-N 3.24Å; K302-D306 WeakPolarHBondContact CE-OD2 3.23Å; K302-D306 WeakPolarHBondContact CG-OD2 3.3Å; K302-D306 IonicContact NZ-OD2 2.87Å; K302-D306 PolarHBondContact NZ-OD2 3.24Å; K302-D306 VanDerWaalsContact O-CB 3.24Å; K302-D306 WeakPolarHBondContact O-CB 3.36Å; K302-D306 PolarHBondContact O-N 3.49Å; K302-D306 VanDerWaalsContact O-N 3.07Å
303S91.6Very high90Very high91 Ų9156.2 Ų56.264%0.63628%0.283SS*.Hα-helixtrans-60.8-38.2176.741.20000113.2H301 P307H301-S303 VanDerWaalsContact C-N 3.26Å; H301-S303 PolarHBondContact O-N 2.74Å; S303-P307 WeakPolarHBondContact O-CD 3.22Å
304C91.1Very high90Very high34 Ų3456.1 Ų56.123%0.2328%0.284CS..Hα-helixtrans-80.6-38.6-177.4-58.90000112.2V280 H301 K302V280-C304 HydrophobicContact CB-CB 3.96Å; V280-C304 HydrophobicContact CG1-CB 3.79Å; H301-C304 HydrophobicContact CB-CB 4.18Å; H301-C304 PolarHBondContact O-N 3.23Å; K302-C304 VanDerWaalsContact C-N 3.33Å; K302-C304 PolarHBondContact O-N 3.24Å
305V92.6Very high90Very high0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-91.3-22.8-173.482.10000114.3R292 L294 F300 H301 W308 L309 P316R292-V305 HydrophobicContact CB-CG1 3.96Å; L294-V305 HydrophobicContact CD1-CG2 4.31Å; F300-V305 HydrophobicContact CB-CB 3.64Å; F300-V305 HydrophobicContact CB-CG1 3.96Å; F300-V305 HydrophobicContact CB-CG2 4.01Å; F300-V305 HydrophobicContact CD1-CG2 4.47Å; F300-V305 HydrophobicContact CD2-CB 4.33Å; F300-V305 HydrophobicContact CD2-CG2 3.76Å; F300-V305 HydrophobicContact CE2-CG2 4.36Å; F300-V305 HydrophobicContact CG-CB 4.04Å; F300-V305 HydrophobicContact CG-CG2 3.83Å; H301-V305 PolarHBondContact O-N 3.14Å; V305-W308 PolarHBondContact O-N 3.46Å; V305-L309 HydrophobicContact CG1-CD1 4.26Å; V305-L309 HydrophobicContact CG2-CD1 3.91Å; V305-L309 HydrophobicContact CG2-CG 4.01Å; V305-L309 WeakPolarHBondContact O-CB 3.11Å; V305-L309 VanDerWaalsContact O-CG 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.24Å; V305-L309 PolarHBondContact O-N 3.21Å; V305-P316 HydrophobicContact CG2-CG 4.44Å
306D91.3Very high90.1Very high25 Ų2554.7 Ų54.713%0.13427%0.274CS..Hα-helixtrans-60.6-46.3176.8-80.4-0.7000113I256 R292 K302 L309 L310I256-D306 WeakPolarHBondContact CG2-OD1 3.36Å; R292-D306 IonicContact CZ-OD1 2.87Å; R292-D306 IonicContact NE-OD1 2.66Å; R292-D306 PolarHBondContact NE-OD1 3Å; R292-D306 VanDerWaalsContact NH2-CG 3.32Å; R292-D306 IonicContact NH2-OD1 2.77Å; R292-D306 PolarHBondContact NH2-OD1 3.43Å; R292-D306 IonicContact NH2-OD2 2.83Å; R292-D306 PolarHBondContact NH2-OD2 3.14Å; K302-D306 WeakPolarHBondContact CE-OD2 3.23Å; K302-D306 WeakPolarHBondContact CG-OD2 3.3Å; K302-D306 IonicContact NZ-OD2 2.87Å; K302-D306 PolarHBondContact NZ-OD2 3.24Å; K302-D306 VanDerWaalsContact O-CB 3.24Å; K302-D306 WeakPolarHBondContact O-CB 3.36Å; K302-D306 PolarHBondContact O-N 3.49Å; K302-D306 VanDerWaalsContact O-N 3.07Å; D306-L309 PolarHBondContact O-N 3.38Å; D306-L310 VanDerWaalsContact O-CG 3.29Å; D306-L310 WeakPolarHBondContact O-CG 3.46Å; D306-L310 PolarHBondContact O-N 2.93Å
307P90.9Very high90.1Very high79 Ų7957.4 Ų57.451%0.51329%0.285SS..Hα-helixtrans-59.9-45.9175-23.934.7000112.7S303 L309 L310 D311S303-P307 WeakPolarHBondContact O-CD 3.22Å; P307-L309 PolarHBondContact O-N 3.05Å; P307-L310 PolarHBondContact O-N 3.43Å; P307-D311 PolarHBondContact O-N 2.92Å
