| 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 | 41.8 | Very low | 57.2 | Low | 248 Ų | 248 | 151 Ų | 151 | 100% | 1.222 | 70% | 0.699 | S | S | * | * | 0 | 113.9 | 0 | -94.6 | 170.6 | 166.2 | 0 | 0 | 109.3 | S3 | M1-S3 PolarHBondContact O-N 2.99Š| |||
| 2 | R | 51 | Low | 57.2 | Low | 251 Ų | 251 | 149.2 Ų | 149.2 | 95% | 0.947 | 69% | 0.691 | S | S | * | * | trans | -77.5 | 97.2 | 173.6 | -99.3 | -179.9 | 171.9 | 170.7 | -2.7 | 108.8 | R4 | R2-R4 PolarHBondContact O-N 3.39Å; R2-R4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 55.1 | Low | 57 | Low | 80 Ų | 80 | 145.7 Ų | 145.7 | 56% | 0.559 | 68% | 0.681 | S | S | * | * | trans | -64 | 108.2 | 164.6 | 174.4 | 0 | 0 | 0 | 0 | 107.9 | M1 F5 | M1-S3 PolarHBondContact O-N 2.99Å; S3-F5 VanDerWaalsContact C-N 3.33Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-F5 PolarHBondContact O-N 3.16Å | ||
| 4 | R | 60.8 | Low | 57 | Low | 212 Ų | 212 | 140.9 Ų | 140.9 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | trans | -70 | 97.5 | 166.6 | -67.6 | -175.6 | -167.4 | -177.4 | 3.4 | 106.2 | R2 Y6 | R2-R4 PolarHBondContact O-N 3.39Å; R2-R4 VanDerWaalsContact O-N 3.16Å; R4-Y6 VanDerWaalsContact C-N 3.3Å; R4-Y6 PolarHBondContact O-N 3.16Å | ||
| 5 | F | 60.4 | Low | 57 | Low | 177 Ų | 177 | 140.4 Ų | 140.4 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | -64.1 | 96 | 169.1 | -70.6 | -84.6 | 0 | 0 | 0 | 107.6 | S3 T7 | S3-F5 VanDerWaalsContact C-N 3.33Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-F5 PolarHBondContact O-N 3.16Å; F5-T7 PolarHBondContact O-N 3.17Å | ||
| 6 | Y | 57.8 | Low | 56.7 | Low | 171 Ų | 171 | 141.4 Ų | 141.4 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | trans | -57.8 | 108.1 | 162.5 | -75.5 | -84.3 | 0 | 0 | 0 | 106.5 | R4 | R4-Y6 VanDerWaalsContact C-N 3.3Å; R4-Y6 PolarHBondContact O-N 3.16Å | ||
| 7 | T | 61.3 | Low | 56.7 | Low | 73 Ų | 73 | 138.6 Ų | 138.6 | 45% | 0.448 | 66% | 0.661 | S | S | . | * | trans | -65.5 | 150.3 | -178.2 | 58.3 | 0 | 0 | 0 | 0 | 108.5 | F5 K9 D10 K11 | F5-T7 PolarHBondContact O-N 3.17Å; T7-K9 PolarHBondContact O-N 3.38Å; T7-D10 PolarHBondContact N-OD2 2.84Å; T7-D10 WeakPolarHBondContact O-CA 3.44Å; T7-D10 WeakPolarHBondContact O-CB 3.3Å; T7-D10 PolarHBondContact O-N 3.18Å; T7-D10 VanDerWaalsContact OG1-CG 3.3Å; T7-D10 PolarHBondContact OG1-N 3.17Å; T7-D10 PolarHBondContact OG1-OD2 3.05Å; T7-K11 PolarHBondContact O-N 3.38Å; T7-K11 VanDerWaalsContact O-N 3.14Å | ||
| 8 | S | 62.9 | Low | 57.1 | Low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -54.7 | -21.4 | 173.4 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | Q12 | S8-Q12 WeakPolarHBondContact O-CB 3.43Å; S8-Q12 VanDerWaalsContact O-CG 3.28Å; S8-Q12 WeakPolarHBondContact O-CG 3.33Å; S8-Q12 PolarHBondContact O-N 3.34Å |
| 9 | K | 60.1 | Low | 57.4 | Low | 153 Ų | 153 | 140.3 Ų | 140.3 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.6 | -39.1 | 172.1 | -162.5 | 173.7 | -177.3 | 178.9 | 0 | 112.7 | T7 Q12 N13 | T7-K9 PolarHBondContact O-N 3.38Å; K9-Q12 PolarHBondContact O-N 3.42Å; K9-N13 WeakPolarHBondContact O-CB 3.45Å; K9-N13 PolarHBondContact O-N 3.1Å |
| 10 | D | 59.7 | Low | 58 | Low | 81 Ų | 81 | 137.9 Ų | 137.9 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.4 | -40.9 | 172.3 | -59.6 | -52.1 | 0 | 0 | 0 | 111 | T7 N13 S14 | T7-D10 PolarHBondContact N-OD2 2.84Å; T7-D10 WeakPolarHBondContact O-CA 3.44Å; T7-D10 WeakPolarHBondContact O-CB 3.3Å; T7-D10 PolarHBondContact O-N 3.18Å; T7-D10 VanDerWaalsContact OG1-CG 3.3Å; T7-D10 PolarHBondContact OG1-N 3.17Å; T7-D10 PolarHBondContact OG1-OD2 3.05Å; D10-N13 PolarHBondContact O-N 3.45Å; D10-S14 PolarHBondContact O-N 3.04Å; D10-S14 PolarHBondContact O-OG 3.1Å |
| 11 | K | 58.7 | Low | 58.6 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.6 | -40.9 | 172.7 | -70.7 | -175.3 | 178.8 | -179.2 | 0 | 112.2 | T7 S14 I15 | T7-K11 PolarHBondContact O-N 3.38Å; T7-K11 VanDerWaalsContact O-N 3.14Å; K11-S14 PolarHBondContact O-N 3.35Å; K11-S14 PolarHBondContact O-OG 3.06Å; K11-I15 VanDerWaalsContact O-CB 3.28Å; K11-I15 WeakPolarHBondContact O-CB 3.27Å; K11-I15 VanDerWaalsContact O-CD1 3.27Å; K11-I15 WeakPolarHBondContact O-CD1 3.43Å; K11-I15 WeakPolarHBondContact O-CG1 3.4Å; K11-I15 PolarHBondContact O-N 3.42Å |
| 12 | Q | 56.5 | Low | 60.1 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.7 | -34 | 176.7 | -77.4 | -179.8 | 23 | 0 | 0 | 112.4 | S8 K9 I15 K16 | S8-Q12 WeakPolarHBondContact O-CB 3.43Å; S8-Q12 VanDerWaalsContact O-CG 3.28Å; S8-Q12 WeakPolarHBondContact O-CG 3.33Å; S8-Q12 PolarHBondContact O-N 3.34Å; K9-Q12 PolarHBondContact O-N 3.42Å; Q12-I15 PolarHBondContact O-N 3.32Å; Q12-K16 WeakPolarHBondContact O-CB 3.24Å; Q12-K16 WeakPolarHBondContact O-CG 2.97Å; Q12-K16 PolarHBondContact O-N 3.16Å |
| 13 | N | 55.5 | Low | 61.4 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.4 | -33.8 | 173.9 | -90.8 | 6.7 | 0 | 0 | 0 | 112.4 | K9 D10 K16 | K9-N13 WeakPolarHBondContact O-CB 3.45Å; K9-N13 PolarHBondContact O-N 3.1Å; D10-N13 PolarHBondContact O-N 3.45Å; N13-K16 CarbonylContact O-C 3.58Å |
