| 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 | 46.4 | Very low | 72.3 | Confident | 243 Ų | 243 | 133.2 Ų | 133.2 | 100% | 1.197 | 77% | 0.768 | S | S | * | * | 0 | 92.9 | 0 | -139.5 | 71.3 | 161.7 | 0 | 0 | 106.3 | |||||
| 2 | G | 52.9 | Low | 73.8 | Confident | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -82.7 | 132.4 | -174 | 0 | 0 | 0 | 0 | 0 | 111.1 | G4 | G2-G4 PolarHBondContact O-N 2.65Š| ||
| 3 | D | 56.3 | Low | 75.1 | Confident | 165 Ų | 165 | 126.5 Ų | 126.5 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | trans | -61.2 | 96.7 | 173.2 | -80.7 | -56.6 | 0 | 0 | 0 | 110.6 | K5 | D3-K5 PolarHBondContact O-N 3.08Š| ||
| 4 | G | 62.6 | Low | 76.2 | Confident | 76 Ų | 76 | 123.6 Ų | 123.6 | 78% | 0.784 | 71% | 0.71 | S | S | * | * | trans | -72.4 | 91 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G2 A6 | G2-G4 PolarHBondContact O-N 2.65Å; G4-A6 PolarHBondContact O-N 2.96Å | ||
| 5 | K | 71.9 | Confident | 77 | Confident | 190 Ų | 190 | 124.5 Ų | 124.5 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 107.8 | 170.4 | -78.1 | -174.7 | 176.6 | 178.6 | 0 | 109.2 | D3 V7 | D3-K5 PolarHBondContact O-N 3.08Å; K5-V7 PolarHBondContact O-N 3.22Å | ||
| 6 | A | 76.1 | Confident | 77.8 | Confident | 100 Ų | 100 | 121.6 Ų | 121.6 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -63.5 | 115.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G4 | G4-A6 PolarHBondContact O-N 2.96Š| ||
| 7 | V | 81.1 | Confident | 78.5 | Confident | 120 Ų | 120 | 123.2 Ų | 123.2 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -86.7 | 126.2 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | K5 I9 | K5-V7 PolarHBondContact O-N 3.22Å; V7-I9 HydrophobicContact CG1-CG2 4.04Å; V7-I9 PolarHBondContact O-N 2.97Å | ||
| 8 | R | 84.1 | Confident | 79.1 | Confident | 245 Ų | 245 | 123.3 Ų | 123.3 | 93% | 0.925 | 68% | 0.676 | S | S | * | * | trans | -82.2 | 115.7 | 174.3 | -63.7 | -178.6 | 69.6 | 173 | 1.8 | 108.4 | ||||
| 9 | I | 86.3 | Confident | 79.6 | Confident | 87 Ų | 87 | 121.6 Ų | 121.6 | 45% | 0.446 | 67% | 0.665 | S | S | . | * | trans | -112.4 | 157.4 | 175.8 | 62.4 | 177 | 0 | 0 | 0 | 110.3 | V7 E13 M14 | V7-I9 HydrophobicContact CG1-CG2 4.04Å; V7-I9 PolarHBondContact O-N 2.97Å; I9-E13 HydrophobicContact CB-CB 4.23Å; I9-M14 HydrophobicContact CD1-CB 3.74Å; I9-M14 HydrophobicContact CD1-CG 4.28Å; I9-M14 HydrophobicContact CG1-CB 4.19Å | ||
| 10 | S | 90.1 | Very high | 80.1 | Confident | 55 Ų | 55 | 123.6 Ų | 123.6 | 39% | 0.385 | 66% | 0.664 | S | S | . | * | trans | -69.7 | 158.6 | 173 | 70 | 0 | 0 | 0 | 0 | 111.3 | A12 E13 M14 | S10-A12 PolarHBondContact O-N 3.22Å; S10-E13 VanDerWaalsContact CB-OE2 3.26Å; S10-E13 WeakPolarHBondContact CB-OE2 3.43Å; S10-E13 PolarHBondContact N-OE2 3.29Å; S10-E13 PolarHBondContact O-N 2.8Å; S10-E13 VanDerWaalsContact OG-CD 3.3Å; S10-E13 VanDerWaalsContact OG-CG 3.29Å; S10-E13 WeakPolarHBondContact OG-CG 3.22Å; S10-E13 PolarHBondContact OG-N 3.05Å; S10-E13 PolarHBondContact OG-OE2 3.27Å; S10-M14 PolarHBondContact O-N 3.32Å | ||
| 11 | V | 87.5 | Confident | 80.3 | Confident | 106 Ų | 106 | 120.3 Ų | 120.3 | 64% | 0.642 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.1 | -31.7 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | K15 | V11-K15 WeakPolarHBondContact O-CG 3.24Å; V11-K15 PolarHBondContact O-N 2.95Å; V11-K15 VanDerWaalsContact O-N 3.16Å |
| 12 | A | 90.6 | Very high | 82.3 | Confident | 67 Ų | 67 | 114.9 Ų | 114.9 | 55% | 0.554 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.7 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S10 M14 K15 S16 | S10-A12 PolarHBondContact O-N 3.22Å; A12-M14 VanDerWaalsContact C-N 3.32Å; A12-M14 PolarHBondContact O-N 3.01Å; A12-K15 PolarHBondContact O-N 3Å; A12-S16 PolarHBondContact O-N 3.32Å; A12-S16 PolarHBondContact O-OG 2.84Å |
| 13 | E | 90.4 | Very high | 83.8 | Confident | 112 Ų | 112 | 118.5 Ų | 118.5 | 52% | 0.523 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.8 | -38.3 | 177.3 | -70 | 162.8 | 130.9 | 0 | 0 | 112 | I9 S10 K15 S16 Y17 | I9-E13 HydrophobicContact CB-CB 4.23Å; S10-E13 VanDerWaalsContact CB-OE2 3.26Å; S10-E13 WeakPolarHBondContact CB-OE2 3.43Å; S10-E13 PolarHBondContact N-OE2 3.29Å; S10-E13 PolarHBondContact O-N 2.8Å; S10-E13 VanDerWaalsContact OG-CD 3.3Å; S10-E13 VanDerWaalsContact OG-CG 3.29Å; S10-E13 WeakPolarHBondContact OG-CG 3.22Å; S10-E13 PolarHBondContact OG-N 3.05Å; S10-E13 PolarHBondContact OG-OE2 3.27Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 2.83Å; E13-S16 PolarHBondContact O-N 3.24Å; E13-Y17 WeakPolarHBondContact O-CB 3.41Å; E13-Y17 PolarHBondContact O-N 3.5Å |
| 14 | M | 90.3 | Very high | 84.9 | Confident | 86 Ų | 86 | 112.6 Ų | 112.6 | 42% | 0.424 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.8 | -45.1 | 175.2 | -174.3 | 164.6 | -173.6 | 0 | 0 | 111.3 | I9 S10 A12 Y17 Y18 | I9-M14 HydrophobicContact CD1-CB 3.74Å; I9-M14 HydrophobicContact CD1-CG 4.28Å; I9-M14 HydrophobicContact CG1-CB 4.19Å; S10-M14 PolarHBondContact O-N 3.32Å; A12-M14 VanDerWaalsContact C-N 3.32Å; A12-M14 PolarHBondContact O-N 3.01Å; M14-Y17 PolarHBondContact O-N 3.33Å; M14-Y18 HydrophobicContact CE-CE2 3.51Å; M14-Y18 WeakPolarHBondContact CE-OH 3.49Å; M14-Y18 HydrophobicContact CG-CD2 3.9Å; M14-Y18 HydrophobicContact CG-CE2 3.48Å; M14-Y18 VanDerWaalsContact CG-CE2 3.48Å; M14-Y18 WeakPolarHBondContact O-CD2 3.5Å; M14-Y18 PolarHBondContact O-N 2.92Å; M14-Y18 HydrophobicContact SD-CE2 4.31Å |
| 15 | K | 89.1 | Confident | 85.9 | Confident | 137 Ų | 137 | 112.7 Ų | 112.7 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.9 | -43.2 | 175.7 | -72.4 | 176.6 | -180 | -175.4 | 0 | 112.2 | V11 A12 E13 Y17 Y18 L19 | V11-K15 WeakPolarHBondContact O-CG 3.24Å; V11-K15 PolarHBondContact O-N 2.95Å; V11-K15 VanDerWaalsContact O-N 3.16Å; A12-K15 PolarHBondContact O-N 3Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 2.83Å; K15-Y17 VanDerWaalsContact C-N 3.29Å; K15-Y17 PolarHBondContact O-N 3.43Å; K15-Y18 PolarHBondContact O-N 3.01Å; K15-L19 WeakPolarHBondContact O-CG 3.28Å; K15-L19 PolarHBondContact O-N 3.12Å |
| 16 | S | 89.9 | Confident | 86.3 | Confident | 78 Ų | 78 | 111 Ų | 111 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -39.2 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | A12 E13 Y20 | A12-S16 PolarHBondContact O-N 3.32Å; A12-S16 PolarHBondContact O-OG 2.84Å; E13-S16 PolarHBondContact O-N 3.24Å; S16-Y20 WeakPolarHBondContact O-CB 3.48Å; S16-Y20 PolarHBondContact O-N 3.34Å |