308W90.4Very high90.1Very high92 Ų9250.3 Ų50.335%0.34827%0.266SS..Hα-helixtrans-58.9-45.5178.7-178.9-82.4000112V305 L310 D311 H312 T314 P316V305-W308 PolarHBondContact O-N 3.46Å; W308-L310 VanDerWaalsContact C-N 3.35Å; W308-L310 PolarHBondContact O-N 2.85Å; W308-D311 PolarHBondContact O-N 3.44Å; W308-H312 HydrophobicContact CD2-CB 4.46Å; W308-H312 AromaticContact CH2-CD2 3.84Å; W308-H312 HydrophobicContact CZ2-CB 4.4Å; W308-H312 AromaticContact CZ2-CD2 3.68Å; W308-H312 WeakPolarHBondContact O-CB 3.23Å; W308-H312 PolarHBondContact O-N 2.94Å; W308-T314 PolarHBondContact NE1-O 3.32Å; W308-P316 HydrophobicContact CD2-CG 4.17Å; W308-P316 HydrophobicContact CG-CG 4.08Å
309L89.1Confident90Very high0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-71.7-26.1-177.1-69.1172.6000113.7I256 L259 L294 V305 D306 P307 D311 R313 T314 I322I256-L309 VanDerWaalsContact CD1-C 3.47Å; I256-L309 HydrophobicContact CD1-CB 3.66Å; I256-L309 HydrophobicContact CG1-CB 3.92Å; L259-L309 HydrophobicContact CD1-CD1 4.04Å; L294-L309 HydrophobicContact CD1-CD1 4.36Å; L294-L309 HydrophobicContact CD2-CD1 4.47Å; L294-L309 HydrophobicContact CD2-CD2 4.14Å; L294-L309 HydrophobicContact CG-CD1 4.38Å; V305-L309 HydrophobicContact CG1-CD1 4.26Å; V305-L309 HydrophobicContact CG2-CD1 3.91Å; V305-L309 HydrophobicContact CG2-CG 4.01Å; V305-L309 WeakPolarHBondContact O-CB 3.11Å; V305-L309 VanDerWaalsContact O-CG 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.24Å; V305-L309 PolarHBondContact O-N 3.21Å; D306-L309 PolarHBondContact O-N 3.38Å; P307-L309 PolarHBondContact O-N 3.05Å; L309-D311 VanDerWaalsContact C-N 3.34Å; L309-R313 VanDerWaalsContact O-CA 3.25Å; L309-R313 WeakPolarHBondContact O-CA 2.93Å; L309-R313 WeakPolarHBondContact O-CG 3.39Å; L309-R313 PolarHBondContact O-N 3.26Å; L309-T314 WeakPolarHBondContact CD2-O 3.46Å; L309-I322 HydrophobicContact CB-CD1 4.13Å; L309-I322 HydrophobicContact CD1-CD1 4.27Å; L309-I322 HydrophobicContact CD2-CD1 3.93Å; L309-I322 HydrophobicContact CD2-CG1 4.04Å; L309-I322 HydrophobicContact CD2-CG2 3.83Å; L309-I322 HydrophobicContact CG-CD1 4.33Å
310L86.4Confident89.9Confident66 Ų6658.1 Ų58.135%0.34630%0.3SS..Hα-helixtrans-65.3-41.1175.2-74.2166.1000111.7K253 I256 D306 P307 W308K253-L310 HydrophobicContact CB-CD2 4.19Å; K253-L310 HydrophobicContact CG-CD2 3.34Å; I256-L310 HydrophobicContact CD1-CB 4.44Å; I256-L310 HydrophobicContact CD1-CD2 3.71Å; I256-L310 HydrophobicContact CD1-CG 3.85Å; D306-L310 VanDerWaalsContact O-CG 3.29Å; D306-L310 WeakPolarHBondContact O-CG 3.46Å; D306-L310 PolarHBondContact O-N 2.93Å; P307-L310 PolarHBondContact O-N 3.43Å; W308-L310 VanDerWaalsContact C-N 3.35Å; W308-L310 PolarHBondContact O-N 2.85Å
311D84.4Confident89.6Confident104 Ų10459.8 Ų59.856%0.55631%0.309SS*.Hα-helixtrans-89.3-65-175.5-171.153.2000111.4P307 W308 L309 R313P307-D311 PolarHBondContact O-N 2.92Å; W308-D311 PolarHBondContact O-N 3.44Å; L309-D311 VanDerWaalsContact C-N 3.34Å; D311-R313 PolarHBondContact O-NE 2.69Å
312H85.4Confident89.2Confident94 Ų9459 Ų5944%0.43531%0.305SS..THydrogen-bonded Turntrans-82-18.1-173.2-71.750.3000114.5W308 T314W308-H312 HydrophobicContact CD2-CB 4.46Å; W308-H312 AromaticContact CH2-CD2 3.84Å; W308-H312 HydrophobicContact CZ2-CB 4.4Å; W308-H312 AromaticContact CZ2-CD2 3.68Å; W308-H312 WeakPolarHBondContact O-CB 3.23Å; W308-H312 PolarHBondContact O-N 2.94Å; H312-T314 WeakPolarHBondContact O-CB 3.33Å; H312-T314 VanDerWaalsContact O-CG2 3.3Å; H312-T314 WeakPolarHBondContact O-CG2 3.37Å; H312-T314 PolarHBondContact O-N 2.61Å; H312-T314 PolarHBondContact O-OG1 3.44Å
