| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.5 | Very low | 85 | Confident | 233 Ų | 233 | 147.6 Ų | 147.6 | 100% | 1.148 | 79% | 0.787 | S | S | * | * | 0 | 116 | 0 | -146.8 | 174.8 | -169.8 | 0 | 0 | 105.2 | V3 | M1-V3 PolarHBondContact O-N 3.38Š| |||
| 2 | E | 56.5 | Low | 85.8 | Confident | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 124.4 | 175.3 | -58.8 | -164 | 169.9 | 0 | 0 | 107.3 | ||||
| 3 | V | 81 | Confident | 86.6 | Confident | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | trans | -96.7 | 120.5 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | M1 | M1-V3 PolarHBondContact O-N 3.38Š| ||
| 4 | M | 85.9 | Confident | 87.3 | Confident | 163 Ų | 163 | 123.6 Ų | 123.6 | 80% | 0.803 | 67% | 0.666 | S | S | * | * | trans | -130 | 132.5 | -178.7 | -143.8 | 152.1 | 157 | 0 | 0 | 107.6 | ||||
| 5 | D | 92.4 | Very high | 88 | Confident | 129 Ų | 129 | 121.1 Ų | 121.1 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | trans | -69.6 | 134.8 | -179.7 | -62.9 | -45.3 | 0 | 0 | 0 | 110.1 | F7 | D5-F7 HydrophobicContact CB-CD2 4.32Å; D5-F7 HydrophobicContact CB-CE2 3.4Å; D5-F7 HydrophobicContact CB-CZ 3.53Å | ||
| 6 | V | 93.9 | Very high | 88.6 | Confident | 137 Ų | 137 | 113.8 Ų | 113.8 | 83% | 0.83 | 61% | 0.607 | S | S | * | * | trans | -110.1 | 125.2 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | F | 94.4 | Very high | 89.1 | Confident | 180 Ų | 180 | 112.6 Ų | 112.6 | 79% | 0.789 | 60% | 0.597 | S | S | * | * | trans | -122.5 | 157.5 | 178.9 | -55.3 | -80.5 | 0 | 0 | 0 | 110.4 | D5 | D5-F7 HydrophobicContact CB-CD2 4.32Å; D5-F7 HydrophobicContact CB-CE2 3.4Å; D5-F7 HydrophobicContact CB-CZ 3.53Å | ||
| 8 | S | 95.9 | Very high | 89.5 | Confident | 119 Ų | 119 | 110 Ų | 110 | 83% | 0.832 | 59% | 0.586 | S | S | * | * | trans | -134.3 | 150.8 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | T | 95.9 | Very high | 89.9 | Confident | 69 Ų | 69 | 106.8 Ų | 106.8 | 42% | 0.423 | 57% | 0.567 | S | S | . | * | trans | -142.6 | 141.8 | 177.1 | -177 | 0 | 0 | 0 | 0 | 108.9 | D11 L12 | T9-D11 VanDerWaalsContact C-N 3.34Å; T9-D11 PolarHBondContact OG1-N 3.33Å; T9-D11 PolarHBondContact OG1-O 3.32Å; T9-D11 VanDerWaalsContact OG1-O 3.07Å; T9-L12 HydrophobicContact CG2-CB 4.31Å; T9-L12 HydrophobicContact CG2-CD1 4.35Å | ||
| 10 | D | 95.5 | Very high | 90.2 | Very high | 177 Ų | 177 | 103.1 Ų | 103.1 | 95% | 0.947 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -81.9 | -19.4 | 172.7 | -58.9 | -49 | 0 | 0 | 0 | 111.7 | ||
| 11 | D | 95.8 | Very high | 90.5 | Very high | 91 Ų | 91 | 105.9 Ų | 105.9 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | trans | -121.5 | 88.9 | 177.4 | 179.8 | 16 | 0 | 0 | 0 | 110 | T9 T13 G14 F15 | T9-D11 VanDerWaalsContact C-N 3.34Å; T9-D11 PolarHBondContact OG1-N 3.33Å; T9-D11 PolarHBondContact OG1-O 3.32Å; T9-D11 VanDerWaalsContact OG1-O 3.07Å; D11-T13 PolarHBondContact OD1-N 2.92Å; D11-G14 PolarHBondContact OD1-N 2.83Å; D11-G14 WeakPolarHBondContact OD2-CA 3.44Å; D11-F15 WeakPolarHBondContact O-CB 3.29Å; D11-F15 PolarHBondContact O-N 3.33Å | ||
| 12 | L | 95.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.3 | -43.5 | 176.9 | -179.9 | 60.9 | 0 | 0 | 0 | 110.9 | T9 F15 L16 V72 | T9-L12 HydrophobicContact CG2-CB 4.31Å; T9-L12 HydrophobicContact CG2-CD1 4.35Å; L12-F15 WeakPolarHBondContact O-CB 3.32Å; L12-F15 PolarHBondContact O-N 3.41Å; L12-L16 HydrophobicContact CD1-CD1 4.4Å; L12-L16 HydrophobicContact CD1-CD2 4.36Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 HydrophobicContact CG-CG 4.33Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.4Å; L12-V72 HydrophobicContact CD2-CG2 3.94Å |
| 13 | T | 95.7 | Very high | 94.8 | Very high | 17 Ų | 17 | 93.1 Ų | 93.1 | 10% | 0.104 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -58.8 | -51.7 | -178 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | D11 F15 L16 Q17 E71 S75 | D11-T13 PolarHBondContact OD1-N 2.92Å; T13-F15 VanDerWaalsContact C-N 3.31Å; T13-F15 PolarHBondContact O-N 3.45Å; T13-L16 PolarHBondContact O-N 3.12Å; T13-Q17 WeakPolarHBondContact O-CG 3.42Å; T13-Q17 PolarHBondContact O-N 3.38Å; T13-E71 WeakPolarHBondContact CB-OE1 3.19Å; T13-E71 HydrophobicContact CG2-CG 3.97Å; T13-E71 WeakPolarHBondContact CG2-OE1 3.37Å; T13-E71 VanDerWaalsContact OG1-CD 3.24Å; T13-E71 PolarHBondContact OG1-OE1 3.44Å; T13-S75 WeakPolarHBondContact CG2-OG 3.46Å |
| 14 | G | 96.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 90.6 Ų | 90.6 | 17% | 0.165 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | D11 T18 | D11-G14 PolarHBondContact OD1-N 2.83Å; D11-G14 WeakPolarHBondContact OD2-CA 3.44Å; G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.28Å; G14-T18 PolarHBondContact O-N 3.41Å; G14-T18 PolarHBondContact O-OG1 2.91Å |
| 15 | F | 97.3 | Very high | 96 | Very high | 86 Ų | 86 | 83.7 Ų | 83.7 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.2 | 175.7 | -97.5 | 0 | 0 | 0 | 112.1 | D11 L12 T13 Q17 T18 K19 L58 | D11-F15 WeakPolarHBondContact O-CB 3.29Å; D11-F15 PolarHBondContact O-N 3.33Å; L12-F15 WeakPolarHBondContact O-CB 3.32Å; L12-F15 PolarHBondContact O-N 3.41Å; T13-F15 VanDerWaalsContact C-N 3.31Å; T13-F15 PolarHBondContact O-N 3.45Å; F15-Q17 PolarHBondContact O-N 2.75Å; F15-T18 PolarHBondContact O-N 3.39Å; F15-K19 HydrophobicContact CD1-CG 4.46Å; F15-K19 HydrophobicContact CD2-CG 4.43Å; F15-K19 HydrophobicContact CE1-CG 4.07Å; F15-K19 HydrophobicContact CE2-CD 4.47Å; F15-K19 HydrophobicContact CE2-CG 4.05Å; F15-K19 HydrophobicContact CZ-CD 4.3Å; F15-K19 HydrophobicContact CZ-CG 3.86Å; F15-K19 WeakPolarHBondContact O-CB 3.46Å; F15-K19 WeakPolarHBondContact O-CG 3.49Å; F15-K19 PolarHBondContact O-N 3.2Å; F15-L58 HydrophobicContact CE1-CD1 4.01Å; F15-L58 HydrophobicContact CE1-CD2 4.48Å |
| 16 | L | 97.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 178.5 | -66.5 | 179.1 | 0 | 0 | 0 | 111.2 | L12 T13 K19 A20 V26 L58 V60 V72 | L12-L16 HydrophobicContact CD1-CD1 4.4Å; L12-L16 HydrophobicContact CD1-CD2 4.36Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.15Å; L12-L16 HydrophobicContact CG-CG 4.33Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.4Å; T13-L16 PolarHBondContact O-N 3.12Å; L16-K19 PolarHBondContact O-N 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.38Å; L16-A20 PolarHBondContact O-N 3.07Å; L16-V26 HydrophobicContact CB-CG1 4.34Å; L16-V26 HydrophobicContact CB-CG2 4.49Å; L16-V26 HydrophobicContact CD1-CG1 4.39Å; L16-V26 HydrophobicContact CD2-CG1 4Å; L16-V26 HydrophobicContact CG-CG1 4.46Å; L16-L58 HydrophobicContact CD2-CD1 4.09Å; L16-V60 HydrophobicContact CD1-CG2 4.2Å; L16-V60 HydrophobicContact CD2-CG2 3.79Å; L16-V72 HydrophobicContact CD1-CG1 3.93Å |
| 17 | Q | 96.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.7 | -70.4 | 176.7 | 5.2 | 0 | 0 | 112.1 | T13 F15 K19 A20 Q21 | T13-Q17 WeakPolarHBondContact O-CG 3.42Å; T13-Q17 PolarHBondContact O-N 3.38Å; F15-Q17 PolarHBondContact O-N 2.75Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 3.17Å; Q17-A20 WeakPolarHBondContact O-CB 3.05Å; Q17-A20 PolarHBondContact O-N 3.09Å; Q17-Q21 WeakPolarHBondContact O-CG 3.33Å; Q17-Q21 PolarHBondContact O-N 3.41Å |
| 18 | T | 97.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 111 | G14 F15 Q21 Q22 | G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.28Å; G14-T18 PolarHBondContact O-N 3.41Å; G14-T18 PolarHBondContact O-OG1 2.91Å; F15-T18 PolarHBondContact O-N 3.39Å; T18-Q21 PolarHBondContact O-N 3.3Å; T18-Q22 WeakPolarHBondContact O-CG 3.45Å; T18-Q22 PolarHBondContact O-N 3.24Å; T18-Q22 VanDerWaalsContact O-N 3.08Å |
