| 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 | S | 57.3 | Low | 86.5 | Confident | 153 Ų | 153 | 109.1 Ų | 109.1 | 100% | 1.07 | 63% | 0.63 | S | S | * | * | 0 | 122.6 | 0 | -164.9 | 0 | 0 | 0 | 0 | 107.4 | R4 | S1-R4 PolarHBondContact OG-NH1 3.41Š| |||
| 2 | S | 70.5 | Confident | 87.4 | Confident | 84 Ų | 84 | 112.3 Ų | 112.3 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | trans | -66 | 145.4 | 169 | -57.4 | 0 | 0 | 0 | 0 | 108.7 | R4 | S2-R4 PolarHBondContact O-N 3.36Š| ||
| 3 | P | 83.3 | Confident | 88.2 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | trans | -62.2 | 136.5 | 175.9 | 31.8 | -37.1 | 0 | 0 | 0 | 108.8 | F26 | P3-F26 HydrophobicContact CB-CE1 3.82Å; P3-F26 HydrophobicContact CG-CD1 4.22Å; P3-F26 HydrophobicContact CG-CE1 3.74Å | ||
| 4 | R | 84.9 | Confident | 88.8 | Confident | 173 Ų | 173 | 103.6 Ų | 103.6 | 65% | 0.653 | 59% | 0.591 | S | S | * | * | trans | -131.3 | 150.1 | 177.8 | -64 | -171.7 | -171.9 | 86.1 | -7.2 | 108.1 | S1 S2 | S1-R4 PolarHBondContact OG-NH1 3.41Å; S2-R4 PolarHBondContact O-N 3.36Å | ||
| 5 | F | 87.8 | Confident | 89.4 | Confident | 78 Ų | 78 | 97.2 Ų | 97.2 | 34% | 0.342 | 55% | 0.554 | S | S | . | * | trans | -147.4 | 154.5 | 175.4 | 75.7 | -57.7 | 0 | 0 | 0 | 107.7 | L7 F21 A22 E25 F26 | F5-L7 HydrophobicContact CD2-CD1 4.44Å; F5-L7 HydrophobicContact CD2-CD2 3.84Å; F5-L7 HydrophobicContact CD2-CG 3.88Å; F5-L7 HydrophobicContact CE2-CD1 3.45Å; F5-L7 VanDerWaalsContact CE2-CD1 3.45Å; F5-L7 HydrophobicContact CE2-CD2 3.54Å; F5-L7 HydrophobicContact CE2-CG 3.36Å; F5-L7 HydrophobicContact CZ-CD1 3.72Å; F5-L7 HydrophobicContact CZ-CG 3.99Å; F5-F21 HydrophobicContact CE2-CD1 4.2Å; F5-F21 HydrophobicContact CE2-CE1 4.25Å; F5-A22 HydrophobicContact CE1-CB 4.16Å; F5-A22 HydrophobicContact CE2-CB 4.49Å; F5-A22 HydrophobicContact CZ-CB 3.5Å; F5-E25 HydrophobicContact CE2-CB 4.41Å; F5-E25 HydrophobicContact CE2-CG 4.28Å; F5-F26 HydrophobicContact CD1-CE1 4.38Å; F5-F26 AromaticContact CD1-CE2 3.57Å; F5-F26 HydrophobicContact CD1-CE2 3.57Å; F5-F26 AromaticContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CD1-CZ 3.42Å; F5-F26 VanDerWaalsContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CE1-CD2 4.16Å; F5-F26 AromaticContact CE1-CE2 3.28Å; F5-F26 HydrophobicContact CE1-CE2 3.28Å; F5-F26 AromaticContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CG-CZ 4.48Å; F5-F26 HydrophobicContact CZ-CE2 4.25Å | ||
| 6 | T | 92.3 | Very high | 89.9 | Confident | 133 Ų | 133 | 95.6 Ų | 95.6 | 82% | 0.816 | 55% | 0.546 | S | S | * | . | trans | -114.1 | 132 | -178.5 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | L | 91.2 | Very high | 90.3 | Very high | 59 Ų | 59 | 92.8 Ų | 92.8 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | trans | -114.9 | 133.3 | 175.4 | -65.6 | 177.5 | 0 | 0 | 0 | 110.1 | F5 V18 F21 | F5-L7 HydrophobicContact CD2-CD1 4.44Å; F5-L7 HydrophobicContact CD2-CD2 3.84Å; F5-L7 HydrophobicContact CD2-CG 3.88Å; F5-L7 HydrophobicContact CE2-CD1 3.45Å; F5-L7 VanDerWaalsContact CE2-CD1 3.45Å; F5-L7 HydrophobicContact CE2-CD2 3.54Å; F5-L7 HydrophobicContact CE2-CG 3.36Å; F5-L7 HydrophobicContact CZ-CD1 3.72Å; F5-L7 HydrophobicContact CZ-CG 3.99Å; L7-V18 HydrophobicContact CD1-CG1 4.01Å; L7-F21 HydrophobicContact CD1-CD1 3.8Å; L7-F21 HydrophobicContact CD1-CE1 4.42Å; L7-F21 HydrophobicContact CD2-CD1 3.66Å; L7-F21 HydrophobicContact CD2-CE1 3.41Å; L7-F21 VanDerWaalsContact CD2-CE1 3.41Å; L7-F21 HydrophobicContact CD2-CZ 4.37Å; L7-F21 HydrophobicContact CG-CD1 4.36Å | ||
| 8 | S | 95.1 | Very high | 90.6 | Very high | 122 Ų | 122 | 88.7 Ų | 88.7 | 85% | 0.853 | 51% | 0.514 | S | S | * | . | trans | -108.5 | 119.4 | 167.5 | -60.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 9 | V | 94.6 | Very high | 90.8 | Very high | 62 Ų | 62 | 84.6 Ų | 84.6 | 38% | 0.376 | 49% | 0.491 | S | S | . | . | trans | -133.5 | 149.8 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | T13 V18 A49 | V9-T13 HydrophobicContact CB-CG2 4.23Å; V9-V18 HydrophobicContact CG1-CG2 4.32Å; V9-V18 HydrophobicContact CG2-CG2 4.02Å; V9-A49 HydrophobicContact CG2-CB 3.62Å | ||
| 10 | P | 97.7 | Very high | 91 | Very high | 94 Ų | 94 | 85.9 Ų | 85.9 | 61% | 0.61 | 49% | 0.49 | S | S | * | . | trans | -54.6 | 147.6 | 169.2 | -25.2 | 32.9 | 0 | 0 | 0 | 111.9 | E12 T13 | P10-E12 PolarHBondContact O-N 3.16Å; P10-T13 VanDerWaalsContact CD-OG1 3.31Å; P10-T13 WeakPolarHBondContact CD-OG1 3.17Å; P10-T13 WeakPolarHBondContact O-CB 3.46Å; P10-T13 PolarHBondContact O-N 2.86Å; P10-T13 PolarHBondContact O-OG1 2.96Å | ||
| 11 | E | 97 | Very high | 91.3 | Very high | 142 Ų | 142 | 86.1 Ų | 86.1 | 66% | 0.664 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -36.4 | -177.5 | -66.9 | -174.3 | 162 | 0 | 0 | 112.8 | T13 T48 A49 G50 | E11-T13 PolarHBondContact O-N 3.37Å; E11-T48 WeakPolarHBondContact O-CB 3.29Å; E11-A49 PolarHBondContact O-N 3.35Å; E11-G50 PolarHBondContact O-N 2.83Å |
| 12 | E | 97.3 | Very high | 93 | Very high | 148 Ų | 148 | 79.1 Ų | 79.1 | 69% | 0.692 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.9 | 178.7 | -61.4 | -54.8 | 140 | 0 | 0 | 114.1 | P10 P14 | P10-E12 PolarHBondContact O-N 3.16Å; E12-P14 WeakPolarHBondContact O-CD 3.32Å |