| 17 | Y | 89.8 | Confident | 86.3 | Confident | 149 Ų | 149 | 111.2 Ų | 111.2 | 58% | 0.584 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -46.4 | 175.6 | 174.9 | -96 | 0 | 0 | 0 | 112.1 | E13 M14 K15 Y20 S21 | E13-Y17 WeakPolarHBondContact O-CB 3.41Å; E13-Y17 PolarHBondContact O-N 3.5Å; M14-Y17 PolarHBondContact O-N 3.33Å; K15-Y17 VanDerWaalsContact C-N 3.29Å; K15-Y17 PolarHBondContact O-N 3.43Å; Y17-Y20 PolarHBondContact O-N 3.21Å; Y17-S21 WeakPolarHBondContact O-CB 3.35Å; Y17-S21 PolarHBondContact O-N 3.29Å |
| 18 | Y | 87.7 | Confident | 85.8 | Confident | 126 Ų | 126 | 110.7 Ų | 110.7 | 49% | 0.494 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.7 | -78.1 | -66.2 | 0 | 0 | 0 | 112 | M14 K15 Y20 S21 E22 | M14-Y18 HydrophobicContact CE-CE2 3.51Å; M14-Y18 WeakPolarHBondContact CE-OH 3.49Å; M14-Y18 HydrophobicContact CG-CD2 3.9Å; M14-Y18 HydrophobicContact CG-CE2 3.48Å; M14-Y18 VanDerWaalsContact CG-CE2 3.48Å; M14-Y18 WeakPolarHBondContact O-CD2 3.5Å; M14-Y18 PolarHBondContact O-N 2.92Å; M14-Y18 HydrophobicContact SD-CE2 4.31Å; K15-Y18 PolarHBondContact O-N 3.01Å; Y18-Y20 PolarHBondContact O-N 3.38Å; Y18-S21 WeakPolarHBondContact O-CB 3.37Å; Y18-S21 PolarHBondContact O-N 3.41Å; Y18-E22 WeakPolarHBondContact O-CG 3.26Å; Y18-E22 PolarHBondContact O-N 3.22Å |
| 19 | L | 89.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.5 | -54.7 | 173.6 | -70.6 | 170.8 | 0 | 0 | 0 | 109.7 | K15 S21 E22 W23 | K15-L19 WeakPolarHBondContact O-CG 3.28Å; K15-L19 PolarHBondContact O-N 3.12Å; L19-S21 VanDerWaalsContact C-N 3.25Å; L19-S21 PolarHBondContact O-N 2.74Å; L19-E22 PolarHBondContact O-N 3.29Å; L19-W23 PolarHBondContact O-N 3.43Å |
| 20 | Y | 88.9 | Confident | 84 | Confident | 161 Ų | 161 | 101.3 Ų | 101.3 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.3 | -42.1 | 179.1 | -176.5 | -94.2 | 0 | 0 | 0 | 112.7 | S16 Y17 Y18 W23 C24 | S16-Y20 WeakPolarHBondContact O-CB 3.48Å; S16-Y20 PolarHBondContact O-N 3.34Å; Y17-Y20 PolarHBondContact O-N 3.21Å; Y18-Y20 PolarHBondContact O-N 3.38Å; Y20-W23 PolarHBondContact O-N 3.4Å; Y20-C24 WeakPolarHBondContact CE1-SG 3.19Å; Y20-C24 WeakPolarHBondContact O-CB 3.49Å; Y20-C24 PolarHBondContact O-N 2.87Å; Y20-C24 PolarHBondContact O-SG 3.43Å; Y20-C24 VanDerWaalsContact O-SG 3.36Å |
| 21 | S | 85.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 101.8 Ų | 101.8 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.8 | -172 | 0 | 0 | 0 | 0 | 112.8 | Y17 Y18 L19 C24 S25 | Y17-S21 WeakPolarHBondContact O-CB 3.35Å; Y17-S21 PolarHBondContact O-N 3.29Å; Y18-S21 WeakPolarHBondContact O-CB 3.37Å; Y18-S21 PolarHBondContact O-N 3.41Å; L19-S21 VanDerWaalsContact C-N 3.25Å; L19-S21 PolarHBondContact O-N 2.74Å; S21-C24 PolarHBondContact O-N 2.99Å; S21-S25 WeakPolarHBondContact O-CB 3.4Å; S21-S25 PolarHBondContact O-N 3.34Å |
| 22 | E | 87.4 | Confident | 81.1 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 175.5 | -73 | -175.8 | 119 | 0 | 0 | 111.5 | Y18 L19 S25 W26 | Y18-E22 WeakPolarHBondContact O-CG 3.26Å; Y18-E22 PolarHBondContact O-N 3.22Å; L19-E22 PolarHBondContact O-N 3.29Å; E22-S25 PolarHBondContact O-N 2.69Å; E22-W26 WeakPolarHBondContact O-CB 3.32Å; E22-W26 PolarHBondContact O-N 2.95Å |
| 23 | W | 84.5 | Confident | 79.3 | Confident | 154 Ų | 154 | 106.5 Ų | 106.5 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 174.2 | -80.2 | 93.1 | 0 | 0 | 0 | 111.9 | L19 Y20 W26 L27 | L19-W23 PolarHBondContact O-N 3.43Å; Y20-W23 PolarHBondContact O-N 3.4Å; W23-W26 HydrophobicContact CE3-CE3 4.15Å; W23-W26 HydrophobicContact CE3-CZ3 4.26Å; W23-W26 HydrophobicContact CZ3-CE3 4.33Å; W23-W26 HydrophobicContact CZ3-CZ3 4.01Å; W23-W26 PolarHBondContact O-N 3.33Å; W23-L27 WeakPolarHBondContact O-CB 3.27Å; W23-L27 WeakPolarHBondContact O-CG 3.39Å; W23-L27 PolarHBondContact O-N 3.11Å |
| 24 | C | 80.4 | Confident | 77.5 | Confident | 41 Ų | 41 | 107.4 Ų | 107.4 | 28% | 0.277 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.1 | -75.9 | 0 | 0 | 0 | 0 | 111.8 | Y20 S21 W26 L27 L28 | Y20-C24 WeakPolarHBondContact CE1-SG 3.19Å; Y20-C24 WeakPolarHBondContact O-CB 3.49Å; Y20-C24 PolarHBondContact O-N 2.87Å; Y20-C24 PolarHBondContact O-SG 3.43Å; Y20-C24 VanDerWaalsContact O-SG 3.36Å; S21-C24 PolarHBondContact O-N 2.99Å; C24-W26 VanDerWaalsContact C-N 3.33Å; C24-W26 PolarHBondContact O-N 2.82Å; C24-L27 PolarHBondContact O-N 3.35Å; C24-L28 WeakPolarHBondContact O-CB 3.32Å; C24-L28 WeakPolarHBondContact O-CD1 3.45Å; C24-L28 VanDerWaalsContact O-CG 3.26Å; C24-L28 WeakPolarHBondContact O-CG 3.34Å; C24-L28 PolarHBondContact O-N 3.04Å |
| 25 | S | 82.4 | Confident | 76 | Confident | 78 Ų | 78 | 110.1 Ų | 110.1 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 177.7 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | S21 E22 S29 | S21-S25 WeakPolarHBondContact O-CB 3.4Å; S21-S25 PolarHBondContact O-N 3.34Å; E22-S25 PolarHBondContact O-N 2.69Å; S25-S29 WeakPolarHBondContact O-CB 3.46Å; S25-S29 PolarHBondContact O-N 3.28Å |
| 26 | W | 81.8 | Confident | 74.3 | Confident | 154 Ų | 154 | 111.8 Ų | 111.8 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -44.4 | 175.6 | -178.4 | 62.4 | 0 | 0 | 0 | 111.5 | E22 W23 C24 L28 S29 V30 | E22-W26 WeakPolarHBondContact O-CB 3.32Å; E22-W26 PolarHBondContact O-N 2.95Å; W23-W26 HydrophobicContact CE3-CE3 4.15Å; W23-W26 HydrophobicContact CE3-CZ3 4.26Å; W23-W26 HydrophobicContact CZ3-CE3 4.33Å; W23-W26 HydrophobicContact CZ3-CZ3 4.01Å; W23-W26 PolarHBondContact O-N 3.33Å; C24-W26 VanDerWaalsContact C-N 3.33Å; C24-W26 PolarHBondContact O-N 2.82Å; W26-L28 VanDerWaalsContact C-N 3.33Å; W26-L28 PolarHBondContact O-N 3.38Å; W26-S29 WeakPolarHBondContact O-CB 3.48Å; W26-S29 PolarHBondContact O-N 2.93Å; W26-V30 HydrophobicContact CZ2-CG2 4.48Å; W26-V30 WeakPolarHBondContact O-CG2 3.37Å; W26-V30 PolarHBondContact O-N 3.39Å |
| 27 | L | 74.4 | Confident | 72.6 | Confident | 105 Ų | 105 | 115.2 Ų | 115.2 | 55% | 0.55 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.2 | -41.5 | 173.7 | -82.7 | 167.2 | 0 | 0 | 0 | 112.4 | W23 C24 V30 A31 | W23-L27 WeakPolarHBondContact O-CB 3.27Å; W23-L27 WeakPolarHBondContact O-CG 3.39Å; W23-L27 PolarHBondContact O-N 3.11Å; C24-L27 PolarHBondContact O-N 3.35Å; L27-V30 PolarHBondContact O-N 3.18Å; L27-A31 PolarHBondContact O-N 2.72Å; L27-A31 VanDerWaalsContact O-N 3.09Å |
| 28 | L | 72.3 | Confident | 70.5 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 58% | 0.576 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -41.2 | 175 | -75.3 | 164.1 | 0 | 0 | 0 | 111.4 | C24 W26 V30 A31 E32 | C24-L28 WeakPolarHBondContact O-CB 3.32Å; C24-L28 WeakPolarHBondContact O-CD1 3.45Å; C24-L28 VanDerWaalsContact O-CG 3.26Å; C24-L28 WeakPolarHBondContact O-CG 3.34Å; C24-L28 PolarHBondContact O-N 3.04Å; W26-L28 VanDerWaalsContact C-N 3.33Å; W26-L28 PolarHBondContact O-N 3.38Å; L28-V30 VanDerWaalsContact C-N 3.35Å; L28-V30 PolarHBondContact O-N 3.37Å; L28-A31 PolarHBondContact O-N 2.97Å; L28-E32 WeakPolarHBondContact O-CG 3.43Å; L28-E32 PolarHBondContact O-N 3.02Å |