| 19 | K | 97 | Very high | 96.5 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 21% | 0.213 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 178.8 | -71.2 | -76.8 | 168.7 | -159 | 0 | 112.1 | F15 L16 Q17 Q21 Q22 G23 W24 L58 | F15-K19 HydrophobicContact CD1-CG 4.46Å; F15-K19 HydrophobicContact CD2-CG 4.43Å; F15-K19 HydrophobicContact CE1-CG 4.07Å; F15-K19 HydrophobicContact CE2-CD 4.47Å; F15-K19 HydrophobicContact CE2-CG 4.05Å; F15-K19 HydrophobicContact CZ-CD 4.3Å; F15-K19 HydrophobicContact CZ-CG 3.86Å; F15-K19 WeakPolarHBondContact O-CB 3.46Å; F15-K19 WeakPolarHBondContact O-CG 3.49Å; F15-K19 PolarHBondContact O-N 3.2Å; L16-K19 PolarHBondContact O-N 3.22Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 3.17Å; K19-Q21 VanDerWaalsContact C-N 3.33Å; K19-Q21 PolarHBondContact O-N 3.07Å; K19-Q22 CarbonylContact O-C 3.53Å; K19-Q22 WeakPolarHBondContact O-CA 3.48Å; K19-Q22 WeakPolarHBondContact O-CB 3.29Å; K19-Q22 PolarHBondContact O-N 3.02Å; K19-Q22 VanDerWaalsContact O-N 3.09Å; K19-G23 PolarHBondContact O-N 3.46Å; K19-W24 HydrophobicContact CB-CB 4.21Å; K19-W24 HydrophobicContact CB-CG 4.32Å; K19-W24 HydrophobicContact CD-CD2 4.36Å; K19-W24 HydrophobicContact CD-CG 4.34Å; K19-W24 VanDerWaalsContact O-CB 3.28Å; K19-W24 WeakPolarHBondContact O-CB 3.35Å; K19-W24 PolarHBondContact O-N 2.93Å; K19-L58 HydrophobicContact CB-CD1 3.41Å; K19-L58 VanDerWaalsContact CB-CD1 3.41Å; K19-L58 HydrophobicContact CD-CD1 4.48Å; K19-L58 HydrophobicContact CG-CD1 3.73Å |
| 20 | A | 96.1 | Very high | 96.3 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 Q17 Q22 G23 W24 V26 Q77 | L16-A20 WeakPolarHBondContact O-CB 3.38Å; L16-A20 PolarHBondContact O-N 3.07Å; Q17-A20 WeakPolarHBondContact O-CB 3.05Å; Q17-A20 PolarHBondContact O-N 3.09Å; A20-Q22 PolarHBondContact O-N 3.01Å; A20-G23 PolarHBondContact O-N 2.83Å; A20-W24 WeakPolarHBondContact CA-O 3.43Å; A20-V26 HydrophobicContact CB-CG2 4.08Å; A20-Q77 VanDerWaalsContact CB-NE2 3.32Å |
| 21 | Q | 96.6 | Very high | 96 | Very high | 163 Ų | 163 | 49.6 Ų | 49.6 | 76% | 0.762 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.2 | -28.5 | 175.6 | -67.9 | 171.2 | 15.1 | 0 | 0 | 113 | Q17 T18 K19 G23 | Q17-Q21 WeakPolarHBondContact O-CG 3.33Å; Q17-Q21 PolarHBondContact O-N 3.41Å; T18-Q21 PolarHBondContact O-N 3.3Å; K19-Q21 VanDerWaalsContact C-N 3.33Å; K19-Q21 PolarHBondContact O-N 3.07Å; Q21-G23 PolarHBondContact O-N 3.43Å |
| 22 | Q | 96.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 47 Ų | 47 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.1 | 173.2 | -68.3 | 172.6 | 0.5 | 0 | 0 | 113.4 | T18 K19 A20 | T18-Q22 WeakPolarHBondContact O-CG 3.45Å; T18-Q22 PolarHBondContact O-N 3.24Å; T18-Q22 VanDerWaalsContact O-N 3.08Å; K19-Q22 CarbonylContact O-C 3.53Å; K19-Q22 WeakPolarHBondContact O-CA 3.48Å; K19-Q22 WeakPolarHBondContact O-CB 3.29Å; K19-Q22 PolarHBondContact O-N 3.02Å; K19-Q22 VanDerWaalsContact O-N 3.09Å; A20-Q22 PolarHBondContact O-N 3.01Å |
| 23 | G | 96.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 11.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K19 A20 Q21 | K19-G23 PolarHBondContact O-N 3.46Å; A20-G23 PolarHBondContact O-N 2.83Å; Q21-G23 PolarHBondContact O-N 3.43Å |
| 24 | W | 97.3 | Very high | 92.8 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | trans | -78 | 139.5 | 171.4 | -67 | 58.9 | 0 | 0 | 0 | 110.4 | K19 A20 P56 L58 Q77 | K19-W24 HydrophobicContact CB-CB 4.21Å; K19-W24 HydrophobicContact CB-CG 4.32Å; K19-W24 HydrophobicContact CD-CD2 4.36Å; K19-W24 HydrophobicContact CD-CG 4.34Å; K19-W24 VanDerWaalsContact O-CB 3.28Å; K19-W24 WeakPolarHBondContact O-CB 3.35Å; K19-W24 PolarHBondContact O-N 2.93Å; A20-W24 WeakPolarHBondContact CA-O 3.43Å; W24-P56 CarbonylContact C-O 3.58Å; W24-P56 VanDerWaalsContact CA-O 3.32Å; W24-P56 WeakPolarHBondContact CA-O 3.28Å; W24-P56 HydrophobicContact CD2-CB 3.54Å; W24-P56 HydrophobicContact CE3-CB 3.67Å; W24-P56 HydrophobicContact CG-CB 4Å; W24-P56 HydrophobicContact CH2-CB 4.24Å; W24-P56 HydrophobicContact CZ2-CB 4.1Å; W24-P56 HydrophobicContact CZ3-CB 4.04Å; W24-L58 HydrophobicContact CE3-CD2 3.96Å; W24-L58 HydrophobicContact CE3-CG 3.79Å; W24-L58 HydrophobicContact CZ3-CD2 4.02Å; W24-L58 HydrophobicContact CZ3-CG 4.36Å; W24-Q77 PolarHBondContact O-NE2 3.34Å | ||
| 25 | L | 96.6 | Very high | 91 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123.2 | 166.3 | 174.7 | 66 | 0 | 0 | 0 | 109.3 | F51 R55 P56 T57 L58 Q77 | L25-F51 HydrophobicContact CD2-CE2 3.39Å; L25-F51 HydrophobicContact CD2-CZ 3.46Å; L25-F51 VanDerWaalsContact CD2-CZ 3.46Å; L25-R55 HydrophobicContact CB-CG 4.05Å; L25-P56 PolarHBondContact N-O 2.84Å; L25-T57 HydrophobicContact CB-CG2 4.38Å; L25-T57 HydrophobicContact CD2-CG2 4.12Å; L25-T57 HydrophobicContact CG-CG2 4.31Å; L25-T57 CarbonylContact O-C 3.52Å; L25-T57 VanDerWaalsContact O-CA 3.29Å; L25-T57 WeakPolarHBondContact O-CA 3.23Å; L25-L58 PolarHBondContact O-N 2.84Å; L25-Q77 HydrophobicContact CD1-CB 4.02Å |
| 26 | V | 97.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.4 | 170.1 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | L16 A20 L58 V60 C76 Q77 L78 | L16-V26 HydrophobicContact CB-CG1 4.34Å; L16-V26 HydrophobicContact CB-CG2 4.49Å; L16-V26 HydrophobicContact CD1-CG1 4.39Å; L16-V26 HydrophobicContact CD2-CG1 4Å; L16-V26 HydrophobicContact CG-CG1 4.46Å; A20-V26 HydrophobicContact CB-CG2 4.08Å; V26-L58 HydrophobicContact CG2-CD1 4.29Å; V26-V60 HydrophobicContact CG1-CG2 4Å; V26-C76 HydrophobicContact CG1-CB 4.4Å; V26-Q77 PolarHBondContact O-N 3.48Å; V26-L78 PolarHBondContact O-N 2.88Å |
| 27 | A | 96.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T57 L58 L59 V60 L78 L80 | A27-T57 HydrophobicContact CB-CG2 4.18Å; A27-L58 PolarHBondContact N-O 3.17Å; A27-L59 CarbonylContact O-C 3.57Å; A27-L59 WeakPolarHBondContact O-CA 3.29Å; A27-V60 PolarHBondContact O-N 3.35Å; A27-L78 CarbonylContact C-O 3.55Å; A27-L78 WeakPolarHBondContact CA-O 3.2Å; A27-L80 HydrophobicContact CB-CD1 4.13Å; A27-L80 HydrophobicContact CB-CG 4.35Å |
| 28 | G | 96.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 170.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L78 L79 L80 | G28-L78 PolarHBondContact N-O 2.98Å; G28-L79 CarbonylContact O-C 3.51Å; G28-L79 WeakPolarHBondContact O-CA 3.36Å; G28-L80 PolarHBondContact O-N 2.9Å |
| 29 | T | 95.3 | Very high | 82.2 | Confident | 21 Ų | 21 | 67 Ų | 67 | 13% | 0.129 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139 | 173.8 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | L59 V60 L61 L68 L80 L104 | T29-L59 HydrophobicContact CG2-CD1 4.01Å; T29-V60 PolarHBondContact N-O 3.14Å; T29-V60 VanDerWaalsContact N-O 3.12Å; T29-V60 PolarHBondContact OG1-O 3.31Å; T29-L61 HydrophobicContact CG2-CD2 3.77Å; T29-L68 WeakPolarHBondContact O-CD1 3.43Å; T29-L80 WeakPolarHBondContact CA-O 3.47Å; T29-L104 HydrophobicContact CG2-CD1 3.38Å |
| 30 | V | 92.3 | Very high | 80 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 21% | 0.212 | 41% | 0.41 | C | S | . | . | trans | -130.5 | 157.9 | 174 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | I45 L79 L80 T81 | V30-I45 HydrophobicContact CG2-CD1 4.43Å; V30-I45 HydrophobicContact CG2-CG1 4.43Å; V30-I45 HydrophobicContact CG2-CG2 4.12Å; V30-L79 HydrophobicContact CG1-CB 4.16Å; V30-L79 HydrophobicContact CG1-CD1 3.83Å; V30-L79 HydrophobicContact CG1-CD2 4.14Å; V30-L79 HydrophobicContact CG1-CG 4.24Å; V30-L79 HydrophobicContact CG2-CB 3.99Å; V30-L80 PolarHBondContact N-O 3.03Å; V30-T81 PolarHBondContact O-OG1 3.24Å | ||
| 31 | G | 88.1 | Confident | 78.2 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 40% | 0.402 | 41% | 0.414 | S | S | . | . | trans | -62.4 | -177.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | P33 T81 | G31-P33 WeakPolarHBondContact O-CD 3.35Å; G31-T81 PolarHBondContact O-OG1 3.45Å | ||
| 32 | C | 79.6 | Confident | 77.1 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 124.9 | 172.3 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | S34 P84 L88 | C32-S34 PolarHBondContact O-N 2.97Å; C32-S34 VanDerWaalsContact O-N 3.13Å; C32-P84 VanDerWaalsContact SG-CD 3.56Å; C32-L88 HydrophobicContact CB-CD1 4.02Å |
| 33 | P | 74.4 | Confident | 76.7 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 49% | 0.494 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 121.9 | 176 | 24.2 | -31.3 | 0 | 0 | 0 | 108.5 | G31 | G31-P33 WeakPolarHBondContact O-CD 3.35Š|
| 34 | S | 66.9 | Low | 76.6 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 144.8 | 177 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | C32 E36 D37 | C32-S34 PolarHBondContact O-N 2.97Å; C32-S34 VanDerWaalsContact O-N 3.13Å; S34-E36 PolarHBondContact O-N 3.34Å; S34-E36 VanDerWaalsContact O-N 3.17Å; S34-D37 PolarHBondContact O-N 2.98Å |
