| 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 | L | 50.9 | Low | 59.5 | Low | 190 Ų | 190 | 117.9 Ų | 117.9 | 100% | 0.995 | 63% | 0.627 | S | S | * | * | 0 | -40.7 | 0 | -74.7 | 156.3 | 0 | 0 | 0 | 114.5 | |||||
| 2 | P | 57.5 | Low | 60.1 | Low | 104 Ų | 104 | 118.1 Ų | 118.1 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.3 | -35.6 | -175.5 | 23 | -30.1 | 0 | 0 | 0 | 115.4 | Y4 L5 E6 | P2-Y4 VanDerWaalsContact C-N 3.3Å; P2-Y4 PolarHBondContact O-N 3.25Å; P2-L5 PolarHBondContact O-N 3.38Å; P2-E6 PolarHBondContact O-N 3.41Å |
| 3 | C | 51.3 | Low | 60.2 | Low | 87 Ų | 87 | 117.6 Ų | 117.6 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.5 | -23 | -179.2 | -66.6 | 0 | 0 | 0 | 0 | 115.4 | K7 | C3-K7 WeakPolarHBondContact O-CG 3.49Å; C3-K7 PolarHBondContact O-N 3.25Å |
| 4 | Y | 50.9 | Low | 60.4 | Low | 199 Ų | 199 | 119.4 Ų | 119.4 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -38.7 | 180 | -94.8 | -88.8 | 0 | 0 | 0 | 111.9 | P2 A8 | P2-Y4 VanDerWaalsContact C-N 3.3Å; P2-Y4 PolarHBondContact O-N 3.25Å; Y4-A8 WeakPolarHBondContact O-CB 3.49Å; Y4-A8 PolarHBondContact O-N 3.49Å |
| 5 | L | 56.2 | Low | 60.7 | Low | 135 Ų | 135 | 117.9 Ų | 117.9 | 71% | 0.707 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | 175.4 | -84.9 | 153.8 | 0 | 0 | 0 | 111.5 | P2 A8 A9 | P2-L5 PolarHBondContact O-N 3.38Å; L5-A8 PolarHBondContact O-N 3.07Å; L5-A9 PolarHBondContact O-N 3.46Å |
| 6 | E | 57.9 | Low | 60.9 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 178.8 | -158.8 | 173.3 | -173.5 | 0 | 0 | 112.2 | P2 A8 A9 Q10 | P2-E6 PolarHBondContact O-N 3.41Å; E6-A8 PolarHBondContact O-N 3.5Å; E6-A9 PolarHBondContact O-N 3.39Å; E6-Q10 PolarHBondContact O-N 3Å; E6-Q10 VanDerWaalsContact O-N 3.07Å |
| 7 | K | 61.3 | Low | 61.1 | Low | 149 Ų | 149 | 112.3 Ų | 112.3 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.6 | -37.7 | 173.4 | -77.8 | -176.2 | 176.9 | -177.3 | 0 | 112.9 | C3 Q10 T11 | C3-K7 WeakPolarHBondContact O-CG 3.49Å; C3-K7 PolarHBondContact O-N 3.25Å; K7-Q10 PolarHBondContact O-N 3.37Å; K7-T11 WeakPolarHBondContact O-CB 3.44Å; K7-T11 PolarHBondContact O-N 3.07Å; K7-T11 VanDerWaalsContact O-N 3.09Å; K7-T11 PolarHBondContact O-OG1 3.27Å |
| 8 | A | 67.3 | Low | 61.5 | Low | 49 Ų | 49 | 112.8 Ų | 112.8 | 41% | 0.405 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y4 L5 E6 Q10 T11 L12 | Y4-A8 WeakPolarHBondContact O-CB 3.49Å; Y4-A8 PolarHBondContact O-N 3.49Å; L5-A8 PolarHBondContact O-N 3.07Å; E6-A8 PolarHBondContact O-N 3.5Å; A8-Q10 PolarHBondContact O-N 2.73Å; A8-T11 PolarHBondContact O-N 3.23Å; A8-L12 PolarHBondContact O-N 3.03Å |
| 9 | A | 68.6 | Low | 61.5 | Low | 51 Ų | 51 | 109.2 Ų | 109.2 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L5 E6 T11 L12 L13 | L5-A9 PolarHBondContact O-N 3.46Å; E6-A9 PolarHBondContact O-N 3.39Å; A9-T11 VanDerWaalsContact C-N 3.32Å; A9-T11 PolarHBondContact O-N 3.49Å; A9-L12 PolarHBondContact O-N 3.09Å; A9-L13 PolarHBondContact O-N 3.04Å |
| 10 | Q | 65.4 | Low | 61.4 | Low | 120 Ų | 120 | 106.5 Ų | 106.5 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.3 | -31.3 | 178.7 | -133.1 | 162.4 | 30.6 | 0 | 0 | 113 | E6 K7 A8 K14 | E6-Q10 PolarHBondContact O-N 3Å; E6-Q10 VanDerWaalsContact O-N 3.07Å; K7-Q10 PolarHBondContact O-N 3.37Å; A8-Q10 PolarHBondContact O-N 2.73Å; Q10-K14 WeakPolarHBondContact O-CG 3.27Å; Q10-K14 PolarHBondContact O-N 3.09Å |
| 11 | T | 67.6 | Low | 61.2 | Low | 80 Ų | 80 | 108.3 Ų | 108.3 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.1 | -41.3 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | K7 A8 A9 K14 L15 | K7-T11 WeakPolarHBondContact O-CB 3.44Å; K7-T11 PolarHBondContact O-N 3.07Å; K7-T11 VanDerWaalsContact O-N 3.09Å; K7-T11 PolarHBondContact O-OG1 3.27Å; A8-T11 PolarHBondContact O-N 3.23Å; A9-T11 VanDerWaalsContact C-N 3.32Å; A9-T11 PolarHBondContact O-N 3.49Å; T11-K14 PolarHBondContact O-N 3.44Å; T11-L15 HydrophobicContact CG2-CD1 4.04Å; T11-L15 WeakPolarHBondContact O-CD1 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.48Å; T11-L15 PolarHBondContact O-N 2.79Å |
| 12 | L | 66.8 | Low | 61.6 | Low | 120 Ų | 120 | 104.6 Ų | 104.6 | 63% | 0.628 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | 175.1 | -78.1 | 165 | 0 | 0 | 0 | 112.8 | A8 A9 K14 L15 S16 | A8-L12 PolarHBondContact O-N 3.03Å; A9-L12 PolarHBondContact O-N 3.09Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 3.33Å; L12-S16 PolarHBondContact O-OG 3.41Å |
| 13 | L | 61.2 | Low | 61.3 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -36.4 | 173.9 | -86.1 | 157 | 0 | 0 | 0 | 113 | A9 S16 S17 | A9-L13 PolarHBondContact O-N 3.04Å; L13-S16 PolarHBondContact O-OG 3.38Å; L13-S17 WeakPolarHBondContact O-CB 3.5Å; L13-S17 PolarHBondContact O-N 3.02Å; L13-S17 VanDerWaalsContact O-N 3.09Å; L13-S17 PolarHBondContact O-OG 3.4Å |
| 14 | K | 62.8 | Low | 61.6 | Low | 142 Ų | 142 | 105.5 Ų | 105.5 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.4 | -42.6 | 174.8 | -79.8 | 178.6 | 178.6 | 178.5 | 0 | 111.8 | Q10 T11 L12 S17 Q18 | Q10-K14 WeakPolarHBondContact O-CG 3.27Å; Q10-K14 PolarHBondContact O-N 3.09Å; T11-K14 PolarHBondContact O-N 3.44Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.28Å; K14-S17 PolarHBondContact O-N 2.93Å; K14-Q18 WeakPolarHBondContact O-CB 3.45Å; K14-Q18 WeakPolarHBondContact O-CG 3.33Å; K14-Q18 PolarHBondContact O-N 2.89Å |