| 13 | T | 97.2 | Very high | 94.1 | Very high | 28 Ų | 28 | 75.1 Ų | 75.1 | 17% | 0.172 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -60.5 | 126.7 | 179.8 | -55.4 | 0 | 0 | 0 | 0 | 109.8 | V9 P10 E11 F15 A17 V18 T48 A49 | V9-T13 HydrophobicContact CB-CG2 4.23Å; P10-T13 VanDerWaalsContact CD-OG1 3.31Å; P10-T13 WeakPolarHBondContact CD-OG1 3.17Å; P10-T13 WeakPolarHBondContact O-CB 3.46Å; P10-T13 PolarHBondContact O-N 2.86Å; P10-T13 PolarHBondContact O-OG1 2.96Å; E11-T13 PolarHBondContact O-N 3.37Å; T13-F15 PolarHBondContact O-N 2.7Å; T13-A17 HydrophobicContact CG2-CB 4.32Å; T13-V18 HydrophobicContact CG2-CG2 4.17Å; T13-T48 CarbonylContact O-C 3.58Å; T13-T48 WeakPolarHBondContact O-CA 3.31Å; T13-A49 PolarHBondContact O-N 2.96Å |
| 14 | P | 97.6 | Very high | 94.6 | Very high | 74 Ų | 74 | 75.2 Ų | 75.2 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -57.8 | 128.7 | 172.6 | -24.8 | 34.5 | 0 | 0 | 0 | 110.4 | E12 T16 A17 | E12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-T16 PolarHBondContact O-N 3.34Å; P14-A17 WeakPolarHBondContact O-CB 3.48Å; P14-A17 PolarHBondContact O-N 2.82Å |
| 15 | F | 96.9 | Very high | 95 | Very high | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.035 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.4 | -19.1 | -177.9 | -163.7 | -110 | 0 | 0 | 0 | 112.9 | T13 A17 V18 L19 I35 I43 P45 Q47 A49 V52 L60 | T13-F15 PolarHBondContact O-N 2.7Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 PolarHBondContact O-N 2.79Å; F15-V18 HydrophobicContact CD2-CB 3.93Å; F15-V18 HydrophobicContact CD2-CG1 4.23Å; F15-V18 HydrophobicContact CD2-CG2 4.07Å; F15-V18 HydrophobicContact CE2-CB 4.13Å; F15-V18 HydrophobicContact CE2-CG1 3.92Å; F15-V18 PolarHBondContact O-N 3.26Å; F15-L19 PolarHBondContact O-N 3.22Å; F15-I35 HydrophobicContact CE1-CB 4.2Å; F15-I35 HydrophobicContact CE1-CD1 3.72Å; F15-I35 HydrophobicContact CE1-CG1 4.46Å; F15-I35 HydrophobicContact CE1-CG2 4.23Å; F15-I35 HydrophobicContact CZ-CD1 3.69Å; F15-I35 HydrophobicContact CZ-CG2 4.22Å; F15-I43 HydrophobicContact CD1-CG2 4.34Å; F15-I43 HydrophobicContact CE1-CG2 3.98Å; F15-P45 HydrophobicContact CD1-CB 4.19Å; F15-Q47 WeakPolarHBondContact CB-O 3.35Å; F15-Q47 PolarHBondContact N-O 3.15Å; F15-A49 HydrophobicContact CD2-CB 4.43Å; F15-V52 HydrophobicContact CB-CG2 3.95Å; F15-V52 HydrophobicContact CD1-CG2 3.71Å; F15-V52 HydrophobicContact CD2-CB 4Å; F15-V52 HydrophobicContact CD2-CG1 4.28Å; F15-V52 HydrophobicContact CD2-CG2 3.56Å; F15-V52 HydrophobicContact CE1-CG1 4.24Å; F15-V52 HydrophobicContact CE1-CG2 4.02Å; F15-V52 HydrophobicContact CE2-CB 3.99Å; F15-V52 HydrophobicContact CE2-CG1 3.77Å; F15-V52 HydrophobicContact CE2-CG2 3.9Å; F15-V52 HydrophobicContact CG-CB 4.39Å; F15-V52 HydrophobicContact CG-CG2 3.46Å; F15-V52 VanDerWaalsContact CG-CG2 3.46Å; F15-V52 HydrophobicContact CZ-CB 4.37Å; F15-V52 HydrophobicContact CZ-CG1 3.76Å; F15-V52 HydrophobicContact CZ-CG2 4.13Å; F15-L60 HydrophobicContact CE2-CD1 4.09Å; F15-L60 HydrophobicContact CZ-CD1 3.57Å |
| 16 | T | 97.1 | Very high | 95.1 | Very high | 71 Ų | 71 | 72 Ų | 72 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58 | -37.1 | 165.9 | 48.3 | 0 | 0 | 0 | 0 | 113 | P14 K20 P45 | P14-T16 PolarHBondContact O-N 3.34Å; T16-K20 WeakPolarHBondContact O-CB 3.37Å; T16-K20 PolarHBondContact O-N 2.93Å; T16-P45 HydrophobicContact CG2-CB 3.85Å; T16-P45 HydrophobicContact CG2-CG 4.14Å; T16-P45 WeakPolarHBondContact CG2-O 3.46Å; T16-P45 PolarHBondContact N-O 2.66Å |
| 17 | A | 96.6 | Very high | 95.1 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T13 P14 F15 K20 F21 | T13-A17 HydrophobicContact CG2-CB 4.32Å; P14-A17 WeakPolarHBondContact O-CB 3.48Å; P14-A17 PolarHBondContact O-N 2.82Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 PolarHBondContact O-N 2.79Å; A17-K20 PolarHBondContact O-N 3.32Å; A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 3.37Å |
| 18 | V | 96.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L7 V9 T13 F15 K20 F21 A22 A49 | L7-V18 HydrophobicContact CD1-CG1 4.01Å; V9-V18 HydrophobicContact CG1-CG2 4.32Å; V9-V18 HydrophobicContact CG2-CG2 4.02Å; T13-V18 HydrophobicContact CG2-CG2 4.17Å; F15-V18 HydrophobicContact CD2-CB 3.93Å; F15-V18 HydrophobicContact CD2-CG1 4.23Å; F15-V18 HydrophobicContact CD2-CG2 4.07Å; F15-V18 HydrophobicContact CE2-CB 4.13Å; F15-V18 HydrophobicContact CE2-CG1 3.92Å; F15-V18 PolarHBondContact O-N 3.26Å; V18-K20 PolarHBondContact O-N 2.98Å; V18-F21 PolarHBondContact O-N 2.96Å; V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.25Å; V18-A49 HydrophobicContact CG2-CB 4.32Å |
| 19 | L | 95 | Very high | 95.1 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 176.4 | -179.9 | 154.5 | 0 | 0 | 0 | 111.6 | F15 A22 A23 P30 I35 P45 L62 | F15-L19 PolarHBondContact O-N 3.22Å; L19-A22 PolarHBondContact O-N 3.17Å; L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.34Å; L19-P30 HydrophobicContact CD2-CB 4.37Å; L19-I35 HydrophobicContact CB-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG1 4.16Å; L19-I35 HydrophobicContact CG-CD1 4.33Å; L19-I35 HydrophobicContact CG-CG1 4.32Å; L19-P45 HydrophobicContact CD1-CB 4.25Å; L19-P45 HydrophobicContact CD1-CG 4.42Å; L19-L62 HydrophobicContact CG-CD1 4.5Å |