| 35 | T | 57.9 | Low | 76.4 | Confident | 144 Ų | 144 | 70.7 Ų | 70.7 | 88% | 0.883 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.1 | 177 | 26.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 36 | E | 52.1 | Low | 76.2 | Confident | 147 Ų | 147 | 72.8 Ų | 72.8 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.8 | -178.5 | 48.5 | -107.1 | 76.5 | 0 | 0 | 116.3 | S34 P38 | S34-E36 PolarHBondContact O-N 3.34Å; S34-E36 VanDerWaalsContact O-N 3.17Å; E36-P38 WeakPolarHBondContact O-CD 3.34Å |
| 37 | D | 52.9 | Low | 76 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | trans | -123.4 | 80.8 | 177.2 | -110.2 | -41.3 | 0 | 0 | 0 | 110.4 | S34 Q39 | S34-D37 PolarHBondContact O-N 2.98Å; D37-Q39 HydrophobicContact CB-CG 4.23Å; D37-Q39 PolarHBondContact O-N 3.26Å; D37-Q39 WeakPolarHBondContact OD1-CG 3.35Å; D37-Q39 PolarHBondContact OD1-NE2 3.08Å | ||
| 38 | P | 48.6 | Very low | 75.8 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 72% | 0.721 | 43% | 0.428 | S | S | * | . | trans | -73.7 | 60.3 | 162.7 | 33.6 | -32 | 0 | 0 | 0 | 108 | E36 S40 | E36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.4Å | ||
| 39 | Q | 50.3 | Low | 75.6 | Confident | 135 Ų | 135 | 79.6 Ų | 79.6 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | trans | -70.2 | 98.6 | 166.4 | -64.6 | -62.3 | -13.5 | 0 | 0 | 105.7 | D37 S41 | D37-Q39 HydrophobicContact CB-CG 4.23Å; D37-Q39 PolarHBondContact O-N 3.26Å; D37-Q39 WeakPolarHBondContact OD1-CG 3.35Å; D37-Q39 PolarHBondContact OD1-NE2 3.08Å; Q39-S41 PolarHBondContact O-N 3.33Å | ||
| 40 | S | 50.8 | Low | 75.4 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 83% | 0.832 | 48% | 0.483 | S | S | * | . | trans | -48.2 | 66.1 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | P38 E42 | P38-S40 VanDerWaalsContact C-N 3.26Å; P38-S40 PolarHBondContact O-N 3.4Å; S40-E42 PolarHBondContact O-N 2.73Å | ||
| 41 | S | 58.1 | Low | 75.4 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | trans | -79 | 114.4 | 164.3 | -66.6 | 0 | 0 | 0 | 0 | 105.8 | Q39 I43 | Q39-S41 PolarHBondContact O-N 3.33Å; S41-I43 PolarHBondContact O-N 3.19Å | ||
| 42 | E | 74.2 | Confident | 75.5 | Confident | 202 Ų | 202 | 86 Ų | 86 | 94% | 0.944 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -58.4 | -14.3 | 169.5 | -68.3 | -176.9 | 161 | 0 | 0 | 112 | S40 | S40-E42 PolarHBondContact O-N 2.73Š|
| 43 | I | 89.3 | Confident | 76 | Confident | 27 Ų | 27 | 86.8 Ų | 86.8 | 14% | 0.138 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -81 | 127.8 | -176.1 | -53.7 | 161 | 0 | 0 | 0 | 109.9 | S41 Q73 L79 | S41-I43 PolarHBondContact O-N 3.19Å; I43-Q73 WeakPolarHBondContact CD1-O 3.29Å; I43-L79 HydrophobicContact CB-CD1 4.18Å; I43-L79 HydrophobicContact CB-CG 4.27Å; I43-L79 HydrophobicContact CG2-CD1 4.24Å; I43-L79 HydrophobicContact CG2-CG 3.78Å |
| 44 | P | 92.8 | Very high | 76.8 | Confident | 77 Ų | 77 | 90 Ų | 90 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 139.2 | 178.8 | 23.9 | -32.8 | 0 | 0 | 0 | 111.7 | L78 L79 | P44-L78 HydrophobicContact CB-CD1 4.15Å; P44-L78 HydrophobicContact CG-CD1 3.91Å; P44-L78 WeakPolarHBondContact O-CD1 3.2Å; P44-L79 PolarHBondContact O-N 3.5Å |
| 45 | I | 93 | Very high | 77.9 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.8 | 170.8 | -58.5 | 172.5 | 0 | 0 | 0 | 108.6 | V30 L79 T81 | V30-I45 HydrophobicContact CG2-CD1 4.43Å; V30-I45 HydrophobicContact CG2-CG1 4.43Å; V30-I45 HydrophobicContact CG2-CG2 4.12Å; I45-L79 CarbonylContact C-O 3.55Å; I45-L79 VanDerWaalsContact CA-O 3.32Å; I45-L79 WeakPolarHBondContact CA-O 3.15Å; I45-L79 HydrophobicContact CG1-CB 4.12Å; I45-L79 HydrophobicContact CG1-CD1 4.3Å; I45-T81 HydrophobicContact CG2-CG2 3.77Å |
| 46 | M | 92.8 | Very high | 79.6 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 31% | 0.305 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.7 | -177.9 | 176.5 | 179 | -75.2 | 0 | 0 | 111.4 | E50 F51 L78 L79 L80 T81 | M46-E50 HydrophobicContact CG-CB 4.07Å; M46-E50 HydrophobicContact SD-CB 4.42Å; M46-F51 HydrophobicContact SD-CB 4.16Å; M46-F51 HydrophobicContact SD-CD2 4.19Å; M46-L78 HydrophobicContact CB-CD1 3.82Å; M46-L78 HydrophobicContact CB-CD2 4.44Å; M46-L78 HydrophobicContact CB-CG 4.43Å; M46-L78 HydrophobicContact SD-CD2 4.13Å; M46-L79 PolarHBondContact N-O 3.22Å; M46-L80 HydrophobicContact CB-CD2 4.3Å; M46-L80 HydrophobicContact CG-CD2 4.48Å; M46-L80 WeakPolarHBondContact O-CA 3.25Å; M46-T81 PolarHBondContact O-N 3.32Å |
| 47 | S | 92.9 | Very high | 81.7 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 7% | 0.07 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 135.9 | 170.7 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L49 E50 F51 | S47-L49 PolarHBondContact O-N 2.59Å; S47-L49 PolarHBondContact OG-N 3.2Å; S47-E50 PolarHBondContact O-N 2.83Å; S47-F51 PolarHBondContact O-N 3.22Å |
| 48 | C | 93.1 | Very high | 83.8 | Confident | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.027 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.4 | 176.3 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | T81 L104 S107 Q111 | C48-T81 PolarHBondContact N-O 3.31Å; C48-L104 HydrophobicContact CB-CD2 3.5Å; C48-L104 VanDerWaalsContact CB-CD2 3.5Å; C48-S107 PolarHBondContact O-OG 3.3Å; C48-Q111 PolarHBondContact O-NE2 3.34Å |
| 49 | L | 92.2 | Very high | 86 | Confident | 129 Ų | 129 | 75.9 Ų | 75.9 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -21.9 | 175.8 | -61.3 | 176.7 | 0 | 0 | 0 | 113 | S47 Q111 | S47-L49 PolarHBondContact O-N 2.59Å; S47-L49 PolarHBondContact OG-N 3.2Å; L49-Q111 PolarHBondContact O-OE1 2.82Å |
| 50 | E | 91.6 | Very high | 88.3 | Confident | 130 Ų | 130 | 70.2 Ų | 70.2 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -10.8 | 178.8 | -65.6 | 171.3 | -172.2 | 0 | 0 | 111.9 | M46 S47 L52 | M46-E50 HydrophobicContact CG-CB 4.07Å; M46-E50 HydrophobicContact SD-CB 4.42Å; S47-E50 PolarHBondContact O-N 2.83Å; E50-L52 PolarHBondContact O-N 2.78Å |
| 51 | F | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | trans | -73.1 | 115.5 | -177 | 179.8 | -98.3 | 0 | 0 | 0 | 112.4 | L25 M46 S47 W53 T57 L78 L80 I108 Q111 | L25-F51 HydrophobicContact CD2-CE2 3.39Å; L25-F51 HydrophobicContact CD2-CZ 3.46Å; L25-F51 VanDerWaalsContact CD2-CZ 3.46Å; M46-F51 HydrophobicContact SD-CB 4.16Å; M46-F51 HydrophobicContact SD-CD2 4.19Å; S47-F51 PolarHBondContact O-N 3.22Å; F51-W53 HydrophobicContact CE1-CB 4.21Å; F51-T57 HydrophobicContact CZ-CG2 4.13Å; F51-L78 HydrophobicContact CD2-CD2 3.6Å; F51-L78 HydrophobicContact CE2-CD2 3.73Å; F51-L80 HydrophobicContact CB-CD2 3.83Å; F51-L80 HydrophobicContact CD2-CD1 4.44Å; F51-L80 HydrophobicContact CD2-CD2 3.8Å; F51-L80 HydrophobicContact CG-CD1 4.27Å; F51-L80 HydrophobicContact CG-CD2 3.93Å; F51-I108 HydrophobicContact CD1-CB 4.48Å; F51-I108 HydrophobicContact CD1-CD1 4.43Å; F51-I108 HydrophobicContact CD1-CG1 3.73Å; F51-I108 HydrophobicContact CD1-CG2 4.32Å; F51-I108 HydrophobicContact CE1-CG1 4.09Å; F51-I108 HydrophobicContact CE1-CG2 4.03Å; F51-Q111 PolarHBondContact O-OE1 2.88Å | ||
| 52 | L | 89.9 | Confident | 92 | Very high | 93 Ų | 93 | 66 Ų | 66 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | trans | -92.2 | 123.6 | 174.6 | -60 | 178.9 | 0 | 0 | 0 | 111.2 | E50 E54 | E50-L52 PolarHBondContact O-N 2.78Å; L52-E54 HydrophobicContact CB-CG 3.9Å; L52-E54 PolarHBondContact O-N 3.05Å; L52-E54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | W | 90.1 | Very high | 92.6 | Very high | 55 Ų | 55 | 61.9 Ų | 61.9 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | trans | -83.2 | 88.7 | 175.9 | -165.7 | 6.7 | 0 | 0 | 0 | 110.7 | F51 R55 I108 C109 R112 F115 | F51-W53 HydrophobicContact CE1-CB 4.21Å; W53-R55 PolarHBondContact NE1-O 3.28Å; W53-I108 HydrophobicContact CB-CG2 4.07Å; W53-I108 HydrophobicContact CD2-CG2 3.65Å; W53-I108 HydrophobicContact CE3-CG2 3.5Å; W53-I108 HydrophobicContact CG-CG2 3.93Å; W53-I108 HydrophobicContact CZ3-CG2 4.1Å; W53-C109 HydrophobicContact CZ3-CB 4.4Å; W53-R112 HydrophobicContact CD2-CG 4.48Å; W53-R112 HydrophobicContact CE3-CB 3.99Å; W53-R112 HydrophobicContact CE3-CG 3.93Å; W53-R112 HydrophobicContact CZ3-CG 4.35Å; W53-F115 HydrophobicContact CB-CE2 4.46Å; W53-F115 AromaticContact CD1-CE2 3.74Å; W53-F115 AromaticContact CD1-CZ 3.91Å; W53-F115 HydrophobicContact CD2-CE2 4.1Å; W53-F115 AromaticContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CZ 4.34Å; W53-F115 AromaticContact NE1-CE2 3.92Å; W53-F115 WeakPolarHBondContact O-CE2 3.44Å; W53-F115 WeakPolarHBondContact O-CZ 3.48Å | ||