| 15 | L | 65.2 | Low | 61.9 | Low | 97 Ų | 97 | 98.9 Ų | 98.9 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.2 | -76.7 | 158.2 | 0 | 0 | 0 | 111.9 | T11 L12 Q18 A19 | T11-L15 HydrophobicContact CG2-CD1 4.04Å; T11-L15 WeakPolarHBondContact O-CD1 3.36Å; T11-L15 WeakPolarHBondContact O-CG 3.48Å; T11-L15 PolarHBondContact O-N 2.79Å; L12-L15 PolarHBondContact O-N 2.93Å; L15-Q18 PolarHBondContact O-N 3.42Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 2.98Å |
| 16 | S | 64.4 | Low | 62.1 | Low | 65 Ų | 65 | 98.7 Ų | 98.7 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 175.7 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | L12 L13 A20 | L12-S16 WeakPolarHBondContact O-CB 3.32Å; L12-S16 PolarHBondContact O-N 3.33Å; L12-S16 PolarHBondContact O-OG 3.41Å; L13-S16 PolarHBondContact O-OG 3.38Å; S16-A20 VanDerWaalsContact O-CB 3.27Å; S16-A20 WeakPolarHBondContact O-CB 3.45Å; S16-A20 PolarHBondContact O-N 2.91Å |
| 17 | S | 64.4 | Low | 62.3 | Low | 76 Ų | 76 | 95.3 Ų | 95.3 | 53% | 0.531 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | L13 K14 F21 | L13-S17 WeakPolarHBondContact O-CB 3.5Å; L13-S17 PolarHBondContact O-N 3.02Å; L13-S17 VanDerWaalsContact O-N 3.09Å; L13-S17 PolarHBondContact O-OG 3.4Å; K14-S17 PolarHBondContact O-N 2.93Å; S17-F21 WeakPolarHBondContact O-CB 3.36Å; S17-F21 PolarHBondContact O-N 2.93Å |
| 18 | Q | 67.2 | Low | 62.4 | Low | 121 Ų | 121 | 93.1 Ų | 93.1 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 175.6 | -76.3 | 175.2 | -5.9 | 0 | 0 | 112.1 | K14 L15 F21 L22 | K14-Q18 WeakPolarHBondContact O-CB 3.45Å; K14-Q18 WeakPolarHBondContact O-CG 3.33Å; K14-Q18 PolarHBondContact O-N 2.89Å; L15-Q18 PolarHBondContact O-N 3.42Å; Q18-F21 PolarHBondContact O-N 2.9Å; Q18-L22 PolarHBondContact O-N 3.37Å |
| 19 | A | 61.4 | Low | 62.2 | Low | 45 Ų | 45 | 99.4 Ų | 99.4 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L15 F21 L22 F23 | L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 2.98Å; A19-F21 VanDerWaalsContact C-N 3.31Å; A19-F21 PolarHBondContact O-N 3.04Å; A19-L22 PolarHBondContact O-N 3.38Å; A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.27Å |
| 20 | A | 60.7 | Low | 62.5 | Low | 55 Ų | 55 | 101.1 Ų | 101.1 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S16 S24 | S16-A20 VanDerWaalsContact O-CB 3.27Å; S16-A20 WeakPolarHBondContact O-CB 3.45Å; S16-A20 PolarHBondContact O-N 2.91Å; A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.38Å; A20-S24 PolarHBondContact O-N 3.05Å; A20-S24 PolarHBondContact O-OG 3.38Å |
| 21 | F | 57 | Low | 63.1 | Low | 145 Ų | 145 | 99.7 Ų | 99.7 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64 | -47.3 | 174.8 | -175.6 | -99.7 | 0 | 0 | 0 | 112 | S17 Q18 A19 S24 T25 | S17-F21 WeakPolarHBondContact O-CB 3.36Å; S17-F21 PolarHBondContact O-N 2.93Å; Q18-F21 PolarHBondContact O-N 2.9Å; A19-F21 VanDerWaalsContact C-N 3.31Å; A19-F21 PolarHBondContact O-N 3.04Å; F21-S24 PolarHBondContact O-N 2.76Å; F21-T25 HydrophobicContact CD1-CG2 4.32Å; F21-T25 HydrophobicContact CE1-CG2 4Å; F21-T25 HydrophobicContact CE2-CG2 4.45Å; F21-T25 HydrophobicContact CZ-CG2 4.07Å; F21-T25 WeakPolarHBondContact O-CG2 3.27Å; F21-T25 PolarHBondContact O-N 3.32Å; F21-T25 PolarHBondContact O-OG1 3.23Å |
| 22 | L | 58.4 | Low | 63.7 | Low | 112 Ų | 112 | 97.7 Ų | 97.7 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.9 | -49.8 | 177.1 | -86.3 | 151.9 | 0 | 0 | 0 | 112.2 | Q18 A19 S24 T25 E26 | Q18-L22 PolarHBondContact O-N 3.37Å; A19-L22 PolarHBondContact O-N 3.38Å; L22-S24 VanDerWaalsContact C-N 3.33Å; L22-S24 PolarHBondContact O-N 2.96Å; L22-T25 WeakPolarHBondContact CA-OG1 3.36Å; L22-T25 PolarHBondContact O-N 3.03Å; L22-T25 PolarHBondContact O-OG1 2.99Å; L22-E26 PolarHBondContact O-N 3.42Å |
| 23 | F | 52.3 | Low | 64.3 | Low | 150 Ų | 150 | 94.7 Ų | 94.7 | 66% | 0.658 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -39.9 | 176.3 | -90.5 | -79.1 | 0 | 0 | 0 | 112.6 | A19 E26 S27 | A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.27Å; F23-E26 PolarHBondContact O-N 3.3Å; F23-S27 PolarHBondContact O-N 2.65Å; F23-S27 PolarHBondContact O-OG 2.91Å |
| 24 | S | 56.2 | Low | 65.4 | Low | 60 Ų | 60 | 95.1 Ų | 95.1 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | A20 F21 L22 E26 S27 D28 | A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.38Å; A20-S24 PolarHBondContact O-N 3.05Å; A20-S24 PolarHBondContact O-OG 3.38Å; F21-S24 PolarHBondContact O-N 2.76Å; L22-S24 VanDerWaalsContact C-N 3.33Å; L22-S24 PolarHBondContact O-N 2.96Å; S24-E26 VanDerWaalsContact C-N 3.35Å; S24-E26 PolarHBondContact O-N 2.86Å; S24-S27 PolarHBondContact O-N 3.23Å; S24-S27 PolarHBondContact O-OG 3.42Å; S24-D28 WeakPolarHBondContact O-CB 3.44Å; S24-D28 VanDerWaalsContact O-CG 3.28Å; S24-D28 PolarHBondContact O-N 3.3Å |