313R88.6Confident88.7Confident59 Ų5955.8 Ų55.822%0.22329%0.292CS..  trans54.618.8173.6-55.9160.3-154.2147.414.7115.3L309 D311 N321 I322 L323L309-R313 VanDerWaalsContact O-CA 3.25Å; L309-R313 WeakPolarHBondContact O-CA 2.93Å; L309-R313 WeakPolarHBondContact O-CG 3.39Å; L309-R313 PolarHBondContact O-N 3.26Å; D311-R313 PolarHBondContact O-NE 2.69Å; R313-N321 WeakPolarHBondContact O-CA 3.39Å; R313-I322 VanDerWaalsContact O-CG1 3.32Å; R313-I322 WeakPolarHBondContact O-CG1 3.41Å; R313-I322 PolarHBondContact O-N 2.7Å; R313-L323 HydrophobicContact CB-CD1 4.36Å; R313-L323 HydrophobicContact CB-CG 4.47Å; R313-L323 HydrophobicContact CG-CD1 4.16Å
314T90.6Very high88.2Confident24 Ų2458.8 Ų58.815%0.14729%0.293CS..BIsolated β-bridgetrans-135.7150.3-169.447.70000110W308 L309 H312 K319 M320 N321W308-T314 PolarHBondContact NE1-O 3.32Å; L309-T314 WeakPolarHBondContact CD2-O 3.46Å; H312-T314 WeakPolarHBondContact O-CB 3.33Å; H312-T314 VanDerWaalsContact O-CG2 3.3Å; H312-T314 WeakPolarHBondContact O-CG2 3.37Å; H312-T314 PolarHBondContact O-N 2.61Å; H312-T314 PolarHBondContact O-OG1 3.44Å; T314-K319 WeakPolarHBondContact CG2-O 3.26Å; T314-M320 CarbonylContact C-O 3.57Å; T314-M320 VanDerWaalsContact CA-O 3.31Å; T314-M320 WeakPolarHBondContact CA-O 3.43Å; T314-N321 HydrophobicContact CG2-CB 4.22Å
315C91.4Very high87.5Confident1 Ų159.7 Ų59.71%0.00730%0.303CS..  trans-66.8129.9174.9177.90000111L294 C296 H298 M317 K319 M320L294-C315 HydrophobicContact CD2-CB 3.65Å; C296-C315 VanDerWaalsContact SG-SG 3.69Å; H298-C315 PolarHBondContact ND1-SG 3Å; C315-M317 VanDerWaalsContact C-N 3.27Å; C315-M317 PolarHBondContact O-N 3.44Å; C315-K319 VanDerWaalsContact O-CA 3.24Å; C315-K319 WeakPolarHBondContact O-CA 3.46Å; C315-K319 PolarHBondContact O-N 2.87Å; C315-M320 PolarHBondContact N-O 2.99Å
316P91.1Very high86.7Confident32 Ų3262.8 Ų62.821%0.20832%0.32CS..THydrogen-bonded Turntrans-51.1-41.5175.9-28.332.9000114.3V280 F300 V305 W308V280-P316 HydrophobicContact CG2-CB 4.27Å; V280-P316 HydrophobicContact CG2-CG 3.82Å; F300-P316 HydrophobicContact CD1-CG 4.47Å; F300-P316 HydrophobicContact CE1-CB 3.95Å; F300-P316 HydrophobicContact CE1-CG 3.8Å; F300-P316 HydrophobicContact CZ-CB 4.09Å; F300-P316 HydrophobicContact CZ-CG 3.87Å; V305-P316 HydrophobicContact CG2-CG 4.44Å; W308-P316 HydrophobicContact CD2-CG 4.17Å; W308-P316 HydrophobicContact CG-CG 4.08Å
317M88.6Confident85.8Confident93 Ų9364.7 Ų64.746%0.45835%0.345SS..THydrogen-bonded Turntrans-84.1-42.1-173.3-59-154.9-56.100114.2A279 H298 F300 C315A279-M317 HydrophobicContact CB-CG 3.97Å; A279-M317 HydrophobicContact CB-SD 3.65Å; H298-M317 HydrophobicContact CB-CE 4.03Å; H298-M317 WeakPolarHBondContact CD2-CE 3.41Å; F300-M317 HydrophobicContact CE1-CG 4.19Å; F300-M317 HydrophobicContact CZ-CG 4.04Å; C315-M317 VanDerWaalsContact C-N 3.27Å; C315-M317 PolarHBondContact O-N 3.44Å
318C89.1Confident84.8Confident59 Ų5964 Ų6440%0.39934%0.336SS..THydrogen-bonded Turntrans-1156.1-175.268.40000115.5H298 M320H298-C318 PolarHBondContact CE1-SG 2.76Å; C318-M320 PolarHBondContact O-N 3.43Å
319K89.3Confident83.3Confident173 Ų17364.4 Ų64.475%0.75235%0.351SS*.  trans56.67.9179.3-54.6-177.5-178.6-178.10115.5T314 C315 N321T314-K319 WeakPolarHBondContact CG2-O 3.26Å; C315-K319 VanDerWaalsContact O-CA 3.24Å; C315-K319 WeakPolarHBondContact O-CA 3.46Å; C315-K319 PolarHBondContact O-N 2.87Å; K319-N321 PolarHBondContact O-N 3.19Å