| 54 | E | 90.1 | Very high | 92.3 | Very high | 144 Ų | 144 | 66 Ų | 66 | 67% | 0.673 | 34% | 0.336 | S | S | * | . | trans | -113.2 | -7.4 | -173.4 | -61.2 | -169.1 | 148.8 | 0 | 0 | 115.9 | L52 F115 | L52-E54 HydrophobicContact CB-CG 3.9Å; L52-E54 PolarHBondContact O-N 3.05Å; L52-E54 VanDerWaalsContact O-N 3.13Å; E54-F115 WeakPolarHBondContact O-CE1 3.49Å | ||
| 55 | R | 90.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -147.1 | 168.7 | 173.9 | 59.1 | -172.9 | 177.2 | 166.7 | 11.6 | 110.6 | L25 W53 T57 F115 | L25-R55 HydrophobicContact CB-CG 4.05Å; W53-R55 PolarHBondContact NE1-O 3.28Å; R55-T57 PolarHBondContact O-N 3.04Å; R55-T57 PolarHBondContact O-OG1 3.12Å; R55-T57 VanDerWaalsContact O-OG1 3.05Å; R55-F115 VanDerWaalsContact N-CZ 3.27Å |
| 56 | P | 94.7 | Very high | 91.3 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | trans | -51.8 | 129.4 | 172.7 | -26.9 | 36.2 | 0 | 0 | 0 | 110.8 | W24 L25 | W24-P56 CarbonylContact C-O 3.58Å; W24-P56 VanDerWaalsContact CA-O 3.32Å; W24-P56 WeakPolarHBondContact CA-O 3.28Å; W24-P56 HydrophobicContact CD2-CB 3.54Å; W24-P56 HydrophobicContact CE3-CB 3.67Å; W24-P56 HydrophobicContact CG-CB 4Å; W24-P56 HydrophobicContact CH2-CB 4.24Å; W24-P56 HydrophobicContact CZ2-CB 4.1Å; W24-P56 HydrophobicContact CZ3-CB 4.04Å; L25-P56 PolarHBondContact N-O 2.84Å | ||
| 57 | T | 94.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 14% | 0.135 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.9 | -171.6 | -61 | 0 | 0 | 0 | 0 | 110.3 | L25 A27 F51 R55 | L25-T57 HydrophobicContact CB-CG2 4.38Å; L25-T57 HydrophobicContact CD2-CG2 4.12Å; L25-T57 HydrophobicContact CG-CG2 4.31Å; L25-T57 CarbonylContact O-C 3.52Å; L25-T57 VanDerWaalsContact O-CA 3.29Å; L25-T57 WeakPolarHBondContact O-CA 3.23Å; A27-T57 HydrophobicContact CB-CG2 4.18Å; F51-T57 HydrophobicContact CZ-CG2 4.13Å; R55-T57 PolarHBondContact O-N 3.04Å; R55-T57 PolarHBondContact O-OG1 3.12Å; R55-T57 VanDerWaalsContact O-OG1 3.05Å |
| 58 | L | 96.8 | Very high | 91.2 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.6 | 164.3 | -69.5 | 176.5 | 0 | 0 | 0 | 108.4 | F15 L16 K19 W24 L25 V26 A27 | F15-L58 HydrophobicContact CE1-CD1 4.01Å; F15-L58 HydrophobicContact CE1-CD2 4.48Å; L16-L58 HydrophobicContact CD2-CD1 4.09Å; K19-L58 HydrophobicContact CB-CD1 3.41Å; K19-L58 VanDerWaalsContact CB-CD1 3.41Å; K19-L58 HydrophobicContact CD-CD1 4.48Å; K19-L58 HydrophobicContact CG-CD1 3.73Å; W24-L58 HydrophobicContact CE3-CD2 3.96Å; W24-L58 HydrophobicContact CE3-CG 3.79Å; W24-L58 HydrophobicContact CZ3-CD2 4.02Å; W24-L58 HydrophobicContact CZ3-CG 4.36Å; L25-L58 PolarHBondContact O-N 2.84Å; V26-L58 HydrophobicContact CG2-CD1 4.29Å; A27-L58 PolarHBondContact N-O 3.17Å |
| 59 | L | 96.7 | Very high | 91.2 | Very high | 45 Ų | 45 | 67.7 Ų | 67.7 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.8 | 171 | -178.2 | 66.1 | 0 | 0 | 0 | 108.8 | A27 T29 L61 L80 L104 L105 I108 | A27-L59 CarbonylContact O-C 3.57Å; A27-L59 WeakPolarHBondContact O-CA 3.29Å; T29-L59 HydrophobicContact CG2-CD1 4.01Å; L59-L61 HydrophobicContact CD2-CD2 4.48Å; L59-L80 HydrophobicContact CD1-CD1 3.99Å; L59-L104 HydrophobicContact CD2-CB 4.08Å; L59-L105 HydrophobicContact CD2-CD2 4.03Å; L59-L105 HydrophobicContact CD2-CG 4.39Å; L59-I108 HydrophobicContact CD1-CD1 4.17Å; L59-I108 HydrophobicContact CD2-CD1 4.05Å |
| 60 | V | 97.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 117 | -178.5 | -165 | 0 | 0 | 0 | 0 | 109.5 | L16 V26 A27 T29 L68 V72 | L16-V60 HydrophobicContact CD1-CG2 4.2Å; L16-V60 HydrophobicContact CD2-CG2 3.79Å; V26-V60 HydrophobicContact CG1-CG2 4Å; A27-V60 PolarHBondContact O-N 3.35Å; T29-V60 PolarHBondContact N-O 3.14Å; T29-V60 VanDerWaalsContact N-O 3.12Å; T29-V60 PolarHBondContact OG1-O 3.31Å; V60-L68 HydrophobicContact CB-CD2 4.35Å; V60-L68 HydrophobicContact CG1-CD2 3.66Å; V60-V72 HydrophobicContact CG1-CG1 3.8Å |
| 61 | L | 95.6 | Very high | 91.2 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 135.8 | 179.5 | -61.8 | 168.5 | 0 | 0 | 0 | 110.1 | T29 L59 V97 A101 L104 | T29-L61 HydrophobicContact CG2-CD2 3.77Å; L59-L61 HydrophobicContact CD2-CD2 4.48Å; L61-V97 HydrophobicContact CB-CG2 4.33Å; L61-A101 HydrophobicContact CD1-CB 3.57Å; L61-A101 HydrophobicContact CD2-CB 4.32Å; L61-L104 HydrophobicContact CD2-CD1 3.89Å |
| 62 | G | 91.4 | Very high | 91.3 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V97 | G62-V97 WeakPolarHBondContact O-CG2 3.42Š|
| 63 | N | 87.7 | Confident | 91.5 | Very high | 116 Ų | 116 | 67 Ų | 67 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -71.1 | 155.4 | 169.1 | -172.1 | 24.3 | 0 | 0 | 0 | 110.7 | G65 G67 | N63-G65 PolarHBondContact O-N 3.07Å; N63-G67 PolarHBondContact N-O 3.17Å; N63-G67 VanDerWaalsContact O-CA 3.31Å; N63-G67 WeakPolarHBondContact O-CA 3.07Å; N63-G67 PolarHBondContact O-N 3.2Å |
| 64 | E | 82.8 | Confident | 91.6 | Very high | 113 Ų | 113 | 68 Ų | 68 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 135.2 | 172.3 | -168.4 | 161 | -143.2 | 0 | 0 | 110.2 | S66 N96 | E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.25Å; E64-N96 PolarHBondContact OE1-ND2 2.9Å |
| 65 | G | 80 | Confident | 91.8 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 75% | 0.753 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -66.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N63 G67 | N63-G65 PolarHBondContact O-N 3.07Å; G65-G67 PolarHBondContact O-N 3.49Å |
| 66 | S | 84.4 | Confident | 92 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 63% | 0.629 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.7 | -173.4 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | E64 | E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.25Å |
| 67 | G | 90.9 | Very high | 92.1 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | 66 | -148.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N63 G65 | N63-G67 PolarHBondContact N-O 3.17Å; N63-G67 VanDerWaalsContact O-CA 3.31Å; N63-G67 WeakPolarHBondContact O-CA 3.07Å; N63-G67 PolarHBondContact O-N 3.2Å; G65-G67 PolarHBondContact O-N 3.49Å |
| 68 | L | 92.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -78.8 | 140.4 | 174.5 | -65.2 | 176.4 | 0 | 0 | 0 | 110.4 | T29 V60 V72 Q73 | T29-L68 WeakPolarHBondContact O-CD1 3.43Å; V60-L68 HydrophobicContact CB-CD2 4.35Å; V60-L68 HydrophobicContact CG1-CD2 3.66Å; L68-V72 HydrophobicContact CD2-CG1 3.91Å; L68-Q73 HydrophobicContact CB-CG 3.49Å; L68-Q73 VanDerWaalsContact CB-CG 3.49Å; L68-Q73 HydrophobicContact CD1-CG 4.14Å; L68-Q73 HydrophobicContact CG-CG 4.46Å; L68-Q73 PolarHBondContact O-NE2 2.68Å |
| 69 | S | 93.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -63.1 | 153.8 | 170.4 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | E71 V72 Q73 | S69-E71 PolarHBondContact O-N 3.4Å; S69-V72 PolarHBondContact O-N 3.28Å; S69-V72 VanDerWaalsContact O-N 3.14Å; S69-V72 VanDerWaalsContact OG-CG2 3.28Å; S69-V72 WeakPolarHBondContact OG-CG2 3.41Å; S69-V72 PolarHBondContact OG-N 3.03Å; S69-Q73 WeakPolarHBondContact O-CG 3.28Å; S69-Q73 PolarHBondContact O-N 2.85Å | ||
| 70 | Q | 90.9 | Very high | 92 | Very high | 169 Ų | 169 | 53.7 Ų | 53.7 | 79% | 0.79 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -56.8 | -37.1 | 179.3 | -71.4 | 180 | -14.5 | 0 | 0 | 112.7 | Q73 A74 | Q70-Q73 PolarHBondContact O-N 3.44Å; Q70-A74 VanDerWaalsContact O-CB 3.32Å; Q70-A74 WeakPolarHBondContact O-CB 3.18Å; Q70-A74 PolarHBondContact O-N 3.16Å |
| 71 | E | 92.9 | Very high | 91.8 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 177.9 | -170 | -171.5 | 162.5 | 0 | 0 | 112.4 | T13 S69 A74 S75 | T13-E71 WeakPolarHBondContact CB-OE1 3.19Å; T13-E71 HydrophobicContact CG2-CG 3.97Å; T13-E71 WeakPolarHBondContact CG2-OE1 3.37Å; T13-E71 VanDerWaalsContact OG1-CD 3.24Å; T13-E71 PolarHBondContact OG1-OE1 3.44Å; S69-E71 PolarHBondContact O-N 3.4Å; E71-A74 PolarHBondContact O-N 3.44Å; E71-S75 PolarHBondContact O-N 2.96Å; E71-S75 PolarHBondContact O-OG 3.49Å |