| 25 | T | 58.6 | Low | 66.4 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 36% | 0.362 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | F21 L22 D28 Y29 | F21-T25 HydrophobicContact CD1-CG2 4.32Å; F21-T25 HydrophobicContact CE1-CG2 4Å; F21-T25 HydrophobicContact CE2-CG2 4.45Å; F21-T25 HydrophobicContact CZ-CG2 4.07Å; F21-T25 WeakPolarHBondContact O-CG2 3.27Å; F21-T25 PolarHBondContact O-N 3.32Å; F21-T25 PolarHBondContact O-OG1 3.23Å; L22-T25 WeakPolarHBondContact CA-OG1 3.36Å; L22-T25 PolarHBondContact O-N 3.03Å; L22-T25 PolarHBondContact O-OG1 2.99Å; T25-D28 PolarHBondContact O-N 2.94Å; T25-Y29 WeakPolarHBondContact O-CB 3.32Å; T25-Y29 PolarHBondContact O-N 3.02Å |
| 26 | E | 59.8 | Low | 67.2 | Low | 131 Ų | 131 | 85.2 Ų | 85.2 | 61% | 0.612 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 176.2 | -127.6 | 179.3 | 175.5 | 0 | 0 | 111.6 | L22 F23 S24 Y29 T30 | L22-E26 PolarHBondContact O-N 3.42Å; F23-E26 PolarHBondContact O-N 3.3Å; S24-E26 VanDerWaalsContact C-N 3.35Å; S24-E26 PolarHBondContact O-N 2.86Å; E26-Y29 PolarHBondContact O-N 2.7Å; E26-T30 WeakPolarHBondContact O-CG2 3.38Å; E26-T30 PolarHBondContact O-N 3.09Å; E26-T30 PolarHBondContact O-OG1 3.48Å |
| 27 | S | 61.9 | Low | 68.2 | Low | 63 Ų | 63 | 85.2 Ų | 85.2 | 44% | 0.441 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 173.7 | 67.1 | 0 | 0 | 0 | 0 | 113 | F23 S24 T30 H31 | F23-S27 PolarHBondContact O-N 2.65Å; F23-S27 PolarHBondContact O-OG 2.91Å; S24-S27 PolarHBondContact O-N 3.23Å; S24-S27 PolarHBondContact O-OG 3.42Å; S27-T30 WeakPolarHBondContact CA-OG1 3.41Å; S27-T30 PolarHBondContact O-OG1 3.3Å; S27-H31 WeakPolarHBondContact O-CB 3.46Å; S27-H31 PolarHBondContact O-N 3.18Å |
| 28 | D | 62.1 | Low | 69.3 | Low | 103 Ų | 103 | 84.1 Ų | 84.1 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69 | -37.8 | 177.4 | -76.2 | -24.4 | 0 | 0 | 0 | 111.2 | S24 T25 D32 | S24-D28 WeakPolarHBondContact O-CB 3.44Å; S24-D28 VanDerWaalsContact O-CG 3.28Å; S24-D28 PolarHBondContact O-N 3.3Å; T25-D28 PolarHBondContact O-N 2.94Å; D28-D32 WeakPolarHBondContact O-CB 3.17Å; D28-D32 PolarHBondContact O-N 2.94Å |
| 29 | Y | 63.8 | Low | 70.2 | Confident | 181 Ų | 181 | 79.3 Ų | 79.3 | 71% | 0.71 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.1 | -44.2 | 177 | -172.3 | -95.7 | 0 | 0 | 0 | 112.1 | T25 E26 D32 A33 | T25-Y29 WeakPolarHBondContact O-CB 3.32Å; T25-Y29 PolarHBondContact O-N 3.02Å; E26-Y29 PolarHBondContact O-N 2.7Å; Y29-D32 PolarHBondContact O-N 2.86Å; Y29-A33 WeakPolarHBondContact O-CB 3.27Å; Y29-A33 PolarHBondContact O-N 3.49Å |
| 30 | T | 74.4 | Confident | 71.4 | Confident | 87 Ų | 87 | 84.4 Ų | 84.4 | 53% | 0.534 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | E26 S27 F34 | E26-T30 WeakPolarHBondContact O-CG2 3.38Å; E26-T30 PolarHBondContact O-N 3.09Å; E26-T30 PolarHBondContact O-OG1 3.48Å; S27-T30 WeakPolarHBondContact CA-OG1 3.41Å; S27-T30 PolarHBondContact O-OG1 3.3Å; T30-F34 PolarHBondContact O-N 2.77Å; T30-F34 VanDerWaalsContact O-N 3.12Å |
| 31 | H | 79.4 | Confident | 72.8 | Confident | 90 Ų | 90 | 87 Ų | 87 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 172.6 | 175.7 | -92.9 | 0 | 0 | 0 | 111.8 | S27 F34 C35 F107 | S27-H31 WeakPolarHBondContact O-CB 3.46Å; S27-H31 PolarHBondContact O-N 3.18Å; H31-F34 PolarHBondContact O-N 3.42Å; H31-C35 WeakPolarHBondContact O-CB 3.45Å; H31-C35 PolarHBondContact O-N 3.08Å; H31-F107 PolarHBondContact CE1-O 2.94Å; H31-F107 PolarHBondContact NE2-O 2.83Å |
| 32 | D | 79 | Confident | 74.3 | Confident | 37 Ų | 37 | 85.4 Ų | 85.4 | 20% | 0.198 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | -179.8 | -165.3 | 51.8 | 0 | 0 | 0 | 112.4 | D28 Y29 F34 C35 M36 S110 | D28-D32 WeakPolarHBondContact O-CB 3.17Å; D28-D32 PolarHBondContact O-N 2.94Å; Y29-D32 PolarHBondContact O-N 2.86Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.33Å; D32-C35 WeakPolarHBondContact O-CB 2.89Å; D32-C35 PolarHBondContact O-N 3.19Å; D32-M36 WeakPolarHBondContact O-CB 3.44Å; D32-M36 VanDerWaalsContact O-CG 3.23Å; D32-M36 WeakPolarHBondContact O-CG 3.47Å; D32-M36 PolarHBondContact O-N 3.22Å; D32-S110 VanDerWaalsContact OD1-CB 3.24Å; D32-S110 WeakPolarHBondContact OD1-CB 3.3Å; D32-S110 PolarHBondContact OD1-N 2.82Å; D32-S110 PolarHBondContact OD1-OG 3.26Å; D32-S110 WeakPolarHBondContact OD2-CB 3.46Å; D32-S110 PolarHBondContact OD2-OG 3.36Å |
| 33 | A | 80.7 | Confident | 75.9 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y29 S37 | Y29-A33 WeakPolarHBondContact O-CB 3.27Å; Y29-A33 PolarHBondContact O-N 3.49Å; A33-S37 WeakPolarHBondContact O-CB 3.33Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 VanDerWaalsContact O-N 3.09Å; A33-S37 PolarHBondContact O-OG 2.82Å |
| 34 | F | 82.8 | Confident | 77.8 | Confident | 122 Ų | 122 | 77.6 Ų | 77.6 | 54% | 0.535 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 174.4 | 176.6 | -95.7 | 0 | 0 | 0 | 112.1 | T30 H31 D32 M36 S37 E38 | T30-F34 PolarHBondContact O-N 2.77Å; T30-F34 VanDerWaalsContact O-N 3.12Å; H31-F34 PolarHBondContact O-N 3.42Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.33Å; F34-M36 VanDerWaalsContact C-N 3.32Å; F34-M36 PolarHBondContact O-N 3.04Å; F34-S37 PolarHBondContact O-N 2.69Å; F34-S37 PolarHBondContact O-OG 3.05Å; F34-E38 HydrophobicContact CE1-CG 4.06Å; F34-E38 HydrophobicContact CE2-CG 3.98Å; F34-E38 HydrophobicContact CZ-CG 3.72Å; F34-E38 PolarHBondContact O-N 3.49Å |