320M87.3Confident81.7Confident100 Ų10068 Ų6849%0.49337%0.374SS..  trans-61.1124.9177.418061.270.200111.3C296 T314 C315 C318 I322C296-M320 HydrophobicContact CB-CB 4.41Å; C296-M320 HydrophobicContact CB-CG 4.47Å; T314-M320 CarbonylContact C-O 3.57Å; T314-M320 VanDerWaalsContact CA-O 3.31Å; T314-M320 WeakPolarHBondContact CA-O 3.43Å; C315-M320 PolarHBondContact N-O 2.99Å; C318-M320 PolarHBondContact O-N 3.43Å; M320-I322 PolarHBondContact O-N 3.33Å
321N87Confident80Confident35 Ų3570.4 Ų70.419%0.18739%0.387CS..BIsolated β-bridgetrans-72.7119.5179.7-175.5-66.2000111.3R313 T314 K319 L323 K324 A325R313-N321 WeakPolarHBondContact O-CA 3.39Å; T314-N321 HydrophobicContact CG2-CB 4.22Å; K319-N321 PolarHBondContact O-N 3.19Å; N321-L323 PolarHBondContact O-N 3.1Å; N321-L323 PolarHBondContact OD1-N 2.9Å; N321-K324 HydrophobicContact CB-CB 4.29Å; N321-K324 PolarHBondContact OD1-N 3.22Å; N321-A325 PolarHBondContact O-N 3.46Å
322I85.3Confident78.2Confident0 Ų070 Ų700%040%0.398CS..Hα-helixtrans-73.1-27.3-173.960.2146.6000113.5I256 L259 L294 L309 R313 M320 L326I256-I322 HydrophobicContact CG1-CD1 3.68Å; L259-I322 HydrophobicContact CD1-CD1 3.93Å; L294-I322 HydrophobicContact CD2-CG2 4.06Å; L294-I322 HydrophobicContact CG-CG2 4.3Å; L309-I322 HydrophobicContact CB-CD1 4.13Å; L309-I322 HydrophobicContact CD1-CD1 4.27Å; L309-I322 HydrophobicContact CD2-CD1 3.93Å; L309-I322 HydrophobicContact CD2-CG1 4.04Å; L309-I322 HydrophobicContact CD2-CG2 3.83Å; L309-I322 HydrophobicContact CG-CD1 4.33Å; R313-I322 VanDerWaalsContact O-CG1 3.32Å; R313-I322 WeakPolarHBondContact O-CG1 3.41Å; R313-I322 PolarHBondContact O-N 2.7Å; M320-I322 PolarHBondContact O-N 3.33Å; I322-L326 WeakPolarHBondContact O-CB 3.13Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.32Å; I322-L326 PolarHBondContact O-N 3.4Å; I322-L326 VanDerWaalsContact O-N 3.13Å
323L81.9Confident76.3Confident10 Ų1072.3 Ų72.35%0.05241%0.414CS..Hα-helixtrans-74.2-44.6-177.9-56-177.4000110.3A252 A255 R313 N321 A325 L326 G327 I328A252-L323 HydrophobicContact CB-CD1 4.48Å; A255-L323 HydrophobicContact CB-CD2 3.44Å; A255-L323 VanDerWaalsContact CB-CD2 3.44Å; R313-L323 HydrophobicContact CB-CD1 4.36Å; R313-L323 HydrophobicContact CB-CG 4.47Å; R313-L323 HydrophobicContact CG-CD1 4.16Å; N321-L323 PolarHBondContact O-N 3.1Å; N321-L323 PolarHBondContact OD1-N 2.9Å; L323-A325 VanDerWaalsContact C-N 3.3Å; L323-A325 PolarHBondContact O-N 2.69Å; L323-L326 PolarHBondContact O-N 3.41Å; L323-L326 VanDerWaalsContact O-N 3.09Å; L323-G327 PolarHBondContact O-N 3.06Å; L323-I328 CarbonylContact C-O 3.57Å; L323-I328 PolarHBondContact O-N 3.45Å; L323-I328 VanDerWaalsContact O-N 3.15Å
324K80.3Confident74.3Confident154 Ų15472.5 Ų72.567%0.6742%0.424SS*.Hα-helixtrans-58.5-41.8172.6-171.8177.2-178.3178.50111.5N321 L326 G327N321-K324 HydrophobicContact CB-CB 4.29Å; N321-K324 PolarHBondContact OD1-N 3.22Å; K324-L326 VanDerWaalsContact C-N 3.27Å; K324-L326 PolarHBondContact O-N 2.68Å; K324-G327 PolarHBondContact O-N 2.93Å
325A77.2Confident71.9Confident53 Ų5378.9 Ų78.944%0.43845%0.454SS..Hα-helixtrans-69.1-21.2177.100000114.1P295 N321 L323 G327P295-A325 HydrophobicContact CB-CB 3.78Å; P295-A325 HydrophobicContact CG-CB 4.04Å; N321-A325 PolarHBondContact O-N 3.46Å; L323-A325 VanDerWaalsContact C-N 3.3Å; L323-A325 PolarHBondContact O-N 2.69Å; A325-G327 VanDerWaalsContact C-N 3.34Å