| 20 | K | 95.5 | Very high | 95.1 | Very high | 110 Ų | 110 | 70.6 Ų | 70.6 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 179.4 | -178.5 | 177.4 | 173.3 | -178.7 | 0 | 111.3 | T16 A17 V18 A22 A23 E24 P30 | T16-K20 WeakPolarHBondContact O-CB 3.37Å; T16-K20 PolarHBondContact O-N 2.93Å; A17-K20 PolarHBondContact O-N 3.32Å; V18-K20 PolarHBondContact O-N 2.98Å; K20-A22 PolarHBondContact O-N 2.91Å; K20-A23 PolarHBondContact O-N 2.92Å; K20-E24 WeakPolarHBondContact CE-OE1 3.39Å; K20-E24 IonicContact NZ-OE1 3.91Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.06Å; K20-P30 HydrophobicContact CB-CB 4.4Å; K20-P30 HydrophobicContact CG-CB 4.18Å; K20-P30 HydrophobicContact CG-CG 4.27Å |
| 21 | F | 95.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 177.5 | -173.6 | -84.1 | 0 | 0 | 0 | 111.4 | F5 L7 A17 V18 A23 E24 E25 | F5-F21 HydrophobicContact CE2-CD1 4.2Å; F5-F21 HydrophobicContact CE2-CE1 4.25Å; L7-F21 HydrophobicContact CD1-CD1 3.8Å; L7-F21 HydrophobicContact CD1-CE1 4.42Å; L7-F21 HydrophobicContact CD2-CD1 3.66Å; L7-F21 HydrophobicContact CD2-CE1 3.41Å; L7-F21 VanDerWaalsContact CD2-CE1 3.41Å; L7-F21 HydrophobicContact CD2-CZ 4.37Å; L7-F21 HydrophobicContact CG-CD1 4.36Å; A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 3.37Å; V18-F21 PolarHBondContact O-N 2.96Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 2.83Å; F21-E24 PolarHBondContact O-N 3.42Å; F21-E25 HydrophobicContact CD1-CG 3.82Å; F21-E25 HydrophobicContact CE1-CG 3.36Å; F21-E25 HydrophobicContact CZ-CG 3.93Å; F21-E25 WeakPolarHBondContact O-CG 3.42Å; F21-E25 PolarHBondContact O-N 3.1Å |
| 22 | A | 94 | Very high | 94.6 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F5 V18 L19 K20 F26 L62 | F5-A22 HydrophobicContact CE1-CB 4.16Å; F5-A22 HydrophobicContact CE2-CB 4.49Å; F5-A22 HydrophobicContact CZ-CB 3.5Å; V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.25Å; L19-A22 PolarHBondContact O-N 3.17Å; K20-A22 PolarHBondContact O-N 2.91Å; A22-F26 WeakPolarHBondContact O-CD2 3.3Å; A22-F26 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-N 3.09Å; A22-L62 HydrophobicContact CB-CD1 4.49Å |
| 23 | A | 93.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L19 K20 F21 F26 K27 V28 P30 L62 | L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.34Å; K20-A23 PolarHBondContact O-N 2.92Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 2.83Å; A23-F26 CarbonylContact O-C 3.6Å; A23-F26 PolarHBondContact O-N 3.39Å; A23-K27 PolarHBondContact O-N 3.38Å; A23-V28 CarbonylContact C-O 3.52Å; A23-V28 HydrophobicContact CB-CG2 3.95Å; A23-V28 WeakPolarHBondContact O-CG2 3.33Å; A23-V28 PolarHBondContact O-N 3.47Å; A23-V28 VanDerWaalsContact O-O 3.09Å; A23-P30 HydrophobicContact CB-CB 3.83Å; A23-L62 HydrophobicContact CB-CD2 4.17Å |
| 24 | E | 94.4 | Very high | 94.2 | Very high | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.8 | -71.6 | 172.8 | 172.8 | 0 | 0 | 112 | K20 F21 F26 K27 | K20-E24 WeakPolarHBondContact CE-OE1 3.39Å; K20-E24 IonicContact NZ-OE1 3.91Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.06Å; F21-E24 PolarHBondContact O-N 3.42Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.43Å; E24-K27 WeakPolarHBondContact O-CA 3.16Å; E24-K27 PolarHBondContact O-N 3.19Å |
| 25 | E | 92.3 | Very high | 94 | Very high | 112 Ų | 112 | 58 Ų | 58 | 52% | 0.523 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.6 | -76.5 | -61.1 | 123.7 | 0 | 0 | 112.5 | F5 F21 K27 | F5-E25 HydrophobicContact CE2-CB 4.41Å; F5-E25 HydrophobicContact CE2-CG 4.28Å; F21-E25 HydrophobicContact CD1-CG 3.82Å; F21-E25 HydrophobicContact CE1-CG 3.36Å; F21-E25 HydrophobicContact CZ-CG 3.93Å; F21-E25 WeakPolarHBondContact O-CG 3.42Å; F21-E25 PolarHBondContact O-N 3.1Å; E25-K27 PolarHBondContact O-N 3.45Å |
| 26 | F | 90.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.3 | 175 | -71.1 | -56.7 | 0 | 0 | 0 | 114.2 | P3 F5 A22 A23 E24 V28 L62 | P3-F26 HydrophobicContact CB-CE1 3.82Å; P3-F26 HydrophobicContact CG-CD1 4.22Å; P3-F26 HydrophobicContact CG-CE1 3.74Å; F5-F26 HydrophobicContact CD1-CE1 4.38Å; F5-F26 AromaticContact CD1-CE2 3.57Å; F5-F26 HydrophobicContact CD1-CE2 3.57Å; F5-F26 AromaticContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CD1-CZ 3.42Å; F5-F26 VanDerWaalsContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CE1-CD2 4.16Å; F5-F26 AromaticContact CE1-CE2 3.28Å; F5-F26 HydrophobicContact CE1-CE2 3.28Å; F5-F26 AromaticContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CG-CZ 4.48Å; F5-F26 HydrophobicContact CZ-CE2 4.25Å; A22-F26 WeakPolarHBondContact O-CD2 3.3Å; A22-F26 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-N 3.09Å; A23-F26 CarbonylContact O-C 3.6Å; A23-F26 PolarHBondContact O-N 3.39Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.43Å; F26-V28 VanDerWaalsContact C-N 3.29Å; F26-V28 HydrophobicContact CB-CG2 4.25Å; F26-V28 PolarHBondContact O-N 3.45Å; F26-L62 HydrophobicContact CB-CD2 4.41Å; F26-L62 HydrophobicContact CD2-CB 4.46Å; F26-L62 HydrophobicContact CD2-CD2 3.84Å |