| 35 | C | 84.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 179.2 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | H31 D32 C39 F107 C109 | H31-C35 WeakPolarHBondContact O-CB 3.45Å; H31-C35 PolarHBondContact O-N 3.08Å; D32-C35 WeakPolarHBondContact O-CB 2.89Å; D32-C35 PolarHBondContact O-N 3.19Å; C35-C39 WeakPolarHBondContact O-CB 3.13Å; C35-C39 PolarHBondContact O-N 2.91Å; C35-F107 HydrophobicContact CB-CB 4.32Å; C35-F107 VanDerWaalsContact SG-C 3.52Å; C35-F107 WeakPolarHBondContact SG-CB 3.46Å; C35-F107 PolarHBondContact SG-O 2.79Å; C35-C109 HydrophobicContact CB-CB 4.09Å; C35-C109 WeakPolarHBondContact CB-SG 3.15Å; C35-C109 WeakPolarHBondContact SG-CA 3.14Å; C35-C109 WeakPolarHBondContact SG-CB 3.18Å; C35-C109 PolarHBondContact SG-N 3.02Å; C35-C109 CovalentContact SG-SG 2Å; C35-C109 PolarHBondContact SG-SG 2.51Å |
| 36 | M | 82.3 | Confident | 81.3 | Confident | 29 Ų | 29 | 77.4 Ų | 77.4 | 14% | 0.143 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -34.1 | -179.5 | -71.2 | -61.9 | -64.7 | 0 | 0 | 112.8 | D32 F34 R40 C109 K111 | D32-M36 WeakPolarHBondContact O-CB 3.44Å; D32-M36 VanDerWaalsContact O-CG 3.23Å; D32-M36 WeakPolarHBondContact O-CG 3.47Å; D32-M36 PolarHBondContact O-N 3.22Å; F34-M36 VanDerWaalsContact C-N 3.32Å; F34-M36 PolarHBondContact O-N 3.04Å; M36-R40 VanDerWaalsContact CE-CZ 3.41Å; M36-R40 WeakPolarHBondContact O-CB 3.3Å; M36-R40 WeakPolarHBondContact O-CG 3.41Å; M36-R40 PolarHBondContact O-N 2.87Å; M36-C109 HydrophobicContact SD-CB 4.24Å; M36-K111 HydrophobicContact CE-CB 4.27Å; M36-K111 HydrophobicContact CE-CD 4.05Å; M36-K111 HydrophobicContact SD-CB 3.94Å |
| 37 | S | 86.1 | Confident | 83 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.4 | -48.3 | 176.7 | 72.7 | 0 | 0 | 0 | 0 | 111 | A33 F34 C39 R40 K41 | A33-S37 WeakPolarHBondContact O-CB 3.33Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 VanDerWaalsContact O-N 3.09Å; A33-S37 PolarHBondContact O-OG 2.82Å; F34-S37 PolarHBondContact O-N 2.69Å; F34-S37 PolarHBondContact O-OG 3.05Å; S37-C39 PolarHBondContact O-N 2.93Å; S37-R40 PolarHBondContact O-N 2.79Å; S37-K41 WeakPolarHBondContact O-CB 3.49Å; S37-K41 PolarHBondContact O-N 3.44Å |
| 38 | E | 87.5 | Confident | 84.6 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 178.5 | -75.2 | -60.3 | 126.6 | 0 | 0 | 112.6 | F34 R40 K41 F107 | F34-E38 HydrophobicContact CE1-CG 4.06Å; F34-E38 HydrophobicContact CE2-CG 3.98Å; F34-E38 HydrophobicContact CZ-CG 3.72Å; F34-E38 PolarHBondContact O-N 3.49Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 2.83Å; E38-K41 WeakPolarHBondContact O-CB 3.29Å; E38-K41 WeakPolarHBondContact OE1-CD 3.47Å; E38-K41 IonicContact OE1-NZ 3.76Å; E38-K41 PolarHBondContact OE1-NZ 3.39Å; E38-K41 IonicContact OE2-NZ 2.84Å; E38-K41 PolarHBondContact OE2-NZ 2.85Å; E38-F107 HydrophobicContact CB-CD2 4.49Å; E38-F107 HydrophobicContact CB-CE2 3.87Å; E38-F107 HydrophobicContact CB-CZ 4.23Å |
| 39 | C | 85.4 | Confident | 86.2 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 14% | 0.135 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.3 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | C35 S37 C113 | C35-C39 WeakPolarHBondContact O-CB 3.13Å; C35-C39 PolarHBondContact O-N 2.91Å; S37-C39 PolarHBondContact O-N 2.93Å; C39-C113 HydrophobicContact CB-CB 3.92Å; C39-C113 WeakPolarHBondContact CB-SG 3.37Å; C39-C113 VanDerWaalsContact SG-CA 3.55Å; C39-C113 WeakPolarHBondContact SG-CB 3.48Å; C39-C113 CovalentContact SG-SG 2.01Å; C39-C113 PolarHBondContact SG-SG 3.39Å |
| 40 | R | 86.4 | Confident | 87.6 | Confident | 152 Ų | 152 | 66.5 Ų | 66.5 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -93.7 | -13.5 | -174 | -68.3 | 179.1 | 174.6 | -172.2 | -1.6 | 113.6 | M36 S37 E38 E42 K161 | M36-R40 VanDerWaalsContact CE-CZ 3.41Å; M36-R40 WeakPolarHBondContact O-CB 3.3Å; M36-R40 WeakPolarHBondContact O-CG 3.41Å; M36-R40 PolarHBondContact O-N 2.87Å; S37-R40 PolarHBondContact O-N 2.79Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 2.83Å; R40-E42 PolarHBondContact O-N 2.77Å; R40-K161 PolarHBondContact O-NZ 3.33Å |
| 41 | K | 89.8 | Confident | 88.5 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 47% | 0.47 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -42.8 | 135.8 | 176.4 | -166.6 | 172.3 | -173.3 | 168.4 | 0 | 111.9 | S37 E38 K161 | S37-K41 WeakPolarHBondContact O-CB 3.49Å; S37-K41 PolarHBondContact O-N 3.44Å; E38-K41 WeakPolarHBondContact O-CB 3.29Å; E38-K41 WeakPolarHBondContact OE1-CD 3.47Å; E38-K41 IonicContact OE1-NZ 3.76Å; E38-K41 PolarHBondContact OE1-NZ 3.39Å; E38-K41 IonicContact OE2-NZ 2.84Å; E38-K41 PolarHBondContact OE2-NZ 2.85Å; K41-K161 WeakPolarHBondContact O-CE 3.14Å; K41-K161 PolarHBondContact O-NZ 2.95Å |
| 42 | E | 89.6 | Confident | 89.3 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | trans | -68.3 | 139.7 | 173.4 | -160.4 | 65.7 | 175.9 | 0 | 0 | 109.2 | R40 K161 R167 | R40-E42 PolarHBondContact O-N 2.77Å; E42-K161 IonicContact OE2-NZ 3.04Å; E42-K161 PolarHBondContact OE2-NZ 3.45Å; E42-R167 IonicContact OE1-CZ 2.89Å; E42-R167 IonicContact OE1-NE 3.65Å; E42-R167 PolarHBondContact OE1-NE 3.47Å; E42-R167 IonicContact OE1-NH2 3.94Å; E42-R167 PolarHBondContact OE1-NH2 3.34Å; E42-R167 IonicContact OE2-NH2 3.96Å; E42-R167 PolarHBondContact OE2-NH2 2.97Å; E42-R167 VanDerWaalsContact OE2-NH2 3.1Å | ||
