| 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 | V | 90.6 | Very high | 95.4 | Very high | 204 Ų | 204 | 108.4 Ų | 108.4 | 100% | 1.236 | 67% | 0.674 | S | S | * | * | 0 | 137 | 0 | -180 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2 | G | 93.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 106.2 Ų | 106.2 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -102.3 | 138.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | L | 94.8 | Very high | 95.4 | Very high | 107 Ų | 107 | 104.5 Ų | 104.5 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | trans | -109.6 | 115.8 | 175.3 | -174.6 | 74.8 | 0 | 0 | 0 | 109.8 | K11 L14 | L3-K11 HydrophobicContact CD2-CB 4.12Å; L3-K11 HydrophobicContact CD2-CG 4Å; L3-K11 HydrophobicContact CG-CG 4.27Å; L3-L14 HydrophobicContact CD2-CD2 3.7Å | ||
| 4 | L | 95.9 | Very high | 95.4 | Very high | 167 Ų | 167 | 101.9 Ų | 101.9 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | -117.7 | 151.9 | -176.3 | -63.7 | 163.3 | 0 | 0 | 0 | 110.6 | ||||
| 5 | G | 96.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 101.9 Ų | 101.9 | 46% | 0.464 | 63% | 0.626 | S | S | . | * | trans | 168.3 | 161.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K11 | G5-K11 WeakPolarHBondContact O-CE 3.44Å; G5-K11 PolarHBondContact O-NZ 3.42Å | ||
| 6 | R | 97.3 | Very high | 95.3 | Very high | 220 Ų | 220 | 97.9 Ų | 97.9 | 83% | 0.83 | 60% | 0.604 | S | S | * | * | trans | -60.4 | 161.6 | 177 | -65.1 | -175 | -70 | -176.4 | -1.6 | 112.1 | G8 S9 K11 | R6-G8 PolarHBondContact O-N 2.89Å; R6-S9 WeakPolarHBondContact O-CB 3.39Å; R6-S9 PolarHBondContact O-N 2.8Å; R6-S9 VanDerWaalsContact O-N 3.13Å; R6-S9 PolarHBondContact O-OG 2.63Å; R6-K11 PolarHBondContact O-NZ 3.34Å | ||
| 7 | T | 96.4 | Very high | 95.3 | Very high | 147 Ų | 147 | 92.9 Ų | 92.9 | 90% | 0.902 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 139.2 | 169.5 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | S9 | T7-S9 VanDerWaalsContact C-N 3.29Å; T7-S9 PolarHBondContact O-N 3Å |
| 8 | G | 95.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 91.9 Ų | 91.9 | 83% | 0.825 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.8 | -2.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R6 G10 | R6-G8 PolarHBondContact O-N 2.89Å; G8-G10 PolarHBondContact O-N 3.14Å |
| 9 | S | 96.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 88.7 Ų | 88.7 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -72.1 | 6.4 | 179.7 | 76.9 | 0 | 0 | 0 | 0 | 115.2 | R6 T7 K11 | R6-S9 WeakPolarHBondContact O-CB 3.39Å; R6-S9 PolarHBondContact O-N 2.8Å; R6-S9 VanDerWaalsContact O-N 3.13Å; R6-S9 PolarHBondContact O-OG 2.63Å; T7-S9 VanDerWaalsContact C-N 3.29Å; T7-S9 PolarHBondContact O-N 3Å; S9-K11 PolarHBondContact OG-NZ 3.37Å |
| 10 | G | 95.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 87.8 Ų | 87.8 | 30% | 0.299 | 53% | 0.526 | S | S | . | . | S | Bend | trans | 84.6 | 9.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | G8 S12 T13 L14 | G8-G10 PolarHBondContact O-N 3.14Å; G10-S12 PolarHBondContact O-N 3.29Å; G10-T13 CarbonylContact O-C 3.58Å; G10-T13 WeakPolarHBondContact O-CB 3.15Å; G10-T13 PolarHBondContact O-N 3.25Å; G10-T13 VanDerWaalsContact O-N 3.16Å; G10-L14 PolarHBondContact O-N 3.1Å |