326L75.8Confident69.5Low66 Ų6686.3 Ų86.335%0.34649%0.493SS..THydrogen-bonded Turntrans-90.99.6174.7-72.5171000113.4A255 L259 P295 I322 L323 K324 I328A255-L326 HydrophobicContact CB-CD1 4Å; L259-L326 HydrophobicContact CD2-CD1 3.94Å; L259-L326 HydrophobicContact CD2-CD2 4.14Å; L259-L326 HydrophobicContact CD2-CG 4.35Å; L259-L326 HydrophobicContact CG-CD1 4.38Å; P295-L326 HydrophobicContact CG-CG 4.49Å; I322-L326 WeakPolarHBondContact O-CB 3.13Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.32Å; I322-L326 PolarHBondContact O-N 3.4Å; I322-L326 VanDerWaalsContact O-N 3.13Å; L323-L326 PolarHBondContact O-N 3.41Å; L323-L326 VanDerWaalsContact O-N 3.09Å; K324-L326 VanDerWaalsContact C-N 3.27Å; K324-L326 PolarHBondContact O-N 2.68Å; L326-I328 HydrophobicContact CB-CD1 4.45Å; L326-I328 HydrophobicContact CB-CG1 4.42Å; L326-I328 PolarHBondContact O-N 3.24Å
327G71.2Confident67.1Low65 Ų6590.6 Ų90.667%0.6752%0.515SS*.THydrogen-bonded Turntrans69.611.4-17900000114.3L323 K324 A325 P329L323-G327 PolarHBondContact O-N 3.06Å; K324-G327 PolarHBondContact O-N 2.93Å; A325-G327 VanDerWaalsContact C-N 3.34Å; G327-P329 WeakPolarHBondContact O-CD 3.36Å
328I71.2Confident64.4Low64 Ų6493.7 Ų93.733%0.32853%0.532SS..  trans-83.9113.9172.7-57.8173.2000106.5A255 L323 L326 P330A255-I328 HydrophobicContact CB-CD1 3.57Å; L323-I328 CarbonylContact C-O 3.57Å; L323-I328 PolarHBondContact O-N 3.45Å; L323-I328 VanDerWaalsContact O-N 3.15Å; L326-I328 HydrophobicContact CB-CD1 4.45Å; L326-I328 HydrophobicContact CB-CG1 4.42Å; L326-I328 PolarHBondContact O-N 3.24Å; I328-P330 WeakPolarHBondContact O-CD 3.25Å
329P59.3Low61.8Low101 Ų10195.3 Ų95.366%0.65654%0.542SS*.PPolyproline II helixtrans-63125.717626.3-32.8000108.6G327 N331G327-P329 WeakPolarHBondContact O-CD 3.36Å; P329-N331 PolarHBondContact O-N 2.85Å
330P55.4Low59.3Low76 Ų7693.9 Ų93.949%0.49455%0.548SS..PPolyproline II helixtrans-64.9124.9164.128.1-31.3000107.4I328 A332I328-P330 WeakPolarHBondContact O-CD 3.25Å; P330-A332 PolarHBondContact O-N 3.24Å
331N49Very low56.7Low115 Ų11595.7 Ų95.762%0.61556%0.56SS**PPolyproline II helixtrans-58.6116.5162.5-84.95000107P329 D333P329-N331 PolarHBondContact O-N 2.85Å; N331-D333 VanDerWaalsContact C-N 3.3Å; N331-D333 PolarHBondContact O-N 2.96Å
332A47Very low54.6Low95 Ų95103.7 Ų103.779%0.78559%0.593SS**SBendtrans-8075.7-169.100000111.2P330P330-A332 PolarHBondContact O-N 3.24Å
333D45.4Very low51.9Low143 Ų143113.2 Ų113.277%0.76564%0.637SS**SBendtrans-149.66.8178.5-88.5-45.4000113.3N331N331-D333 VanDerWaalsContact C-N 3.3Å; N331-D333 PolarHBondContact O-N 2.96Å
334C47.3Very low49.6Very low63 Ų63115.4 Ų115.443%0.42666%0.662SS.*SBendtrans-138.129.1-162.6-63.20000115.8L248L248-C334 HydrophobicContact CD2-CB 4.43Å
335M40.5Very low47.2Very low159 Ų159114 Ų11478%0.78367%0.672SS**  trans-141.571168.9-72.4-151.175.300111.1
336D39.9Very low45Very low157 Ų157120.3 Ų120.384%0.8470%0.697SS**  trans-155.744.6169-125.94.4000109.1
337D41.4Very low42.8Very low122 Ų122120.9 Ų120.965%0.65272%0.72SS**  trans-147.578-179.1-92.6-34.4000108.3R241R241-D337 IonicContact CZ-OD2 2.8Å; R241-D337 IonicContact NH1-OD2 3.31Å; R241-D337 IonicContact NH2-OD2 3.58Å; R241-D337 PolarHBondContact NH2-OD2 3.35Å
338L30.6Very low40.7Very low158 Ų158121.5 Ų121.583%0.82773%0.726SS**  trans-146.6119.6163.9-170.471.6000109.8
339P36.5Very low39Very low93 Ų93124.3 Ų124.360%0.60475%0.748SS**  trans-61.5143.6176-22.834.5000112.3D341P339-D341 WeakPolarHBondContact CB-OD1 3.46Å
340T35.2Very low38.3Very low142 Ų142124.4 Ų124.487%0.87175%0.749SS**  trans-105.873.9176.2-54.50000108.7F342T340-F342 PolarHBondContact O-N 3.37Å; T340-F342 VanDerWaalsContact O-N 3.17Å
341D34.1Very low37.1Very low139 Ų139127.6 Ų127.674%0.74377%0.767SS**  trans-88.690.1-166.4-66-6.3000111.8P339P339-D341 WeakPolarHBondContact CB-OD1 3.46Å