| 43 | K | 91.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 66.6 Ų | 66.6 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | trans | -123.1 | 139 | -173 | -68.4 | 178.2 | -175.8 | -169.5 | 0 | 107.4 | E45 Y48 S156 S157 N158 Y159 | K43-E45 PolarHBondContact O-N 2.95Å; K43-Y48 HydrophobicContact CB-CD2 3.82Å; K43-Y48 HydrophobicContact CB-CE2 3.6Å; K43-Y48 HydrophobicContact CD-CE1 4.03Å; K43-Y48 HydrophobicContact CD-CE2 3.92Å; K43-Y48 HydrophobicContact CG-CD2 4.42Å; K43-Y48 HydrophobicContact CG-CE2 3.76Å; K43-S156 PolarHBondContact NZ-O 2.81Å; K43-S157 PolarHBondContact NZ-O 2.63Å; K43-N158 PolarHBondContact NZ-O 3.23Å; K43-Y159 HydrophobicContact CB-CD2 3.59Å; K43-Y159 HydrophobicContact CB-CE2 3.83Å; K43-Y159 HydrophobicContact CD-CD2 4.43Å; K43-Y159 WeakPolarHBondContact O-CE2 3.47Å | ||
| 44 | D | 92.6 | Very high | 90.9 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | trans | -72.5 | 123.2 | 176 | -174.5 | -81.8 | 0 | 0 | 0 | 110 | R46 E47 Y48 | D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 3.16Å; D44-R46 WeakPolarHBondContact OD1-CA 3.41Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.41Å; D44-R46 PolarHBondContact OD1-N 3.07Å; D44-E47 HydrophobicContact CB-CB 4.06Å; D44-E47 PolarHBondContact OD1-N 3.41Å; D44-Y48 WeakPolarHBondContact O-CD2 3.02Å; D44-Y48 PolarHBondContact O-N 3.1Å | ||
| 45 | E | 94.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -37.3 | -178.1 | -72.4 | 74.9 | -167 | 0 | 0 | 112.7 | K43 Y49 M125 Y159 R167 K170 | K43-E45 PolarHBondContact O-N 2.95Å; E45-Y49 WeakPolarHBondContact O-CB 3.24Å; E45-Y49 PolarHBondContact O-N 3.14Å; E45-M125 HydrophobicContact CB-CE 4.48Å; E45-Y159 HydrophobicContact CG-CE2 3.96Å; E45-Y159 WeakPolarHBondContact CG-OH 3.13Å; E45-Y159 PolarHBondContact OE1-OH 2.94Å; E45-R167 WeakPolarHBondContact OE1-CG 3.49Å; E45-K170 HydrophobicContact CB-CB 4.02Å; E45-K170 HydrophobicContact CG-CB 3.95Å; E45-K170 HydrophobicContact CG-CD 4.34Å; E45-K170 WeakPolarHBondContact OE2-CD 3.35Å; E45-K170 IonicContact OE2-NZ 3.2Å; E45-K170 PolarHBondContact OE2-NZ 2.77Å |
| 46 | R | 93.7 | Very high | 92.2 | Very high | 113 Ų | 113 | 58 Ų | 58 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.5 | -45.5 | -174.9 | -179 | -174.7 | 175.7 | -169 | -2.5 | 111.2 | D44 Y48 Y49 C50 A174 S177 R178 | D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 3.16Å; D44-R46 WeakPolarHBondContact OD1-CA 3.41Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.41Å; D44-R46 PolarHBondContact OD1-N 3.07Å; R46-Y48 VanDerWaalsContact C-N 3.34Å; R46-Y48 PolarHBondContact O-N 2.72Å; R46-Y49 PolarHBondContact O-N 3.37Å; R46-C50 PolarHBondContact O-N 3.33Å; R46-C50 PolarHBondContact O-SG 2.74Å; R46-C50 VanDerWaalsContact O-SG 3.35Å; R46-A174 HydrophobicContact CB-CB 4Å; R46-A174 HydrophobicContact CG-CB 4.15Å; R46-S177 PolarHBondContact NE-OG 2.93Å; R46-R178 PolarHBondContact NH2-O 3.06Å |
| 47 | E | 94.1 | Very high | 92.9 | Very high | 131 Ų | 131 | 56.6 Ų | 56.6 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.5 | -49.7 | 177.3 | -172.9 | -177 | 179.9 | 0 | 0 | 110.9 | D44 Y49 C50 Y51 | D44-E47 HydrophobicContact CB-CB 4.06Å; D44-E47 PolarHBondContact OD1-N 3.41Å; E47-Y49 PolarHBondContact O-N 3.21Å; E47-C50 PolarHBondContact O-N 2.8Å; E47-Y51 PolarHBondContact O-N 2.96Å |
| 48 | Y | 95.5 | Very high | 93.4 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -33.7 | -179.7 | -83.5 | -92.7 | 0 | 0 | 0 | 113 | K43 D44 R46 C50 Y51 S52 S157 Y159 | K43-Y48 HydrophobicContact CB-CD2 3.82Å; K43-Y48 HydrophobicContact CB-CE2 3.6Å; K43-Y48 HydrophobicContact CD-CE1 4.03Å; K43-Y48 HydrophobicContact CD-CE2 3.92Å; K43-Y48 HydrophobicContact CG-CD2 4.42Å; K43-Y48 HydrophobicContact CG-CE2 3.76Å; D44-Y48 WeakPolarHBondContact O-CD2 3.02Å; D44-Y48 PolarHBondContact O-N 3.1Å; R46-Y48 VanDerWaalsContact C-N 3.34Å; R46-Y48 PolarHBondContact O-N 2.72Å; Y48-C50 VanDerWaalsContact C-N 3.29Å; Y48-C50 PolarHBondContact O-N 3.22Å; Y48-Y51 PolarHBondContact O-N 2.77Å; Y48-S52 WeakPolarHBondContact O-CB 3.18Å; Y48-S52 PolarHBondContact O-N 3.31Å; Y48-S52 PolarHBondContact O-OG 2.63Å; Y48-S157 WeakPolarHBondContact CE1-O 3.4Å; Y48-S157 PolarHBondContact OH-O 2.9Å; Y48-Y159 HydrophobicContact CD2-CD2 4.27Å; Y48-Y159 HydrophobicContact CG-CD2 4.02Å; Y48-Y159 HydrophobicContact CG-CG 4.41Å |
| 49 | Y | 95.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 172.8 | 174.2 | -94.5 | 0 | 0 | 0 | 111.7 | E45 R46 E47 A55 K84 A174 V175 | E45-Y49 WeakPolarHBondContact O-CB 3.24Å; E45-Y49 PolarHBondContact O-N 3.14Å; R46-Y49 PolarHBondContact O-N 3.37Å; E47-Y49 PolarHBondContact O-N 3.21Å; Y49-A55 HydrophobicContact CD2-CB 3.92Å; Y49-A55 HydrophobicContact CE2-CB 4.27Å; Y49-K84 HydrophobicContact CE2-CB 3.68Å; Y49-K84 HydrophobicContact CE2-CD 4.09Å; Y49-K84 HydrophobicContact CE2-CG 4.43Å; Y49-K84 PolarHBondContact O-NZ 3.12Å; Y49-A174 HydrophobicContact CD1-CB 3.95Å; Y49-A174 HydrophobicContact CG-CB 3.88Å; Y49-V175 HydrophobicContact CD2-CG2 4.33Å; Y49-V175 HydrophobicContact CE2-CB 4.45Å; Y49-V175 HydrophobicContact CE2-CG2 3.5Å; Y49-V175 VanDerWaalsContact CE2-CG2 3.5Å |