| 11 | K | 96.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 88.5 Ų | 88.5 | 25% | 0.248 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 178.9 | -61.4 | 177.7 | -60.4 | -67.7 | 0 | 112.7 | L3 G5 R6 S9 T13 L14 L15 | L3-K11 HydrophobicContact CD2-CB 4.12Å; L3-K11 HydrophobicContact CD2-CG 4Å; L3-K11 HydrophobicContact CG-CG 4.27Å; G5-K11 WeakPolarHBondContact O-CE 3.44Å; G5-K11 PolarHBondContact O-NZ 3.42Å; R6-K11 PolarHBondContact O-NZ 3.34Å; S9-K11 PolarHBondContact OG-NZ 3.37Å; K11-T13 VanDerWaalsContact C-N 3.31Å; K11-T13 PolarHBondContact O-N 2.98Å; K11-L14 PolarHBondContact O-N 3.04Å; K11-L15 PolarHBondContact O-N 2.68Å |
| 12 | S | 95.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 81.9 Ų | 81.9 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.4 | -34.2 | 176.8 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | G10 L14 L15 S16 | G10-S12 PolarHBondContact O-N 3.29Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.24Å; S12-L15 PolarHBondContact O-N 2.95Å; S12-S16 PolarHBondContact O-N 3.31Å; S12-S16 PolarHBondContact O-OG 2.76Å |
| 13 | T | 95.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 86.8 Ų | 86.8 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 173.8 | -47.5 | 0 | 0 | 0 | 0 | 111.4 | G10 K11 S16 A17 L22 | G10-T13 CarbonylContact O-C 3.58Å; G10-T13 WeakPolarHBondContact O-CB 3.15Å; G10-T13 PolarHBondContact O-N 3.25Å; G10-T13 VanDerWaalsContact O-N 3.16Å; K11-T13 VanDerWaalsContact C-N 3.31Å; K11-T13 PolarHBondContact O-N 2.98Å; T13-S16 PolarHBondContact O-N 3.08Å; T13-A17 WeakPolarHBondContact O-CB 3.44Å; T13-A17 PolarHBondContact O-N 2.81Å; T13-L22 HydrophobicContact CG2-CD2 3.86Å |
| 14 | L | 95.1 | Very high | 95.2 | Very high | 68 Ų | 68 | 84.3 Ų | 84.3 | 36% | 0.356 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.4 | -175.6 | 64.9 | 0 | 0 | 0 | 111.8 | L3 G10 K11 S12 S16 A17 F18 | L3-L14 HydrophobicContact CD2-CD2 3.7Å; G10-L14 PolarHBondContact O-N 3.1Å; K11-L14 PolarHBondContact O-N 3.04Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 3.24Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.19Å; L14-A17 WeakPolarHBondContact O-CB 3.28Å; L14-A17 PolarHBondContact O-N 3.18Å; L14-A17 VanDerWaalsContact O-N 3.16Å; L14-F18 HydrophobicContact CD1-CD1 4.47Å; L14-F18 HydrophobicContact CD1-CE1 3.81Å; L14-F18 HydrophobicContact CD1-CE2 4.43Å; L14-F18 HydrophobicContact CD1-CZ 3.79Å; L14-F18 HydrophobicContact CD2-CE2 4.24Å; L14-F18 HydrophobicContact CD2-CZ 4.05Å; L14-F18 HydrophobicContact CG-CE1 4.23Å; L14-F18 HydrophobicContact CG-CE2 3.94Å; L14-F18 HydrophobicContact CG-CZ 3.78Å; L14-F18 WeakPolarHBondContact O-CG 3.31Å; L14-F18 PolarHBondContact O-N 3.5Å |
| 15 | L | 94.5 | Very high | 95.1 | Very high | 102 Ų | 102 | 85.9 Ų | 85.9 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.7 | -68.1 | 174.9 | 0 | 0 | 0 | 111.3 | K11 S12 A17 F18 L19 | K11-L15 PolarHBondContact O-N 2.68Å; S12-L15 PolarHBondContact O-N 2.95Å; L15-A17 VanDerWaalsContact C-N 3.31Å; L15-A17 PolarHBondContact O-N 3.5Å; L15-F18 PolarHBondContact O-N 2.96Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-L19 VanDerWaalsContact O-N 3.08Å |
| 16 | S | 94.8 | Very high | 94.9 | Very high | 38 Ų | 38 | 86.7 Ų | 86.7 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 175.6 | -66 | 0 | 0 | 0 | 0 | 113 | S12 T13 L14 L19 R20 L21 | S12-S16 PolarHBondContact O-N 3.31Å; S12-S16 PolarHBondContact O-OG 2.76Å; T13-S16 PolarHBondContact O-N 3.08Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.19Å; S16-L19 PolarHBondContact O-N 3.49Å; S16-R20 PolarHBondContact O-N 2.96Å; S16-R20 VanDerWaalsContact O-N 3.14Å; S16-L21 PolarHBondContact O-N 3.35Å |