342F41.4Very low36.2Very low202 Ų202128.5 Ų128.589%0.88677%0.772SS**  trans44.890.1138.6-149.2-88.6000118.4T340T340-F342 PolarHBondContact O-N 3.37Å; T340-F342 VanDerWaalsContact O-N 3.17Å
343E29.1Very low35.4Very low200 Ų200133.5 Ų133.594%0.93578%0.779SS**  trans-115.5140.9151.4-160.4176.7164.300108.8
344G33.4Very low34.7Very low56 Ų56134 Ų13458%0.57778%0.78SS**  trans-123.7-164.7-167.100000114.7
345S31.1Very low33.9Very low124 Ų124137.7 Ų137.787%0.86780%0.801SS**  trans75.990175.5-153.80000116.6
346L30.7Very low33.2Very low186 Ų186133.5 Ų133.597%0.97480%0.799SS**  trans-98.2120.6146.3-76.7174.3000108.3
347G29.1Very low32.8Very low79 Ų79130.6 Ų130.681%0.81480%0.796SS**  trans-106.8132.517100000111.3
348G26.6Very low32.3Very low77 Ų77129.4 Ų129.479%0.79480%0.797SS**  trans172.696.4178.900000114.2
349P35.5Very low32.3Very low123 Ų123128.3 Ų128.380%0.79979%0.792SS**  trans-110.9-169.6-179.842.1-33.7000112
350P45.2Very low31.9Very low104 Ų104129.9 Ų129.968%0.67580%0.801SS**  cis-129.1175.7-37.631.7-15000112.5
351T29.5Very low31.6Very low143 Ų143128.8 Ų128.888%0.87779%0.794SS**  -168.4156.7125120000113.2
352N31.4Very low31.3Very low134 Ų134127.7 Ų127.772%0.71779%0.792SS**  trans-84.2156.8-164.1-50.1-29.2000114.5
353Q30Very low30.6Very low199 Ų199124.3 Ų124.393%0.9378%0.783SS**  -156.1153.2105.3-111170.690.800112.9
354I30.3Very low30.5Very low153 Ų153121.8 Ų121.879%0.78577%0.771SS**  trans-138.9124.9-172-63.7172.4000110.2
355T29.4Very low30.3Very low142 Ų142124.1 Ų124.187%0.87178%0.779SS**  trans-166.3138.9143.310.90000105.7
356G27.7Very low30.2Very low71 Ų71123.4 Ų123.473%0.73277%0.774SS**  cis101.6127.622.800000109.1
357A30.6Very low30.4Very low95 Ų95121.1 Ų121.179%0.78577%0.767SS**  cis-161.4-175.6-2.100000110.5
358S31.1Very low30.3Very low97 Ų97123.1 Ų123.168%0.67876%0.764SS**  trans70.4108.7154.1-75.90000122.4
359D30.4Very low30.3Very low135 Ų135126.4 Ų126.472%0.72276%0.762SS**  77.8121.3112.8-53.2-41.7000123.8
360T28.7Very low29.9Very low127 Ų127127.6 Ų127.678%0.77976%0.762SS**  trans88.5141.6140.223.90000124.3
361T28.5Very low29.7Very low118 Ų118127.5 Ų127.572%0.72476%0.761SS**  trans78.1102.7147.741.70000122.5
362V27.9Very low29.6Very low117 Ų117124.7 Ų124.771%0.70975%0.753SS**  63.9119.7110.7174.70000119.5
363N27Very low29.4Very low130 Ų130124.5 Ų124.570%0.69576%0.756SS**  trans59.7173.4150.5102-24.2000118.3
364E27.4Very low29.3Very low147 Ų147126.5 Ų126.569%0.68776%0.755SS**  cis-153.3158.1-28.9-131167.4131.600109.2
365S28.9Very low29.1Very low105 Ų105125.3 Ų125.373%0.73476%0.755SS**  trans59.8-176.1163.5-43.60000114.1
366S29.1Very low29.1Very low109 Ų109125.4 Ų125.476%0.76276%0.755SS**  cis-141.7157.9-7.9-33.70000111.4
367V34.5Very low29Very low138 Ų138125.1 Ų125.184%0.83675%0.752SS**  trans-49.2141.6163.6176.30000113.7
368T25.6Very low28.7Very low121 Ų121125.3 Ų125.374%0.74275%0.754SS**  trans-177.9151.4147.436.60000108.6
369L28.3Very low28.4Very low147 Ų147127.7 Ų127.777%0.7776%0.758SS**  cis-162.1130.4-10.7-111.2166.9000109.8
370D26.1Very low28.2Very low147 Ų147128.7 Ų128.779%0.78676%0.759SS**  trans55.4-166.3141.3-1266.8000118.4
371P41.7Very low28Very low102 Ų102128.4 Ų128.466%0.66276%0.756SS**  cis-134.5178.4-16.637.1-18000117
372A27.2Very low27.8Very low85 Ų85128.1 Ų128.170%0.70275%0.754SS**  trans66.8123149.800000120
373V27.7Very low27.7Very low129 Ų129130.8 Ų130.878%0.78276%0.759SS**  cis83.511248.3174.70000115.2