| 27 | K | 92.3 | Very high | 93.6 | Very high | 193 Ų | 193 | 55.7 Ų | 55.7 | 84% | 0.839 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 40.6 | -179.6 | -53.6 | 178.9 | -178.4 | 179.3 | 0 | 112.8 | A23 E24 E25 | A23-K27 PolarHBondContact O-N 3.38Å; E24-K27 WeakPolarHBondContact O-CA 3.16Å; E24-K27 PolarHBondContact O-N 3.19Å; E25-K27 PolarHBondContact O-N 3.45Å |
| 28 | V | 91.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | trans | -118 | 151.1 | 174.3 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | A23 F26 L62 | A23-V28 CarbonylContact C-O 3.52Å; A23-V28 HydrophobicContact CB-CG2 3.95Å; A23-V28 WeakPolarHBondContact O-CG2 3.33Å; A23-V28 PolarHBondContact O-N 3.47Å; A23-V28 VanDerWaalsContact O-O 3.09Å; F26-V28 VanDerWaalsContact C-N 3.29Å; F26-V28 HydrophobicContact CB-CG2 4.25Å; F26-V28 PolarHBondContact O-N 3.45Å; V28-L62 HydrophobicContact CG2-CD2 3.57Å | ||
| 29 | P | 94 | Very high | 92.9 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | trans | -69.7 | 124 | -178.7 | -17 | 30.6 | 0 | 0 | 0 | 111.6 | E31 T32 S33 | P29-E31 VanDerWaalsContact C-N 3.26Å; P29-E31 PolarHBondContact O-N 3.4Å; P29-T32 PolarHBondContact O-N 3.27Å; P29-T32 PolarHBondContact O-OG1 3.09Å; P29-T32 VanDerWaalsContact O-OG1 3.1Å; P29-S33 PolarHBondContact O-N 3.34Å; P29-S33 PolarHBondContact O-OG 2.96Å | ||
| 30 | P | 94 | Very high | 92.7 | Very high | 22 Ų | 22 | 65 Ų | 65 | 14% | 0.143 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -62.3 | -30.9 | -177.7 | 23.1 | -31.9 | 0 | 0 | 0 | 113.2 | L19 K20 A23 T32 S33 | L19-P30 HydrophobicContact CD2-CB 4.37Å; K20-P30 HydrophobicContact CB-CB 4.4Å; K20-P30 HydrophobicContact CG-CB 4.18Å; K20-P30 HydrophobicContact CG-CG 4.27Å; A23-P30 HydrophobicContact CB-CB 3.83Å; P30-T32 PolarHBondContact O-N 3.02Å; P30-S33 PolarHBondContact O-N 2.96Å; P30-S33 VanDerWaalsContact O-N 3.08Å |
| 31 | E | 92.1 | Very high | 92.4 | Very high | 132 Ų | 132 | 64.1 Ų | 64.1 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -63.8 | -31.4 | -179.3 | -59.4 | 74.3 | -160.3 | 0 | 0 | 112.2 | P29 R65 | P29-E31 VanDerWaalsContact C-N 3.26Å; P29-E31 PolarHBondContact O-N 3.4Å; E31-R65 WeakPolarHBondContact O-CD 3.3Å; E31-R65 PolarHBondContact O-NE 2.97Å; E31-R65 PolarHBondContact O-NH1 3.41Å |
| 32 | T | 91.3 | Very high | 92.2 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -100.4 | 10.4 | 178.6 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | P29 P30 P64 R65 | P29-T32 PolarHBondContact O-N 3.27Å; P29-T32 PolarHBondContact O-OG1 3.09Å; P29-T32 VanDerWaalsContact O-OG1 3.1Å; P30-T32 PolarHBondContact O-N 3.02Å; T32-P64 CarbonylContact O-C 3.4Å; T32-P64 WeakPolarHBondContact O-CA 3.34Å; T32-R65 PolarHBondContact O-N 3.4Å |
| 33 | S | 93.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.3 | -177.8 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | P29 P30 I63 R65 | P29-S33 PolarHBondContact O-N 3.34Å; P29-S33 PolarHBondContact O-OG 2.96Å; P30-S33 PolarHBondContact O-N 2.96Å; P30-S33 VanDerWaalsContact O-N 3.08Å; S33-I63 CarbonylContact C-O 3.49Å; S33-I63 WeakPolarHBondContact CA-O 3.12Å; S33-R65 WeakPolarHBondContact O-CG 3.42Å; S33-R65 PolarHBondContact O-NE 3.24Å |
| 34 | A | 94.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 66.4 Ų | 66.4 | 12% | 0.116 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | L62 I63 R65 V68 | A34-L62 CarbonylContact O-C 3.49Å; A34-L62 WeakPolarHBondContact O-CA 3.47Å; A34-I63 HydrophobicContact CB-CG1 4.12Å; A34-I63 PolarHBondContact N-O 3.46Å; A34-I63 PolarHBondContact O-N 3.36Å; A34-R65 HydrophobicContact CB-CG 3.88Å; A34-V68 HydrophobicContact CB-CG2 3.42Å; A34-V68 VanDerWaalsContact CB-CG2 3.42Å |
| 35 | I | 93.7 | Very high | 92 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.051 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.4 | 173.7 | -67.1 | -175.3 | 0 | 0 | 0 | 109.1 | F15 L19 I43 L60 R61 L62 | F15-I35 HydrophobicContact CE1-CB 4.2Å; F15-I35 HydrophobicContact CE1-CD1 3.72Å; F15-I35 HydrophobicContact CE1-CG1 4.46Å; F15-I35 HydrophobicContact CE1-CG2 4.23Å; F15-I35 HydrophobicContact CZ-CD1 3.69Å; F15-I35 HydrophobicContact CZ-CG2 4.22Å; L19-I35 HydrophobicContact CB-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG1 4.16Å; L19-I35 HydrophobicContact CG-CD1 4.33Å; L19-I35 HydrophobicContact CG-CG1 4.32Å; I35-I43 HydrophobicContact CG2-CD1 4.1Å; I35-I43 PolarHBondContact O-N 2.69Å; I35-L60 HydrophobicContact CG2-CB 3.72Å; I35-L60 HydrophobicContact CG2-CD1 4.01Å; I35-L60 HydrophobicContact CG2-CG 4.31Å; I35-R61 CarbonylContact C-O 3.5Å; I35-R61 VanDerWaalsContact CA-O 3.3Å; I35-R61 WeakPolarHBondContact CA-O 3.43Å; I35-L62 HydrophobicContact CD1-CD1 4.42Å; I35-L62 HydrophobicContact CG1-CD1 3.8Å |
| 36 | I | 93.5 | Very high | 92.1 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 159.5 | 173.6 | 65 | 172.4 | 0 | 0 | 0 | 110.6 | I41 R61 I63 | I36-I41 CarbonylContact C-O 3.57Å; I36-I41 WeakPolarHBondContact CA-O 3.47Å; I36-I41 WeakPolarHBondContact CB-O 3.15Å; I36-R61 HydrophobicContact CD1-CB 4.49Å; I36-R61 HydrophobicContact CG1-CB 3.88Å; I36-R61 PolarHBondContact N-O 2.81Å; I36-R61 PolarHBondContact O-N 2.91Å; I36-I63 HydrophobicContact CD1-CD1 4.19Å; I36-I63 HydrophobicContact CD1-CG2 3.69Å; I36-I63 HydrophobicContact CG1-CD1 4.49Å; I36-I63 HydrophobicContact CG1-CG2 4Å; I36-I63 HydrophobicContact CG2-CD1 3.5Å; I36-I63 VanDerWaalsContact CG2-CD1 3.5Å; I36-I63 HydrophobicContact CG2-CG1 3.92Å |