| 29 | S | 68.8 | Low | 68.6 | Low | 56 Ų | 56 | 117.3 Ų | 117.3 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.6 | -38.7 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | S25 W26 A31 E32 D33 | S25-S29 WeakPolarHBondContact O-CB 3.46Å; S25-S29 PolarHBondContact O-N 3.28Å; W26-S29 WeakPolarHBondContact O-CB 3.48Å; W26-S29 PolarHBondContact O-N 2.93Å; S29-A31 VanDerWaalsContact C-N 3.31Å; S29-E32 PolarHBondContact O-N 2.68Å; S29-D33 PolarHBondContact O-N 2.74Å; S29-D33 VanDerWaalsContact O-N 3.12Å |
| 30 | V | 63.1 | Low | 67.1 | Low | 78 Ų | 78 | 119.2 Ų | 119.2 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.7 | -33.6 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | W26 L27 L28 | W26-V30 HydrophobicContact CZ2-CG2 4.48Å; W26-V30 WeakPolarHBondContact O-CG2 3.37Å; W26-V30 PolarHBondContact O-N 3.39Å; L27-V30 PolarHBondContact O-N 3.18Å; L28-V30 VanDerWaalsContact C-N 3.35Å; L28-V30 PolarHBondContact O-N 3.37Å |
| 31 | A | 60.3 | Low | 65.9 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.7 | -28.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L27 L28 S29 | L27-A31 PolarHBondContact O-N 2.72Å; L27-A31 VanDerWaalsContact O-N 3.09Å; L28-A31 PolarHBondContact O-N 2.97Å; S29-A31 VanDerWaalsContact C-N 3.31Å |
| 32 | E | 56.1 | Low | 65.5 | Low | 137 Ų | 137 | 119.6 Ų | 119.6 | 64% | 0.64 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.9 | -20.3 | 176.6 | -74 | 179.8 | 169.2 | 0 | 0 | 113.3 | L28 S29 E34 I35 | L28-E32 WeakPolarHBondContact O-CG 3.43Å; L28-E32 PolarHBondContact O-N 3.02Å; S29-E32 PolarHBondContact O-N 2.68Å; E32-E34 PolarHBondContact O-N 2.95Å; E32-I35 WeakPolarHBondContact O-CD1 3.49Å; E32-I35 VanDerWaalsContact O-CG1 3.27Å; E32-I35 WeakPolarHBondContact O-CG1 3.28Å |
| 33 | D | 53.8 | Low | 65.5 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 0.7 | 172.7 | -85.6 | -38.5 | 0 | 0 | 0 | 113.4 | S29 I35 | S29-D33 PolarHBondContact O-N 2.74Å; S29-D33 VanDerWaalsContact O-N 3.12Å; D33-I35 PolarHBondContact O-N 2.91Å |
| 34 | E | 52.5 | Low | 65.8 | Low | 132 Ų | 132 | 111 Ų | 111 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | trans | -74.6 | 30.9 | 170.7 | -63.3 | -130.5 | 140.5 | 0 | 0 | 113.7 | E32 M36 | E32-E34 PolarHBondContact O-N 2.95Å; E34-M36 VanDerWaalsContact C-N 3.29Å; E34-M36 PolarHBondContact O-N 3.31Å | ||
| 35 | I | 58.1 | Low | 66.4 | Low | 142 Ų | 142 | 111 Ų | 111 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 8.4 | -177.2 | -72 | 166.9 | 0 | 0 | 0 | 113.4 | E32 D33 | E32-I35 WeakPolarHBondContact O-CD1 3.49Å; E32-I35 VanDerWaalsContact O-CG1 3.27Å; E32-I35 WeakPolarHBondContact O-CG1 3.28Å; D33-I35 PolarHBondContact O-N 2.91Å |
| 36 | M | 53.6 | Low | 67 | Low | 172 Ų | 172 | 110.9 Ų | 110.9 | 85% | 0.847 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 22.8 | -179.7 | -73 | -69 | -74.3 | 0 | 0 | 116.3 | E34 | E34-M36 VanDerWaalsContact C-N 3.29Å; E34-M36 PolarHBondContact O-N 3.31Å |
| 37 | H | 54 | Low | 67.6 | Low | 150 Ų | 150 | 108.5 Ų | 108.5 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -115.3 | 121.2 | 160.8 | -69.9 | -39.3 | 0 | 0 | 0 | 107.7 | D39 | H37-D39 PolarHBondContact O-N 2.99Å; H37-D39 VanDerWaalsContact O-N 3.09Å |
| 38 | Q | 46 | Very low | 68.6 | Low | 170 Ų | 170 | 103.8 Ų | 103.8 | 79% | 0.794 | 57% | 0.574 | S | S | * | * | trans | -49.3 | 124.2 | 168.7 | -73.7 | 173.2 | 1 | 0 | 0 | 107.2 | I40 | Q38-I40 HydrophobicContact CB-CG1 4.16Å; Q38-I40 PolarHBondContact O-N 3.36Å | ||
| 39 | D | 48.2 | Very low | 69.8 | Low | 149 Ų | 149 | 103.6 Ų | 103.6 | 80% | 0.797 | 57% | 0.57 | S | S | * | * | trans | -59.5 | 65.1 | 171.9 | -69.3 | -52.9 | 0 | 0 | 0 | 110.5 | H37 V41 | H37-D39 PolarHBondContact O-N 2.99Å; H37-D39 VanDerWaalsContact O-N 3.09Å; D39-V41 PolarHBondContact O-N 3.12Å | ||
| 40 | I | 56.7 | Low | 71.1 | Confident | 132 Ų | 132 | 106.1 Ų | 106.1 | 68% | 0.677 | 58% | 0.579 | S | S | * | * | trans | -78.5 | 84.8 | 165.8 | -52.8 | 176.5 | 0 | 0 | 0 | 103.9 | Q38 P42 | Q38-I40 HydrophobicContact CB-CG1 4.16Å; Q38-I40 PolarHBondContact O-N 3.36Å; I40-P42 VanDerWaalsContact O-CD 3.24Å; I40-P42 WeakPolarHBondContact O-CD 3.35Å | ||
| 41 | V | 64.2 | Low | 72.8 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | trans | -49.2 | 115.5 | 168.1 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | D39 L43 | D39-V41 PolarHBondContact O-N 3.12Å; V41-L43 PolarHBondContact O-N 3.36Å | ||
| 42 | P | 76.8 | Confident | 74.5 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | trans | -63 | 128.9 | -174.9 | 18.7 | -26.3 | 0 | 0 | 0 | 108.9 | I40 C44 | I40-P42 VanDerWaalsContact O-CD 3.24Å; I40-P42 WeakPolarHBondContact O-CD 3.35Å; P42-C44 PolarHBondContact O-N 3.16Å; P42-C44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | L | 87.1 | Confident | 76.4 | Confident | 48 Ų | 48 | 102.1 Ų | 102.1 | 25% | 0.251 | 54% | 0.544 | S | S | . | . | trans | -55.1 | 115.7 | 178.9 | -175.3 | 67.7 | 0 | 0 | 0 | 109.2 | V41 D47 I48 N89 T92 | V41-L43 PolarHBondContact O-N 3.36Å; L43-D47 HydrophobicContact CD1-CB 4.07Å; L43-I48 HydrophobicContact CD1-CG2 3.74Å; L43-I48 HydrophobicContact CD2-CD1 4.21Å; L43-I48 HydrophobicContact CD2-CG2 4.13Å; L43-I48 HydrophobicContact CG-CG2 4.13Å; L43-N89 HydrophobicContact CD2-CB 3.98Å; L43-N89 VanDerWaalsContact CD2-O 3.23Å; L43-N89 WeakPolarHBondContact CD2-O 3.41Å; L43-T92 HydrophobicContact CD2-CG2 4.48Å | ||
| 44 | C | 90.9 | Very high | 78.4 | Confident | 55 Ų | 55 | 99.7 Ų | 99.7 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | trans | -99.2 | 160.9 | -176.7 | 85.6 | 0 | 0 | 0 | 0 | 111.5 | P42 A46 D47 | P42-C44 PolarHBondContact O-N 3.16Å; P42-C44 VanDerWaalsContact O-N 3.08Å; C44-A46 PolarHBondContact O-N 3.44Å; C44-D47 PolarHBondContact N-OD2 2.98Å; C44-D47 WeakPolarHBondContact O-CB 3.43Å; C44-D47 PolarHBondContact O-N 3Å; C44-D47 VanDerWaalsContact O-N 3.09Å; C44-D47 PolarHBondContact SG-OD2 2.65Å | ||
| 45 | A | 93.9 | Very high | 80.5 | Confident | 39 Ų | 39 | 100.9 Ų | 100.9 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -32.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D47 I48 Q49 L52 Y93 | A45-D47 VanDerWaalsContact C-N 3.32Å; A45-I48 PolarHBondContact O-N 3.25Å; A45-Q49 WeakPolarHBondContact O-CA 3.42Å; A45-Q49 PolarHBondContact O-N 3.11Å; A45-L52 HydrophobicContact CB-CD1 4.28Å; A45-Y93 HydrophobicContact CB-CE1 4.42Å; A45-Y93 HydrophobicContact CB-CE2 3.84Å; A45-Y93 WeakPolarHBondContact CB-OH 3.38Å |