| 17 | A | 94.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 81.6 Ų | 81.6 | 12% | 0.116 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65 | -45.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T13 L14 L15 L19 R20 L22 T24 | T13-A17 WeakPolarHBondContact O-CB 3.44Å; T13-A17 PolarHBondContact O-N 2.81Å; L14-A17 WeakPolarHBondContact O-CB 3.28Å; L14-A17 PolarHBondContact O-N 3.18Å; L14-A17 VanDerWaalsContact O-N 3.16Å; L15-A17 VanDerWaalsContact C-N 3.31Å; L15-A17 PolarHBondContact O-N 3.5Å; A17-L19 VanDerWaalsContact C-N 3.28Å; A17-L19 PolarHBondContact O-N 3.28Å; A17-R20 WeakPolarHBondContact O-CA 3.12Å; A17-R20 PolarHBondContact O-N 3.28Å; A17-L22 HydrophobicContact CB-CD1 4.17Å; A17-T24 HydrophobicContact CB-CG2 3.74Å |
| 18 | F | 94.7 | Very high | 94.7 | Very high | 75 Ų | 75 | 76.7 Ų | 76.7 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 175.5 | -66.1 | -20.7 | 0 | 0 | 0 | 112.6 | L14 L15 R20 I28 W43 F47 | L14-F18 HydrophobicContact CD1-CD1 4.47Å; L14-F18 HydrophobicContact CD1-CE1 3.81Å; L14-F18 HydrophobicContact CD1-CE2 4.43Å; L14-F18 HydrophobicContact CD1-CZ 3.79Å; L14-F18 HydrophobicContact CD2-CE2 4.24Å; L14-F18 HydrophobicContact CD2-CZ 4.05Å; L14-F18 HydrophobicContact CG-CE1 4.23Å; L14-F18 HydrophobicContact CG-CE2 3.94Å; L14-F18 HydrophobicContact CG-CZ 3.78Å; L14-F18 WeakPolarHBondContact O-CG 3.31Å; L14-F18 PolarHBondContact O-N 3.5Å; L15-F18 PolarHBondContact O-N 2.96Å; F18-R20 PolarHBondContact O-N 3.04Å; F18-I28 HydrophobicContact CD1-CD1 3.56Å; F18-I28 HydrophobicContact CE1-CD1 3.9Å; F18-W43 PolarHBondContact O-NE1 2.8Å; F18-F47 HydrophobicContact CB-CE1 4.07Å; F18-F47 HydrophobicContact CB-CZ 4.26Å |
| 19 | L | 94.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 78.1 Ų | 78.1 | 16% | 0.157 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.3 | 176 | -62.3 | 174.8 | 0 | 0 | 0 | 113.6 | L15 S16 A17 L21 R44 F47 V49 | L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 2.77Å; L15-L19 VanDerWaalsContact O-N 3.08Å; S16-L19 PolarHBondContact O-N 3.49Å; A17-L19 VanDerWaalsContact C-N 3.28Å; A17-L19 PolarHBondContact O-N 3.28Å; L19-L21 HydrophobicContact CB-CD1 3.87Å; L19-L21 HydrophobicContact CB-CG 3.78Å; L19-L21 HydrophobicContact CD1-CD1 3.92Å; L19-L21 PolarHBondContact O-N 3.18Å; L19-R44 PolarHBondContact O-NE 3.2Å; L19-R44 PolarHBondContact O-NH2 3.45Å; L19-F47 HydrophobicContact CD2-CB 3.74Å; L19-F47 HydrophobicContact CD2-CD1 4.49Å; L19-F47 HydrophobicContact CD2-CD2 4.08Å; L19-F47 HydrophobicContact CD2-CG 3.85Å; L19-V49 HydrophobicContact CD1-CG2 3.91Å; L19-V49 HydrophobicContact CD2-CG2 3.9Å; L19-V49 HydrophobicContact CG-CG2 4.4Å |
| 20 | R | 94.1 | Very high | 94.7 | Very high | 70 Ų | 70 | 77.6 Ų | 77.6 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 48.1 | -174 | -60.4 | 177.4 | 77.1 | 167.7 | 16.5 | 111.3 | S16 A17 F18 W35 D36 L40 R44 | S16-R20 PolarHBondContact O-N 2.96Å; S16-R20 VanDerWaalsContact O-N 3.14Å; A17-R20 WeakPolarHBondContact O-CA 3.12Å; A17-R20 PolarHBondContact O-N 3.28Å; F18-R20 PolarHBondContact O-N 3.04Å; R20-W35 HydrophobicContact CG-CE3 3.68Å; R20-W35 HydrophobicContact CG-CZ3 3.8Å; R20-W35 PolarHBondContact NH1-O 3.45Å; R20-D36 IonicContact CZ-OD1 3.86Å; R20-D36 IonicContact NH2-OD1 3.04Å; R20-D36 PolarHBondContact NH2-OD1 2.86Å; R20-L40 HydrophobicContact CB-CD1 3.59Å; R20-L40 HydrophobicContact CG-CD1 4.31Å; R20-R44 PolarHBondContact O-NH2 3.48Å |