374R28Very low27.6Very low241 Ų241131.2 Ų131.291%0.90976%0.761SS**  trans-170.6168.6130.2-105.2178.3-174.5105.71.2112.4
375T26.3Very low27.6Very low129 Ų129130.7 Ų130.779%0.79177%0.768SS**  trans-150.9174-161.2-41.80000111.6
376V29.2Very low27.5Very low143 Ų143132.6 Ų132.687%0.86777%0.77SS**  trans86.6131.5170.4-170.10000115.5
377G25.1Very low27.9Very low65 Ų65132.8 Ų132.867%0.6777%0.769SS**  cis160.2164.5-11.300000115.5
378A24.8Very low27.5Very low99 Ų99132 Ų13282%0.81876%0.764SS**  trans61.3155.2167.100000117.8
379L23.2Very low28.2Very low148 Ų148131.4 Ų131.478%0.77576%0.763SS**  cis-142.2-169.825-148.469.9000107.8
380Q27.1Very low28.1Very low156 Ų156132.1 Ų132.173%0.72976%0.762SS**  cis-165.7169.32.4-160.5-180-10.100109.1
381V24.7Very low28Very low120 Ų120133.3 Ų133.373%0.72776%0.763SS**  trans72.3134.4160.1-177.70000117.5
382V25.1Very low27.4Very low113 Ų113132.2 Ų132.269%0.68577%0.77SS**  cis-158.8159-19.4129.40000108.4
383Q24.9Very low27.4Very low173 Ų173137 Ų13781%0.80878%0.778SS**  trans-7.6170.5164-55.5166.3-79.400122.7
384D24.5Very low27.4Very low138 Ų138135.9 Ų135.974%0.73877%0.772SS**  cis179.4137.3-46.2-138.3-23.8000109.7
385T27.7Very low27.3Very low136 Ų136131.8 Ų131.883%0.83477%0.766SS**  trans60.1151.5160.744.80000124.9
386D26.6Very low27.4Very low145 Ų145134.8 Ų134.878%0.77577%0.768SS**  trans-73.7-178.3176.7-132.36.6000113.3
387P37.1Very low27.2Very low114 Ų114134 Ų13474%0.7476%0.764SS**  cis-144.6-163.225.843.3-20000118.3
388T26.5Very low27.2Very low120 Ų120136 Ų13674%0.73676%0.764SS**  trans-89.7-171.8179.461.50000113.4
389P41Very low27.2Very low110 Ų110138.7 Ų138.771%0.71476%0.764SS**  cis-139.1-146.42.144.8-23.1000115.7
390Q25.5Very low27.3Very low161 Ų161137 Ų13775%0.75277%0.765SS**  trans89.5149.6-179-64.8-177.8-79.600116
391E25.1Very low27.2Very low173 Ų173137.8 Ų137.881%0.80877%0.768SS**  cis-155.3166.80.1-134.4164.5-15400110.9
392G27.6Very low27.3Very low79 Ų79139.5 Ų139.581%0.81477%0.768SS**  trans162.8103.3169.900000119.8
393E27.4Very low27.3Very low184 Ų184141.5 Ų141.586%0.8677%0.77SS**  trans-82.2168.5168.2-93.7-162.110600113.2
394V27.3Very low27.8Very low107 Ų107139.1 Ų139.165%0.64877%0.77SS**  cis-174.4178.9-14.366.40000110.8
395I27.5Very low27.9Very low155 Ų155136.3 Ų136.380%0.79577%0.766SS**  trans89.8148.8157.7-82.2168000121.5
396F28.6Very low27.9Very low191 Ų191136.1 Ų136.184%0.83876%0.764SS**  trans-121.7149-171.8-119.1-104.8000110.8
397T25Very low27.9Very low128 Ų128134 Ų13479%0.78576%0.761SS**  trans-173.5125.8152.835.30000108.4
398T24.4Very low27.4Very low107 Ų107133.2 Ų133.266%0.65676%0.758SS**  cis99105.242.458.80000115.6
399N25Very low27.5Very low154 Ų154134.8 Ų134.882%0.82476%0.762SS**  trans69.2140.3137.4-68.615.3000125.3
400S25.8Very low27.1Very low113 Ų113134.1 Ų134.179%0.7976%0.76SS**  trans88102.7139.9-66.50000122.9
401E24.7Very low27.4Very low172 Ų172132.8 Ų132.880%0.80476%0.758SS**  trans-165.9154.6130.4-91-124.3107.700107
402Q25.9Very low27.7Very low156 Ų156131.7 Ų131.773%0.72976%0.756SS**  cis-165.7159.6-13.3177.461.4-89.800108.6
403E25.8Very low27.8Very low156 Ų156133 Ų13373%0.72975%0.753SS**  trans-114.3154.5176.2-133.6-168.2164.700112
404P35Very low28Very low122 Ų122130.9 Ų130.979%0.79275%0.747SS**  -150.9-176.48439.7-19.7000117.1
405A25.7Very low28.2Very low80 Ų80133.6 Ų133.666%0.66176%0.756SS**  trans-61.8177.4-17600000116.7
406V27.8Very low28.4Very low132 Ų132134.2 Ų134.280%0.876%0.757SS**  cis-161168.646.8-153.70000113.5
407S26.6Very low28.4Very low101 Ų101129.8 Ų129.871%0.70676%0.756SS**  trans68.4120.6166.337.20000117.5