| 46 | A | 94.6 | Very high | 82.3 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -33.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C44 I48 | C44-A46 PolarHBondContact O-N 3.44Å; A46-I48 VanDerWaalsContact C-N 3.26Å; A46-I48 PolarHBondContact O-N 3.05Å |
| 47 | D | 93.6 | Very high | 84.4 | Confident | 105 Ų | 105 | 86.1 Ų | 86.1 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26.3 | -179 | -57.1 | -39.5 | 0 | 0 | 0 | 112.6 | L43 C44 A45 | L43-D47 HydrophobicContact CD1-CB 4.07Å; C44-D47 PolarHBondContact N-OD2 2.98Å; C44-D47 WeakPolarHBondContact O-CB 3.43Å; C44-D47 PolarHBondContact O-N 3Å; C44-D47 VanDerWaalsContact O-N 3.09Å; C44-D47 PolarHBondContact SG-OD2 2.65Å; A45-D47 VanDerWaalsContact C-N 3.32Å |
| 48 | I | 95.8 | Very high | 86.4 | Confident | 5 Ų | 5 | 82.8 Ų | 82.8 | 3% | 0.026 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 22.3 | -173.5 | 63.5 | 158 | 0 | 0 | 0 | 112.7 | L43 A45 A46 D50 Q51 L52 N89 Y93 | L43-I48 HydrophobicContact CD1-CG2 3.74Å; L43-I48 HydrophobicContact CD2-CD1 4.21Å; L43-I48 HydrophobicContact CD2-CG2 4.13Å; L43-I48 HydrophobicContact CG-CG2 4.13Å; A45-I48 PolarHBondContact O-N 3.25Å; A46-I48 VanDerWaalsContact C-N 3.26Å; A46-I48 PolarHBondContact O-N 3.05Å; I48-D50 PolarHBondContact O-N 3.02Å; I48-D50 VanDerWaalsContact O-N 3.16Å; I48-Q51 HydrophobicContact CB-CB 4.29Å; I48-Q51 HydrophobicContact CB-CG 4.38Å; I48-Q51 VanDerWaalsContact CG2-OE1 3.32Å; I48-Q51 WeakPolarHBondContact O-CA 3.23Å; I48-Q51 WeakPolarHBondContact O-CB 3.43Å; I48-Q51 PolarHBondContact O-N 3.08Å; I48-L52 HydrophobicContact CD1-CD1 4.08Å; I48-L52 HydrophobicContact CD1-CD2 3.87Å; I48-L52 HydrophobicContact CD1-CG 3.84Å; I48-L52 HydrophobicContact CG1-CD1 4Å; I48-L52 HydrophobicContact CG1-CG 4Å; I48-L52 PolarHBondContact O-N 3.09Å; I48-N89 HydrophobicContact CG2-CB 4.03Å; I48-Y93 VanDerWaalsContact CD1-CB 3.5Å; I48-Y93 HydrophobicContact CD1-CD1 4.15Å; I48-Y93 HydrophobicContact CD1-CD2 4.47Å; I48-Y93 HydrophobicContact CD1-CG 3.78Å |
| 49 | Q | 97.3 | Very high | 88.8 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -53.2 | -43.1 | -173.7 | -175 | -173.6 | -1.5 | 0 | 0 | 112.3 | A45 Q51 L52 K53 | A45-Q49 WeakPolarHBondContact O-CA 3.42Å; A45-Q49 PolarHBondContact O-N 3.11Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3.18Å; Q49-L52 PolarHBondContact O-N 3.49Å; Q49-K53 WeakPolarHBondContact O-CG 3.3Å; Q49-K53 PolarHBondContact O-N 2.97Å |
| 50 | D | 97.2 | Very high | 90.8 | Very high | 110 Ų | 110 | 72.8 Ų | 72.8 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.7 | -28.3 | -178.5 | -64.9 | -33.3 | 0 | 0 | 0 | 112.9 | I48 K53 | I48-D50 PolarHBondContact O-N 3.02Å; I48-D50 VanDerWaalsContact O-N 3.16Å; D50-K53 IonicContact OD1-NZ 2.68Å; D50-K53 PolarHBondContact OD1-NZ 3.35Å |
| 51 | Q | 97.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 70 Ų | 70 | 19% | 0.187 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.6 | -45.3 | 172.6 | -54.8 | -177.9 | -23.7 | 0 | 0 | 110.2 | I48 Q49 K53 K54 E86 N89 V90 | I48-Q51 HydrophobicContact CB-CB 4.29Å; I48-Q51 HydrophobicContact CB-CG 4.38Å; I48-Q51 VanDerWaalsContact CG2-OE1 3.32Å; I48-Q51 WeakPolarHBondContact O-CA 3.23Å; I48-Q51 WeakPolarHBondContact O-CB 3.43Å; I48-Q51 PolarHBondContact O-N 3.08Å; Q49-Q51 VanDerWaalsContact C-N 3.33Å; Q49-Q51 PolarHBondContact O-N 3.18Å; Q51-K53 VanDerWaalsContact C-N 3.3Å; Q51-K53 PolarHBondContact O-N 3.45Å; Q51-K54 WeakPolarHBondContact O-CB 3.38Å; Q51-K54 PolarHBondContact O-N 3.03Å; Q51-K54 VanDerWaalsContact O-N 3.12Å; Q51-E86 WeakPolarHBondContact CA-OE1 3.43Å; Q51-E86 HydrophobicContact CB-CG 3.87Å; Q51-E86 HydrophobicContact CG-CB 4.47Å; Q51-E86 HydrophobicContact CG-CG 3.68Å; Q51-N89 PolarHBondContact NE2-ND2 3.31Å; Q51-N89 PolarHBondContact OE1-ND2 3.24Å; Q51-N89 VanDerWaalsContact OE1-ND2 3.11Å; Q51-V90 HydrophobicContact CB-CG2 3.77Å |
| 52 | L | 96.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 66 Ų | 66 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 177.1 | -64.6 | 176.9 | 0 | 0 | 0 | 112.8 | A45 I48 Q49 K54 R55 V90 Y93 | A45-L52 HydrophobicContact CB-CD1 4.28Å; I48-L52 HydrophobicContact CD1-CD1 4.08Å; I48-L52 HydrophobicContact CD1-CD2 3.87Å; I48-L52 HydrophobicContact CD1-CG 3.84Å; I48-L52 HydrophobicContact CG1-CD1 4Å; I48-L52 HydrophobicContact CG1-CG 4Å; I48-L52 PolarHBondContact O-N 3.09Å; Q49-L52 PolarHBondContact O-N 3.49Å; L52-K54 PolarHBondContact O-N 2.85Å; L52-R55 WeakPolarHBondContact O-CD 3.26Å; L52-R55 PolarHBondContact O-N 3.31Å; L52-V90 HydrophobicContact CD2-CG1 4.21Å; L52-V90 HydrophobicContact CD2-CG2 4.24Å; L52-Y93 HydrophobicContact CD1-CD1 3.85Å; L52-Y93 HydrophobicContact CD1-CE1 3.63Å; L52-Y93 HydrophobicContact CD2-CD1 3.74Å; L52-Y93 HydrophobicContact CD2-CE1 4.18Å; L52-Y93 HydrophobicContact CG-CD1 4.41Å |
| 53 | K | 96.4 | Very high | 94.4 | Very high | 121 Ų | 121 | 69.1 Ų | 69.1 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -24.3 | 175.2 | -77.3 | 173.2 | -169.1 | 152.7 | 0 | 113.3 | Q49 D50 Q51 R55 | Q49-K53 WeakPolarHBondContact O-CG 3.3Å; Q49-K53 PolarHBondContact O-N 2.97Å; D50-K53 IonicContact OD1-NZ 2.68Å; D50-K53 PolarHBondContact OD1-NZ 3.35Å; Q51-K53 VanDerWaalsContact C-N 3.3Å; Q51-K53 PolarHBondContact O-N 3.45Å; K53-R55 PolarHBondContact O-N 3.09Å |
| 54 | K | 96.1 | Very high | 94.5 | Very high | 83 Ų | 83 | 68.3 Ų | 68.3 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.1 | 176 | -61.8 | -169.1 | -168.1 | 170.3 | 0 | 112.8 | Q51 L52 F56 Y76 E86 | Q51-K54 WeakPolarHBondContact O-CB 3.38Å; Q51-K54 PolarHBondContact O-N 3.03Å; Q51-K54 VanDerWaalsContact O-N 3.12Å; L52-K54 PolarHBondContact O-N 2.85Å; K54-F56 HydrophobicContact CB-CD1 4.1Å; K54-F56 PolarHBondContact O-N 3.27Å; K54-F56 VanDerWaalsContact O-N 3.11Å; K54-Y76 HydrophobicContact CB-CE2 4.5Å; K54-Y76 VanDerWaalsContact O-CE2 3.3Å; K54-Y76 WeakPolarHBondContact O-CE2 3.24Å; K54-E86 WeakPolarHBondContact CD-OE1 3.38Å; K54-E86 WeakPolarHBondContact CE-OE1 3.47Å; K54-E86 IonicContact NZ-OE1 2.85Å; K54-E86 PolarHBondContact NZ-OE1 3.36Å; K54-E86 IonicContact NZ-OE2 2.74Å; K54-E86 PolarHBondContact NZ-OE2 2.87Å |
| 55 | R | 95.7 | Very high | 94.6 | Very high | 157 Ų | 157 | 76 Ų | 76 | 59% | 0.592 | 41% | 0.408 | S | S | * | . | trans | 55.2 | 28.1 | 173.7 | -65.3 | -68.7 | -170.3 | 168.7 | 0.4 | 114.8 | L52 K53 A57 P74 | L52-R55 WeakPolarHBondContact O-CD 3.26Å; L52-R55 PolarHBondContact O-N 3.31Å; K53-R55 PolarHBondContact O-N 3.09Å; R55-A57 PolarHBondContact O-N 3Å; R55-P74 WeakPolarHBondContact O-CG 3.35Å | ||