| 37 | T | 91.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 168.6 | 164.5 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | D39 G40 I41 I43 H56 L60 | T37-D39 PolarHBondContact O-N 3.25Å; T37-D39 PolarHBondContact OG1-N 3.44Å; T37-G40 PolarHBondContact O-N 2.92Å; T37-I41 HydrophobicContact CG2-CB 4.19Å; T37-I41 PolarHBondContact N-O 3.37Å; T37-I41 WeakPolarHBondContact OG1-CB 3.41Å; T37-I41 PolarHBondContact OG1-N 3.45Å; T37-I41 VanDerWaalsContact OG1-N 3.17Å; T37-I43 HydrophobicContact CG2-CD1 4.04Å; T37-I43 HydrophobicContact CG2-CG1 4.39Å; T37-H56 HydrophobicContact CG2-CB 3.9Å; T37-L60 HydrophobicContact CG2-CD2 4.28Å |
| 38 | D | 89 | Confident | 92.6 | Very high | 79 Ų | 79 | 55 Ų | 55 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.9 | 172.7 | -93.4 | 24 | 0 | 0 | 0 | 113.5 | G40 R61 | D38-G40 PolarHBondContact O-N 3.4Å; D38-R61 IonicContact OD1-CZ 3.74Å; D38-R61 VanDerWaalsContact OD1-CZ 3.3Å; D38-R61 IonicContact OD1-NE 3.84Å; D38-R61 PolarHBondContact OD1-NE 2.96Å; D38-R61 IonicContact OD1-NH2 2.83Å; D38-R61 PolarHBondContact OD1-NH2 3.36Å; D38-R61 VanDerWaalsContact OD1-NH2 3.15Å; D38-R61 IonicContact OD2-CZ 3.3Å; D38-R61 IonicContact OD2-NE 2.66Å; D38-R61 IonicContact OD2-NH2 3.15Å; D38-R61 PolarHBondContact OD2-NH2 2.92Å |
| 39 | D | 89.6 | Confident | 92.8 | Very high | 148 Ų | 148 | 52.8 Ų | 52.8 | 79% | 0.791 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.4 | 175.3 | -58.1 | -48 | 0 | 0 | 0 | 113.8 | T37 I41 | T37-D39 PolarHBondContact O-N 3.25Å; T37-D39 PolarHBondContact OG1-N 3.44Å; D39-I41 HydrophobicContact CB-CG1 4.44Å |
| 40 | G | 89.2 | Confident | 93 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | trans | 83.1 | 15 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | T37 D38 | T37-G40 PolarHBondContact O-N 2.92Å; D38-G40 PolarHBondContact O-N 3.4Å | ||
| 41 | I | 90.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 50.4 Ų | 50.4 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | trans | -78.3 | 124.4 | 177.4 | -55.9 | 173 | 0 | 0 | 0 | 109 | I36 T37 D39 | I36-I41 CarbonylContact C-O 3.57Å; I36-I41 WeakPolarHBondContact CA-O 3.47Å; I36-I41 WeakPolarHBondContact CB-O 3.15Å; T37-I41 HydrophobicContact CG2-CB 4.19Å; T37-I41 PolarHBondContact N-O 3.37Å; T37-I41 WeakPolarHBondContact OG1-CB 3.41Å; T37-I41 PolarHBondContact OG1-N 3.45Å; T37-I41 VanDerWaalsContact OG1-N 3.17Å; D39-I41 HydrophobicContact CB-CG1 4.44Å | ||
| 42 | G | 92 | Very high | 93.4 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 43 | I | 94.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.3 | 177.4 | -56 | -176.6 | 0 | 0 | 0 | 109.5 | F15 I35 T37 V52 H56 L60 | F15-I43 HydrophobicContact CD1-CG2 4.34Å; F15-I43 HydrophobicContact CE1-CG2 3.98Å; I35-I43 HydrophobicContact CG2-CD1 4.1Å; I35-I43 PolarHBondContact O-N 2.69Å; T37-I43 HydrophobicContact CG2-CD1 4.04Å; T37-I43 HydrophobicContact CG2-CG1 4.39Å; I43-V52 HydrophobicContact CD1-CG1 4.09Å; I43-V52 HydrophobicContact CG2-CG1 4.28Å; I43-V52 HydrophobicContact CG2-CG2 4.15Å; I43-H56 HydrophobicContact CD1-CB 3.96Å; I43-L60 HydrophobicContact CD1-CD1 4.16Å; I43-L60 HydrophobicContact CD1-CD2 3.45Å; I43-L60 VanDerWaalsContact CD1-CD2 3.45Å; I43-L60 HydrophobicContact CD1-CG 4.43Å |
| 44 | T | 92.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 55% | 0.546 | 33% | 0.326 | S | S | . | . | trans | -74.8 | 125.9 | 171.1 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | T46 | T44-T46 HydrophobicContact CG2-CG2 4.13Å; T44-T46 WeakPolarHBondContact CG2-OG1 3.46Å; T44-T46 PolarHBondContact O-N 2.92Å | ||
| 45 | P | 90.7 | Very high | 93.8 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -80 | 2.6 | -172.2 | 33 | -37.3 | 0 | 0 | 0 | 114.6 | F15 T16 L19 Q47 | F15-P45 HydrophobicContact CD1-CB 4.19Å; T16-P45 HydrophobicContact CG2-CB 3.85Å; T16-P45 HydrophobicContact CG2-CG 4.14Å; T16-P45 WeakPolarHBondContact CG2-O 3.46Å; T16-P45 PolarHBondContact N-O 2.66Å; L19-P45 HydrophobicContact CD1-CB 4.25Å; L19-P45 HydrophobicContact CD1-CG 4.42Å; P45-Q47 PolarHBondContact O-N 3.49Å |
| 46 | T | 94.1 | Very high | 93.8 | Very high | 122 Ų | 122 | 63.6 Ų | 63.6 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -79.8 | 37.7 | -177 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | T44 | T44-T46 HydrophobicContact CG2-CG2 4.13Å; T44-T46 WeakPolarHBondContact CG2-OG1 3.46Å; T44-T46 PolarHBondContact O-N 2.92Å |
| 47 | Q | 95.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -139.7 | 168.9 | 179 | 53.1 | 177.7 | 80.4 | 0 | 0 | 110 | F15 P45 A51 V52 | F15-Q47 WeakPolarHBondContact CB-O 3.35Å; F15-Q47 PolarHBondContact N-O 3.15Å; P45-Q47 PolarHBondContact O-N 3.49Å; Q47-A51 HydrophobicContact CB-CB 4.35Å; Q47-A51 PolarHBondContact NE2-O 3.29Å; Q47-V52 HydrophobicContact CG-CG2 3.59Å |