| 50 | C | 94.1 | Very high | 94.5 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 28% | 0.284 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.9 | -43.4 | 178.9 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | R46 E47 Y48 S52 C179 | R46-C50 PolarHBondContact O-N 3.33Å; R46-C50 PolarHBondContact O-SG 2.74Å; R46-C50 VanDerWaalsContact O-SG 3.35Å; E47-C50 PolarHBondContact O-N 2.8Å; Y48-C50 VanDerWaalsContact C-N 3.29Å; Y48-C50 PolarHBondContact O-N 3.22Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.46Å; C50-C179 WeakPolarHBondContact CA-SG 3.47Å; C50-C179 HydrophobicContact CB-CB 3.68Å; C50-C179 WeakPolarHBondContact CB-SG 3.47Å; C50-C179 WeakPolarHBondContact SG-CA 3.42Å; C50-C179 WeakPolarHBondContact SG-CB 3.02Å; C50-C179 CovalentContact SG-SG 2.04Å; C50-C179 PolarHBondContact SG-SG 3.26Å |
| 51 | Y | 94.3 | Very high | 95 | Very high | 166 Ų | 166 | 50.8 Ų | 50.8 | 65% | 0.651 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.4 | -26.8 | 178.6 | -176.9 | -101.5 | 0 | 0 | 0 | 113.9 | E47 Y48 Q127 | E47-Y51 PolarHBondContact O-N 2.96Å; Y48-Y51 PolarHBondContact O-N 2.77Å; Y51-Q127 PolarHBondContact O-NE2 3.48Å |
| 52 | S | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | trans | -82.8 | 143.4 | -173.9 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | Y48 C50 F54 K84 M125 G126 | Y48-S52 WeakPolarHBondContact O-CB 3.18Å; Y48-S52 PolarHBondContact O-N 3.31Å; Y48-S52 PolarHBondContact O-OG 2.63Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.46Å; S52-F54 WeakPolarHBondContact CB-O 3.32Å; S52-K84 WeakPolarHBondContact O-CE 3.2Å; S52-K84 PolarHBondContact O-NZ 3.02Å; S52-M125 VanDerWaalsContact OG-CB 3.3Å; S52-M125 WeakPolarHBondContact OG-CB 3.26Å; S52-G126 CarbonylContact C-O 3.55Å; S52-G126 WeakPolarHBondContact CA-O 3.37Å; S52-G126 WeakPolarHBondContact CB-O 3.47Å; S52-G126 PolarHBondContact OG-N 3.03Å | ||
| 53 | E | 95.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -75 | -33.5 | 171.5 | -70.3 | -179.1 | 94.3 | 0 | 0 | 111.3 | S86 G126 Q127 I128 H130 R133 | E53-S86 WeakPolarHBondContact O-CB 3.23Å; E53-S86 PolarHBondContact O-OG 3.28Å; E53-G126 PolarHBondContact N-O 2.75Å; E53-Q127 PolarHBondContact OE2-OE1 3.46Å; E53-I128 HydrophobicContact CB-CB 4.46Å; E53-I128 HydrophobicContact CB-CD1 4.01Å; E53-I128 HydrophobicContact CB-CG1 3.9Å; E53-I128 PolarHBondContact OE2-N 2.82Å; E53-H130 IonicContact OE1-CD2 2.85Å; E53-H130 IonicContact OE1-CE1 3.48Å; E53-H130 IonicContact OE1-NE2 3.65Å; E53-H130 PolarHBondContact OE1-NE2 3.46Å; E53-H130 IonicContact OE2-NE2 3.72Å; E53-R133 IonicContact OE1-NH2 2.81Å; E53-R133 IonicContact OE2-CZ 3.51Å; E53-R133 IonicContact OE2-NH1 3.23Å; E53-R133 IonicContact OE2-NH2 3.27Å; E53-R133 PolarHBondContact OE2-NH2 2.97Å |
| 54 | F | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.4 | 176.2 | 80.3 | -86.2 | 0 | 0 | 0 | 111.3 | S52 V56 K84 L88 L101 V124 M125 G126 Q127 I128 L154 | S52-F54 WeakPolarHBondContact CB-O 3.32Å; F54-V56 HydrophobicContact CD2-CG1 4.44Å; F54-V56 HydrophobicContact CD2-CG2 4.29Å; F54-V56 HydrophobicContact CE2-CG2 4.26Å; F54-K84 CarbonylContact C-O 3.5Å; F54-K84 VanDerWaalsContact CA-O 3.28Å; F54-K84 WeakPolarHBondContact CA-O 3.18Å; F54-L88 HydrophobicContact CB-CB 4.29Å; F54-L88 HydrophobicContact CB-CD1 4.38Å; F54-L88 HydrophobicContact CB-CD2 4.12Å; F54-L88 HydrophobicContact CD1-CD1 4.23Å; F54-L88 HydrophobicContact CD2-CD1 4.24Å; F54-L88 HydrophobicContact CD2-CD2 3.84Å; F54-L88 HydrophobicContact CG-CD1 4.02Å; F54-L88 HydrophobicContact CG-CD2 4.12Å; F54-L101 HydrophobicContact CE1-CD2 4.44Å; F54-L101 HydrophobicContact CE2-CD2 3.78Å; F54-L101 HydrophobicContact CZ-CD2 3.59Å; F54-V124 HydrophobicContact CE2-CG2 4.04Å; F54-M125 CarbonylContact O-C 3.59Å; F54-M125 VanDerWaalsContact O-CA 3.26Å; F54-M125 WeakPolarHBondContact O-CA 3.39Å; F54-G126 WeakPolarHBondContact CD1-O 3.4Å; F54-G126 VanDerWaalsContact CE1-CA 3.49Å; F54-G126 PolarHBondContact N-O 2.9Å; F54-G126 VanDerWaalsContact N-O 3.14Å; F54-G126 PolarHBondContact O-N 3.49Å; F54-Q127 WeakPolarHBondContact CD1-O 3.34Å; F54-Q127 WeakPolarHBondContact CE1-O 3.25Å; F54-I128 HydrophobicContact CB-CG1 4.45Å; F54-I128 HydrophobicContact CD1-CG1 4.18Å; F54-L154 HydrophobicContact CZ-CD2 3.97Å; F54-L154 HydrophobicContact CZ-CG 4.39Å |
| 55 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 119.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y49 Y83 K84 V124 M125 | Y49-A55 HydrophobicContact CD2-CB 3.92Å; Y49-A55 HydrophobicContact CE2-CB 4.27Å; A55-Y83 HydrophobicContact CB-CD2 4.27Å; A55-Y83 WeakPolarHBondContact O-CA 3.35Å; A55-Y83 WeakPolarHBondContact O-CB 3.37Å; A55-Y83 PolarHBondContact O-N 2.85Å; A55-K84 HydrophobicContact CB-CB 3.94Å; A55-K84 PolarHBondContact N-O 2.01Å; A55-K84 PolarHBondContact O-N 3Å; A55-V124 CarbonylContact C-O 3.59Å; A55-V124 WeakPolarHBondContact CA-O 3.35Å; A55-M125 HydrophobicContact CB-CB 4.05Å; A55-M125 HydrophobicContact CB-CG 3.71Å; A55-M125 HydrophobicContact CB-SD 4.23Å |