408S27.8Very low28.7Very low97 Ų97132.6 Ų132.668%0.67876%0.762SS**  76.2140.777.793.50000113
409D28.9Very low28.9Very low152 Ų152136.6 Ų136.681%0.81377%0.773SS**  cis-136.6-177.819.4-87.8-72.4000114.5
410S31.9Very low29.3Very low97 Ų97136.2 Ų136.268%0.67878%0.777SS**  trans-93.4171.7-168.7-47.10000116.3
411D30.9Very low29.3Very low133 Ų133133.7 Ų133.771%0.71177%0.769SS**  trans67122.7152.2-58-38.4000118.7
412I31.9Very low29.5Very low149 Ų149133.9 Ų133.976%0.76477%0.774SS**  73.7131.961.1-64.7173.6000112.7
413S30.6Very low29.9Very low106 Ų106131 Ų13174%0.74177%0.771SS**  trans110.9147177.9-55.40000113.5
414L30.3Very low30.2Very low141 Ų141131.4 Ų131.474%0.73878%0.778SS**  cis-144.5151.2-2.1-154.177.1000110.5M416L414-M416 HydrophobicContact CD2-CG 4.23Å
415I32.6Very low30.2Very low163 Ų163132 Ų13284%0.83678%0.779SS**  trans-87.9134.2160.2-63.8170.3000107.6
416M30.7Very low30.4Very low169 Ų169137.3 Ų137.383%0.83379%0.79SS**  trans-114.7123.2164.7-83.6-167.2-82.700110.8L414L414-M416 HydrophobicContact CD2-CG 4.23Å
417A29.8Very low30.5Very low97 Ų97138.9 Ų138.980%0.80279%0.794SS**  trans-76.7159.6157.100000109.4
418M29.7Very low30.6Very low188 Ų188139 Ų13993%0.92679%0.794SS**  trans-139.2109.6-179-175172.3175.400109.1
419E30.1Very low30.8Very low190 Ų190141.1 Ų141.189%0.88880%0.803SS**  trans-103.3158.2177.4-78.9-166.6120.500113.1
420V33Very low30.9Very low147 Ų147141 Ų14189%0.89180%0.803SS**  trans-50.4147.8-174.3-169.60000115.2
421G26.7Very low31Very low60 Ų60145 Ų14562%0.61981%0.81SS**  trans-172.2145.3159.800000113.1
422L29Very low31Very low176 Ų176145.1 Ų145.192%0.92181%0.811SS**  trans71.3139.5-179.3-56.3163.1000115.4
423S32.5Very low31Very low96 Ų96144.3 Ų144.367%0.67182%0.817SS**  cis-165.4145.3-11.948.90000110.7
424D32.1Very low31.2Very low164 Ų164147.7 Ų147.788%0.87782%0.822SS**  trans-68.9137.9177.4-53-81.2000113.6
425V34.8Very low31.5Very low134 Ų134150.4 Ų150.481%0.81283%0.831SS**  trans-142116.1160176.70000107.6
426E31.7Very low31.9Very low191 Ų191147.8 Ų147.889%0.89382%0.822SS**  trans-72.9138.4171.1-63.9-176.8120.100110.8
427L28.9Very low32.2Very low166 Ų166148.4 Ų148.487%0.86982%0.82SS**  trans-144.7127.5155.5-167.466.1000109.4
428S28.6Very low32.8Very low102 Ų102153.1 Ų153.171%0.71385%0.847SS**  trans-81.8151.8-17648.70000112.8
429T31.9Very low33Very low142 Ų142151.4 Ų151.487%0.87184%0.843SS**  trans-159.7114.6152.6-13.90000109.9
430D31.5Very low33.1Very low151 Ų151149.3 Ų149.381%0.80784%0.84SS**  trans-75139.4166.6-57.6-80.2000110.1
431Q33.7Very low33.1Very low179 Ų179149.4 Ų149.484%0.83684%0.837SS**  trans-155.3135152.4-157.873.590.100110.3
432D30.3Very low33.5Very low136 Ų136154.7 Ų154.773%0.72785%0.85SS**  trans-68.2156.8-171.9-49.2-100.2000114.6
433C32.6Very low33.8Very low132 Ų132153.4 Ų153.489%0.89285%0.846SS**  trans-135.593.5155.7-79.40000108.8
434E34.2Very low33.9Very low178 Ų178157.2 Ų157.283%0.83286%0.858SS**  trans-67.4130.4157.5-71-169.8101.700109.1
435E37.2Very low34Very low198 Ų198156.7 Ų156.793%0.92586%0.856SS**  trans-144.8156.8136.9-135.2-173.3140.600111.3
436V39.7Very low33.9Very low107 Ų107158.5 Ų158.565%0.64886%0.86SS**  trans-126.3114.5-148.3167.60000111.6
437K38.7Very low34.1Very low183 Ų183155.8 Ų155.880%0.79686%0.857SS**  trans62.2113.2142-178.9-169.2176.9-177.10118.3
438S42Very low34.6Very low195 Ų195154.8 Ų154.8100%1.36486%0.856SS**  -153.10112.2-75.90000110.7

Retrieved 438 of 438 residues in 172.7 ms (Link to these results)