| 56 | F | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 80 Ų | 80 | 0% | 0.004 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -69.7 | -16 | 172.7 | 70.2 | -101.6 | 0 | 0 | 0 | 112.9 | K54 F73 P74 Y76 F79 I82 E86 F87 V90 | K54-F56 HydrophobicContact CB-CD1 4.1Å; K54-F56 PolarHBondContact O-N 3.27Å; K54-F56 VanDerWaalsContact O-N 3.11Å; F56-F73 WeakPolarHBondContact O-CD1 3.32Å; F56-P74 WeakPolarHBondContact O-CD 3.44Å; F56-Y76 HydrophobicContact CB-CD1 3.84Å; F56-Y76 HydrophobicContact CB-CD2 4.16Å; F56-Y76 HydrophobicContact CB-CE1 4.15Å; F56-Y76 HydrophobicContact CB-CE2 4.44Å; F56-Y76 HydrophobicContact CB-CG 3.86Å; F56-F79 HydrophobicContact CB-CD2 4.14Å; F56-F79 HydrophobicContact CB-CE2 4.37Å; F56-F79 HydrophobicContact CD2-CD2 4.4Å; F56-F79 AromaticContact CD2-CE2 3.87Å; F56-F79 HydrophobicContact CD2-CE2 3.87Å; F56-I82 HydrophobicContact CB-CD1 3.64Å; F56-I82 HydrophobicContact CD1-CD1 3.63Å; F56-I82 HydrophobicContact CD2-CD1 3.77Å; F56-I82 HydrophobicContact CE1-CD1 4.15Å; F56-I82 HydrophobicContact CE1-CG2 4.23Å; F56-I82 HydrophobicContact CE2-CD1 4.29Å; F56-I82 HydrophobicContact CG-CD1 3.41Å; F56-I82 VanDerWaalsContact CG-CD1 3.41Å; F56-I82 HydrophobicContact CZ-CD1 4.44Å; F56-I82 HydrophobicContact CZ-CG2 4.27Å; F56-E86 HydrophobicContact CE1-CG 4.22Å; F56-F87 HydrophobicContact CD2-CD2 4.49Å; F56-F87 AromaticContact CE2-CD2 3.73Å; F56-F87 HydrophobicContact CE2-CD2 3.73Å; F56-F87 HydrophobicContact CE2-CE2 4.22Å; F56-F87 HydrophobicContact CZ-CD2 4.4Å; F56-V90 HydrophobicContact CE1-CB 4.29Å; F56-V90 HydrophobicContact CE1-CG1 4.44Å; F56-V90 HydrophobicContact CE1-CG2 3.8Å; F56-V90 HydrophobicContact CE2-CB 4.2Å; F56-V90 HydrophobicContact CE2-CG1 4.07Å; F56-V90 HydrophobicContact CZ-CB 3.56Å; F56-V90 HydrophobicContact CZ-CG1 3.8Å; F56-V90 HydrophobicContact CZ-CG2 3.56Å |
| 57 | A | 97.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.033 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -147.3 | 147.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R55 I71 T72 F73 V90 L94 | R55-A57 PolarHBondContact O-N 3Å; A57-I71 HydrophobicContact CB-CG2 4.24Å; A57-T72 VanDerWaalsContact CA-O 3.32Å; A57-T72 WeakPolarHBondContact CA-O 3.48Å; A57-F73 HydrophobicContact CB-CD1 4Å; A57-F73 HydrophobicContact CB-CE1 3.7Å; A57-F73 HydrophobicContact CB-CZ 4.11Å; A57-V90 HydrophobicContact CB-CG1 4.3Å; A57-L94 HydrophobicContact CB-CD1 3.89Å |
| 58 | Y | 96.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 75.4 Ų | 75.4 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 159.9 | 175 | 63.3 | -86.7 | 0 | 0 | 0 | 112.6 | S60 I71 T72 P74 | Y58-S60 PolarHBondContact O-N 3.12Å; Y58-I71 WeakPolarHBondContact O-CA 3.34Å; Y58-T72 HydrophobicContact CE1-CG2 3.98Å; Y58-T72 HydrophobicContact CE2-CG2 4.43Å; Y58-T72 PolarHBondContact N-O 3.43Å; Y58-T72 PolarHBondContact O-N 3.49Å; Y58-P74 HydrophobicContact CD1-CG 4.24Å; Y58-P74 HydrophobicContact CE1-CB 4.14Å; Y58-P74 HydrophobicContact CE1-CG 3.84Å |
| 59 | L | 95.4 | Very high | 94 | Very high | 54 Ų | 54 | 77.2 Ų | 77.2 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.6 | 169.3 | -65.8 | 176.6 | 0 | 0 | 0 | 110.1 | G61 P69 I71 L94 I97 | L59-G61 PolarHBondContact O-N 3.09Å; L59-P69 HydrophobicContact CD2-CB 3.6Å; L59-I71 HydrophobicContact CD2-CG1 3.94Å; L59-L94 HydrophobicContact CG-CD2 4.12Å; L59-I97 HydrophobicContact CD1-CB 3.96Å; L59-I97 HydrophobicContact CD1-CD1 3.94Å; L59-I97 HydrophobicContact CD1-CG2 3.75Å |
| 60 | S | 90.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -10.3 | 178 | 58.8 | 0 | 0 | 0 | 0 | 114 | Y58 G62 V70 T72 | Y58-S60 PolarHBondContact O-N 3.12Å; S60-G62 VanDerWaalsContact C-N 3.28Å; S60-V70 PolarHBondContact N-O 2.92Å; S60-V70 WeakPolarHBondContact OG-CB 3.49Å; S60-V70 WeakPolarHBondContact OG-CG1 3.35Å; S60-V70 PolarHBondContact OG-O 2.83Å; S60-T72 WeakPolarHBondContact CB-OG1 2.98Å |
| 61 | G | 89.4 | Confident | 93.8 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 75% | 0.753 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 86.6 | -10.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L59 | L59-G61 PolarHBondContact O-N 3.09Å |
| 62 | G | 92.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 71.8 Ų | 71.8 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 156.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | S60 V70 | S60-G62 VanDerWaalsContact C-N 3.28Å; G62-V70 WeakPolarHBondContact O-CB 3.1Å; G62-V70 WeakPolarHBondContact O-CG2 3.4Å; G62-V70 PolarHBondContact O-N 3.42Å |
| 63 | R | 91.9 | Very high | 93.7 | Very high | 169 Ų | 169 | 74.7 Ų | 74.7 | 64% | 0.638 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.3 | 168.7 | -72.6 | -174.4 | 176.6 | -108.4 | -1.6 | 110.3 | G67 S68 | R63-G67 WeakPolarHBondContact CD-O 3.45Å; R63-G67 PolarHBondContact NH1-O 2.91Å; R63-S68 CarbonylContact C-O 3.5Å; R63-S68 VanDerWaalsContact CA-O 3.24Å; R63-S68 WeakPolarHBondContact CA-O 3.49Å |
| 64 | G | 89.5 | Confident | 93.7 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | trans | -65.1 | 172.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D66 G67 S68 | G64-D66 PolarHBondContact O-N 2.93Å; G64-G67 PolarHBondContact O-N 3.31Å; G64-S68 PolarHBondContact N-O 3.44Å | ||
| 65 | Q | 93.1 | Very high | 93.7 | Very high | 216 Ų | 216 | 74.7 Ų | 74.7 | 100% | 1.009 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.4 | 179 | -67.5 | -178.1 | -1.9 | 0 | 0 | 113 | G67 | Q65-G67 VanDerWaalsContact C-N 3.31Š|
| 66 | D | 92.6 | Very high | 93.8 | Very high | 124 Ų | 124 | 70.3 Ų | 70.3 | 66% | 0.663 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -1.1 | 175.9 | 62.7 | -18.5 | 0 | 0 | 0 | 113.4 | G64 S68 | G64-D66 PolarHBondContact O-N 2.93Å; D66-S68 VanDerWaalsContact C-N 3.34Å; D66-S68 VanDerWaalsContact OD1-CB 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.37Å; D66-S68 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 WeakPolarHBondContact OD2-CB 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.21Å |
| 67 | G | 89.6 | Confident | 93.6 | Very high | 29 Ų | 29 | 76 Ų | 76 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 84.2 | 1.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R63 G64 Q65 | R63-G67 WeakPolarHBondContact CD-O 3.45Å; R63-G67 PolarHBondContact NH1-O 2.91Å; G64-G67 PolarHBondContact O-N 3.31Å; Q65-G67 VanDerWaalsContact C-N 3.31Å |
| 68 | S | 90.2 | Very high | 93.5 | Very high | 55 Ų | 55 | 77.3 Ų | 77.3 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | trans | -65 | 143.2 | 178.4 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | R63 G64 D66 | R63-S68 CarbonylContact C-O 3.5Å; R63-S68 VanDerWaalsContact CA-O 3.24Å; R63-S68 WeakPolarHBondContact CA-O 3.49Å; G64-S68 PolarHBondContact N-O 3.44Å; D66-S68 VanDerWaalsContact C-N 3.34Å; D66-S68 VanDerWaalsContact OD1-CB 3.28Å; D66-S68 WeakPolarHBondContact OD1-CB 3.37Å; D66-S68 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact OD1-OG 3.46Å; D66-S68 WeakPolarHBondContact OD2-CB 3.46Å; D66-S68 PolarHBondContact OD2-OG 3.21Å | ||