| 56 | V | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.9 | -178.5 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | F54 L75 V77 G81 F82 L88 I123 V124 | F54-V56 HydrophobicContact CD2-CG1 4.44Å; F54-V56 HydrophobicContact CD2-CG2 4.29Å; F54-V56 HydrophobicContact CE2-CG2 4.26Å; V56-L75 HydrophobicContact CG2-CD1 4.37Å; V56-V77 HydrophobicContact CB-CG2 4.38Å; V56-V77 HydrophobicContact CG2-CG2 4.29Å; V56-G81 CarbonylContact C-O 3.39Å; V56-G81 VanDerWaalsContact CA-O 3.25Å; V56-G81 WeakPolarHBondContact CA-O 3.22Å; V56-F82 HydrophobicContact CB-CD1 4.39Å; V56-F82 HydrophobicContact CG1-CD1 3.46Å; V56-F82 VanDerWaalsContact CG1-CD1 3.46Å; V56-F82 HydrophobicContact CG1-CE1 3.95Å; V56-F82 HydrophobicContact CG1-CG 4.42Å; V56-L88 HydrophobicContact CG1-CD2 4.04Å; V56-I123 WeakPolarHBondContact O-CA 3.25Å; V56-V124 HydrophobicContact CG2-CG2 3.43Å; V56-V124 VanDerWaalsContact CG2-CG2 3.43Å; V56-V124 PolarHBondContact N-O 3.28Å; V56-V124 PolarHBondContact O-N 3.3Å; V56-V124 VanDerWaalsContact O-O 3.13Å |
| 57 | N | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.5 | 163.7 | 82.8 | 40.9 | 0 | 0 | 0 | 109.5 | V77 G81 Y83 R121 Y122 I123 F163 | N57-V77 VanDerWaalsContact O-CG1 3.29Å; N57-V77 WeakPolarHBondContact O-CG1 2.89Å; N57-V77 WeakPolarHBondContact O-CG2 3Å; N57-G81 VanDerWaalsContact CG-CA 3.46Å; N57-G81 PolarHBondContact N-O 3.49Å; N57-G81 WeakPolarHBondContact OD1-CA 3.48Å; N57-Y83 HydrophobicContact CB-CE2 3.88Å; N57-Y83 PolarHBondContact ND2-OH 3.04Å; N57-R121 PolarHBondContact OD1-NE 2.97Å; N57-R121 PolarHBondContact OD1-NH2 3.05Å; N57-Y122 CarbonylContact C-O 3.52Å; N57-Y122 WeakPolarHBondContact CA-O 3.36Å; N57-I123 HydrophobicContact CB-CG1 3.9Å; N57-F163 HydrophobicContact CB-CD2 4.29Å |
| 58 | G | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M76 R121 Y122 | G58-M76 CarbonylContact C-O 3.59Å; G58-M76 WeakPolarHBondContact CA-O 3.5Å; G58-R121 CarbonylContact O-C 3.51Å; G58-R121 VanDerWaalsContact O-CA 3.3Å; G58-R121 WeakPolarHBondContact O-CA 3.38Å; G58-Y122 PolarHBondContact N-O 3.4Å; G58-Y122 PolarHBondContact O-N 3.41Å |
| 59 | I | 97.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 35% | 0.354 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134 | 176.2 | -62.6 | 165.2 | 0 | 0 | 0 | 108.4 | H61 L75 M76 R121 | I59-H61 PolarHBondContact O-N 3.33Å; I59-H61 VanDerWaalsContact O-N 3.16Å; I59-L75 CarbonylContact O-C 3.52Å; I59-L75 WeakPolarHBondContact O-CA 3.3Å; I59-M76 PolarHBondContact N-O 3.32Å; I59-M76 PolarHBondContact O-N 2.81Å; I59-R121 HydrophobicContact CG1-CB 4.02Å; I59-R121 HydrophobicContact CG1-CG 4.06Å |
| 60 | V | 97.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 108.9 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | I63 L75 I116 K117 L118 G119 A120 Y122 | V60-I63 HydrophobicContact CG1-CD1 3.88Å; V60-I63 HydrophobicContact CG1-CG1 3.59Å; V60-L75 HydrophobicContact CB-CD2 4.14Å; V60-L75 HydrophobicContact CG2-CD2 3.56Å; V60-I116 HydrophobicContact CB-CG2 4.4Å; V60-I116 HydrophobicContact CG1-CG2 4.08Å; V60-I116 HydrophobicContact CG2-CG2 3.5Å; V60-I116 VanDerWaalsContact CG2-CG2 3.5Å; V60-K117 WeakPolarHBondContact CB-O 3.33Å; V60-L118 HydrophobicContact CG1-CD1 4.29Å; V60-G119 WeakPolarHBondContact O-CA 3.44Å; V60-G119 PolarHBondContact O-N 3.38Å; V60-A120 PolarHBondContact N-O 3.02Å; V60-Y122 HydrophobicContact CG2-CD2 3.7Å; V60-Y122 HydrophobicContact CG2-CE2 3.99Å |
| 61 | H | 96.8 | Very high | 94.2 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -37.6 | -179.7 | 174.8 | -83.9 | 0 | 0 | 0 | 112.1 | I59 T74 M76 L118 | I59-H61 PolarHBondContact O-N 3.33Å; I59-H61 VanDerWaalsContact O-N 3.16Å; H61-T74 PolarHBondContact N-O 2.87Å; H61-M76 HydrophobicContact CB-CG 3.85Å; H61-M76 HydrophobicContact CB-SD 4.06Å; H61-M76 PolarHBondContact CD2-SD 3.15Å; H61-L118 VanDerWaalsContact O-CD1 3.29Å; H61-L118 WeakPolarHBondContact O-CD1 3.3Å |
| 62 | D | 96.3 | Very high | 94.2 | Very high | 78 Ų | 78 | 42.9 Ų | 42.9 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 149.6 | -176.9 | -172.9 | 30.6 | 0 | 0 | 0 | 111.9 | I73 T74 | D62-I73 VanDerWaalsContact O-CA 3.3Å; D62-I73 WeakPolarHBondContact O-CA 3.35Å; D62-T74 PolarHBondContact N-O 2.82Å; D62-T74 PolarHBondContact O-N 2.77Å |
| 63 | I | 96 | Very high | 94.3 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 107.3 | 177.1 | -56.1 | 178.8 | 0 | 0 | 0 | 108.7 | V60 V65 L72 I73 I116 L118 | V60-I63 HydrophobicContact CG1-CD1 3.88Å; V60-I63 HydrophobicContact CG1-CG1 3.59Å; I63-V65 HydrophobicContact CG2-CG2 4.13Å; I63-L72 CarbonylContact C-O 3.6Å; I63-I73 HydrophobicContact CB-CG2 4.36Å; I63-I73 HydrophobicContact CG1-CG2 3.99Å; I63-I73 HydrophobicContact CG2-CG2 4.12Å; I63-I116 HydrophobicContact CD1-CG2 4.31Å; I63-L118 HydrophobicContact CD1-CB 4.43Å; I63-L118 HydrophobicContact CG1-CD1 4.15Å |
| 64 | D | 94.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112 | 171.6 | -178.1 | 9.1 | 0 | 0 | 0 | 109.5 | L66 R71 L72 K146 | D64-L66 WeakPolarHBondContact OD2-CD2 3.35Å; D64-R71 CarbonylContact O-C 3.51Å; D64-R71 WeakPolarHBondContact O-CA 3.17Å; D64-L72 HydrophobicContact CB-CB 4.28Å; D64-L72 PolarHBondContact N-O 2.86Å; D64-L72 PolarHBondContact O-N 2.89Å; D64-K146 IonicContact OD1-NZ 3.95Å; D64-K146 IonicContact OD2-NZ 2.76Å; D64-K146 PolarHBondContact OD2-NZ 2.95Å |