| 14 | S | 56.5 | Low | 62.4 | Low | 79 Ų | 79 | 115.9 Ų | 115.9 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.2 | -28.9 | 172.3 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | D10 K11 I17 | D10-S14 PolarHBondContact O-N 3.04Å; D10-S14 PolarHBondContact O-OG 3.1Å; K11-S14 PolarHBondContact O-N 3.35Å; K11-S14 PolarHBondContact O-OG 3.06Å; S14-I17 WeakPolarHBondContact O-CG1 3.27Å; S14-I17 PolarHBondContact O-N 3.24Å |
| 15 | I | 56.3 | Low | 63.3 | Low | 133 Ų | 133 | 112.4 Ų | 112.4 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.2 | -24.9 | 173.5 | -68.2 | 163.4 | 0 | 0 | 0 | 111.3 | K11 Q12 I17 | K11-I15 VanDerWaalsContact O-CB 3.28Å; K11-I15 WeakPolarHBondContact O-CB 3.27Å; K11-I15 VanDerWaalsContact O-CD1 3.27Å; K11-I15 WeakPolarHBondContact O-CD1 3.43Å; K11-I15 WeakPolarHBondContact O-CG1 3.4Å; K11-I15 PolarHBondContact O-N 3.42Å; Q12-I15 PolarHBondContact O-N 3.32Å; I15-I17 PolarHBondContact O-N 3.21Å |
| 16 | K | 53.7 | Low | 64.4 | Low | 157 Ų | 157 | 108.9 Ų | 108.9 | 68% | 0.683 | 53% | 0.533 | S | S | * | . | trans | -72 | 50 | 159 | -76.9 | -177.5 | 177.4 | 179.9 | 0 | 110.5 | Q12 N13 N18 | Q12-K16 WeakPolarHBondContact O-CB 3.24Å; Q12-K16 WeakPolarHBondContact O-CG 2.97Å; Q12-K16 PolarHBondContact O-N 3.16Å; N13-K16 CarbonylContact O-C 3.58Å; K16-N18 PolarHBondContact O-N 3.42Å | ||
| 17 | I | 56.7 | Low | 65.5 | Low | 93 Ų | 93 | 103.7 Ų | 103.7 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | trans | -50.4 | 108.5 | 142.8 | -62.6 | 176.8 | 0 | 0 | 0 | 103.1 | S14 I15 R19 T21 L22 | S14-I17 WeakPolarHBondContact O-CG1 3.27Å; S14-I17 PolarHBondContact O-N 3.24Å; I15-I17 PolarHBondContact O-N 3.21Å; I17-R19 PolarHBondContact O-N 3.07Å; I17-R19 VanDerWaalsContact O-N 3.13Å; I17-T21 HydrophobicContact CG2-CG2 3.93Å; I17-L22 HydrophobicContact CG2-CB 4.11Å | ||
| 18 | N | 62.7 | Low | 66.4 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | trans | -44.7 | 127.2 | -176.6 | -179.1 | -6.2 | 0 | 0 | 0 | 106.2 | K16 N20 T21 L22 | K16-N18 PolarHBondContact O-N 3.42Å; N18-N20 CarbonylContact O-C 3.51Å; N18-N20 PolarHBondContact O-N 3.23Å; N18-N20 PolarHBondContact OD1-N 3.27Å; N18-T21 WeakPolarHBondContact O-CA 3.42Å; N18-T21 WeakPolarHBondContact O-CB 3.33Å; N18-T21 PolarHBondContact O-N 3.09Å; N18-L22 PolarHBondContact O-N 3.39Å | ||
| 19 | R | 64 | Low | 67.4 | Low | 218 Ų | 218 | 103.1 Ų | 103.1 | 82% | 0.823 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -50.2 | -30.4 | -176.8 | -75.1 | -178.9 | 173.8 | 174.9 | -3.4 | 110.9 | I17 L22 S23 | I17-R19 PolarHBondContact O-N 3.07Å; I17-R19 VanDerWaalsContact O-N 3.13Å; R19-L22 PolarHBondContact O-N 3.47Å; R19-S23 VanDerWaalsContact O-CB 3.24Å; R19-S23 WeakPolarHBondContact O-CB 3.5Å; R19-S23 PolarHBondContact O-N 2.9Å |
| 20 | N | 69.2 | Low | 68.5 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 172.5 | -58.9 | 7.8 | 0 | 0 | 0 | 112.4 | N18 S23 K24 | N18-N20 CarbonylContact O-C 3.51Å; N18-N20 PolarHBondContact O-N 3.23Å; N18-N20 PolarHBondContact OD1-N 3.27Å; N20-S23 PolarHBondContact O-N 3.36Å; N20-K24 WeakPolarHBondContact O-CB 3.42Å; N20-K24 VanDerWaalsContact O-CG 3.24Å; N20-K24 WeakPolarHBondContact O-CG 3.43Å; N20-K24 PolarHBondContact O-N 3.31Å |
| 21 | T | 70.8 | Confident | 69.5 | Low | 52 Ų | 52 | 98.2 Ų | 98.2 | 32% | 0.319 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | I17 N18 K24 Y25 | I17-T21 HydrophobicContact CG2-CG2 3.93Å; N18-T21 WeakPolarHBondContact O-CA 3.42Å; N18-T21 WeakPolarHBondContact O-CB 3.33Å; N18-T21 PolarHBondContact O-N 3.09Å; T21-K24 WeakPolarHBondContact O-CB 3.43Å; T21-K24 PolarHBondContact O-N 3.42Å; T21-Y25 HydrophobicContact CG2-CD2 3.78Å; T21-Y25 HydrophobicContact CG2-CE2 3.38Å; T21-Y25 WeakPolarHBondContact O-CD2 3.24Å; T21-Y25 PolarHBondContact O-N 3.36Å |
| 22 | L | 73.5 | Confident | 70.6 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 175.5 | -177 | 65 | 0 | 0 | 0 | 110.7 | I17 N18 R19 K24 Y25 E26 | I17-L22 HydrophobicContact CG2-CB 4.11Å; N18-L22 PolarHBondContact O-N 3.39Å; R19-L22 PolarHBondContact O-N 3.47Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 2.58Å; L22-Y25 PolarHBondContact O-N 3.08Å; L22-Y25 VanDerWaalsContact O-N 3.08Å; L22-E26 WeakPolarHBondContact O-CG 3.5Å; L22-E26 PolarHBondContact O-N 3.35Å |
| 23 | S | 77.3 | Confident | 71.9 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 112 | R19 N20 T27 | R19-S23 VanDerWaalsContact O-CB 3.24Å; R19-S23 WeakPolarHBondContact O-CB 3.5Å; R19-S23 PolarHBondContact O-N 2.9Å; N20-S23 PolarHBondContact O-N 3.36Å; S23-T27 VanDerWaalsContact O-CB 3.32Å; S23-T27 WeakPolarHBondContact O-CB 3.32Å; S23-T27 PolarHBondContact O-N 3.21Å; S23-T27 PolarHBondContact O-OG1 3.03Å |