| 72 | V | 94.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.1 | -41.2 | 177 | 173 | 0 | 0 | 0 | 0 | 110.5 | L12 L16 V60 L68 S69 A74 S75 C76 | L12-V72 HydrophobicContact CD2-CG2 3.94Å; L16-V72 HydrophobicContact CD1-CG1 3.93Å; V60-V72 HydrophobicContact CG1-CG1 3.8Å; L68-V72 HydrophobicContact CD2-CG1 3.91Å; S69-V72 PolarHBondContact O-N 3.28Å; S69-V72 VanDerWaalsContact O-N 3.14Å; S69-V72 VanDerWaalsContact OG-CG2 3.28Å; S69-V72 WeakPolarHBondContact OG-CG2 3.41Å; S69-V72 PolarHBondContact OG-N 3.03Å; V72-A74 PolarHBondContact O-N 3.49Å; V72-S75 PolarHBondContact O-N 3.48Å; V72-S75 VanDerWaalsContact O-N 3.17Å; V72-C76 PolarHBondContact O-N 2.97Å; V72-C76 PolarHBondContact O-SG 3.41Å |
| 73 | Q | 93.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 173 | -69.6 | -174.1 | 27.7 | 0 | 0 | 110.3 | I43 L68 S69 Q70 S75 C76 | I43-Q73 WeakPolarHBondContact CD1-O 3.29Å; L68-Q73 HydrophobicContact CB-CG 3.49Å; L68-Q73 VanDerWaalsContact CB-CG 3.49Å; L68-Q73 HydrophobicContact CD1-CG 4.14Å; L68-Q73 HydrophobicContact CG-CG 4.46Å; L68-Q73 PolarHBondContact O-NE2 2.68Å; S69-Q73 WeakPolarHBondContact O-CG 3.28Å; S69-Q73 PolarHBondContact O-N 2.85Å; Q70-Q73 PolarHBondContact O-N 3.44Å; Q73-S75 PolarHBondContact O-N 2.89Å; Q73-S75 VanDerWaalsContact O-N 3.07Å; Q73-C76 WeakPolarHBondContact O-CA 3.32Å; Q73-C76 WeakPolarHBondContact O-CB 3.45Å; Q73-C76 PolarHBondContact O-N 3.2Å |
| 74 | A | 92.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 63% | 0.628 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.6 | -23.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q70 E71 V72 | Q70-A74 VanDerWaalsContact O-CB 3.32Å; Q70-A74 WeakPolarHBondContact O-CB 3.18Å; Q70-A74 PolarHBondContact O-N 3.16Å; E71-A74 PolarHBondContact O-N 3.44Å; V72-A74 PolarHBondContact O-N 3.49Å |
| 75 | S | 94.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.9 | 175.6 | -60 | 0 | 0 | 0 | 0 | 113.5 | T13 E71 V72 Q73 | T13-S75 WeakPolarHBondContact CG2-OG 3.46Å; E71-S75 PolarHBondContact O-N 2.96Å; E71-S75 PolarHBondContact O-OG 3.49Å; V72-S75 PolarHBondContact O-N 3.48Å; V72-S75 VanDerWaalsContact O-N 3.17Å; Q73-S75 PolarHBondContact O-N 2.89Å; Q73-S75 VanDerWaalsContact O-N 3.07Å |
| 76 | C | 96.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 5% | 0.054 | 34% | 0.338 | C | S | . | . | trans | -83.3 | 145.3 | 175.9 | -61.6 | 0 | 0 | 0 | 0 | 111 | V26 V72 Q73 L79 | V26-C76 HydrophobicContact CG1-CB 4.4Å; V72-C76 PolarHBondContact O-N 2.97Å; V72-C76 PolarHBondContact O-SG 3.41Å; Q73-C76 WeakPolarHBondContact O-CA 3.32Å; Q73-C76 WeakPolarHBondContact O-CB 3.45Å; Q73-C76 PolarHBondContact O-N 3.2Å; C76-L79 HydrophobicContact CB-CD2 4.01Å | ||
| 77 | Q | 96.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 70.6 Ų | 70.6 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -92.3 | -21.1 | 175.4 | -64.6 | 153 | 57.1 | 0 | 0 | 111.7 | A20 W24 L25 V26 | A20-Q77 VanDerWaalsContact CB-NE2 3.32Å; W24-Q77 PolarHBondContact O-NE2 3.34Å; L25-Q77 HydrophobicContact CD1-CB 4.02Å; V26-Q77 PolarHBondContact O-N 3.48Å |
| 78 | L | 94.8 | Very high | 91.4 | Very high | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 146.4 | -178.3 | -178.5 | 71.4 | 0 | 0 | 0 | 108.7 | V26 A27 G28 P44 M46 F51 L80 | V26-L78 PolarHBondContact O-N 2.88Å; A27-L78 CarbonylContact C-O 3.55Å; A27-L78 WeakPolarHBondContact CA-O 3.2Å; G28-L78 PolarHBondContact N-O 2.98Å; P44-L78 HydrophobicContact CB-CD1 4.15Å; P44-L78 HydrophobicContact CG-CD1 3.91Å; P44-L78 WeakPolarHBondContact O-CD1 3.2Å; M46-L78 HydrophobicContact CB-CD1 3.82Å; M46-L78 HydrophobicContact CB-CD2 4.44Å; M46-L78 HydrophobicContact CB-CG 4.43Å; M46-L78 HydrophobicContact SD-CD2 4.13Å; F51-L78 HydrophobicContact CD2-CD2 3.6Å; F51-L78 HydrophobicContact CE2-CD2 3.73Å; L78-L80 HydrophobicContact CD2-CD2 3.79Å; L78-L80 HydrophobicContact CD2-CG 4.45Å; L78-L80 HydrophobicContact CG-CD2 4.35Å |
| 79 | L | 95.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.3 | 169.7 | -60.3 | 173.7 | 0 | 0 | 0 | 109.6 | G28 V30 I43 P44 I45 M46 C76 | G28-L79 CarbonylContact O-C 3.51Å; G28-L79 WeakPolarHBondContact O-CA 3.36Å; V30-L79 HydrophobicContact CG1-CB 4.16Å; V30-L79 HydrophobicContact CG1-CD1 3.83Å; V30-L79 HydrophobicContact CG1-CD2 4.14Å; V30-L79 HydrophobicContact CG1-CG 4.24Å; V30-L79 HydrophobicContact CG2-CB 3.99Å; I43-L79 HydrophobicContact CB-CD1 4.18Å; I43-L79 HydrophobicContact CB-CG 4.27Å; I43-L79 HydrophobicContact CG2-CD1 4.24Å; I43-L79 HydrophobicContact CG2-CG 3.78Å; P44-L79 PolarHBondContact O-N 3.5Å; I45-L79 CarbonylContact C-O 3.55Å; I45-L79 VanDerWaalsContact CA-O 3.32Å; I45-L79 WeakPolarHBondContact CA-O 3.15Å; I45-L79 HydrophobicContact CG1-CB 4.12Å; I45-L79 HydrophobicContact CG1-CD1 4.3Å; M46-L79 PolarHBondContact N-O 3.22Å; C76-L79 HydrophobicContact CB-CD2 4.01Å |
| 80 | L | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.8 | 176.9 | -65.1 | 179 | 0 | 0 | 0 | 110.4 | A27 G28 T29 V30 M46 F51 L59 L78 L104 I108 | A27-L80 HydrophobicContact CB-CD1 4.13Å; A27-L80 HydrophobicContact CB-CG 4.35Å; G28-L80 PolarHBondContact O-N 2.9Å; T29-L80 WeakPolarHBondContact CA-O 3.47Å; V30-L80 PolarHBondContact N-O 3.03Å; M46-L80 HydrophobicContact CB-CD2 4.3Å; M46-L80 HydrophobicContact CG-CD2 4.48Å; M46-L80 WeakPolarHBondContact O-CA 3.25Å; F51-L80 HydrophobicContact CB-CD2 3.83Å; F51-L80 HydrophobicContact CD2-CD1 4.44Å; F51-L80 HydrophobicContact CD2-CD2 3.8Å; F51-L80 HydrophobicContact CG-CD1 4.27Å; F51-L80 HydrophobicContact CG-CD2 3.93Å; L59-L80 HydrophobicContact CD1-CD1 3.99Å; L78-L80 HydrophobicContact CD2-CD2 3.79Å; L78-L80 HydrophobicContact CD2-CG 4.45Å; L78-L80 HydrophobicContact CG-CD2 4.35Å; L80-L104 HydrophobicContact CB-CD2 4.15Å; L80-L104 HydrophobicContact CD1-CD2 4.46Å; L80-I108 HydrophobicContact CD1-CD1 4.07Å |
| 81 | T | 93.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.5 | 174.5 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | V30 G31 I45 M46 C48 L83 | V30-T81 PolarHBondContact O-OG1 3.24Å; G31-T81 PolarHBondContact O-OG1 3.45Å; I45-T81 HydrophobicContact CG2-CG2 3.77Å; M46-T81 PolarHBondContact O-N 3.32Å; C48-T81 PolarHBondContact N-O 3.31Å; T81-L83 HydrophobicContact CG2-CD2 3.8Å; T81-L83 HydrophobicContact CG2-CG 4.16Å |
| 82 | I | 93 | Very high | 88.7 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | trans | -97.4 | 104.5 | 170.3 | -59.5 | 168.2 | 0 | 0 | 0 | 106.4 | L95 A100 I103 L104 | I82-L95 HydrophobicContact CD1-CD1 4.08Å; I82-L95 HydrophobicContact CG2-CD1 4.33Å; I82-A100 HydrophobicContact CD1-CB 3.95Å; I82-I103 HydrophobicContact CD1-CB 3.88Å; I82-I103 HydrophobicContact CD1-CD1 4.13Å; I82-I103 HydrophobicContact CD1-CG2 3.81Å; I82-I103 HydrophobicContact CG1-CG2 4.09Å; I82-I103 HydrophobicContact CG2-CG2 4.25Å; I82-L104 HydrophobicContact CD1-CG 4.18Å; I82-L104 HydrophobicContact CG1-CD2 4.19Å; I82-L104 HydrophobicContact CG1-CG 4.29Å | ||
| 83 | L | 90.4 | Very high | 88 | Confident | 94 Ų | 94 | 79.8 Ų | 79.8 | 49% | 0.492 | 42% | 0.421 | S | S | . | . | trans | -72 | 129.7 | 179.4 | -66.4 | 178.9 | 0 | 0 | 0 | 110.7 | T81 | T81-L83 HydrophobicContact CG2-CD2 3.8Å; T81-L83 HydrophobicContact CG2-CG 4.16Å | ||
| 84 | P | 88.2 | Confident | 87.5 | Confident | 48 Ų | 48 | 81 Ų | 81 | 31% | 0.312 | 43% | 0.434 | S | S | . | . | trans | -72.5 | 142.3 | 174.9 | 34.2 | -37.2 | 0 | 0 | 0 | 109.5 | C32 R86 L88 | C32-P84 VanDerWaalsContact SG-CD 3.56Å; P84-R86 WeakPolarHBondContact CB-O 3.45Å; P84-R86 PolarHBondContact O-N 2.9Å; P84-L88 HydrophobicContact CB-CD1 4.14Å; P84-L88 HydrophobicContact CB-CD2 3.92Å; P84-L88 HydrophobicContact CB-CG 3.82Å; P84-L88 HydrophobicContact CG-CD1 3.87Å; P84-L88 HydrophobicContact CG-CD2 4.49Å; P84-L88 HydrophobicContact CG-CG 3.86Å | ||
| 85 | R | 85.9 | Confident | 87.3 | Confident | 249 Ų | 249 | 81.4 Ų | 81.4 | 94% | 0.94 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -71.8 | -17 | 178.2 | -167.8 | 178.9 | -120.3 | 161.7 | 0.1 | 113.1 | ||