| 69 | P | 91.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 29% | 0.286 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 142.2 | 178.3 | 25 | -32.6 | 0 | 0 | 0 | 112.2 | L59 | L59-P69 HydrophobicContact CD2-CB 3.6Å |
| 70 | V | 94.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 80.1 Ų | 80.1 | 35% | 0.352 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 108.2 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | S60 G62 | S60-V70 PolarHBondContact N-O 2.92Å; S60-V70 WeakPolarHBondContact OG-CB 3.49Å; S60-V70 WeakPolarHBondContact OG-CG1 3.35Å; S60-V70 PolarHBondContact OG-O 2.83Å; G62-V70 WeakPolarHBondContact O-CB 3.1Å; G62-V70 WeakPolarHBondContact O-CG2 3.4Å; G62-V70 PolarHBondContact O-N 3.42Å |
| 71 | I | 96.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 84.9 Ų | 84.9 | 22% | 0.215 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.5 | 175.5 | -58.5 | 171.2 | 0 | 0 | 0 | 109.5 | A57 Y58 L59 F73 M91 L94 T95 | A57-I71 HydrophobicContact CB-CG2 4.24Å; Y58-I71 WeakPolarHBondContact O-CA 3.34Å; L59-I71 HydrophobicContact CD2-CG1 3.94Å; I71-F73 HydrophobicContact CG2-CD2 4.47Å; I71-F73 HydrophobicContact CG2-CE2 3.9Å; I71-F73 HydrophobicContact CG2-CZ 4.32Å; I71-M91 HydrophobicContact CD1-CE 3.94Å; I71-L94 HydrophobicContact CD1-CB 4.12Å; I71-L94 HydrophobicContact CG1-CB 4.43Å; I71-L94 HydrophobicContact CG2-CD1 4.18Å; I71-T95 HydrophobicContact CD1-CG2 3.84Å |
| 72 | T | 96.3 | Very high | 94 | Very high | 42 Ų | 42 | 82.4 Ų | 82.4 | 26% | 0.258 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 111 | A57 Y58 S60 | A57-T72 VanDerWaalsContact CA-O 3.32Å; A57-T72 WeakPolarHBondContact CA-O 3.48Å; Y58-T72 HydrophobicContact CE1-CG2 3.98Å; Y58-T72 HydrophobicContact CE2-CG2 4.43Å; Y58-T72 PolarHBondContact N-O 3.43Å; Y58-T72 PolarHBondContact O-N 3.49Å; S60-T72 WeakPolarHBondContact CB-OG1 2.98Å |
| 73 | F | 96.8 | Very high | 94.3 | Very high | 95 Ų | 95 | 84.2 Ų | 84.2 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | trans | -106.1 | 103.4 | 170.1 | -68.8 | -93 | 0 | 0 | 0 | 108.9 | F56 A57 I71 F79 F87 M91 | F56-F73 WeakPolarHBondContact O-CD1 3.32Å; A57-F73 HydrophobicContact CB-CD1 4Å; A57-F73 HydrophobicContact CB-CE1 3.7Å; A57-F73 HydrophobicContact CB-CZ 4.11Å; I71-F73 HydrophobicContact CG2-CD2 4.47Å; I71-F73 HydrophobicContact CG2-CE2 3.9Å; I71-F73 HydrophobicContact CG2-CZ 4.32Å; F73-F79 AromaticContact CD1-CE2 3.74Å; F73-F79 HydrophobicContact CD1-CE2 3.74Å; F73-F79 AromaticContact CD1-CZ 3.99Å; F73-F79 HydrophobicContact CD1-CZ 3.99Å; F73-F79 HydrophobicContact CE1-CE2 4.04Å; F73-F79 HydrophobicContact CE1-CZ 4.06Å; F73-F87 AromaticContact CE1-CE2 3.94Å; F73-F87 HydrophobicContact CE1-CE2 3.94Å; F73-F87 HydrophobicContact CE1-CZ 4.4Å; F73-F87 HydrophobicContact CZ-CE2 4.42Å; F73-F87 HydrophobicContact CZ-CZ 4.46Å; F73-M91 HydrophobicContact CE1-SD 4.49Å; F73-M91 HydrophobicContact CZ-CE 4.42Å; F73-M91 HydrophobicContact CZ-SD 3.78Å | ||
| 74 | P | 96.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 82.4 Ų | 82.4 | 33% | 0.325 | 47% | 0.466 | S | S | . | . | trans | -73.5 | 173.8 | 175.1 | 33.3 | -34.7 | 0 | 0 | 0 | 111.1 | R55 F56 Y58 Y76 | R55-P74 WeakPolarHBondContact O-CG 3.35Å; F56-P74 WeakPolarHBondContact O-CD 3.44Å; Y58-P74 HydrophobicContact CD1-CG 4.24Å; Y58-P74 HydrophobicContact CE1-CB 4.14Å; Y58-P74 HydrophobicContact CE1-CG 3.84Å; P74-Y76 PolarHBondContact O-N 3.29Å | ||
| 75 | D | 96.3 | Very high | 94.8 | Very high | 155 Ų | 155 | 88.1 Ų | 88.1 | 83% | 0.829 | 48% | 0.482 | S | S | * | . | trans | -62.4 | 122.2 | 169 | -168 | 16.6 | 0 | 0 | 0 | 110 | ||||
| 76 | Y | 96.3 | Very high | 95 | Very high | 64 Ų | 64 | 78.6 Ų | 78.6 | 25% | 0.251 | 44% | 0.438 | S | S | . | . | trans | -142.2 | 95 | -176.3 | -170.5 | -99.6 | 0 | 0 | 0 | 108.6 | K54 F56 P74 A78 F79 I82 | K54-Y76 HydrophobicContact CB-CE2 4.5Å; K54-Y76 VanDerWaalsContact O-CE2 3.3Å; K54-Y76 WeakPolarHBondContact O-CE2 3.24Å; F56-Y76 HydrophobicContact CB-CD1 3.84Å; F56-Y76 HydrophobicContact CB-CD2 4.16Å; F56-Y76 HydrophobicContact CB-CE1 4.15Å; F56-Y76 HydrophobicContact CB-CE2 4.44Å; F56-Y76 HydrophobicContact CB-CG 3.86Å; P74-Y76 PolarHBondContact O-N 3.29Å; Y76-A78 HydrophobicContact CE1-CB 4.06Å; Y76-A78 PolarHBondContact O-N 2.88Å; Y76-A78 VanDerWaalsContact O-N 3.08Å; Y76-F79 HydrophobicContact CD1-CB 3.94Å; Y76-F79 HydrophobicContact CD1-CD2 4.33Å; Y76-F79 WeakPolarHBondContact O-CB 3.27Å; Y76-F79 PolarHBondContact O-N 3.4Å; Y76-I82 HydrophobicContact CD1-CD1 4Å; Y76-I82 HydrophobicContact CE1-CD1 3.8Å; Y76-I82 HydrophobicContact CE1-CG1 4.01Å | ||
| 77 | P | 94.6 | Very high | 95.2 | Very high | 122 Ų | 122 | 76 Ų | 76 | 79% | 0.792 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30 | -168.9 | -29.7 | 35.7 | 0 | 0 | 0 | 115.3 | F79 | P77-F79 VanDerWaalsContact C-N 3.33Š|
| 78 | A | 94.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 80.4 Ų | 80.4 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 21.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y76 S80 E81 | Y76-A78 HydrophobicContact CE1-CB 4.06Å; Y76-A78 PolarHBondContact O-N 2.88Å; Y76-A78 VanDerWaalsContact O-N 3.08Å; A78-S80 VanDerWaalsContact C-N 3.27Å; A78-S80 PolarHBondContact O-N 2.91Å; A78-E81 HydrophobicContact CB-CB 4.48Å; A78-E81 WeakPolarHBondContact O-CB 3.18Å; A78-E81 PolarHBondContact O-N 2.86Å |
| 79 | F | 95.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 79.4 Ų | 79.4 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -60 | -37.9 | -175.4 | -171.2 | -94.6 | 0 | 0 | 0 | 112.7 | F56 F73 Y76 P77 E81 I82 F87 | F56-F79 HydrophobicContact CB-CD2 4.14Å; F56-F79 HydrophobicContact CB-CE2 4.37Å; F56-F79 HydrophobicContact CD2-CD2 4.4Å; F56-F79 AromaticContact CD2-CE2 3.87Å; F56-F79 HydrophobicContact CD2-CE2 3.87Å; F73-F79 AromaticContact CD1-CE2 3.74Å; F73-F79 HydrophobicContact CD1-CE2 3.74Å; F73-F79 AromaticContact CD1-CZ 3.99Å; F73-F79 HydrophobicContact CD1-CZ 3.99Å; F73-F79 HydrophobicContact CE1-CE2 4.04Å; F73-F79 HydrophobicContact CE1-CZ 4.06Å; Y76-F79 HydrophobicContact CD1-CB 3.94Å; Y76-F79 HydrophobicContact CD1-CD2 4.33Å; Y76-F79 WeakPolarHBondContact O-CB 3.27Å; Y76-F79 PolarHBondContact O-N 3.4Å; P77-F79 VanDerWaalsContact C-N 3.33Å; F79-E81 PolarHBondContact O-N 3.01Å; F79-I82 HydrophobicContact CB-CD1 4.48Å; F79-I82 HydrophobicContact CD2-CD1 3.64Å; F79-I82 HydrophobicContact CE2-CD1 4.1Å; F79-I82 HydrophobicContact CG-CD1 4.16Å; F79-I82 WeakPolarHBondContact O-CB 3.33Å; F79-I82 WeakPolarHBondContact O-CG1 3.46Å; F79-I82 PolarHBondContact O-N 2.89Å; F79-F87 HydrophobicContact CE2-CE2 4.37Å; F79-F87 HydrophobicContact CZ-CD2 4.32Å; F79-F87 AromaticContact CZ-CE2 3.8Å; F79-F87 HydrophobicContact CZ-CE2 3.8Å |