| 24 | K | 76.4 | Confident | 73.1 | Confident | 64 Ų | 64 | 95.1 Ų | 95.1 | 28% | 0.278 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 173.1 | -77.4 | 175.6 | -176.5 | -164.5 | 0 | 111.6 | N20 T21 L22 T27 I28 V61 | N20-K24 WeakPolarHBondContact O-CB 3.42Å; N20-K24 VanDerWaalsContact O-CG 3.24Å; N20-K24 WeakPolarHBondContact O-CG 3.43Å; N20-K24 PolarHBondContact O-N 3.31Å; T21-K24 WeakPolarHBondContact O-CB 3.43Å; T21-K24 PolarHBondContact O-N 3.42Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 2.58Å; K24-T27 WeakPolarHBondContact O-CB 3.26Å; K24-T27 PolarHBondContact O-N 2.65Å; K24-I28 VanDerWaalsContact O-CG1 3.26Å; K24-I28 WeakPolarHBondContact O-CG1 3.39Å; K24-I28 PolarHBondContact O-N 3.34Å; K24-V61 WeakPolarHBondContact CE-O 3.39Å; K24-V61 WeakPolarHBondContact CE-OXT 3.45Å; K24-V61 HydrophobicContact CG-CG1 4.29Å; K24-V61 PolarHBondContact NZ-O 3.16Å; K24-V61 PolarHBondContact NZ-OXT 3.2Å |
| 25 | Y | 79.1 | Confident | 74.2 | Confident | 139 Ų | 139 | 93.7 Ų | 93.7 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.5 | -75.4 | -59.5 | 0 | 0 | 0 | 112.6 | T21 L22 T27 I28 I29 | T21-Y25 HydrophobicContact CG2-CD2 3.78Å; T21-Y25 HydrophobicContact CG2-CE2 3.38Å; T21-Y25 WeakPolarHBondContact O-CD2 3.24Å; T21-Y25 PolarHBondContact O-N 3.36Å; L22-Y25 PolarHBondContact O-N 3.08Å; L22-Y25 VanDerWaalsContact O-N 3.08Å; Y25-T27 VanDerWaalsContact C-N 3.3Å; Y25-T27 PolarHBondContact O-N 3.37Å; Y25-I28 PolarHBondContact O-N 2.88Å; Y25-I29 WeakPolarHBondContact O-CB 3.46Å; Y25-I29 VanDerWaalsContact O-CG1 3.23Å; Y25-I29 WeakPolarHBondContact O-CG1 3.39Å; Y25-I29 PolarHBondContact O-N 3.37Å |
| 26 | E | 82.9 | Confident | 75.3 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 49% | 0.486 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.6 | -73.2 | 177.9 | 160.1 | 0 | 0 | 111.3 | L22 I29 N30 | L22-E26 WeakPolarHBondContact O-CG 3.5Å; L22-E26 PolarHBondContact O-N 3.35Å; E26-I29 PolarHBondContact O-N 2.92Å; E26-N30 WeakPolarHBondContact O-CB 3.23Å; E26-N30 VanDerWaalsContact O-CG 3.31Å; E26-N30 PolarHBondContact O-N 2.96Å; E26-N30 PolarHBondContact O-ND2 3.44Å |
| 27 | T | 81.6 | Confident | 76.6 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176 | -58.1 | 0 | 0 | 0 | 0 | 111 | S23 K24 Y25 I29 N30 F31 F54 | S23-T27 VanDerWaalsContact O-CB 3.32Å; S23-T27 WeakPolarHBondContact O-CB 3.32Å; S23-T27 PolarHBondContact O-N 3.21Å; S23-T27 PolarHBondContact O-OG1 3.03Å; K24-T27 WeakPolarHBondContact O-CB 3.26Å; K24-T27 PolarHBondContact O-N 2.65Å; Y25-T27 VanDerWaalsContact C-N 3.3Å; Y25-T27 PolarHBondContact O-N 3.37Å; T27-I29 PolarHBondContact O-N 2.93Å; T27-N30 PolarHBondContact O-N 2.97Å; T27-F31 WeakPolarHBondContact O-CB 3.46Å; T27-F31 PolarHBondContact O-N 3.21Å; T27-F54 HydrophobicContact CG2-CE2 3.5Å; T27-F54 VanDerWaalsContact CG2-CE2 3.5Å; T27-F54 HydrophobicContact CG2-CZ 3.8Å; T27-F54 WeakPolarHBondContact O-CZ 3.42Å |
| 28 | I | 80.8 | Confident | 77.6 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 175.6 | -67.9 | 163.5 | 0 | 0 | 0 | 111.6 | K24 Y25 F31 L32 F54 I58 | K24-I28 VanDerWaalsContact O-CG1 3.26Å; K24-I28 WeakPolarHBondContact O-CG1 3.39Å; K24-I28 PolarHBondContact O-N 3.34Å; Y25-I28 PolarHBondContact O-N 2.88Å; I28-F31 PolarHBondContact O-N 3.21Å; I28-L32 HydrophobicContact CG2-CD1 4.04Å; I28-L32 HydrophobicContact CG2-CG 4.44Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 3.15Å; I28-F54 HydrophobicContact CG1-CE1 4.31Å; I28-F54 HydrophobicContact CG1-CZ 4.32Å; I28-I58 HydrophobicContact CD1-CD1 4.05Å; I28-I58 HydrophobicContact CG1-CD1 3.37Å; I28-I58 HydrophobicContact CG1-CG1 4.4Å |
| 29 | I | 82.8 | Confident | 78.3 | Confident | 95 Ų | 95 | 91.8 Ų | 91.8 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.1 | -47 | -178.6 | -70.2 | 164.8 | 0 | 0 | 0 | 110.6 | Y25 E26 T27 F31 L32 I33 | Y25-I29 WeakPolarHBondContact O-CB 3.46Å; Y25-I29 VanDerWaalsContact O-CG1 3.23Å; Y25-I29 WeakPolarHBondContact O-CG1 3.39Å; Y25-I29 PolarHBondContact O-N 3.37Å; E26-I29 PolarHBondContact O-N 2.92Å; T27-I29 PolarHBondContact O-N 2.93Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 3.36Å; I29-L32 PolarHBondContact O-N 3.32Å; I29-I33 HydrophobicContact CG2-CD1 3.86Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.44Å |
| 30 | N | 83.2 | Confident | 79.2 | Confident | 107 Ų | 107 | 88 Ų | 88 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60 | -40.2 | 178 | -74.6 | -22.7 | 0 | 0 | 0 | 111.6 | E26 T27 I33 Y34 | E26-N30 WeakPolarHBondContact O-CB 3.23Å; E26-N30 VanDerWaalsContact O-CG 3.31Å; E26-N30 PolarHBondContact O-N 2.96Å; E26-N30 PolarHBondContact O-ND2 3.44Å; T27-N30 PolarHBondContact O-N 2.97Å; N30-I33 PolarHBondContact O-N 3.02Å; N30-Y34 WeakPolarHBondContact O-CB 2.99Å; N30-Y34 PolarHBondContact O-N 3.48Å |