| 48 | T | 98 | Very high | 94 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -77.5 | 159.4 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | E11 T13 G50 A51 V52 | E11-T48 WeakPolarHBondContact O-CB 3.29Å; T13-T48 CarbonylContact O-C 3.58Å; T13-T48 WeakPolarHBondContact O-CA 3.31Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 2.82Å; T48-A51 PolarHBondContact O-N 2.88Å; T48-A51 WeakPolarHBondContact OG1-CB 3.41Å; T48-A51 PolarHBondContact OG1-N 3.28Å; T48-V52 PolarHBondContact O-N 3.17Å; T48-V52 VanDerWaalsContact O-N 3.1Å |
| 49 | A | 97.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | V9 E11 T13 F15 V18 A51 V52 F53 | V9-A49 HydrophobicContact CG2-CB 3.62Å; E11-A49 PolarHBondContact O-N 3.35Å; T13-A49 PolarHBondContact O-N 2.96Å; F15-A49 HydrophobicContact CD2-CB 4.43Å; V18-A49 HydrophobicContact CG2-CB 4.32Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.85Å; A49-V52 PolarHBondContact O-N 2.96Å; A49-F53 WeakPolarHBondContact O-CB 3.36Å; A49-F53 PolarHBondContact O-N 3Å |
| 50 | G | 97.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | E11 T48 V52 F53 M54 | E11-G50 PolarHBondContact O-N 2.83Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 2.82Å; G50-V52 VanDerWaalsContact C-N 3.34Å; G50-V52 PolarHBondContact O-N 3.36Å; G50-F53 PolarHBondContact O-N 2.84Å; G50-M54 WeakPolarHBondContact O-CB 3.39Å; G50-M54 WeakPolarHBondContact O-CG 2.91Å; G50-M54 PolarHBondContact O-N 2.97Å |
| 51 | A | 97 | Very high | 94.6 | Very high | 34 Ų | 34 | 68 Ų | 68 | 28% | 0.281 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q47 T48 A49 K55 | Q47-A51 HydrophobicContact CB-CB 4.35Å; Q47-A51 PolarHBondContact NE2-O 3.29Å; T48-A51 PolarHBondContact O-N 2.88Å; T48-A51 WeakPolarHBondContact OG1-CB 3.41Å; T48-A51 PolarHBondContact OG1-N 3.28Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.85Å; A51-K55 WeakPolarHBondContact O-CG 3.49Å; A51-K55 PolarHBondContact O-N 3.43Å |
| 52 | V | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.8 | -50.1 | 173.5 | 175 | 0 | 0 | 0 | 0 | 109.9 | F15 I43 Q47 T48 A49 G50 M54 K55 H56 L60 | F15-V52 HydrophobicContact CB-CG2 3.95Å; F15-V52 HydrophobicContact CD1-CG2 3.71Å; F15-V52 HydrophobicContact CD2-CB 4Å; F15-V52 HydrophobicContact CD2-CG1 4.28Å; F15-V52 HydrophobicContact CD2-CG2 3.56Å; F15-V52 HydrophobicContact CE1-CG1 4.24Å; F15-V52 HydrophobicContact CE1-CG2 4.02Å; F15-V52 HydrophobicContact CE2-CB 3.99Å; F15-V52 HydrophobicContact CE2-CG1 3.77Å; F15-V52 HydrophobicContact CE2-CG2 3.9Å; F15-V52 HydrophobicContact CG-CB 4.39Å; F15-V52 HydrophobicContact CG-CG2 3.46Å; F15-V52 VanDerWaalsContact CG-CG2 3.46Å; F15-V52 HydrophobicContact CZ-CB 4.37Å; F15-V52 HydrophobicContact CZ-CG1 3.76Å; F15-V52 HydrophobicContact CZ-CG2 4.13Å; I43-V52 HydrophobicContact CD1-CG1 4.09Å; I43-V52 HydrophobicContact CG2-CG1 4.28Å; I43-V52 HydrophobicContact CG2-CG2 4.15Å; Q47-V52 HydrophobicContact CG-CG2 3.59Å; T48-V52 PolarHBondContact O-N 3.17Å; T48-V52 VanDerWaalsContact O-N 3.1Å; A49-V52 PolarHBondContact O-N 2.96Å; G50-V52 VanDerWaalsContact C-N 3.34Å; G50-V52 PolarHBondContact O-N 3.36Å; V52-M54 VanDerWaalsContact C-N 3.31Å; V52-M54 PolarHBondContact O-N 2.91Å; V52-K55 PolarHBondContact O-N 2.99Å; V52-H56 HydrophobicContact CG1-CB 4.4Å; V52-H56 WeakPolarHBondContact O-CB 3.4Å; V52-H56 PolarHBondContact O-N 2.88Å; V52-L60 HydrophobicContact CG1-CD1 3.79Å |
| 53 | F | 95.7 | Very high | 94.7 | Very high | 126 Ų | 126 | 65 Ų | 65 | 55% | 0.553 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.6 | -45.2 | -178 | -179.9 | -102.4 | 0 | 0 | 0 | 111.7 | A49 G50 K55 G57 | A49-F53 WeakPolarHBondContact O-CB 3.36Å; A49-F53 PolarHBondContact O-N 3Å; G50-F53 PolarHBondContact O-N 2.84Å; F53-K55 VanDerWaalsContact C-N 3.3Å; F53-K55 PolarHBondContact O-N 2.78Å; F53-G57 VanDerWaalsContact O-CA 3.29Å; F53-G57 WeakPolarHBondContact O-CA 3.45Å; F53-G57 PolarHBondContact O-N 2.79Å |
| 54 | M | 96.3 | Very high | 94.4 | Very high | 170 Ų | 170 | 66.5 Ų | 66.5 | 84% | 0.837 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.1 | -35 | 175.8 | -78 | -77.4 | -136.7 | 0 | 0 | 113.8 | G50 V52 | G50-M54 WeakPolarHBondContact O-CB 3.39Å; G50-M54 WeakPolarHBondContact O-CG 2.91Å; G50-M54 PolarHBondContact O-N 2.97Å; V52-M54 VanDerWaalsContact C-N 3.31Å; V52-M54 PolarHBondContact O-N 2.91Å |
| 55 | K | 95.8 | Very high | 93.9 | Very high | 145 Ų | 145 | 68.5 Ų | 68.5 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -89.3 | -32.2 | -176.7 | -71.9 | 179.1 | -176.6 | 178.2 | 0 | 113.9 | A51 V52 F53 | A51-K55 WeakPolarHBondContact O-CG 3.49Å; A51-K55 PolarHBondContact O-N 3.43Å; V52-K55 PolarHBondContact O-N 2.99Å; F53-K55 VanDerWaalsContact C-N 3.3Å; F53-K55 PolarHBondContact O-N 2.78Å |
| 56 | H | 94.6 | Very high | 93 | Very high | 57 Ų | 57 | 73.2 Ų | 73.2 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -129.6 | -11.3 | -164.4 | -56.9 | -62.8 | 0 | 0 | 0 | 114 | T37 I43 V52 L60 | T37-H56 HydrophobicContact CG2-CB 3.9Å; I43-H56 HydrophobicContact CD1-CB 3.96Å; V52-H56 HydrophobicContact CG1-CB 4.4Å; V52-H56 WeakPolarHBondContact O-CB 3.4Å; V52-H56 PolarHBondContact O-N 2.88Å; H56-L60 HydrophobicContact CB-CD2 4.15Å |