| 21 | L | 94.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 84 Ų | 84 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | trans | -92.1 | -7.2 | 174.8 | -65.5 | 172.9 | 0 | 0 | 0 | 112.4 | S16 L19 | S16-L21 PolarHBondContact O-N 3.35Å; L19-L21 HydrophobicContact CB-CD1 3.87Å; L19-L21 HydrophobicContact CB-CG 3.78Å; L19-L21 HydrophobicContact CD1-CD1 3.92Å; L19-L21 PolarHBondContact O-N 3.18Å | ||
| 22 | L | 94.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 84.2 Ų | 84.2 | 34% | 0.335 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -138.4 | 158.4 | 176.8 | 56.1 | 96.7 | 0 | 0 | 0 | 109.4 | T13 A17 T24 | T13-L22 HydrophobicContact CG2-CD2 3.86Å; A17-L22 HydrophobicContact CB-CD1 4.17Å; L22-T24 HydrophobicContact CD1-CG2 3.41Å; L22-T24 VanDerWaalsContact CD1-CG2 3.41Å; L22-T24 HydrophobicContact CG-CG2 4.41Å |
| 23 | N | 93.3 | Very high | 94.7 | Very high | 171 Ų | 171 | 83.4 Ų | 83.4 | 91% | 0.914 | 46% | 0.462 | S | S | * | . | trans | -71.1 | 130.7 | 175.3 | -67.8 | -21.9 | 0 | 0 | 0 | 109.7 | ||||
| 24 | T | 92.9 | Very high | 94.7 | Very high | 56 Ų | 56 | 80.1 Ų | 80.1 | 34% | 0.344 | 44% | 0.443 | S | S | . | . | trans | -132.8 | 151.2 | -175.5 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | A17 L22 W35 | A17-T24 HydrophobicContact CB-CG2 3.74Å; L22-T24 HydrophobicContact CD1-CG2 3.41Å; L22-T24 VanDerWaalsContact CD1-CG2 3.41Å; L22-T24 HydrophobicContact CG-CG2 4.41Å; T24-W35 WeakPolarHBondContact OG1-CH2 3.44Å | ||
| 25 | E | 94.4 | Very high | 94.7 | Very high | 199 Ų | 199 | 77.3 Ų | 77.3 | 93% | 0.93 | 43% | 0.428 | S | S | * | . | trans | -106.7 | 153.3 | 167.9 | -65 | 177 | -171.4 | 0 | 0 | 109.8 | ||||
| 26 | G | 93.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 77.4 Ų | 77.4 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 100.5 | -164.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W35 | G26-W35 WeakPolarHBondContact O-CZ2 3.43Š|
| 27 | E | 93.8 | Very high | 94.8 | Very high | 114 Ų | 114 | 79.4 Ų | 79.4 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | trans | -135.1 | 141.5 | -175.5 | -174.3 | 177.8 | -170.7 | 0 | 0 | 111 | Q29 S34 | E27-Q29 VanDerWaalsContact CD-NE2 3.33Å; E27-Q29 HydrophobicContact CG-CG 4.15Å; E27-Q29 PolarHBondContact OE1-NE2 3.08Å; E27-S34 WeakPolarHBondContact OE1-CB 3.48Å; E27-S34 PolarHBondContact OE1-OG 3.14Å | ||
| 28 | I | 95.2 | Very high | 94.8 | Very high | 43 Ų | 43 | 81.2 Ų | 81.2 | 22% | 0.221 | 45% | 0.45 | C | S | . | . | trans | -122.9 | 131.3 | 168.7 | -52.3 | -175.8 | 0 | 0 | 0 | 108.5 | F18 W35 W43 | F18-I28 HydrophobicContact CD1-CD1 3.56Å; F18-I28 HydrophobicContact CE1-CD1 3.9Å; I28-W35 HydrophobicContact CB-CD2 4.05Å; I28-W35 HydrophobicContact CB-CE3 3.96Å; I28-W35 HydrophobicContact CB-CG 4.47Å; I28-W35 HydrophobicContact CB-CZ3 4.29Å; I28-W35 HydrophobicContact CD1-CE3 3.92Å; I28-W35 HydrophobicContact CD1-CH2 3.91Å; I28-W35 HydrophobicContact CD1-CZ3 3.46Å; I28-W35 VanDerWaalsContact CD1-CZ3 3.46Å; I28-W35 HydrophobicContact CG1-CD2 4.28Å; I28-W35 HydrophobicContact CG1-CE3 3.95Å; I28-W35 HydrophobicContact CG1-CH2 3.88Å; I28-W35 HydrophobicContact CG1-CZ2 4.23Å; I28-W35 HydrophobicContact CG1-CZ3 3.74Å; I28-W35 PolarHBondContact O-N 3.34Å; I28-W43 HydrophobicContact CB-CH2 4.08Å; I28-W43 HydrophobicContact CB-CZ2 4.12Å; I28-W43 HydrophobicContact CG2-CH2 3.74Å; I28-W43 HydrophobicContact CG2-CZ2 3.87Å | ||