| 31 | F | 82.2 | Confident | 79.9 | Confident | 25 Ų | 25 | 89 Ų | 89 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 176 | -176.2 | -105.2 | 0 | 0 | 0 | 113.1 | T27 I28 I29 I33 Y34 K35 F54 | T27-F31 WeakPolarHBondContact O-CB 3.46Å; T27-F31 PolarHBondContact O-N 3.21Å; I28-F31 PolarHBondContact O-N 3.21Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 3.36Å; F31-I33 VanDerWaalsContact C-N 3.31Å; F31-I33 PolarHBondContact O-N 3.2Å; F31-Y34 PolarHBondContact O-N 3.45Å; F31-K35 HydrophobicContact CD1-CD 4.06Å; F31-K35 HydrophobicContact CD1-CG 4.27Å; F31-K35 HydrophobicContact CE1-CD 3.47Å; F31-K35 VanDerWaalsContact CE1-CD 3.47Å; F31-K35 HydrophobicContact CE1-CG 3.9Å; F31-K35 HydrophobicContact CE2-CG 4.44Å; F31-K35 HydrophobicContact CZ-CD 3.88Å; F31-K35 HydrophobicContact CZ-CG 3.97Å; F31-K35 WeakPolarHBondContact O-CB 3.32Å; F31-K35 WeakPolarHBondContact O-CG 3.24Å; F31-K35 PolarHBondContact O-N 3.34Å; F31-F54 HydrophobicContact CB-CD1 4.02Å; F31-F54 HydrophobicContact CB-CD2 3.87Å; F31-F54 HydrophobicContact CB-CE1 3.49Å; F31-F54 VanDerWaalsContact CB-CE1 3.49Å; F31-F54 HydrophobicContact CB-CE2 3.38Å; F31-F54 HydrophobicContact CB-CG 4.17Å; F31-F54 HydrophobicContact CB-CZ 3.17Å; F31-F54 HydrophobicContact CD1-CB 4.31Å; F31-F54 AromaticContact CD1-CD1 3.15Å; F31-F54 HydrophobicContact CD1-CD1 3.15Å; F31-F54 HydrophobicContact CD1-CD2 4.2Å; F31-F54 AromaticContact CD1-CE1 3.31Å; F31-F54 HydrophobicContact CD1-CE1 3.31Å; F31-F54 HydrophobicContact CD1-CE2 4.36Å; F31-F54 AromaticContact CD1-CG 3.62Å; F31-F54 HydrophobicContact CD1-CG 3.62Å; F31-F54 AromaticContact CD1-CZ 3.96Å; F31-F54 HydrophobicContact CD1-CZ 3.96Å; F31-F54 HydrophobicContact CD2-CB 3.85Å; F31-F54 AromaticContact CD2-CD1 3.88Å; F31-F54 HydrophobicContact CD2-CD1 3.88Å; F31-F54 AromaticContact CD2-CD2 3.36Å; F31-F54 HydrophobicContact CD2-CD2 3.36Å; F31-F54 HydrophobicContact CD2-CE1 4.24Å; F31-F54 AromaticContact CD2-CE2 3.81Å; F31-F54 HydrophobicContact CD2-CE2 3.81Å; F31-F54 AromaticContact CD2-CG 3.4Å; F31-F54 HydrophobicContact CD2-CG 3.4Å; F31-F54 VanDerWaalsContact CD2-CG 3.4Å; F31-F54 HydrophobicContact CD2-CZ 4.23Å; F31-F54 HydrophobicContact CE1-CB 3.9Å; F31-F54 AromaticContact CE1-CD1 3.4Å; F31-F54 HydrophobicContact CE1-CD1 3.4Å; F31-F54 HydrophobicContact CE1-CE1 4.05Å; F31-F54 AromaticContact CE1-CG 3.72Å; F31-F54 HydrophobicContact CE1-CG 3.72Å; F31-F54 HydrophobicContact CE2-CB 3.44Å; F31-F54 VanDerWaalsContact CE2-CB 3.44Å; F31-F54 HydrophobicContact CE2-CD1 4.12Å; F31-F54 AromaticContact CE2-CD2 3.89Å; F31-F54 HydrophobicContact CE2-CD2 3.89Å; F31-F54 AromaticContact CE2-CG 3.55Å; F31-F54 HydrophobicContact CE2-CG 3.55Å; F31-F54 HydrophobicContact CG-CB 4.27Å; F31-F54 AromaticContact CG-CD1 3.4Å; F31-F54 HydrophobicContact CG-CD1 3.4Å; F31-F54 AromaticContact CG-CD2 3.55Å; F31-F54 HydrophobicContact CG-CD2 3.55Å; F31-F54 AromaticContact CG-CE1 3.41Å; F31-F54 HydrophobicContact CG-CE1 3.41Å; F31-F54 VanDerWaalsContact CG-CE1 3.41Å; F31-F54 AromaticContact CG-CE2 3.6Å; F31-F54 HydrophobicContact CG-CE2 3.6Å; F31-F54 AromaticContact CG-CG 3.45Å; F31-F54 HydrophobicContact CG-CG 3.45Å; F31-F54 VanDerWaalsContact CG-CG 3.45Å; F31-F54 AromaticContact CG-CZ 3.55Å; F31-F54 HydrophobicContact CG-CZ 3.55Å; F31-F54 HydrophobicContact CZ-CB 3.47Å; F31-F54 VanDerWaalsContact CZ-CB 3.47Å; F31-F54 AromaticContact CZ-CD1 3.9Å; F31-F54 HydrophobicContact CZ-CD1 3.9Å; F31-F54 HydrophobicContact CZ-CD2 4.47Å; F31-F54 AromaticContact CZ-CG 3.7Å; F31-F54 HydrophobicContact CZ-CG 3.7Å |
| 32 | L | 81.1 | Confident | 80.3 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 175.4 | -70.8 | 173.4 | 0 | 0 | 0 | 112 | I28 I29 K36 | I28-L32 HydrophobicContact CG2-CD1 4.04Å; I28-L32 HydrophobicContact CG2-CG 4.44Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 3.15Å; I29-L32 PolarHBondContact O-N 3.32Å; L32-K36 WeakPolarHBondContact O-CB 3.32Å; L32-K36 PolarHBondContact O-N 2.99Å |
| 33 | I | 83 | Confident | 80.3 | Confident | 97 Ų | 97 | 89 Ų | 89 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -50 | 174.6 | -67.8 | 166.8 | 0 | 0 | 0 | 110.1 | I29 N30 F31 K35 K36 T37 | I29-I33 HydrophobicContact CG2-CD1 3.86Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.44Å; N30-I33 PolarHBondContact O-N 3.02Å; F31-I33 VanDerWaalsContact C-N 3.31Å; F31-I33 PolarHBondContact O-N 3.2Å; I33-K35 VanDerWaalsContact C-N 3.35Å; I33-K35 PolarHBondContact O-N 3.19Å; I33-K36 WeakPolarHBondContact O-CB 3.15Å; I33-K36 PolarHBondContact O-N 3.41Å; I33-K36 VanDerWaalsContact O-N 3.16Å; I33-T37 PolarHBondContact O-N 2.7Å; I33-T37 PolarHBondContact O-OG1 3.34Å |