| 86 | R | 85.1 | Confident | 87.2 | Confident | 212 Ų | 212 | 83.5 Ų | 83.5 | 80% | 0.8 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -136.3 | 162.3 | -179.1 | -60.6 | -179.9 | -176.8 | 161.7 | 0.4 | 107.8 | P84 L88 | P84-R86 WeakPolarHBondContact CB-O 3.45Å; P84-R86 PolarHBondContact O-N 2.9Å; R86-L88 PolarHBondContact O-N 3.02Å |
| 87 | Q | 81.4 | Confident | 87 | Confident | 193 Ų | 193 | 85.7 Ų | 85.7 | 90% | 0.902 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.5 | 169.9 | -75.5 | 179.9 | 10.6 | 0 | 0 | 109.9 | ||
| 88 | L | 80.6 | Confident | 86.9 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 139.1 | 175.7 | -69 | 165 | 0 | 0 | 0 | 108.8 | C32 P84 R86 L92 | C32-L88 HydrophobicContact CB-CD1 4.02Å; P84-L88 HydrophobicContact CB-CD1 4.14Å; P84-L88 HydrophobicContact CB-CD2 3.92Å; P84-L88 HydrophobicContact CB-CG 3.82Å; P84-L88 HydrophobicContact CG-CD1 3.87Å; P84-L88 HydrophobicContact CG-CD2 4.49Å; P84-L88 HydrophobicContact CG-CG 3.86Å; R86-L88 PolarHBondContact O-N 3.02Å; L88-L92 WeakPolarHBondContact CB-O 3.23Å; L88-L92 WeakPolarHBondContact CD1-O 3.37Å; L88-L92 HydrophobicContact CD2-CD2 3.77Å; L88-L92 HydrophobicContact CD2-CG 4.15Å |
| 89 | P | 81.1 | Confident | 86.9 | Confident | 82 Ų | 82 | 89 Ų | 89 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -56 | 149.1 | 169.7 | -22.8 | 33.1 | 0 | 0 | 0 | 111 | G91 L92 | P89-G91 PolarHBondContact O-N 2.98Å; P89-L92 PolarHBondContact O-N 3.18Å |
| 90 | P | 78.3 | Confident | 86.9 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 92% | 0.916 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 131 | 172.7 | -23.5 | 32.7 | 0 | 0 | 0 | 110.9 | ||
| 91 | G | 75.5 | Confident | 86.9 | Confident | 77 Ų | 77 | 90.4 Ų | 90.4 | 79% | 0.794 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -0.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P89 | P89-G91 PolarHBondContact O-N 2.98Š|
| 92 | L | 78.3 | Confident | 87 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | trans | -102.1 | 95.7 | 167.7 | -175.1 | 64.4 | 0 | 0 | 0 | 110.1 | L88 P89 | L88-L92 WeakPolarHBondContact CB-O 3.23Å; L88-L92 WeakPolarHBondContact CD1-O 3.37Å; L88-L92 HydrophobicContact CD2-CD2 3.77Å; L88-L92 HydrophobicContact CD2-CG 4.15Å; P89-L92 PolarHBondContact O-N 3.18Å | ||
| 93 | E | 77.8 | Confident | 87.1 | Confident | 147 Ų | 147 | 93.1 Ų | 93.1 | 69% | 0.687 | 51% | 0.513 | S | S | * | . | trans | -100.6 | -24.2 | -172.4 | -62.8 | -178.5 | 176.1 | 0 | 0 | 113.3 | ||||
| 94 | S | 84.2 | Confident | 87.3 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | trans | -152.4 | 166.2 | -176 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 95 | L | 87.8 | Confident | 87.6 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 45% | 0.445 | 50% | 0.498 | S | S | . | . | trans | -90.8 | 158.3 | 168.3 | -62.4 | 173.9 | 0 | 0 | 0 | 109.4 | I82 V97 V99 A100 I103 | I82-L95 HydrophobicContact CD1-CD1 4.08Å; I82-L95 HydrophobicContact CG2-CD1 4.33Å; L95-V97 PolarHBondContact O-N 3.42Å; L95-V99 HydrophobicContact CD1-CG1 4.46Å; L95-A100 HydrophobicContact CB-CB 4.46Å; L95-I103 HydrophobicContact CD1-CD1 3.74Å | ||
| 96 | N | 92.1 | Very high | 87.9 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 32% | 0.316 | 48% | 0.483 | S | S | . | . | trans | -54 | 139.7 | 167.4 | 176.8 | -94 | 0 | 0 | 0 | 110.8 | E64 S98 V99 A100 | E64-N96 PolarHBondContact OE1-ND2 2.9Å; N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.29Å; N96-S98 WeakPolarHBondContact OD1-CB 3.15Å; N96-S98 PolarHBondContact OD1-N 3.02Å; N96-S98 PolarHBondContact OD1-OG 3.49Å; N96-V99 HydrophobicContact CB-CB 4.42Å; N96-V99 HydrophobicContact CB-CG2 4.09Å; N96-V99 WeakPolarHBondContact O-CB 3.36Å; N96-V99 PolarHBondContact O-N 2.87Å; N96-A100 PolarHBondContact O-N 3.45Å | ||
| 97 | V | 93.2 | Very high | 88.3 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 33% | 0.327 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56.5 | -37.1 | -174.8 | 66.1 | 0 | 0 | 0 | 0 | 113 | L61 G62 L95 A100 A101 | L61-V97 HydrophobicContact CB-CG2 4.33Å; G62-V97 WeakPolarHBondContact O-CG2 3.42Å; L95-V97 PolarHBondContact O-N 3.42Å; V97-A100 PolarHBondContact O-N 2.89Å; V97-A101 VanDerWaalsContact O-CB 3.28Å; V97-A101 WeakPolarHBondContact O-CB 3.43Å; V97-A101 PolarHBondContact O-N 2.88Å |
| 98 | S | 93.7 | Very high | 88.7 | Confident | 83 Ų | 83 | 67 Ų | 67 | 58% | 0.58 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.5 | -37.6 | 178.7 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | N96 G102 | N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.29Å; N96-S98 WeakPolarHBondContact OD1-CB 3.15Å; N96-S98 PolarHBondContact OD1-N 3.02Å; N96-S98 PolarHBondContact OD1-OG 3.49Å; S98-G102 PolarHBondContact O-N 3.4Å |
| 99 | V | 94.7 | Very high | 89.1 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | L95 N96 A101 G102 I103 | L95-V99 HydrophobicContact CD1-CG1 4.46Å; N96-V99 HydrophobicContact CB-CB 4.42Å; N96-V99 HydrophobicContact CB-CG2 4.09Å; N96-V99 WeakPolarHBondContact O-CB 3.36Å; N96-V99 PolarHBondContact O-N 2.87Å; V99-A101 PolarHBondContact O-N 2.87Å; V99-G102 PolarHBondContact O-N 3.31Å; V99-I103 HydrophobicContact CG1-CD1 3.94Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.06Å |
| 100 | A | 94.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I82 L95 N96 V97 G102 I103 L104 | I82-A100 HydrophobicContact CD1-CB 3.95Å; L95-A100 HydrophobicContact CB-CB 4.46Å; N96-A100 PolarHBondContact O-N 3.45Å; V97-A100 PolarHBondContact O-N 2.89Å; A100-G102 VanDerWaalsContact C-N 3.34Å; A100-G102 PolarHBondContact O-N 3.13Å; A100-I103 PolarHBondContact O-N 3.49Å; A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 WeakPolarHBondContact O-CD1 3.46Å; A100-L104 VanDerWaalsContact O-CG 3.23Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.47Å |
| 101 | A | 95.2 | Very high | 89.3 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L61 V97 V99 I103 L104 L105 | L61-A101 HydrophobicContact CD1-CB 3.57Å; L61-A101 HydrophobicContact CD2-CB 4.32Å; V97-A101 VanDerWaalsContact O-CB 3.28Å; V97-A101 WeakPolarHBondContact O-CB 3.43Å; V97-A101 PolarHBondContact O-N 2.88Å; V99-A101 PolarHBondContact O-N 2.87Å; A101-I103 PolarHBondContact O-N 3.49Å; A101-L104 PolarHBondContact O-N 2.95Å; A101-L105 VanDerWaalsContact O-CB 3.29Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 VanDerWaalsContact O-CG 3.23Å; A101-L105 WeakPolarHBondContact O-CG 3.36Å; A101-L105 PolarHBondContact O-N 2.88Å |
| 102 | G | 95.4 | Very high | 89.1 | Confident | 41 Ų | 41 | 66 Ų | 66 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S98 V99 A100 H106 | S98-G102 PolarHBondContact O-N 3.4Å; V99-G102 PolarHBondContact O-N 3.31Å; A100-G102 VanDerWaalsContact C-N 3.34Å; A100-G102 PolarHBondContact O-N 3.13Å; G102-H106 WeakPolarHBondContact O-CB 3.3Å; G102-H106 PolarHBondContact O-N 2.9Å |
| 103 | I | 95.4 | Very high | 88.3 | Confident | 65 Ų | 65 | 70 Ų | 70 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 178 | -66.8 | 165.2 | 0 | 0 | 0 | 110.9 | I82 L95 V99 A100 A101 H106 S107 | I82-I103 HydrophobicContact CD1-CB 3.88Å; I82-I103 HydrophobicContact CD1-CD1 4.13Å; I82-I103 HydrophobicContact CD1-CG2 3.81Å; I82-I103 HydrophobicContact CG1-CG2 4.09Å; I82-I103 HydrophobicContact CG2-CG2 4.25Å; L95-I103 HydrophobicContact CD1-CD1 3.74Å; V99-I103 HydrophobicContact CG1-CD1 3.94Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.06Å; A100-I103 PolarHBondContact O-N 3.49Å; A101-I103 PolarHBondContact O-N 3.49Å; I103-H106 PolarHBondContact O-N 2.89Å; I103-S107 WeakPolarHBondContact O-CB 3.36Å; I103-S107 PolarHBondContact O-N 3.44Å |
| 104 | L | 95.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -51.7 | -178.9 | -73 | 164.7 | 0 | 0 | 0 | 111.2 | T29 C48 L59 L61 L80 I82 A100 A101 H106 S107 I108 | T29-L104 HydrophobicContact CG2-CD1 3.38Å; C48-L104 HydrophobicContact CB-CD2 3.5Å; C48-L104 VanDerWaalsContact CB-CD2 3.5Å; L59-L104 HydrophobicContact CD2-CB 4.08Å; L61-L104 HydrophobicContact CD2-CD1 3.89Å; L80-L104 HydrophobicContact CB-CD2 4.15Å; L80-L104 HydrophobicContact CD1-CD2 4.46Å; I82-L104 HydrophobicContact CD1-CG 4.18Å; I82-L104 HydrophobicContact CG1-CD2 4.19Å; I82-L104 HydrophobicContact CG1-CG 4.29Å; A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 WeakPolarHBondContact O-CD1 3.46Å; A100-L104 VanDerWaalsContact O-CG 3.23Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.47Å; A101-L104 PolarHBondContact O-N 2.95Å; L104-H106 VanDerWaalsContact C-N 3.32Å; L104-H106 PolarHBondContact O-N 3.23Å; L104-S107 PolarHBondContact O-N 2.87Å; L104-I108 HydrophobicContact CB-CD1 4.47Å; L104-I108 WeakPolarHBondContact O-CB 2.88Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.75Å |