| 29 | Q | 96.3 | Very high | 94.9 | Very high | 111 Ų | 111 | 81.4 Ų | 81.4 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136 | 174.9 | -60.8 | -177.9 | -5.2 | 0 | 0 | 110 | E27 V33 | E27-Q29 VanDerWaalsContact CD-NE2 3.33Å; E27-Q29 HydrophobicContact CG-CG 4.15Å; E27-Q29 PolarHBondContact OE1-NE2 3.08Å; Q29-V33 VanDerWaalsContact CA-O 3.28Å; Q29-V33 WeakPolarHBondContact CA-O 3.27Å |
| 30 | I | 95.4 | Very high | 95 | Very high | 57 Ų | 57 | 83.4 Ų | 83.4 | 29% | 0.292 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 170.8 | -64.8 | 171.5 | 0 | 0 | 0 | 106.8 | G32 V33 W43 V46 F47 | I30-G32 PolarHBondContact O-N 3.42Å; I30-G32 VanDerWaalsContact O-N 3.14Å; I30-V33 PolarHBondContact N-O 3.29Å; I30-V33 WeakPolarHBondContact O-CB 3.29Å; I30-V33 PolarHBondContact O-N 3.33Å; I30-W43 HydrophobicContact CB-CH2 4.43Å; I30-W43 HydrophobicContact CB-CZ3 4.32Å; I30-W43 HydrophobicContact CD1-CE3 4.45Å; I30-W43 HydrophobicContact CD1-CH2 3.43Å; I30-W43 VanDerWaalsContact CD1-CH2 3.43Å; I30-W43 HydrophobicContact CD1-CZ2 3.89Å; I30-W43 HydrophobicContact CD1-CZ3 3.74Å; I30-W43 HydrophobicContact CG1-CH2 3.61Å; I30-W43 HydrophobicContact CG1-CZ2 4.44Å; I30-W43 HydrophobicContact CG1-CZ3 3.96Å; I30-V46 HydrophobicContact CD1-CG2 3.87Å; I30-F47 HydrophobicContact CD1-CE1 4.49Å; I30-F47 HydrophobicContact CD1-CE2 4.25Å; I30-F47 HydrophobicContact CD1-CZ 3.78Å |
| 31 | D | 95.5 | Very high | 95.1 | Very high | 162 Ų | 162 | 86.5 Ų | 86.5 | 87% | 0.866 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.6 | -177.5 | -55.7 | -37.6 | 0 | 0 | 0 | 113.5 | V33 | D31-V33 VanDerWaalsContact C-N 3.28Å; D31-V33 PolarHBondContact O-N 2.99Å |
| 32 | G | 96.3 | Very high | 95.2 | Very high | 62 Ų | 62 | 86.5 Ų | 86.5 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I30 | I30-G32 PolarHBondContact O-N 3.42Å; I30-G32 VanDerWaalsContact O-N 3.14Å |
| 33 | V | 95.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 83.6 Ų | 83.6 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Q29 I30 D31 S37 I38 | Q29-V33 VanDerWaalsContact CA-O 3.28Å; Q29-V33 WeakPolarHBondContact CA-O 3.27Å; I30-V33 PolarHBondContact N-O 3.29Å; I30-V33 WeakPolarHBondContact O-CB 3.29Å; I30-V33 PolarHBondContact O-N 3.33Å; D31-V33 VanDerWaalsContact C-N 3.28Å; D31-V33 PolarHBondContact O-N 2.99Å; V33-S37 WeakPolarHBondContact CG1-OG 3.5Å; V33-I38 HydrophobicContact CG1-CG2 3.92Å |
| 34 | S | 95.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 80 Ų | 80 | 11% | 0.112 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 139.7 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | E27 D36 S37 | E27-S34 WeakPolarHBondContact OE1-CB 3.48Å; E27-S34 PolarHBondContact OE1-OG 3.14Å; S34-D36 PolarHBondContact O-N 3.16Å; S34-D36 VanDerWaalsContact O-N 3.1Å; S34-S37 WeakPolarHBondContact O-CB 3.16Å; S34-S37 PolarHBondContact O-N 2.95Å; S34-S37 PolarHBondContact O-OG 2.84Å |