| 34 | Y | 80.8 | Confident | 80 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 37% | 0.365 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55 | -50.3 | 177.3 | 177.4 | -94.4 | 0 | 0 | 0 | 111.2 | N30 F31 K36 T37 W38 E50 | N30-Y34 WeakPolarHBondContact O-CB 2.99Å; N30-Y34 PolarHBondContact O-N 3.48Å; F31-Y34 PolarHBondContact O-N 3.45Å; Y34-K36 VanDerWaalsContact C-N 3.31Å; Y34-K36 PolarHBondContact O-N 3.16Å; Y34-T37 WeakPolarHBondContact O-CB 3.46Å; Y34-T37 PolarHBondContact O-N 3.32Å; Y34-T37 VanDerWaalsContact O-N 3.1Å; Y34-W38 AromaticContact CD1-CD1 3.59Å; Y34-W38 AromaticContact CD1-NE1 3.9Å; Y34-W38 AromaticContact CD2-CD1 3.83Å; Y34-W38 AromaticContact CD2-NE1 3.52Å; Y34-W38 AromaticContact CE1-CD1 3.38Å; Y34-W38 HydrophobicContact CE1-CG 4.42Å; Y34-W38 AromaticContact CE1-NE1 3.36Å; Y34-W38 AromaticContact CE2-CD1 3.66Å; Y34-W38 AromaticContact CE2-CE2 3.97Å; Y34-W38 HydrophobicContact CE2-CZ2 4.45Å; Y34-W38 AromaticContact CE2-NE1 2.94Å; Y34-W38 AromaticContact CG-CD1 3.82Å; Y34-W38 AromaticContact CG-NE1 3.97Å; Y34-W38 AromaticContact CZ-CD1 3.43Å; Y34-W38 VanDerWaalsContact CZ-CD1 3.43Å; Y34-W38 AromaticContact CZ-CE2 3.69Å; Y34-W38 AromaticContact CZ-NE1 2.85Å; Y34-W38 PolarHBondContact O-N 2.97Å; Y34-W38 PolarHBondContact OH-NE1 3.48Å; Y34-W38 VanDerWaalsContact OH-NE1 3.1Å; Y34-E50 VanDerWaalsContact CE1-OE2 3.3Å; Y34-E50 WeakPolarHBondContact CE1-OE2 3.28Å; Y34-E50 PolarHBondContact OH-OE1 3.08Å |
| 35 | K | 79.9 | Confident | 79.4 | Confident | 50 Ų | 50 | 91.5 Ų | 91.5 | 22% | 0.217 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 176.9 | -78.7 | -166.5 | 149.4 | 179 | 0 | 113.3 | F31 I33 T37 W38 Y39 L47 T51 | F31-K35 HydrophobicContact CD1-CD 4.06Å; F31-K35 HydrophobicContact CD1-CG 4.27Å; F31-K35 HydrophobicContact CE1-CD 3.47Å; F31-K35 VanDerWaalsContact CE1-CD 3.47Å; F31-K35 HydrophobicContact CE1-CG 3.9Å; F31-K35 HydrophobicContact CE2-CG 4.44Å; F31-K35 HydrophobicContact CZ-CD 3.88Å; F31-K35 HydrophobicContact CZ-CG 3.97Å; F31-K35 WeakPolarHBondContact O-CB 3.32Å; F31-K35 WeakPolarHBondContact O-CG 3.24Å; F31-K35 PolarHBondContact O-N 3.34Å; I33-K35 VanDerWaalsContact C-N 3.35Å; I33-K35 PolarHBondContact O-N 3.19Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 2.93Å; K35-W38 PolarHBondContact O-N 3.29Å; K35-Y39 WeakPolarHBondContact O-CB 3.11Å; K35-Y39 PolarHBondContact O-N 3.02Å; K35-L47 HydrophobicContact CB-CD2 3.95Å; K35-L47 HydrophobicContact CG-CD2 3.72Å; K35-T51 WeakPolarHBondContact CE-OG1 3.4Å; K35-T51 PolarHBondContact NZ-OG1 2.84Å |
| 36 | K | 79.7 | Confident | 78.9 | Confident | 142 Ų | 142 | 89.3 Ų | 89.3 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 178.3 | -175.8 | -179.1 | 177.4 | -177.1 | 0 | 110.8 | L32 I33 Y34 Q40 | L32-K36 WeakPolarHBondContact O-CB 3.32Å; L32-K36 PolarHBondContact O-N 2.99Å; I33-K36 WeakPolarHBondContact O-CB 3.15Å; I33-K36 PolarHBondContact O-N 3.41Å; I33-K36 VanDerWaalsContact O-N 3.16Å; Y34-K36 VanDerWaalsContact C-N 3.31Å; Y34-K36 PolarHBondContact O-N 3.16Å; K36-Q40 VanDerWaalsContact O-CG 3.27Å; K36-Q40 WeakPolarHBondContact O-CG 3.32Å; K36-Q40 PolarHBondContact O-N 3.45Å; K36-Q40 VanDerWaalsContact O-N 3.07Å |
| 37 | T | 81.8 | Confident | 78.1 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | I33 Y34 K35 Y39 Q40 L41 | I33-T37 PolarHBondContact O-N 2.7Å; I33-T37 PolarHBondContact O-OG1 3.34Å; Y34-T37 WeakPolarHBondContact O-CB 3.46Å; Y34-T37 PolarHBondContact O-N 3.32Å; Y34-T37 VanDerWaalsContact O-N 3.1Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 2.93Å; T37-Y39 PolarHBondContact O-N 3.44Å; T37-Q40 WeakPolarHBondContact O-CB 3.48Å; T37-Q40 PolarHBondContact O-N 3.34Å; T37-L41 HydrophobicContact CG2-CD1 4.15Å; T37-L41 WeakPolarHBondContact O-CG 3.45Å; T37-L41 PolarHBondContact O-N 2.86Å |
| 38 | W | 77.7 | Confident | 77.5 | Confident | 67 Ų | 67 | 90.5 Ų | 90.5 | 25% | 0.254 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 179.3 | -77.1 | 100.7 | 0 | 0 | 0 | 113.7 | Y34 K35 Q40 L41 G42 H43 L47 | Y34-W38 AromaticContact CD1-CD1 3.59Å; Y34-W38 AromaticContact CD1-NE1 3.9Å; Y34-W38 AromaticContact CD2-CD1 3.83Å; Y34-W38 AromaticContact CD2-NE1 3.52Å; Y34-W38 AromaticContact CE1-CD1 3.38Å; Y34-W38 HydrophobicContact CE1-CG 4.42Å; Y34-W38 AromaticContact CE1-NE1 3.36Å; Y34-W38 AromaticContact CE2-CD1 3.66Å; Y34-W38 AromaticContact CE2-CE2 3.97Å; Y34-W38 HydrophobicContact CE2-CZ2 4.45Å; Y34-W38 AromaticContact CE2-NE1 2.94Å; Y34-W38 AromaticContact CG-CD1 3.82Å; Y34-W38 AromaticContact CG-NE1 3.97Å; Y34-W38 AromaticContact CZ-CD1 3.43Å; Y34-W38 VanDerWaalsContact CZ-CD1 3.43Å; Y34-W38 AromaticContact CZ-CE2 3.69Å; Y34-W38 AromaticContact CZ-NE1 2.85Å; Y34-W38 PolarHBondContact O-N 2.97Å; Y34-W38 PolarHBondContact OH-NE1 3.48Å; Y34-W38 VanDerWaalsContact OH-NE1 3.1Å; K35-W38 PolarHBondContact O-N 3.29Å; W38-Q40 VanDerWaalsContact C-N 3.32Å; W38-L41 CarbonylContact O-C 3.59Å; W38-L41 PolarHBondContact O-N 2.88Å; W38-G42 PolarHBondContact O-N 3.24Å; W38-H43 HydrophobicContact CE3-CB 3.53Å; W38-H43 AromaticContact CE3-CD2 3.69Å; W38-H43 AromaticContact CE3-CG 3.51Å; W38-H43 HydrophobicContact CZ3-CB 4.09Å; W38-H43 AromaticContact CZ3-CD2 3.87Å; W38-H43 AromaticContact CZ3-CG 3.67Å; W38-H43 AromaticContact CZ3-ND1 3.78Å; W38-H43 PolarHBondContact O-N 3.13Å; W38-H43 VanDerWaalsContact O-N 3.16Å; W38-L47 HydrophobicContact CB-CD1 4.33Å; W38-L47 HydrophobicContact CB-CD2 3.82Å; W38-L47 HydrophobicContact CB-CG 4.13Å |