| 105 | L | 94 | Very high | 85.8 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 178.7 | -70.9 | 172 | 0 | 0 | 0 | 111 | L59 A101 S107 I108 C109 | L59-L105 HydrophobicContact CD2-CD2 4.03Å; L59-L105 HydrophobicContact CD2-CG 4.39Å; A101-L105 VanDerWaalsContact O-CB 3.29Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 VanDerWaalsContact O-CG 3.23Å; A101-L105 WeakPolarHBondContact O-CG 3.36Å; A101-L105 PolarHBondContact O-N 2.88Å; L105-S107 PolarHBondContact O-N 3.03Å; L105-I108 PolarHBondContact O-N 3.47Å; L105-C109 WeakPolarHBondContact O-CB 3.35Å; L105-C109 PolarHBondContact O-N 2.72Å; L105-C109 PolarHBondContact O-SG 3.37Å |
| 106 | H | 93.9 | Very high | 84.1 | Confident | 135 Ų | 135 | 65.1 Ų | 65.1 | 63% | 0.625 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 176.1 | -178.2 | 69.1 | 0 | 0 | 0 | 112 | G102 I103 L104 S110 | G102-H106 WeakPolarHBondContact O-CB 3.3Å; G102-H106 PolarHBondContact O-N 2.9Å; I103-H106 PolarHBondContact O-N 2.89Å; L104-H106 VanDerWaalsContact C-N 3.32Å; L104-H106 PolarHBondContact O-N 3.23Å; H106-S110 PolarHBondContact CE1-OG 2.87Å; H106-S110 WeakPolarHBondContact O-CB 3.32Å; H106-S110 PolarHBondContact O-N 3.02Å; H106-S110 PolarHBondContact O-OG 3.44Å |
| 107 | S | 92.5 | Very high | 82.2 | Confident | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 179.5 | -168 | 0 | 0 | 0 | 0 | 111.8 | C48 I103 L104 L105 Q111 | C48-S107 PolarHBondContact O-OG 3.3Å; I103-S107 WeakPolarHBondContact O-CB 3.36Å; I103-S107 PolarHBondContact O-N 3.44Å; L104-S107 PolarHBondContact O-N 2.87Å; L105-S107 PolarHBondContact O-N 3.03Å; S107-Q111 VanDerWaalsContact O-CG 3.3Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å; S107-Q111 PolarHBondContact O-N 3.4Å; S107-Q111 PolarHBondContact O-NE2 3.24Å; S107-Q111 PolarHBondContact OG-NE2 3.31Å |
| 108 | I | 90 | Very high | 80.3 | Confident | 9 Ų | 9 | 72.4 Ų | 72.4 | 5% | 0.046 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.4 | -48.5 | -178.6 | -66.4 | 166 | 0 | 0 | 0 | 110.4 | F51 W53 L59 L80 L104 L105 S110 Q111 | F51-I108 HydrophobicContact CD1-CB 4.48Å; F51-I108 HydrophobicContact CD1-CD1 4.43Å; F51-I108 HydrophobicContact CD1-CG1 3.73Å; F51-I108 HydrophobicContact CD1-CG2 4.32Å; F51-I108 HydrophobicContact CE1-CG1 4.09Å; F51-I108 HydrophobicContact CE1-CG2 4.03Å; W53-I108 HydrophobicContact CB-CG2 4.07Å; W53-I108 HydrophobicContact CD2-CG2 3.65Å; W53-I108 HydrophobicContact CE3-CG2 3.5Å; W53-I108 HydrophobicContact CG-CG2 3.93Å; W53-I108 HydrophobicContact CZ3-CG2 4.1Å; L59-I108 HydrophobicContact CD1-CD1 4.17Å; L59-I108 HydrophobicContact CD2-CD1 4.05Å; L80-I108 HydrophobicContact CD1-CD1 4.07Å; L104-I108 HydrophobicContact CB-CD1 4.47Å; L104-I108 WeakPolarHBondContact O-CB 2.88Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.75Å; L105-I108 PolarHBondContact O-N 3.47Å; I108-S110 PolarHBondContact O-N 2.92Å; I108-Q111 PolarHBondContact O-N 2.99Å |
| 109 | C | 88.7 | Confident | 78.2 | Confident | 63 Ų | 63 | 71 Ų | 71 | 43% | 0.426 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.6 | -35.3 | -178.4 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | W53 L105 Q111 R112 | W53-C109 HydrophobicContact CZ3-CB 4.4Å; L105-C109 WeakPolarHBondContact O-CB 3.35Å; L105-C109 PolarHBondContact O-N 2.72Å; L105-C109 PolarHBondContact O-SG 3.37Å; C109-Q111 PolarHBondContact O-N 2.93Å; C109-R112 VanDerWaalsContact O-CB 3.25Å; C109-R112 WeakPolarHBondContact O-CB 3.48Å; C109-R112 PolarHBondContact O-N 3.05Å |
| 110 | S | 86.7 | Confident | 76 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 57% | 0.573 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.1 | -20.2 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | H106 I108 | H106-S110 PolarHBondContact CE1-OG 2.87Å; H106-S110 WeakPolarHBondContact O-CB 3.32Å; H106-S110 PolarHBondContact O-N 3.02Å; H106-S110 PolarHBondContact O-OG 3.44Å; I108-S110 PolarHBondContact O-N 2.92Å |
| 111 | Q | 77.8 | Confident | 74 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.1 | 178.2 | -66 | 178.1 | 64.7 | 0 | 0 | 113 | C48 L49 F51 S107 I108 C109 K113 | C48-Q111 PolarHBondContact O-NE2 3.34Å; L49-Q111 PolarHBondContact O-OE1 2.82Å; F51-Q111 PolarHBondContact O-OE1 2.88Å; S107-Q111 VanDerWaalsContact O-CG 3.3Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å; S107-Q111 PolarHBondContact O-N 3.4Å; S107-Q111 PolarHBondContact O-NE2 3.24Å; S107-Q111 PolarHBondContact OG-NE2 3.31Å; I108-Q111 PolarHBondContact O-N 2.99Å; C109-Q111 PolarHBondContact O-N 2.93Å; Q111-K113 PolarHBondContact O-N 2.94Å |
| 112 | R | 71.3 | Confident | 71.7 | Confident | 149 Ų | 149 | 87.2 Ų | 87.2 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | trans | -67.2 | 105.6 | -175.9 | -165.3 | 173 | 78.5 | 170.2 | 3.8 | 111 | W53 C109 F115 | W53-R112 HydrophobicContact CD2-CG 4.48Å; W53-R112 HydrophobicContact CE3-CB 3.99Å; W53-R112 HydrophobicContact CE3-CG 3.93Å; W53-R112 HydrophobicContact CZ3-CG 4.35Å; C109-R112 VanDerWaalsContact O-CB 3.25Å; C109-R112 WeakPolarHBondContact O-CB 3.48Å; C109-R112 PolarHBondContact O-N 3.05Å; R112-F115 HydrophobicContact CG-CD2 3.97Å; R112-F115 HydrophobicContact CG-CE2 4.17Å | ||
| 113 | K | 60.6 | Low | 69.3 | Low | 169 Ų | 169 | 92.4 Ų | 92.4 | 74% | 0.735 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 125.3 | 156.9 | -66.4 | 177.1 | -177.1 | 171.1 | 0 | 106.3 | Q111 F115 | Q111-K113 PolarHBondContact O-N 2.94Å; K113-F115 PolarHBondContact O-N 3.44Å |
| 114 | G | 55.5 | Low | 67 | Low | 72 Ų | 72 | 96.4 Ų | 96.4 | 74% | 0.742 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -47.4 | 123.5 | -166 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 115 | F | 55.1 | Low | 64.9 | Low | 62 Ų | 62 | 103.7 Ų | 103.7 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -83 | 139.2 | 166.2 | -72.7 | -80.2 | 0 | 0 | 0 | 109.4 | W53 E54 R55 R112 K113 T117 | W53-F115 HydrophobicContact CB-CE2 4.46Å; W53-F115 AromaticContact CD1-CE2 3.74Å; W53-F115 AromaticContact CD1-CZ 3.91Å; W53-F115 HydrophobicContact CD2-CE2 4.1Å; W53-F115 AromaticContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CE2 3.85Å; W53-F115 HydrophobicContact CG-CZ 4.34Å; W53-F115 AromaticContact NE1-CE2 3.92Å; W53-F115 WeakPolarHBondContact O-CE2 3.44Å; W53-F115 WeakPolarHBondContact O-CZ 3.48Å; E54-F115 WeakPolarHBondContact O-CE1 3.49Å; R55-F115 VanDerWaalsContact N-CZ 3.27Å; R112-F115 HydrophobicContact CG-CD2 3.97Å; R112-F115 HydrophobicContact CG-CE2 4.17Å; K113-F115 PolarHBondContact O-N 3.44Å; F115-T117 PolarHBondContact O-N 2.65Å; F115-T117 VanDerWaalsContact O-N 3.17Å |
| 116 | P | 50.9 | Low | 62.6 | Low | 64 Ų | 64 | 105.9 Ų | 105.9 | 42% | 0.416 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 122.3 | 166.3 | 25 | -29.3 | 0 | 0 | 0 | 108.5 | E120 | P116-E120 WeakPolarHBondContact CA-OE2 3.35Å; P116-E120 HydrophobicContact CB-CB 3.93Å; P116-E120 WeakPolarHBondContact CB-OE2 3.33Å |
| 117 | T | 52.2 | Low | 60.1 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 159.8 | 178.4 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | F115 G119 E120 R121 | F115-T117 PolarHBondContact O-N 2.65Å; F115-T117 VanDerWaalsContact O-N 3.17Å; T117-G119 PolarHBondContact O-N 3.05Å; T117-E120 PolarHBondContact N-OE2 2.94Å; T117-E120 PolarHBondContact O-N 2.86Å; T117-R121 PolarHBondContact O-N 3.13Å |
| 118 | E | 54.1 | Low | 57.7 | Low | 167 Ų | 167 | 110.8 Ų | 110.8 | 78% | 0.78 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -53.9 | -19.3 | 178.9 | -88.5 | -176.9 | 145 | 0 | 0 | 113.9 | R122 | E118-R122 PolarHBondContact O-N 2.83Å |
| 119 | G | 49.7 | Very low | 55.5 | Low | 54 Ų | 54 | 118 Ų | 118 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.3 | -36.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T117 | T117-G119 PolarHBondContact O-N 3.05Å |