| 35 | W | 95.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 84.6 Ų | 84.6 | 3% | 0.03 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.7 | 174.7 | 65.8 | -8.8 | 0 | 0 | 0 | 114.7 | R20 T24 G26 I28 W43 | R20-W35 HydrophobicContact CG-CE3 3.68Å; R20-W35 HydrophobicContact CG-CZ3 3.8Å; R20-W35 PolarHBondContact NH1-O 3.45Å; T24-W35 WeakPolarHBondContact OG1-CH2 3.44Å; G26-W35 WeakPolarHBondContact O-CZ2 3.43Å; I28-W35 HydrophobicContact CB-CD2 4.05Å; I28-W35 HydrophobicContact CB-CE3 3.96Å; I28-W35 HydrophobicContact CB-CG 4.47Å; I28-W35 HydrophobicContact CB-CZ3 4.29Å; I28-W35 HydrophobicContact CD1-CE3 3.92Å; I28-W35 HydrophobicContact CD1-CH2 3.91Å; I28-W35 HydrophobicContact CD1-CZ3 3.46Å; I28-W35 VanDerWaalsContact CD1-CZ3 3.46Å; I28-W35 HydrophobicContact CG1-CD2 4.28Å; I28-W35 HydrophobicContact CG1-CE3 3.95Å; I28-W35 HydrophobicContact CG1-CH2 3.88Å; I28-W35 HydrophobicContact CG1-CZ2 4.23Å; I28-W35 HydrophobicContact CG1-CZ3 3.74Å; I28-W35 PolarHBondContact O-N 3.34Å; W35-W43 HydrophobicContact CB-CD2 3.68Å; W35-W43 HydrophobicContact CB-CE3 3.54Å; W35-W43 HydrophobicContact CB-CG 4.47Å; W35-W43 HydrophobicContact CB-CH2 3.69Å; W35-W43 HydrophobicContact CB-CZ2 3.83Å; W35-W43 HydrophobicContact CB-CZ3 3.55Å; W35-W43 HydrophobicContact CE3-CZ2 4.13Å |
| 36 | D | 94.5 | Very high | 95.6 | Very high | 104 Ų | 104 | 79.6 Ų | 79.6 | 56% | 0.556 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -12.9 | 178.1 | -67.2 | -40.4 | 0 | 0 | 0 | 111.7 | R20 S34 | R20-D36 IonicContact CZ-OD1 3.86Å; R20-D36 IonicContact NH2-OD1 3.04Å; R20-D36 PolarHBondContact NH2-OD1 2.86Å; S34-D36 PolarHBondContact O-N 3.16Å; S34-D36 VanDerWaalsContact O-N 3.1Å |
| 37 | S | 96.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 79.6 Ų | 79.6 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -85.5 | -7.8 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | V33 S34 | V33-S37 WeakPolarHBondContact CG1-OG 3.5Å; S34-S37 WeakPolarHBondContact O-CB 3.16Å; S34-S37 PolarHBondContact O-N 2.95Å; S34-S37 PolarHBondContact O-OG 2.84Å |
| 38 | I | 96 | Very high | 95.7 | Very high | 52 Ų | 52 | 78.1 Ų | 78.1 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -133.6 | 164.2 | -177.7 | 68.2 | 172.8 | 0 | 0 | 0 | 112.4 | V33 Q42 W43 | V33-I38 HydrophobicContact CG1-CG2 3.92Å; I38-Q42 HydrophobicContact CB-CB 4.44Å; I38-Q42 HydrophobicContact CD1-CB 4.13Å; I38-W43 HydrophobicContact CD1-CB 3.97Å; I38-W43 HydrophobicContact CD1-CE3 3.9Å; I38-W43 HydrophobicContact CG1-CB 4.23Å; I38-W43 HydrophobicContact CG1-CE3 4.38Å |
| 39 | T | 96.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 80 Ų | 80 | 49% | 0.485 | 45% | 0.45 | S | S | . | . | trans | -70.7 | 152.2 | 177.8 | 67 | 0 | 0 | 0 | 0 | 112 | Q41 Q42 W43 | T39-Q41 PolarHBondContact O-N 3.32Å; T39-Q42 VanDerWaalsContact N-OE1 3.09Å; T39-Q42 PolarHBondContact O-N 3.31Å; T39-Q42 VanDerWaalsContact O-N 3.08Å; T39-Q42 WeakPolarHBondContact OG1-CB 3.34Å; T39-Q42 VanDerWaalsContact OG1-CD 3.3Å; T39-Q42 VanDerWaalsContact OG1-CG 3.27Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.45Å; T39-Q42 PolarHBondContact OG1-N 2.83Å; T39-Q42 PolarHBondContact OG1-OE1 2.78Å; T39-W43 PolarHBondContact O-N 3.2Å | ||
| 40 | L | 95.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 82.4 Ų | 82.4 | 37% | 0.372 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -53.8 | -38.2 | 175.9 | -178 | 64 | 0 | 0 | 0 | 112.9 | R20 R44 | R20-L40 HydrophobicContact CB-CD1 3.59Å; R20-L40 HydrophobicContact CG-CD1 4.31Å; L40-R44 HydrophobicContact CD1-CG 4.41Å; L40-R44 WeakPolarHBondContact O-CB 3.38Å; L40-R44 WeakPolarHBondContact O-CG 3.49Å; L40-R44 PolarHBondContact O-N 2.81Å |
| 41 | Q | 96.8 | Very high | 94.7 | Very high | 136 Ų | 136 | 85.1 Ų | 85.1 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.8 | -41.3 | 179 | -170.3 | -175.1 | 4.3 | 0 | 0 | 111.8 | T39 R44 K45 | T39-Q41 PolarHBondContact O-N 3.32Å; Q41-R44 PolarHBondContact O-N 3.16Å; Q41-K45 VanDerWaalsContact O-CG 3.31Å; Q41-K45 WeakPolarHBondContact O-CG 3.36Å; Q41-K45 PolarHBondContact O-N 2.86Å |