| 57 | G | 94.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 72 Ų | 72 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | trans | 77.8 | -164.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F53 | F53-G57 VanDerWaalsContact O-CA 3.29Å; F53-G57 WeakPolarHBondContact O-CA 3.45Å; F53-G57 PolarHBondContact O-N 2.79Å | ||
| 58 | S | 94.1 | Very high | 89.7 | Confident | 85 Ų | 85 | 73 Ų | 73 | 59% | 0.594 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -92.6 | -21.7 | -177.5 | 51 | 0 | 0 | 0 | 0 | 114.6 | L60 | S58-L60 PolarHBondContact O-N 3.25Å; S58-L60 VanDerWaalsContact O-N 3.16Å |
| 59 | E | 93.3 | Very high | 87.7 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | trans | -85.4 | 91.9 | -173.8 | -66.2 | -59.6 | 134.9 | 0 | 0 | 110.7 | ||||
| 60 | L | 94.4 | Very high | 85.6 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.3 | -176.2 | -57 | -176.6 | 0 | 0 | 0 | 110.9 | F15 I35 T37 I43 V52 H56 S58 | F15-L60 HydrophobicContact CE2-CD1 4.09Å; F15-L60 HydrophobicContact CZ-CD1 3.57Å; I35-L60 HydrophobicContact CG2-CB 3.72Å; I35-L60 HydrophobicContact CG2-CD1 4.01Å; I35-L60 HydrophobicContact CG2-CG 4.31Å; T37-L60 HydrophobicContact CG2-CD2 4.28Å; I43-L60 HydrophobicContact CD1-CD1 4.16Å; I43-L60 HydrophobicContact CD1-CD2 3.45Å; I43-L60 VanDerWaalsContact CD1-CD2 3.45Å; I43-L60 HydrophobicContact CD1-CG 4.43Å; V52-L60 HydrophobicContact CG1-CD1 3.79Å; H56-L60 HydrophobicContact CB-CD2 4.15Å; S58-L60 PolarHBondContact O-N 3.25Å; S58-L60 VanDerWaalsContact O-N 3.16Å |
| 61 | R | 93.3 | Very high | 83.5 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 45% | 0.445 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132 | 179.8 | -58.9 | -174.2 | -177.6 | -164.5 | 5.3 | 111.1 | I35 I36 D38 | I35-R61 CarbonylContact C-O 3.5Å; I35-R61 VanDerWaalsContact CA-O 3.3Å; I35-R61 WeakPolarHBondContact CA-O 3.43Å; I36-R61 HydrophobicContact CD1-CB 4.49Å; I36-R61 HydrophobicContact CG1-CB 3.88Å; I36-R61 PolarHBondContact N-O 2.81Å; I36-R61 PolarHBondContact O-N 2.91Å; D38-R61 IonicContact OD1-CZ 3.74Å; D38-R61 VanDerWaalsContact OD1-CZ 3.3Å; D38-R61 IonicContact OD1-NE 3.84Å; D38-R61 PolarHBondContact OD1-NE 2.96Å; D38-R61 IonicContact OD1-NH2 2.83Å; D38-R61 PolarHBondContact OD1-NH2 3.36Å; D38-R61 VanDerWaalsContact OD1-NH2 3.15Å; D38-R61 IonicContact OD2-CZ 3.3Å; D38-R61 IonicContact OD2-NE 2.66Å; D38-R61 IonicContact OD2-NH2 3.15Å; D38-R61 PolarHBondContact OD2-NH2 2.92Å |
| 62 | L | 92.9 | Very high | 81.3 | Confident | 42 Ų | 42 | 95.6 Ų | 95.6 | 22% | 0.22 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.6 | 167.8 | -163.9 | 75.5 | 0 | 0 | 0 | 109.5 | L19 A22 A23 F26 V28 A34 I35 | L19-L62 HydrophobicContact CG-CD1 4.5Å; A22-L62 HydrophobicContact CB-CD1 4.49Å; A23-L62 HydrophobicContact CB-CD2 4.17Å; F26-L62 HydrophobicContact CB-CD2 4.41Å; F26-L62 HydrophobicContact CD2-CB 4.46Å; F26-L62 HydrophobicContact CD2-CD2 3.84Å; V28-L62 HydrophobicContact CG2-CD2 3.57Å; A34-L62 CarbonylContact O-C 3.49Å; A34-L62 WeakPolarHBondContact O-CA 3.47Å; I35-L62 HydrophobicContact CD1-CD1 4.42Å; I35-L62 HydrophobicContact CG1-CD1 3.8Å |
| 63 | I | 90.7 | Very high | 79.1 | Confident | 29 Ų | 29 | 104.1 Ų | 104.1 | 15% | 0.149 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.4 | 174.4 | 63.5 | 161.5 | 0 | 0 | 0 | 110.7 | S33 A34 I36 V68 | S33-I63 CarbonylContact C-O 3.49Å; S33-I63 WeakPolarHBondContact CA-O 3.12Å; A34-I63 HydrophobicContact CB-CG1 4.12Å; A34-I63 PolarHBondContact N-O 3.46Å; A34-I63 PolarHBondContact O-N 3.36Å; I36-I63 HydrophobicContact CD1-CD1 4.19Å; I36-I63 HydrophobicContact CD1-CG2 3.69Å; I36-I63 HydrophobicContact CG1-CD1 4.49Å; I36-I63 HydrophobicContact CG1-CG2 4Å; I36-I63 HydrophobicContact CG2-CD1 3.5Å; I36-I63 VanDerWaalsContact CG2-CD1 3.5Å; I36-I63 HydrophobicContact CG2-CG1 3.92Å; I63-V68 HydrophobicContact CD1-CB 4.22Å; I63-V68 HydrophobicContact CD1-CG2 3.54Å; I63-V68 HydrophobicContact CG1-CG2 4.14Å |
| 64 | P | 88.5 | Confident | 76.7 | Confident | 45 Ų | 45 | 100.3 Ų | 100.3 | 29% | 0.292 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.2 | 163.2 | -19.3 | 31.7 | 0 | 0 | 0 | 110.7 | T32 D66 R67 | T32-P64 CarbonylContact O-C 3.4Å; T32-P64 WeakPolarHBondContact O-CA 3.34Å; P64-D66 PolarHBondContact O-N 3.3Å; P64-R67 HydrophobicContact CB-CG 4.3Å; P64-R67 HydrophobicContact CG-CG 4.45Å; P64-R67 WeakPolarHBondContact O-CB 3.35Å; P64-R67 PolarHBondContact O-N 3.2Å |
| 65 | R | 81.2 | Confident | 74.2 | Confident | 131 Ų | 131 | 97.6 Ų | 97.6 | 49% | 0.494 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -55.5 | -36.5 | 178.2 | -83.2 | -178.7 | 179.4 | -166 | -4.8 | 112.3 | E31 T32 S33 A34 R67 V68 | E31-R65 WeakPolarHBondContact O-CD 3.3Å; E31-R65 PolarHBondContact O-NE 2.97Å; E31-R65 PolarHBondContact O-NH1 3.41Å; T32-R65 PolarHBondContact O-N 3.4Å; S33-R65 WeakPolarHBondContact O-CG 3.42Å; S33-R65 PolarHBondContact O-NE 3.24Å; A34-R65 HydrophobicContact CB-CG 3.88Å; R65-R67 PolarHBondContact O-N 3.1Å; R65-V68 WeakPolarHBondContact O-CB 3.37Å; R65-V68 WeakPolarHBondContact O-CG2 3.32Å; R65-V68 PolarHBondContact O-N 2.95Å |
| 66 | D | 72 | Confident | 71.9 | Confident | 125 Ų | 125 | 96.6 Ų | 96.6 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -61.6 | -12.5 | 175.9 | -4.2 | -62.6 | 0 | 0 | 0 | 113.2 | P64 | P64-D66 PolarHBondContact O-N 3.3Š|