| 39 | Y | 76.7 | Confident | 77.2 | Confident | 158 Ų | 158 | 94 Ų | 94 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 172.6 | -174 | -94.9 | 0 | 0 | 0 | 111 | K35 T37 L41 G42 V44 L47 | K35-Y39 WeakPolarHBondContact O-CB 3.11Å; K35-Y39 PolarHBondContact O-N 3.02Å; T37-Y39 PolarHBondContact O-N 3.44Å; Y39-L41 VanDerWaalsContact C-N 3.26Å; Y39-L41 PolarHBondContact O-N 3.41Å; Y39-G42 PolarHBondContact O-N 2.57Å; Y39-V44 HydrophobicContact CD2-CG2 4.1Å; Y39-V44 HydrophobicContact CE2-CG2 4.17Å; Y39-L47 HydrophobicContact CD2-CD1 4.3Å |
| 40 | Q | 82 | Confident | 76.7 | Confident | 140 Ų | 140 | 92.3 Ų | 92.3 | 65% | 0.654 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.2 | -28.3 | 174.9 | -73.1 | 176 | -38.4 | 0 | 0 | 113.1 | K36 T37 W38 G42 | K36-Q40 VanDerWaalsContact O-CG 3.27Å; K36-Q40 WeakPolarHBondContact O-CG 3.32Å; K36-Q40 PolarHBondContact O-N 3.45Å; K36-Q40 VanDerWaalsContact O-N 3.07Å; T37-Q40 WeakPolarHBondContact O-CB 3.48Å; T37-Q40 PolarHBondContact O-N 3.34Å; W38-Q40 VanDerWaalsContact C-N 3.32Å; Q40-G42 VanDerWaalsContact C-N 3.34Å |
| 41 | L | 84.3 | Confident | 76.2 | Confident | 112 Ų | 112 | 88.5 Ų | 88.5 | 59% | 0.586 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4 | 176.4 | -65.5 | 171.4 | 0 | 0 | 0 | 113.6 | T37 W38 Y39 H43 | T37-L41 HydrophobicContact CG2-CD1 4.15Å; T37-L41 WeakPolarHBondContact O-CG 3.45Å; T37-L41 PolarHBondContact O-N 2.86Å; W38-L41 CarbonylContact O-C 3.59Å; W38-L41 PolarHBondContact O-N 2.88Å; Y39-L41 VanDerWaalsContact C-N 3.26Å; Y39-L41 PolarHBondContact O-N 3.41Å; L41-H43 PolarHBondContact O-CD2 2.69Å |
| 42 | G | 80.4 | Confident | 75.7 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 60% | 0.598 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 10.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | W38 Y39 Q40 V44 | W38-G42 PolarHBondContact O-N 3.24Å; Y39-G42 PolarHBondContact O-N 2.57Å; Q40-G42 VanDerWaalsContact C-N 3.34Å; G42-V44 VanDerWaalsContact C-N 3.34Å; G42-V44 PolarHBondContact O-N 3.47Å; G42-V44 VanDerWaalsContact O-N 3.16Å |
| 43 | H | 73.6 | Confident | 75.4 | Confident | 77 Ų | 77 | 92 Ų | 92 | 36% | 0.356 | 46% | 0.455 | S | S | . | . | trans | -90 | 58.6 | -178.7 | -68 | -98.3 | 0 | 0 | 0 | 112.5 | W38 L41 S45 Q46 | W38-H43 HydrophobicContact CE3-CB 3.53Å; W38-H43 AromaticContact CE3-CD2 3.69Å; W38-H43 AromaticContact CE3-CG 3.51Å; W38-H43 HydrophobicContact CZ3-CB 4.09Å; W38-H43 AromaticContact CZ3-CD2 3.87Å; W38-H43 AromaticContact CZ3-CG 3.67Å; W38-H43 AromaticContact CZ3-ND1 3.78Å; W38-H43 PolarHBondContact O-N 3.13Å; W38-H43 VanDerWaalsContact O-N 3.16Å; L41-H43 PolarHBondContact O-CD2 2.69Å; H43-S45 PolarHBondContact O-N 3.13Å; H43-Q46 PolarHBondContact ND1-OE1 2.91Å | ||
| 44 | V | 69.3 | Low | 75 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.6 | -30.2 | -171.2 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | Y39 G42 | Y39-V44 HydrophobicContact CD2-CG2 4.1Å; Y39-V44 HydrophobicContact CE2-CG2 4.17Å; G42-V44 VanDerWaalsContact C-N 3.34Å; G42-V44 PolarHBondContact O-N 3.47Å; G42-V44 VanDerWaalsContact O-N 3.16Å |
| 45 | S | 65.2 | Low | 74.6 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 69% | 0.685 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.5 | -39 | -179.2 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | H43 L47 | H43-S45 PolarHBondContact O-N 3.13Å; S45-L47 VanDerWaalsContact C-N 3.25Å; S45-L47 PolarHBondContact O-N 3.36Å |
| 46 | Q | 68.1 | Low | 74.3 | Confident | 93 Ų | 93 | 91.7 Ų | 91.7 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.7 | -26.5 | 179.1 | -68.6 | 176 | -74.5 | 0 | 0 | 112.4 | H43 W48 E50 | H43-Q46 PolarHBondContact ND1-OE1 2.91Å; Q46-W48 VanDerWaalsContact C-N 3.31Å; Q46-W48 PolarHBondContact O-N 3.5Å; Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 2.9Å |
| 47 | L | 65.8 | Low | 73.8 | Confident | 16 Ų | 16 | 88.6 Ų | 88.6 | 8% | 0.084 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.6 | -31.6 | -179.5 | -78.8 | 171.6 | 0 | 0 | 0 | 113.7 | K35 W38 Y39 S45 T51 | K35-L47 HydrophobicContact CB-CD2 3.95Å; K35-L47 HydrophobicContact CG-CD2 3.72Å; W38-L47 HydrophobicContact CB-CD1 4.33Å; W38-L47 HydrophobicContact CB-CD2 3.82Å; W38-L47 HydrophobicContact CB-CG 4.13Å; Y39-L47 HydrophobicContact CD2-CD1 4.3Å; S45-L47 VanDerWaalsContact C-N 3.25Å; S45-L47 PolarHBondContact O-N 3.36Å; L47-T51 PolarHBondContact O-N 3.02Å; L47-T51 PolarHBondContact O-OG1 3.46Å |
| 48 | W | 70 | Confident | 73.1 | Confident | 173 Ų | 173 | 87.4 Ų | 87.4 | 66% | 0.655 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.3 | -47.7 | -177.3 | -103 | 116.2 | 0 | 0 | 0 | 112.2 | Q46 E50 T51 E52 | Q46-W48 VanDerWaalsContact C-N 3.31Å; Q46-W48 PolarHBondContact O-N 3.5Å; W48-E50 VanDerWaalsContact C-N 3.33Å; W48-E50 PolarHBondContact O-N 3.34Å; W48-T51 VanDerWaalsContact O-CB 3.27Å; W48-T51 WeakPolarHBondContact O-CB 3.47Å; W48-T51 PolarHBondContact O-N 3.01Å; W48-T51 VanDerWaalsContact O-N 3.08Å; W48-E52 PolarHBondContact O-N 2.86Å |
| 49 | D | 74 | Confident | 72.7 | Confident | 129 Ų | 129 | 90.9 Ų | 90.9 | 69% | 0.69 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -42 | 179.2 | -66.6 | -36.6 | 0 | 0 | 0 | 111.5 | T51 E52 Q53 | D49-T51 PolarHBondContact O-N 3.41Å; D49-E52 PolarHBondContact O-N 3.32Å; D49-Q53 PolarHBondContact O-N 3.45Å |