| 42 | Q | 96.6 | Very high | 93.2 | Very high | 104 Ų | 104 | 89.9 Ų | 89.9 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 175.4 | -73.7 | 165.5 | -48.6 | 0 | 0 | 111.1 | I38 T39 R44 K45 | I38-Q42 HydrophobicContact CB-CB 4.44Å; I38-Q42 HydrophobicContact CD1-CB 4.13Å; T39-Q42 VanDerWaalsContact N-OE1 3.09Å; T39-Q42 PolarHBondContact O-N 3.31Å; T39-Q42 VanDerWaalsContact O-N 3.08Å; T39-Q42 WeakPolarHBondContact OG1-CB 3.34Å; T39-Q42 VanDerWaalsContact OG1-CD 3.3Å; T39-Q42 VanDerWaalsContact OG1-CG 3.27Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.45Å; T39-Q42 PolarHBondContact OG1-N 2.83Å; T39-Q42 PolarHBondContact OG1-OE1 2.78Å; Q42-R44 PolarHBondContact O-N 3.45Å; Q42-K45 PolarHBondContact O-N 2.98Å |
| 43 | W | 96.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 91.3 Ų | 91.3 | 1% | 0.011 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 175.3 | -178 | -99.8 | 0 | 0 | 0 | 112 | F18 I28 I30 W35 I38 T39 K45 V46 F47 | F18-W43 PolarHBondContact O-NE1 2.8Å; I28-W43 HydrophobicContact CB-CH2 4.08Å; I28-W43 HydrophobicContact CB-CZ2 4.12Å; I28-W43 HydrophobicContact CG2-CH2 3.74Å; I28-W43 HydrophobicContact CG2-CZ2 3.87Å; I30-W43 HydrophobicContact CB-CH2 4.43Å; I30-W43 HydrophobicContact CB-CZ3 4.32Å; I30-W43 HydrophobicContact CD1-CE3 4.45Å; I30-W43 HydrophobicContact CD1-CH2 3.43Å; I30-W43 VanDerWaalsContact CD1-CH2 3.43Å; I30-W43 HydrophobicContact CD1-CZ2 3.89Å; I30-W43 HydrophobicContact CD1-CZ3 3.74Å; I30-W43 HydrophobicContact CG1-CH2 3.61Å; I30-W43 HydrophobicContact CG1-CZ2 4.44Å; I30-W43 HydrophobicContact CG1-CZ3 3.96Å; W35-W43 HydrophobicContact CB-CD2 3.68Å; W35-W43 HydrophobicContact CB-CE3 3.54Å; W35-W43 HydrophobicContact CB-CG 4.47Å; W35-W43 HydrophobicContact CB-CH2 3.69Å; W35-W43 HydrophobicContact CB-CZ2 3.83Å; W35-W43 HydrophobicContact CB-CZ3 3.55Å; W35-W43 HydrophobicContact CE3-CZ2 4.13Å; I38-W43 HydrophobicContact CD1-CB 3.97Å; I38-W43 HydrophobicContact CD1-CE3 3.9Å; I38-W43 HydrophobicContact CG1-CB 4.23Å; I38-W43 HydrophobicContact CG1-CE3 4.38Å; T39-W43 PolarHBondContact O-N 3.2Å; W43-K45 PolarHBondContact O-N 3.13Å; W43-V46 WeakPolarHBondContact O-CG2 3.49Å; W43-V46 PolarHBondContact O-N 3.42Å; W43-F47 AromaticContact CD1-CE2 3.85Å; W43-F47 HydrophobicContact CD2-CE2 4.2Å; W43-F47 AromaticContact CE2-CE2 3.65Å; W43-F47 AromaticContact CE2-CZ 3.94Å; W43-F47 HydrophobicContact CG-CE2 4.33Å; W43-F47 HydrophobicContact CZ2-CE2 4.09Å; W43-F47 AromaticContact CZ2-CZ 3.91Å; W43-F47 HydrophobicContact CZ2-CZ 3.91Å; W43-F47 AromaticContact NE1-CE2 3.42Å; W43-F47 AromaticContact NE1-CZ 3.92Å; W43-F47 VanDerWaalsContact O-CD2 3.29Å; W43-F47 WeakPolarHBondContact O-CD2 3.47Å; W43-F47 WeakPolarHBondContact O-CE2 3.16Å |
| 44 | R | 96 | Very high | 92.9 | Very high | 94 Ų | 94 | 92.6 Ų | 92.6 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -24.9 | -179.8 | -73.5 | 177.9 | 178.8 | 169 | 4.1 | 113.7 | L19 R20 L40 Q41 Q42 V46 F47 | L19-R44 PolarHBondContact O-NE 3.2Å; L19-R44 PolarHBondContact O-NH2 3.45Å; R20-R44 PolarHBondContact O-NH2 3.48Å; L40-R44 HydrophobicContact CD1-CG 4.41Å; L40-R44 WeakPolarHBondContact O-CB 3.38Å; L40-R44 WeakPolarHBondContact O-CG 3.49Å; L40-R44 PolarHBondContact O-N 2.81Å; Q41-R44 PolarHBondContact O-N 3.16Å; Q42-R44 PolarHBondContact O-N 3.45Å; R44-V46 VanDerWaalsContact C-N 3.26Å; R44-V46 PolarHBondContact O-N 3.03Å; R44-F47 PolarHBondContact O-N 3.47Å |