| 80 | S | 94.9 | Very high | 96 | Very high | 111 Ų | 111 | 77.4 Ų | 77.4 | 78% | 0.776 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -67.3 | -14 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | A78 | A78-S80 VanDerWaalsContact C-N 3.27Å; A78-S80 PolarHBondContact O-N 2.91Å |
| 81 | E | 96.8 | Very high | 96.1 | Very high | 153 Ų | 153 | 76.7 Ų | 76.7 | 72% | 0.715 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -96.6 | -3.1 | -179.6 | -57.3 | 177.7 | -171.4 | 0 | 0 | 112.3 | A78 F79 P83 | A78-E81 HydrophobicContact CB-CB 4.48Å; A78-E81 WeakPolarHBondContact O-CB 3.18Å; A78-E81 PolarHBondContact O-N 2.86Å; F79-E81 PolarHBondContact O-N 3.01Å; E81-P83 WeakPolarHBondContact O-CD 3.37Å |
| 82 | I | 96.1 | Very high | 96 | Very high | 21 Ų | 21 | 78.4 Ų | 78.4 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -69.1 | 126.4 | 179.5 | -61.2 | 170 | 0 | 0 | 0 | 109.4 | F56 Y76 F79 E86 F87 | F56-I82 HydrophobicContact CB-CD1 3.64Å; F56-I82 HydrophobicContact CD1-CD1 3.63Å; F56-I82 HydrophobicContact CD2-CD1 3.77Å; F56-I82 HydrophobicContact CE1-CD1 4.15Å; F56-I82 HydrophobicContact CE1-CG2 4.23Å; F56-I82 HydrophobicContact CE2-CD1 4.29Å; F56-I82 HydrophobicContact CG-CD1 3.41Å; F56-I82 VanDerWaalsContact CG-CD1 3.41Å; F56-I82 HydrophobicContact CZ-CD1 4.44Å; F56-I82 HydrophobicContact CZ-CG2 4.27Å; Y76-I82 HydrophobicContact CD1-CD1 4Å; Y76-I82 HydrophobicContact CE1-CD1 3.8Å; Y76-I82 HydrophobicContact CE1-CG1 4.01Å; F79-I82 HydrophobicContact CB-CD1 4.48Å; F79-I82 HydrophobicContact CD2-CD1 3.64Å; F79-I82 HydrophobicContact CE2-CD1 4.1Å; F79-I82 HydrophobicContact CG-CD1 4.16Å; F79-I82 WeakPolarHBondContact O-CB 3.33Å; F79-I82 WeakPolarHBondContact O-CG1 3.46Å; F79-I82 PolarHBondContact O-N 2.89Å; I82-E86 HydrophobicContact CG2-CB 4.24Å; I82-E86 HydrophobicContact CG2-CG 4.07Å; I82-F87 HydrophobicContact CG2-CB 4.19Å |
| 83 | P | 97.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 78.8 Ų | 78.8 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | trans | -63.6 | 140.1 | 175.3 | -21.3 | 32.7 | 0 | 0 | 0 | 112.3 | E81 K85 E86 F87 | E81-P83 WeakPolarHBondContact O-CD 3.37Å; P83-K85 PolarHBondContact O-N 2.89Å; P83-K85 VanDerWaalsContact O-N 3.12Å; P83-E86 HydrophobicContact CB-CB 4.39Å; P83-E86 WeakPolarHBondContact O-CA 3.4Å; P83-E86 WeakPolarHBondContact O-CB 3.34Å; P83-E86 PolarHBondContact O-N 3.46Å; P83-F87 PolarHBondContact O-N 2.92Å | ||
| 84 | D | 97.1 | Very high | 95.8 | Very high | 131 Ų | 131 | 74.8 Ų | 74.8 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -51 | -42.4 | -179.6 | -67.2 | -16.5 | 0 | 0 | 0 | 113.2 | E86 F87 Q88 | D84-E86 VanDerWaalsContact C-N 3.31Å; D84-E86 PolarHBondContact O-N 3.21Å; D84-F87 PolarHBondContact O-N 3.38Å; D84-Q88 WeakPolarHBondContact O-CB 3.26Å; D84-Q88 VanDerWaalsContact O-CG 3.27Å; D84-Q88 WeakPolarHBondContact O-CG 3.36Å; D84-Q88 PolarHBondContact O-N 2.97Å |
| 85 | K | 95.4 | Very high | 95.6 | Very high | 151 Ų | 151 | 76.4 Ų | 76.4 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 179.2 | -175.6 | 170.4 | -178 | 176.5 | 0 | 112.3 | P83 N89 | P83-K85 PolarHBondContact O-N 2.89Å; P83-K85 VanDerWaalsContact O-N 3.12Å; K85-N89 VanDerWaalsContact O-CB 3.32Å; K85-N89 WeakPolarHBondContact O-CB 3.43Å; K85-N89 PolarHBondContact O-N 3.32Å; K85-N89 PolarHBondContact O-OD1 2.86Å |
| 86 | E | 96.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 177.1 | 171.5 | 165.7 | -173.7 | 0 | 0 | 111.3 | Q51 K54 F56 I82 P83 D84 Q88 N89 V90 | Q51-E86 WeakPolarHBondContact CA-OE1 3.43Å; Q51-E86 HydrophobicContact CB-CG 3.87Å; Q51-E86 HydrophobicContact CG-CB 4.47Å; Q51-E86 HydrophobicContact CG-CG 3.68Å; K54-E86 WeakPolarHBondContact CD-OE1 3.38Å; K54-E86 WeakPolarHBondContact CE-OE1 3.47Å; K54-E86 IonicContact NZ-OE1 2.85Å; K54-E86 PolarHBondContact NZ-OE1 3.36Å; K54-E86 IonicContact NZ-OE2 2.74Å; K54-E86 PolarHBondContact NZ-OE2 2.87Å; F56-E86 HydrophobicContact CE1-CG 4.22Å; I82-E86 HydrophobicContact CG2-CB 4.24Å; I82-E86 HydrophobicContact CG2-CG 4.07Å; P83-E86 HydrophobicContact CB-CB 4.39Å; P83-E86 WeakPolarHBondContact O-CA 3.4Å; P83-E86 WeakPolarHBondContact O-CB 3.34Å; P83-E86 PolarHBondContact O-N 3.46Å; D84-E86 VanDerWaalsContact C-N 3.31Å; D84-E86 PolarHBondContact O-N 3.21Å; E86-Q88 PolarHBondContact O-N 3.42Å; E86-N89 PolarHBondContact O-N 2.88Å; E86-V90 WeakPolarHBondContact O-CG2 3.45Å; E86-V90 PolarHBondContact O-N 3.23Å |
| 87 | F | 96.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 31% | 0.311 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 173.2 | -176.2 | -91.7 | 0 | 0 | 0 | 111.4 | F56 F73 F79 I82 P83 D84 N89 V90 M91 | F56-F87 HydrophobicContact CD2-CD2 4.49Å; F56-F87 AromaticContact CE2-CD2 3.73Å; F56-F87 HydrophobicContact CE2-CD2 3.73Å; F56-F87 HydrophobicContact CE2-CE2 4.22Å; F56-F87 HydrophobicContact CZ-CD2 4.4Å; F73-F87 AromaticContact CE1-CE2 3.94Å; F73-F87 HydrophobicContact CE1-CE2 3.94Å; F73-F87 HydrophobicContact CE1-CZ 4.4Å; F73-F87 HydrophobicContact CZ-CE2 4.42Å; F73-F87 HydrophobicContact CZ-CZ 4.46Å; F79-F87 HydrophobicContact CE2-CE2 4.37Å; F79-F87 HydrophobicContact CZ-CD2 4.32Å; F79-F87 AromaticContact CZ-CE2 3.8Å; F79-F87 HydrophobicContact CZ-CE2 3.8Å; I82-F87 HydrophobicContact CG2-CB 4.19Å; P83-F87 PolarHBondContact O-N 2.92Å; D84-F87 PolarHBondContact O-N 3.38Å; F87-N89 PolarHBondContact O-N 3.49Å; F87-V90 PolarHBondContact O-N 3.31Å; F87-M91 HydrophobicContact CD1-CG 3.99Å; F87-M91 HydrophobicContact CE1-CG 3.57Å; F87-M91 HydrophobicContact CE2-CG 4.32Å; F87-M91 HydrophobicContact CZ-CG 3.75Å; F87-M91 HydrophobicContact CZ-SD 4.18Å; F87-M91 WeakPolarHBondContact O-CB 3.34Å; F87-M91 WeakPolarHBondContact O-CG 3.35Å; F87-M91 PolarHBondContact O-N 3.16Å |
| 88 | Q | 96.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.3 | -44.5 | 178.3 | -75.8 | 176.5 | -16.2 | 0 | 0 | 112.3 | D84 E86 M91 T92 | D84-Q88 WeakPolarHBondContact O-CB 3.26Å; D84-Q88 VanDerWaalsContact O-CG 3.27Å; D84-Q88 WeakPolarHBondContact O-CG 3.36Å; D84-Q88 PolarHBondContact O-N 2.97Å; E86-Q88 PolarHBondContact O-N 3.42Å; Q88-M91 PolarHBondContact O-N 3.28Å; Q88-T92 VanDerWaalsContact O-CB 3.26Å; Q88-T92 WeakPolarHBondContact O-CB 3.49Å; Q88-T92 PolarHBondContact O-N 3Å; Q88-T92 PolarHBondContact O-OG1 3.05Å |