| 50 | E | 71.3 | Confident | 71.9 | Confident | 59 Ų | 59 | 90 Ų | 90 | 28% | 0.276 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.5 | -25.1 | 176.8 | -67.3 | 176.1 | 147.6 | 0 | 0 | 112.7 | Y34 Q46 W48 F54 | Y34-E50 VanDerWaalsContact CE1-OE2 3.3Å; Y34-E50 WeakPolarHBondContact CE1-OE2 3.28Å; Y34-E50 PolarHBondContact OH-OE1 3.08Å; Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 2.9Å; W48-E50 VanDerWaalsContact C-N 3.33Å; W48-E50 PolarHBondContact O-N 3.34Å; E50-F54 VanDerWaalsContact O-CB 3.24Å; E50-F54 WeakPolarHBondContact O-CB 3.28Å; E50-F54 PolarHBondContact O-N 3.33Å; E50-F54 VanDerWaalsContact O-N 3.09Å |
| 51 | T | 73.6 | Confident | 70.6 | Confident | 26 Ų | 26 | 88.4 Ų | 88.4 | 16% | 0.16 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 175.9 | -52.8 | 0 | 0 | 0 | 0 | 112.7 | K35 L47 W48 D49 F54 R55 | K35-T51 WeakPolarHBondContact CE-OG1 3.4Å; K35-T51 PolarHBondContact NZ-OG1 2.84Å; L47-T51 PolarHBondContact O-N 3.02Å; L47-T51 PolarHBondContact O-OG1 3.46Å; W48-T51 VanDerWaalsContact O-CB 3.27Å; W48-T51 WeakPolarHBondContact O-CB 3.47Å; W48-T51 PolarHBondContact O-N 3.01Å; W48-T51 VanDerWaalsContact O-N 3.08Å; D49-T51 PolarHBondContact O-N 3.41Å; T51-F54 PolarHBondContact O-N 3.43Å; T51-R55 PolarHBondContact O-N 2.91Å |
| 52 | E | 72.1 | Confident | 69.9 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 43% | 0.425 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | -178.7 | -69.9 | -58.6 | 122.9 | 0 | 0 | 110.4 | W48 D49 F54 R55 V56 | W48-E52 PolarHBondContact O-N 2.86Å; D49-E52 PolarHBondContact O-N 3.32Å; E52-F54 PolarHBondContact O-N 2.87Å; E52-R55 PolarHBondContact O-N 2.85Å; E52-V56 WeakPolarHBondContact O-CG2 3.08Å; E52-V56 PolarHBondContact O-N 3.35Å |
| 53 | Q | 74.7 | Confident | 69.4 | Low | 111 Ų | 111 | 88.7 Ų | 88.7 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.7 | -172.1 | 59.7 | 43.2 | 0 | 0 | 111.8 | D49 R55 V56 D57 | D49-Q53 PolarHBondContact O-N 3.45Å; Q53-R55 VanDerWaalsContact C-N 3.34Å; Q53-R55 PolarHBondContact O-N 2.88Å; Q53-V56 PolarHBondContact O-N 2.88Å; Q53-D57 PolarHBondContact NE2-OD1 2.96Å; Q53-D57 PolarHBondContact O-N 3.43Å |
| 54 | F | 74.1 | Confident | 69.1 | Low | 31 Ų | 31 | 89.4 Ų | 89.4 | 14% | 0.136 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 179.8 | -174.6 | -105.4 | 0 | 0 | 0 | 113.6 | T27 I28 F31 E50 T51 E52 D57 I58 | T27-F54 HydrophobicContact CG2-CE2 3.5Å; T27-F54 VanDerWaalsContact CG2-CE2 3.5Å; T27-F54 HydrophobicContact CG2-CZ 3.8Å; T27-F54 WeakPolarHBondContact O-CZ 3.42Å; I28-F54 HydrophobicContact CG1-CE1 4.31Å; I28-F54 HydrophobicContact CG1-CZ 4.32Å; F31-F54 HydrophobicContact CB-CD1 4.02Å; F31-F54 HydrophobicContact CB-CD2 3.87Å; F31-F54 HydrophobicContact CB-CE1 3.49Å; F31-F54 VanDerWaalsContact CB-CE1 3.49Å; F31-F54 HydrophobicContact CB-CE2 3.38Å; F31-F54 HydrophobicContact CB-CG 4.17Å; F31-F54 HydrophobicContact CB-CZ 3.17Å; F31-F54 HydrophobicContact CD1-CB 4.31Å; F31-F54 AromaticContact CD1-CD1 3.15Å; F31-F54 HydrophobicContact CD1-CD1 3.15Å; F31-F54 HydrophobicContact CD1-CD2 4.2Å; F31-F54 AromaticContact CD1-CE1 3.31Å; F31-F54 HydrophobicContact CD1-CE1 3.31Å; F31-F54 HydrophobicContact CD1-CE2 4.36Å; F31-F54 AromaticContact CD1-CG 3.62Å; F31-F54 HydrophobicContact CD1-CG 3.62Å; F31-F54 AromaticContact CD1-CZ 3.96Å; F31-F54 HydrophobicContact CD1-CZ 3.96Å; F31-F54 HydrophobicContact CD2-CB 3.85Å; F31-F54 AromaticContact CD2-CD1 3.88Å; F31-F54 HydrophobicContact CD2-CD1 3.88Å; F31-F54 AromaticContact CD2-CD2 3.36Å; F31-F54 HydrophobicContact CD2-CD2 3.36Å; F31-F54 HydrophobicContact CD2-CE1 4.24Å; F31-F54 AromaticContact CD2-CE2 3.81Å; F31-F54 HydrophobicContact CD2-CE2 3.81Å; F31-F54 AromaticContact CD2-CG 3.4Å; F31-F54 HydrophobicContact CD2-CG 3.4Å; F31-F54 VanDerWaalsContact CD2-CG 3.4Å; F31-F54 HydrophobicContact CD2-CZ 4.23Å; F31-F54 HydrophobicContact CE1-CB 3.9Å; F31-F54 AromaticContact CE1-CD1 3.4Å; F31-F54 HydrophobicContact CE1-CD1 3.4Å; F31-F54 HydrophobicContact CE1-CE1 4.05Å; F31-F54 AromaticContact CE1-CG 3.72Å; F31-F54 HydrophobicContact CE1-CG 3.72Å; F31-F54 HydrophobicContact CE2-CB 3.44Å; F31-F54 VanDerWaalsContact CE2-CB 3.44Å; F31-F54 HydrophobicContact CE2-CD1 4.12Å; F31-F54 AromaticContact CE2-CD2 3.89Å; F31-F54 HydrophobicContact CE2-CD2 3.89Å; F31-F54 AromaticContact CE2-CG 3.55Å; F31-F54 HydrophobicContact CE2-CG 3.55Å; F31-F54 HydrophobicContact CG-CB 4.27Å; F31-F54 AromaticContact CG-CD1 3.4Å; F31-F54 HydrophobicContact CG-CD1 3.4Å; F31-F54 AromaticContact CG-CD2 3.55Å; F31-F54 HydrophobicContact CG-CD2 3.55Å; F31-F54 AromaticContact CG-CE1 3.41Å; F31-F54 HydrophobicContact CG-CE1 3.41Å; F31-F54 VanDerWaalsContact CG-CE1 3.41Å; F31-F54 AromaticContact CG-CE2 3.6Å; F31-F54 HydrophobicContact CG-CE2 3.6Å; F31-F54 AromaticContact CG-CG 3.45Å; F31-F54 HydrophobicContact