| 45 | K | 95.9 | Very high | 92.8 | Very high | 154 Ų | 154 | 96.9 Ų | 96.9 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -21.3 | 178.8 | -81 | 175.6 | 179 | -177.2 | 0 | 113.9 | Q41 Q42 W43 F47 | Q41-K45 VanDerWaalsContact O-CG 3.31Å; Q41-K45 WeakPolarHBondContact O-CG 3.36Å; Q41-K45 PolarHBondContact O-N 2.86Å; Q42-K45 PolarHBondContact O-N 2.98Å; W43-K45 PolarHBondContact O-N 3.13Å; K45-F47 VanDerWaalsContact C-N 3.3Å |
| 46 | V | 94.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 102.1 Ų | 102.1 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -10.5 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | I30 W43 R44 | I30-V46 HydrophobicContact CD1-CG2 3.87Å; W43-V46 WeakPolarHBondContact O-CG2 3.49Å; W43-V46 PolarHBondContact O-N 3.42Å; R44-V46 VanDerWaalsContact C-N 3.26Å; R44-V46 PolarHBondContact O-N 3.03Å |
| 47 | F | 95.1 | Very high | 92.6 | Very high | 61 Ų | 61 | 102 Ų | 102 | 27% | 0.268 | 55% | 0.552 | S | S | . | * | trans | -99.1 | 126.9 | 179.1 | -62.7 | -87.5 | 0 | 0 | 0 | 111.4 | F18 L19 I30 W43 R44 K45 V49 | F18-F47 HydrophobicContact CB-CE1 4.07Å; F18-F47 HydrophobicContact CB-CZ 4.26Å; L19-F47 HydrophobicContact CD2-CB 3.74Å; L19-F47 HydrophobicContact CD2-CD1 4.49Å; L19-F47 HydrophobicContact CD2-CD2 4.08Å; L19-F47 HydrophobicContact CD2-CG 3.85Å; I30-F47 HydrophobicContact CD1-CE1 4.49Å; I30-F47 HydrophobicContact CD1-CE2 4.25Å; I30-F47 HydrophobicContact CD1-CZ 3.78Å; W43-F47 AromaticContact CD1-CE2 3.85Å; W43-F47 HydrophobicContact CD2-CE2 4.2Å; W43-F47 AromaticContact CE2-CE2 3.65Å; W43-F47 AromaticContact CE2-CZ 3.94Å; W43-F47 HydrophobicContact CG-CE2 4.33Å; W43-F47 HydrophobicContact CZ2-CE2 4.09Å; W43-F47 AromaticContact CZ2-CZ 3.91Å; W43-F47 HydrophobicContact CZ2-CZ 3.91Å; W43-F47 AromaticContact NE1-CE2 3.42Å; W43-F47 AromaticContact NE1-CZ 3.92Å; W43-F47 VanDerWaalsContact O-CD2 3.29Å; W43-F47 WeakPolarHBondContact O-CD2 3.47Å; W43-F47 WeakPolarHBondContact O-CE2 3.16Å; R44-F47 PolarHBondContact O-N 3.47Å; K45-F47 VanDerWaalsContact C-N 3.3Å; F47-V49 HydrophobicContact CB-CG2 4.22Å | ||
| 48 | G | 94.8 | Very high | 92.3 | Very high | 84 Ų | 84 | 103.4 Ų | 103.4 | 87% | 0.866 | 55% | 0.551 | S | S | * | * | trans | -94.1 | 121.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | V | 91.8 | Very high | 92 | Very high | 82 Ų | 82 | 107.1 Ų | 107.1 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | trans | -124.8 | 130.3 | -177.7 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | L19 F47 | L19-V49 HydrophobicContact CD1-CG2 3.91Å; L19-V49 HydrophobicContact CD2-CG2 3.9Å; L19-V49 HydrophobicContact CG-CG2 4.4Å; F47-V49 HydrophobicContact CB-CG2 4.22Å | ||
| 50 | I | 91.9 | Very high | 91.7 | Very high | 162 Ų | 162 | 109.2 Ų | 109.2 | 83% | 0.831 | 58% | 0.578 | S | S | * | * | trans | -103 | 112.9 | 170.8 | -59 | 174.1 | 0 | 0 | 0 | 106.3 | ||||
| 51 | P | 80.7 | Confident | 91.4 | Very high | 113 Ų | 113 | 112.4 Ų | 112.4 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | trans | -58.4 | 144.1 | 175.6 | -21.6 | 32.9 | 0 | 0 | 0 | 111.1 | ||||
| 52 | Q | 65.2 | Low | 90.9 | Very high | 262 Ų | 262 | 110.3 Ų | 110.3 | 100% | 1.224 | 59% | 0.592 | S | S | * | * | trans | -75.2 | 0 | 170.4 | -94.4 | -118.1 | -72.2 | 0 | 0 | 111.5 |
Retrieved 52 of 52 residues in 41 ms
(Link to these results)