| 67 | R | 62.5 | Low | 69.4 | Low | 96 Ų | 96 | 100 Ų | 100 | 36% | 0.362 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -106.5 | -0.2 | 175.9 | -56.9 | -172.1 | -171.4 | 171.6 | 9 | 113.6 | P64 R65 G69 H70 F73 | P64-R67 HydrophobicContact CB-CG 4.3Å; P64-R67 HydrophobicContact CG-CG 4.45Å; P64-R67 WeakPolarHBondContact O-CB 3.35Å; P64-R67 PolarHBondContact O-N 3.2Å; R65-R67 PolarHBondContact O-N 3.1Å; R67-G69 PolarHBondContact O-N 3.08Å; R67-H70 PolarHBondContact O-N 3.37Å; R67-F73 PolarHBondContact NH1-O 2.74Å |
| 68 | V | 56.8 | Low | 67 | Low | 64 Ų | 64 | 107.7 Ų | 107.7 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | 122.8 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | A34 I63 R65 H70 | A34-V68 HydrophobicContact CB-CG2 3.42Å; A34-V68 VanDerWaalsContact CB-CG2 3.42Å; I63-V68 HydrophobicContact CD1-CB 4.22Å; I63-V68 HydrophobicContact CD1-CG2 3.54Å; I63-V68 HydrophobicContact CG1-CG2 4.14Å; R65-V68 WeakPolarHBondContact O-CB 3.37Å; R65-V68 WeakPolarHBondContact O-CG2 3.32Å; R65-V68 PolarHBondContact O-N 2.95Å; V68-H70 VanDerWaalsContact C-N 3.34Å; V68-H70 PolarHBondContact O-N 3.29Å |
| 69 | G | 56.7 | Low | 64.5 | Low | 79 Ų | 79 | 115 Ų | 115 | 81% | 0.814 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.7 | -1.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | R67 | R67-G69 PolarHBondContact O-N 3.08Š|
| 70 | H | 52.8 | Low | 62 | Low | 150 Ų | 150 | 116.2 Ų | 116.2 | 69% | 0.694 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -104 | 134.9 | 167.4 | -77.5 | 59.8 | 0 | 0 | 0 | 109.1 | R67 V68 | R67-H70 PolarHBondContact O-N 3.37Å; V68-H70 VanDerWaalsContact C-N 3.34Å; V68-H70 PolarHBondContact O-N 3.29Å |
| 71 | R | 54.5 | Low | 59.8 | Low | 229 Ų | 229 | 120.5 Ų | 120.5 | 86% | 0.864 | 61% | 0.609 | S | S | * | * | trans | -41.5 | 133.8 | 176.6 | -73 | -167 | -72.2 | -157 | -3.4 | 110.1 | F73 | R71-F73 PolarHBondContact O-N 3.23Š| ||
| 72 | P | 50.4 | Low | 57.6 | Low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 62% | 0.622 | S | S | * | * | trans | -62.4 | 100.5 | -170.1 | 24.1 | -32.7 | 0 | 0 | 0 | 110.2 | G74 | P72-G74 PolarHBondContact O-N 3.3Š| ||
| 73 | F | 49.6 | Very low | 55 | Low | 180 Ų | 180 | 122.8 Ų | 122.8 | 79% | 0.789 | 65% | 0.649 | S | S | * | * | trans | -70.2 | 81.8 | 141.3 | -84.3 | -82.3 | 0 | 0 | 0 | 105.7 | R67 R71 | R67-F73 PolarHBondContact NH1-O 2.74Å; R71-F73 PolarHBondContact O-N 3.23Å | ||
| 74 | G | 45.2 | Very low | 52.7 | Low | 47 Ų | 47 | 127 Ų | 127 | 49% | 0.485 | 68% | 0.681 | S | S | . | * | trans | -52.7 | 144.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | P72 S76 | P72-G74 PolarHBondContact O-N 3.3Å; G74-S76 PolarHBondContact O-N 3.39Å | ||
| 75 | T | 45.2 | Very low | 50.7 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -58.3 | 87.2 | 168.5 | -24.5 | 0 | 0 | 0 | 0 | 107.9 | L77 | T75-L77 HydrophobicContact CG2-CB 4.25Å; T75-L77 PolarHBondContact O-N 3.28Å | ||
| 76 | S | 46.5 | Very low | 49.5 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -77.1 | 73.6 | 158.2 | -71.6 | 0 | 0 | 0 | 0 | 106.2 | G74 R78 | G74-S76 PolarHBondContact O-N 3.39Å; S76-R78 PolarHBondContact O-N 3.04Å | ||
| 77 | L | 42.9 | Very low | 48.4 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | trans | -76.2 | 109.1 | 170.6 | -167.8 | 68.7 | 0 | 0 | 0 | 107.5 | T75 | T75-L77 HydrophobicContact CG2-CB 4.25Å; T75-L77 PolarHBondContact O-N 3.28Å | ||
| 78 | R | 44.5 | Very low | 47.6 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 76.1 | 106.8 | 159.1 | -64.1 | 168.2 | -174.1 | -128.8 | 1.5 | 117 | S76 | S76-R78 PolarHBondContact O-N 3.04Š| ||
| 79 | R | 41.7 | Very low | 47.1 | Very low | 237 Ų | 237 | 146.8 Ų | 146.8 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | -81.5 | 108.7 | 120.9 | -98.5 | -147.3 | -90.3 | -164.9 | -5.7 | 108 | N81 | R79-N81 PolarHBondContact O-N 2.98Š| |||
| 80 | L | 40.1 | Very low | 46.6 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -65.4 | 117.1 | 148.2 | -84 | 153.9 | 0 | 0 | 0 | 106.2 | ||||
| 81 | N | 48.5 | Very low | 46.2 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -146.5 | 110.8 | 152.7 | -146 | 16.8 | 0 | 0 | 0 | 110.4 | R79 | R79-N81 PolarHBondContact O-N 2.98Š| ||
| 82 | A | 47.5 | Very low | 45.6 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 56.2 | 132.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 83 | P | 37 | Very low | 45.3 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -78 | 162.9 | 166.9 | 34.3 | -32.2 | 0 | 0 | 0 | 111.8 | ||||
| 84 | S | 43.1 | Very low | 45 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 95.2 | 112.4 | 155.3 | 71.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 85 | R | 45.6 | Very low | 44.9 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | -139.5 | 153.4 | 124 | -110.4 | -177.2 | -178 | -143.8 | -0.4 | 107.6 | |||||
| 86 | P | 56.7 | Low | 44.9 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 100% | 1.292 | 83% | 0.834 | S | S | * | * | trans | -57.5 | 0 | -150.9 | 24.8 | -36 | 0 | 0 | 0 | 114.9 |
Retrieved 86 of 86 residues in 22.4 ms
(Link to these results)