| 89 | N | 95.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 74.5 Ų | 74.5 | 19% | 0.187 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 177.7 | -81.6 | 3 | 0 | 0 | 0 | 111.8 | L43 I48 Q51 K85 E86 F87 T92 Y93 | L43-N89 HydrophobicContact CD2-CB 3.98Å; L43-N89 VanDerWaalsContact CD2-O 3.23Å; L43-N89 WeakPolarHBondContact CD2-O 3.41Å; I48-N89 HydrophobicContact CG2-CB 4.03Å; Q51-N89 PolarHBondContact NE2-ND2 3.31Å; Q51-N89 PolarHBondContact OE1-ND2 3.24Å; Q51-N89 VanDerWaalsContact OE1-ND2 3.11Å; K85-N89 VanDerWaalsContact O-CB 3.32Å; K85-N89 WeakPolarHBondContact O-CB 3.43Å; K85-N89 PolarHBondContact O-N 3.32Å; K85-N89 PolarHBondContact O-OD1 2.86Å; E86-N89 PolarHBondContact O-N 2.88Å; F87-N89 PolarHBondContact O-N 3.49Å; N89-T92 PolarHBondContact O-N 3.47Å; N89-Y93 WeakPolarHBondContact O-CB 3.43Å; N89-Y93 PolarHBondContact O-N 3.44Å |
| 90 | V | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | Q51 L52 F56 A57 E86 F87 Y93 L94 | Q51-V90 HydrophobicContact CB-CG2 3.77Å; L52-V90 HydrophobicContact CD2-CG1 4.21Å; L52-V90 HydrophobicContact CD2-CG2 4.24Å; F56-V90 HydrophobicContact CE1-CB 4.29Å; F56-V90 HydrophobicContact CE1-CG1 4.44Å; F56-V90 HydrophobicContact CE1-CG2 3.8Å; F56-V90 HydrophobicContact CE2-CB 4.2Å; F56-V90 HydrophobicContact CE2-CG1 4.07Å; F56-V90 HydrophobicContact CZ-CB 3.56Å; F56-V90 HydrophobicContact CZ-CG1 3.8Å; F56-V90 HydrophobicContact CZ-CG2 3.56Å; A57-V90 HydrophobicContact CB-CG1 4.3Å; E86-V90 WeakPolarHBondContact O-CG2 3.45Å; E86-V90 PolarHBondContact O-N 3.23Å; F87-V90 PolarHBondContact O-N 3.31Å; V90-Y93 PolarHBondContact O-N 2.96Å; V90-L94 HydrophobicContact CG1-CD1 3.76Å; V90-L94 HydrophobicContact CG1-CG 4.15Å; V90-L94 WeakPolarHBondContact O-CB 3.05Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.47Å; V90-L94 PolarHBondContact O-N 3.25Å |
| 91 | M | 95.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 71.8 Ų | 71.8 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.3 | -70.4 | -54.3 | -61.3 | 0 | 0 | 112.3 | I71 F73 F87 Q88 Y93 L94 T95 | I71-M91 HydrophobicContact CD1-CE 3.94Å; F73-M91 HydrophobicContact CE1-SD 4.49Å; F73-M91 HydrophobicContact CZ-CE 4.42Å; F73-M91 HydrophobicContact CZ-SD 3.78Å; F87-M91 HydrophobicContact CD1-CG 3.99Å; F87-M91 HydrophobicContact CE1-CG 3.57Å; F87-M91 HydrophobicContact CE2-CG 4.32Å; F87-M91 HydrophobicContact CZ-CG 3.75Å; F87-M91 HydrophobicContact CZ-SD 4.18Å; F87-M91 WeakPolarHBondContact O-CB 3.34Å; F87-M91 WeakPolarHBondContact O-CG 3.35Å; F87-M91 PolarHBondContact O-N 3.16Å; Q88-M91 PolarHBondContact O-N 3.28Å; M91-Y93 VanDerWaalsContact C-N 3.31Å; M91-Y93 PolarHBondContact O-N 3.22Å; M91-L94 PolarHBondContact O-N 2.67Å; M91-T95 WeakPolarHBondContact O-CB 3.44Å; M91-T95 VanDerWaalsContact O-CG2 3.26Å; M91-T95 WeakPolarHBondContact O-CG2 3.29Å; M91-T95 PolarHBondContact O-N 2.83Å; M91-T95 PolarHBondContact O-OG1 3.2Å |
| 92 | T | 94.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 66.8 Ų | 66.8 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | L43 Q88 N89 T95 S96 | L43-T92 HydrophobicContact CD2-CG2 4.48Å; Q88-T92 VanDerWaalsContact O-CB 3.26Å; Q88-T92 WeakPolarHBondContact O-CB 3.49Å; Q88-T92 PolarHBondContact O-N 3Å; Q88-T92 PolarHBondContact O-OG1 3.05Å; N89-T92 PolarHBondContact O-N 3.47Å; T92-T95 PolarHBondContact O-OG1 3.05Å; T92-S96 WeakPolarHBondContact O-CB 3.42Å; T92-S96 PolarHBondContact O-N 3.02Å; T92-S96 PolarHBondContact O-OG 3.25Å |
| 93 | Y | 94.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 69.8 Ų | 69.8 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 178 | 177.8 | -101.9 | 0 | 0 | 0 | 112.9 | A45 I48 L52 N89 V90 M91 T95 S96 I97 | A45-Y93 HydrophobicContact CB-CE1 4.42Å; A45-Y93 HydrophobicContact CB-CE2 3.84Å; A45-Y93 WeakPolarHBondContact CB-OH 3.38Å; I48-Y93 VanDerWaalsContact CD1-CB 3.5Å; I48-Y93 HydrophobicContact CD1-CD1 4.15Å; I48-Y93 HydrophobicContact CD1-CD2 4.47Å; I48-Y93 HydrophobicContact CD1-CG 3.78Å; L52-Y93 HydrophobicContact CD1-CD1 3.85Å; L52-Y93 HydrophobicContact CD1-CE1 3.63Å; L52-Y93 HydrophobicContact CD2-CD1 3.74Å; L52-Y93 HydrophobicContact CD2-CE1 4.18Å; L52-Y93 HydrophobicContact CG-CD1 4.41Å; N89-Y93 WeakPolarHBondContact O-CB 3.43Å; N89-Y93 PolarHBondContact O-N 3.44Å; V90-Y93 PolarHBondContact O-N 2.96Å; M91-Y93 VanDerWaalsContact C-N 3.31Å; M91-Y93 PolarHBondContact O-N 3.22Å; Y93-T95 VanDerWaalsContact C-N 3.28Å; Y93-T95 PolarHBondContact O-N 3.48Å; Y93-S96 PolarHBondContact O-N 2.95Å; Y93-S96 PolarHBondContact O-OG 3.22Å; Y93-I97 HydrophobicContact CD1-CD1 4.19Å; Y93-I97 HydrophobicContact CE1-CD1 3.62Å; Y93-I97 HydrophobicContact CE2-CD1 4.38Å; Y93-I97 WeakPolarHBondContact O-CG1 3.26Å |
| 94 | L | 94.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.4 | -27.3 | -178.4 | -64.9 | 178.2 | 0 | 0 | 0 | 112.8 | A57 L59 I71 V90 M91 | A57-L94 HydrophobicContact CB-CD1 3.89Å; L59-L94 HydrophobicContact CG-CD2 4.12Å; I71-L94 HydrophobicContact CD1-CB 4.12Å; I71-L94 HydrophobicContact CG1-CB 4.43Å; I71-L94 HydrophobicContact CG2-CD1 4.18Å; V90-L94 HydrophobicContact CG1-CD1 3.76Å; V90-L94 HydrophobicContact CG1-CG 4.15Å; V90-L94 WeakPolarHBondContact O-CB 3.05Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.47Å; V90-L94 PolarHBondContact O-N 3.25Å; M91-L94 PolarHBondContact O-N 2.67Å |
| 95 | T | 91.4 | Very high | 93.9 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -85.6 | -13.6 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | I71 M91 T92 Y93 | I71-T95 HydrophobicContact CD1-CG2 3.84Å; M91-T95 WeakPolarHBondContact O-CB 3.44Å; M91-T95 VanDerWaalsContact O-CG2 3.26Å; M91-T95 WeakPolarHBondContact O-CG2 3.29Å; M91-T95 PolarHBondContact O-N 2.83Å; M91-T95 PolarHBondContact O-OG1 3.2Å; T92-T95 PolarHBondContact O-OG1 3.05Å; Y93-T95 VanDerWaalsContact C-N 3.28Å; Y93-T95 PolarHBondContact O-N 3.48Å |
| 96 | S | 88.2 | Confident | 93.8 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | trans | -87.7 | -2.1 | 174.7 | 68.6 | 0 | 0 | 0 | 0 | 114 | T92 Y93 | T92-S96 WeakPolarHBondContact O-CB 3.42Å; T92-S96 PolarHBondContact O-N 3.02Å; T92-S96 PolarHBondContact O-OG 3.25Å; Y93-S96 PolarHBondContact O-N 2.95Å; Y93-S96 PolarHBondContact O-OG 3.22Å | ||
| 97 | I | 84.2 | Confident | 93.5 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 49% | 0.492 | 33% | 0.329 | S | S | . | . | trans | -97.3 | 0 | 177.2 | -59.8 | 170.1 | 0 | 0 | 0 | 110.8 | L59 Y93 | L59-I97 HydrophobicContact CD1-CB 3.96Å; L59-I97 HydrophobicContact CD1-CD1 3.94Å; L59-I97 HydrophobicContact CD1-CG2 3.75Å; Y93-I97 HydrophobicContact CD1-CD1 4.19Å; Y93-I97 HydrophobicContact CE1-CD1 3.62Å; Y93-I97 HydrophobicContact CE2-CD1 4.38Å; Y93-I97 WeakPolarHBondContact O-CG1 3.26Å |
Retrieved 97 of 97 residues in 31.3 ms
(Link to these results)