| 120 | E | 48.7 | Very low | 53 | Low | 105 Ų | 105 | 122.9 Ų | 122.9 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -82.2 | -28.8 | 179.1 | -73.4 | 164.7 | 124.8 | 0 | 0 | 112.3 | P116 T117 R122 Q123 L124 | P116-E120 WeakPolarHBondContact CA-OE2 3.35Å; P116-E120 HydrophobicContact CB-CB 3.93Å; P116-E120 WeakPolarHBondContact CB-OE2 3.33Å; T117-E120 PolarHBondContact N-OE2 2.94Å; T117-E120 PolarHBondContact O-N 2.86Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 2.89Å; E120-Q123 WeakPolarHBondContact O-CB 3.41Å; E120-Q123 PolarHBondContact O-N 2.91Å; E120-Q123 VanDerWaalsContact O-N 3.12Å; E120-L124 PolarHBondContact O-N 3.34Å |
| 121 | R | 50.8 | Low | 50.8 | Low | 148 Ų | 148 | 124 Ų | 124 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.8 | -31.3 | 172.9 | -87.2 | -171.6 | 157.7 | 89.3 | -0.9 | 113 | T117 Q123 | T117-R121 PolarHBondContact O-N 3.13Å; R121-Q123 VanDerWaalsContact C-N 3.31Å |
| 122 | R | 48.4 | Very low | 48.9 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 73% | 0.725 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.4 | -23.2 | 173.2 | -72.1 | -172.2 | 178.6 | -175.1 | 1.5 | 113.2 | E118 E120 Q126 | E118-R122 PolarHBondContact O-N 2.83Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 2.89Å; R122-Q126 PolarHBondContact O-NE2 3.32Å |
| 123 | Q | 44.7 | Very low | 47.2 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.6 | -31.9 | 177.3 | -156.5 | 75.8 | 42.9 | 0 | 0 | 112 | E120 R121 | E120-Q123 WeakPolarHBondContact O-CB 3.41Å; E120-Q123 PolarHBondContact O-N 2.91Å; E120-Q123 VanDerWaalsContact O-N 3.12Å; R121-Q123 VanDerWaalsContact C-N 3.31Å |
| 124 | L | 46.9 | Very low | 46 | Very low | 150 Ų | 150 | 128 Ų | 128 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -12.8 | 179.9 | -93.4 | 157.7 | 0 | 0 | 0 | 115.1 | E120 | E120-L124 PolarHBondContact O-N 3.34Š|
| 125 | L | 50.8 | Low | 45.2 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 81% | 0.812 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 4.3 | 178.3 | -73.5 | 165.7 | 0 | 0 | 0 | 113.4 | ||
| 126 | Q | 45.8 | Very low | 44.5 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -112.3 | 73.8 | 174.3 | -69.5 | -179.8 | 49.6 | 0 | 0 | 110 | R122 | R122-Q126 PolarHBondContact O-NE2 3.32Š| ||
| 127 | D | 41.6 | Very low | 43.6 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -144.9 | 82.8 | 151.1 | -136.4 | -6.3 | 0 | 0 | 0 | 111 | ||||
| 128 | P | 40.6 | Very low | 42.7 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -90.2 | 82.7 | 146.8 | 24.3 | -8.9 | 0 | 0 | 0 | 107.5 | E130 | P128-E130 PolarHBondContact O-N 3.3Š| ||
| 129 | Q | 45.5 | Very low | 41.8 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -72.2 | 113.8 | 156.3 | -90.8 | -147.7 | -97.2 | 0 | 0 | 108.2 | ||||
| 130 | E | 36 | Very low | 41 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 162.1 | 151.6 | 136.8 | -82.6 | -88.4 | 122.3 | 0 | 0 | 108.1 | P128 | P128-E130 PolarHBondContact O-N 3.3Š| ||
| 131 | P | 40.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -133 | 145.5 | 9.2 | 34.8 | -15.6 | 0 | 0 | 0 | 114.1 | A133 | P131-A133 PolarHBondContact O-N 3.33Š| ||
| 132 | S | 37 | Very low | 39.6 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -87.7 | 99.6 | 165.4 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | R134 | S132-R134 PolarHBondContact O-N 3.17Š| ||
| 133 | A | 36.8 | Very low | 38.9 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -58.8 | 123.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | P131 | P131-A133 PolarHBondContact O-N 3.33Š| ||
| 134 | R | 34.5 | Very low | 39 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -131.4 | 111.4 | 153.3 | -146.7 | 174.6 | -173.9 | -177.2 | 0.1 | 109 | S132 | S132-R134 PolarHBondContact O-N 3.17Š| ||
| 135 | S | 39 | Very low | 38.3 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -62.5 | 132.1 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 136 | E | 40.2 | Very low | 37.5 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -168.4 | 121.9 | 146.4 | -106 | 162 | -160.1 | 0 | 0 | 110.4 | ||||
| 137 | G | 32.2 | Very low | 36.9 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 99.4 | 87.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 138 | L | 32.6 | Very low | 36.7 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | -62.3 | 132.2 | 153 | -76.5 | 125 | 0 | 0 | 0 | 110.8 | ||||
| 139 | S | 35.2 | Very low | 36.2 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -173.1 | 110.9 | 130.3 | -173.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 140 | M | 32.5 | Very low | 36.3 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | 24.1 | 130 | 138.5 | -60.6 | -63.8 | -134.2 | 0 | 0 | 121.8 | ||||
| 141 | A | 34.9 | Very low | 36.6 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -55.5 | 141.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 142 | Q | 35.4 | Very low | 36.7 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -149 | 111.9 | 147.4 | -63.9 | -168.4 | -0.4 | 0 | 0 | 110.4 | ||||
| 143 | H | 34.4 | Very low | 37 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 85% | 0.852 | 84% | 0.84 | S | S | * | * | trans | -80.1 | 174.2 | 145.9 | -67.9 | -74.8 | 0 | 0 | 0 | 108 | ||||
| 144 | P | 47.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | cis | -136.2 | 174.6 | 5.5 | 34.2 | -12.4 | 0 | 0 | 0 | 114.8 | ||||
| 145 | G | 32.2 | Very low | 37.8 | Very low | 79 Ų | 79 | 148 Ų | 148 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | -163.4 | 112.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 146 | L | 34.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -87.1 | 163.4 | -175.2 | -82 | 149.4 | 0 | 0 | 0 | 113.5 | ||||
| 147 | S | 33 | Very low | 37.7 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | 83.9 | 139.2 | 158 | -151.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 148 | S | 36.3 | Very low | 38 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 73% | 0.727 | 87% | 0.874 | S | S | * | * | cis | -171.9 | 146.7 | 7.1 | 16.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 149 | G | 31.5 | Very low | 38.2 | Very low | 76 Ų | 76 | 151.1 Ų | 151.1 | 78% | 0.784 | 87% | 0.87 | S | S | * | * | trans | -76.6 | -146.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 150 | P | 47.6 | Very low | 38.4 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 82% | 0.818 | 88% | 0.875 | S | S | * | * | cis | -118.3 | 162.4 | -45.5 | 37.3 | -24.8 | 0 | 0 | 0 | 110.5 | ||||
| 151 | E | 41.2 | Very low | 38.7 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 94% | 0.935 | 87% | 0.874 | S | S | * | * | trans | -151.8 | 136.1 | 160.6 | -116.9 | 164.9 | 159 | 0 | 0 | 113 | ||||
| 152 | K | 42.1 | Very low | 39 | Very low | 186 Ų | 186 | 155.2 Ų | 155.2 | 81% | 0.809 | 88% | 0.881 | S | S | * | * | trans | -128.7 | 112.1 | -169 | 172.1 | -162.6 | -170.1 | -173.3 | 0 | 103.9 | ||||
| 153 | E | 45.2 | Very low | 39.2 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 90% | 0.897 | 88% | 0.879 | S | S | * | * | trans | -149.8 | 136.2 | 158.3 | -133.7 | 162 | 120 | 0 | 0 | 112.3 | ||||
| 154 | R | 43.9 | Very low | 39.5 | Very low | 216 Ų | 216 | 150.6 Ų | 150.6 | 82% | 0.815 | 88% | 0.881 | S | S | * | * | trans | -81.3 | 179.7 | 176.8 | -70.9 | 172 | 178.1 | -114.2 | 1.9 | 109.3 | ||||
| 155 | Q | 43.7 | Very low | 39 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 88% | 0.879 | 89% | 0.885 | S | S | * | * | trans | 91.8 | 131.2 | 162.2 | -62.6 | -177.8 | -2.9 | 0 | 0 | 112.6 | ||||
| 156 | N | 36.2 | Very low | 39.5 | Very low | 140 Ų | 140 | 157.9 Ų | 157.9 | 75% | 0.749 | 89% | 0.89 | S | S | * | * | cis | -167.9 | 175.2 | 5.8 | -170.1 | 24.4 | 0 | 0 | 0 | 107.9 | ||||
| 157 | E | 41.3 | Very low | 39.9 | Very low | 180 Ų | 180 | 156.4 Ų | 156.4 | 84% | 0.841 | 89% | 0.887 | S | S | * | * | trans | 94.5 | 113.1 | 156.7 | -50.7 | -162.3 | 124 | 0 | 0 | 118.7 | ||||
| 158 | G | 37.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 160.3 Ų | 160.3 | 100% | 1.598 | 90% | 0.896 | S | S | * | * | trans | 150.8 | 0 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 158 of 158 residues in 304.7 ms
(Link to these results)