CG-CG 3.45Å; F31-F54 VanDerWaalsContact CG-CG 3.45Å; F31-F54 AromaticContact CG-CZ 3.55Å; F31-F54 HydrophobicContact CG-CZ 3.55Å; F31-F54 HydrophobicContact CZ-CB 3.47Å; F31-F54 VanDerWaalsContact CZ-CB 3.47Å; F31-F54 AromaticContact CZ-CD1 3.9Å; F31-F54 HydrophobicContact CZ-CD1 3.9Å; F31-F54 HydrophobicContact CZ-CD2 4.47Å; F31-F54 AromaticContact CZ-CG 3.7Å; F31-F54 HydrophobicContact CZ-CG 3.7Å; E50-F54 VanDerWaalsContact O-CB 3.24Å; E50-F54 WeakPolarHBondContact O-CB 3.28Å; E50-F54 PolarHBondContact O-N 3.33Å; E50-F54 VanDerWaalsContact O-N 3.09Å; T51-F54 PolarHBondContact O-N 3.43Å; E52-F54 PolarHBondContact O-N 2.87Å; F54-D57 PolarHBondContact O-N 2.84Å; F54-I58 HydrophobicContact CD1-CD1 3.69Å; F54-I58 HydrophobicContact CE1-CD1 3.07Å; F54-I58 HydrophobicContact CE1-CG1 4.1Å; F54-I58 HydrophobicContact CE2-CD1 4.23Å; F54-I58 HydrophobicContact CE2-CG1 4.49Å; F54-I58 HydrophobicContact CG-CD1 4.48Å; F54-I58 HydrophobicContact CZ-CD1 3.37Å; F54-I58 HydrophobicContact CZ-CG1 4.03Å; F54-I58 PolarHBondContact O-N 2.66Å; F54-I58 VanDerWaalsContact O-N 3.16Å |
| 55 | R | 71.7 | Confident | 69.1 | Low | 137 Ų | 137 | 90.2 Ų | 90.2 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 173.3 | 176.8 | -166.7 | -75.9 | -92.5 | 2.9 | 110.6 | T51 E52 Q53 D57 I58 E59 | T51-R55 PolarHBondContact O-N 2.91Å; E52-R55 PolarHBondContact O-N 2.85Å; Q53-R55 VanDerWaalsContact C-N 3.34Å; Q53-R55 PolarHBondContact O-N 2.88Å; R55-D57 VanDerWaalsContact C-N 3.34Å; R55-D57 PolarHBondContact O-N 2.96Å; R55-I58 PolarHBondContact O-N 3.01Å; R55-E59 PolarHBondContact O-N 3.01Å; R55-E59 VanDerWaalsContact O-N 3.13Å |
| 56 | V | 73.6 | Confident | 69.4 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 40% | 0.4 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 179.2 | 173.6 | 0 | 0 | 0 | 0 | 111 | E52 Q53 I58 E59 L60 | E52-V56 WeakPolarHBondContact O-CG2 3.08Å; E52-V56 PolarHBondContact O-N 3.35Å; Q53-V56 PolarHBondContact O-N 2.88Å; V56-I58 VanDerWaalsContact C-N 3.32Å; V56-I58 PolarHBondContact O-N 3.37Å; V56-E59 PolarHBondContact O-N 2.86Å; V56-L60 HydrophobicContact CG1-CD1 3.77Å; V56-L60 HydrophobicContact CG1-CG 4.46Å; V56-L60 WeakPolarHBondContact O-CG 3.27Å; V56-L60 PolarHBondContact O-N 3.14Å; V56-L60 VanDerWaalsContact O-N 3.15Å |
| 57 | D | 69.3 | Low | 69.5 | Low | 78 Ų | 78 | 89.5 Ų | 89.5 | 42% | 0.417 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.1 | -34.2 | -178.9 | -67.2 | -21.6 | 0 | 0 | 0 | 112.7 | Q53 F54 R55 V61 | Q53-D57 PolarHBondContact NE2-OD1 2.96Å; Q53-D57 PolarHBondContact O-N 3.43Å; F54-D57 PolarHBondContact O-N 2.84Å; R55-D57 VanDerWaalsContact C-N 3.34Å; R55-D57 PolarHBondContact O-N 2.96Å; D57-V61 WeakPolarHBondContact O-CG2 3.46Å |
| 58 | I | 68.7 | Low | 69.7 | Low | 41 Ų | 41 | 94.8 Ų | 94.8 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -72.3 | -38.2 | 174.9 | -71.2 | 170.2 | 0 | 0 | 0 | 112.2 | I28 F54 R55 V56 L60 V61 | I28-I58 HydrophobicContact CD1-CD1 4.05Å; I28-I58 HydrophobicContact CG1-CD1 3.37Å; I28-I58 HydrophobicContact CG1-CG1 4.4Å; F54-I58 HydrophobicContact CD1-CD1 3.69Å; F54-I58 HydrophobicContact CE1-CD1 3.07Å; F54-I58 HydrophobicContact CE1-CG1 4.1Å; F54-I58 HydrophobicContact CE2-CD1 4.23Å; F54-I58 HydrophobicContact CE2-CG1 4.49Å; F54-I58 HydrophobicContact CG-CD1 4.48Å; F54-I58 HydrophobicContact CZ-CD1 3.37Å; F54-I58 HydrophobicContact CZ-CG1 4.03Å; F54-I58 PolarHBondContact O-N 2.66Å; F54-I58 VanDerWaalsContact O-N 3.16Å; R55-I58 PolarHBondContact O-N 3.01Å; V56-I58 VanDerWaalsContact C-N 3.32Å; V56-I58 PolarHBondContact O-N 3.37Å; I58-L60 PolarHBondContact O-N 2.9Å; I58-V61 PolarHBondContact O-N 3.03Å |
| 59 | E | 68.2 | Low | 69.7 | Low | 139 Ų | 139 | 88.8 Ų | 88.8 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.4 | -22.3 | -179.8 | -74.1 | -178.4 | -172 | 0 | 0 | 112.3 | R55 V56 | R55-E59 PolarHBondContact O-N 3.01Å; R55-E59 VanDerWaalsContact O-N 3.13Å; V56-E59 PolarHBondContact O-N 2.86Å |
| 60 | L | 59.2 | Low | 69.3 | Low | 139 Ų | 139 | 85.4 Ų | 85.4 | 73% | 0.728 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -11.5 | 178.6 | -71.3 | 171.1 | 0 | 0 | 0 | 115.1 | V56 I58 | V56-L60 HydrophobicContact CG1-CD1 3.77Å; V56-L60 HydrophobicContact CG1-CG 4.46Å; V56-L60 WeakPolarHBondContact O-CG 3.27Å; V56-L60 PolarHBondContact O-N 3.14Å; V56-L60 VanDerWaalsContact O-N 3.15Å; I58-L60 PolarHBondContact O-N 2.9Å |
| 61 | V | 55.9 | Low | 69.2 | Low | 107 Ų | 107 | 87.8 Ų | 87.8 | 65% | 0.648 | 44% | 0.437 | S | S | * | . | trans | -101 | 0 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | K24 D57 I58 | K24-V61 WeakPolarHBondContact CE-O 3.39Å; K24-V61 WeakPolarHBondContact CE-OXT 3.45Å; K24-V61 HydrophobicContact CG-CG1 4.29Å; K24-V61 PolarHBondContact NZ-O 3.16Å; K24-V61 PolarHBondContact NZ-OXT 3.2Å; D57-V61 WeakPolarHBondContact O-CG2 3.46Å; I58-V61 PolarHBondContact O-N 3.03Å |
Retrieved 61 of 61 residues in 41.5 ms
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