| 65 | V | 92.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 58% | 0.576 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 105.2 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 109 | I63 R71 | I63-V65 HydrophobicContact CG2-CG2 4.13Å; V65-R71 HydrophobicContact CB-CG 4.47Å; V65-R71 HydrophobicContact CG1-CG 4.29Å; V65-R71 HydrophobicContact CG2-CG 4.15Å |
| 66 | L | 90.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -40.3 | -176 | -56.4 | 179.2 | 0 | 0 | 0 | 112.6 | D64 V70 L72 L142 L143 K146 | D64-L66 WeakPolarHBondContact OD2-CD2 3.35Å; L66-V70 HydrophobicContact CB-CG1 4.24Å; L66-V70 HydrophobicContact CD1-CG1 4.14Å; L66-V70 PolarHBondContact N-O 2.98Å; L66-L72 HydrophobicContact CD1-CD1 3.81Å; L66-L72 HydrophobicContact CD1-CG 3.96Å; L66-L72 HydrophobicContact CD2-CD1 4.44Å; L66-L72 HydrophobicContact CG-CD1 4.44Å; L66-L142 HydrophobicContact CB-CD1 4.26Å; L66-L142 HydrophobicContact CB-CD2 3.65Å; L66-L142 HydrophobicContact CB-CG 3.9Å; L66-L142 HydrophobicContact CD1-CD2 4.44Å; L66-L142 HydrophobicContact CD1-CG 4.3Å; L66-L143 HydrophobicContact CD1-CD2 3.3Å; L66-L143 HydrophobicContact CD1-CG 4.34Å; L66-K146 HydrophobicContact CD2-CD 3.85Å |
| 67 | K | 88.3 | Confident | 94.3 | Very high | 134 Ų | 134 | 43.3 Ų | 43.3 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163.3 | 178.2 | -174.7 | 171.7 | 179.3 | 177 | 0 | 108.5 | G69 V70 L142 | K67-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact O-N 3.09Å; K67-V70 HydrophobicContact CB-CB 4.26Å; K67-V70 HydrophobicContact CB-CG2 4.41Å; K67-V70 PolarHBondContact N-O 3.02Å; K67-V70 PolarHBondContact O-N 2.74Å; K67-L142 HydrophobicContact CB-CD2 3.84Å |
| 68 | K | 86.1 | Confident | 94.2 | Very high | 175 Ų | 175 | 44.5 Ų | 44.5 | 76% | 0.761 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 121.5 | 169.1 | -172.3 | 177.7 | 179.7 | -178.2 | 0 | 109.8 | V70 | K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 2.76Å |
| 69 | G | 86.8 | Confident | 94 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 24% | 0.237 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 3.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K67 L104 D105 | K67-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact O-N 3.09Å; G69-L104 CarbonylContact O-C 3.55Å; G69-L104 WeakPolarHBondContact O-CA 3.41Å; G69-D105 PolarHBondContact O-N 2.99Å |
| 70 | V | 91.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.2 | 178.2 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | L66 K67 K68 L102 L104 L139 L142 | L66-V70 HydrophobicContact CB-CG1 4.24Å; L66-V70 HydrophobicContact CD1-CG1 4.14Å; L66-V70 PolarHBondContact N-O 2.98Å; K67-V70 HydrophobicContact CB-CB 4.26Å; K67-V70 HydrophobicContact CB-CG2 4.41Å; K67-V70 PolarHBondContact N-O 3.02Å; K67-V70 PolarHBondContact O-N 2.74Å; K68-V70 VanDerWaalsContact C-N 3.32Å; K68-V70 PolarHBondContact O-N 2.76Å; V70-L102 HydrophobicContact CG1-CD1 4.14Å; V70-L104 HydrophobicContact CB-CD2 4.42Å; V70-L104 HydrophobicContact CG1-CD2 3.98Å; V70-L104 HydrophobicContact CG2-CD2 4.08Å; V70-L139 HydrophobicContact CB-CD1 4.36Å; V70-L139 HydrophobicContact CG1-CD1 3.55Å; V70-L139 HydrophobicContact CG2-CD1 3.88Å; V70-L142 HydrophobicContact CG1-CD2 4.25Å |
| 71 | R | 93.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.8 | -179.1 | -62 | 173.2 | -72.1 | 175.4 | -2.4 | 110.5 | D64 V65 V103 P114 | D64-R71 CarbonylContact O-C 3.51Å; D64-R71 WeakPolarHBondContact O-CA 3.17Å; V65-R71 HydrophobicContact CB-CG 4.47Å; V65-R71 HydrophobicContact CG1-CG 4.29Å; V65-R71 HydrophobicContact CG2-CG 4.15Å; R71-V103 HydrophobicContact CB-CB 4.33Å; R71-V103 PolarHBondContact N-O 2.94Å; R71-V103 PolarHBondContact O-N 2.85Å; R71-P114 PolarHBondContact NH1-O 2.79Å; R71-P114 PolarHBondContact NH2-O 2.83Å |
| 72 | L | 94.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.4 | 163.3 | -72.4 | 168.9 | 0 | 0 | 0 | 107.8 | I63 D64 L66 L101 L102 L143 K146 L147 | I63-L72 CarbonylContact C-O 3.6Å; D64-L72 HydrophobicContact CB-CB 4.28Å; D64-L72 PolarHBondContact N-O 2.86Å; D64-L72 PolarHBondContact O-N 2.89Å; L66-L72 HydrophobicContact CD1-CD1 3.81Å; L66-L72 HydrophobicContact CD1-CG 3.96Å; L66-L72 HydrophobicContact CD2-CD1 4.44Å; L66-L72 HydrophobicContact CG-CD1 4.44Å; L72-L101 WeakPolarHBondContact CA-O 3.33Å; L72-L102 HydrophobicContact CD2-CB 4.16Å; L72-L102 HydrophobicContact CD2-CD1 3.74Å; L72-L102 HydrophobicContact CG-CD1 4.28Å; L72-L143 HydrophobicContact CD1-CD2 4.14Å; L72-L143 HydrophobicContact CD2-CD2 4.23Å; L72-L143 HydrophobicContact CG-CD2 4.25Å; L72-K146 HydrophobicContact CD1-CB 3.6Å; L72-K146 HydrophobicContact CD1-CD 3.92Å; L72-K146 HydrophobicContact CD1-CG 4.39Å; L72-L147 HydrophobicContact CD2-CD1 4.08Å |
| 73 | I | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.2 | 176.3 | 68.9 | 174.8 | 0 | 0 | 0 | 110 | D62 I63 L75 L101 V103 I116 | D62-I73 VanDerWaalsContact O-CA 3.3Å; D62-I73 WeakPolarHBondContact O-CA 3.35Å; I63-I73 HydrophobicContact CB-CG2 4.36Å; I63-I73 HydrophobicContact CG1-CG2 3.99Å; I63-I73 HydrophobicContact CG2-CG2 4.12Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L101 HydrophobicContact CD1-CB 4.24Å; I73-L101 HydrophobicContact CD1-CD1 4.03Å; I73-L101 HydrophobicContact CG1-CB 3.7Å; I73-L101 HydrophobicContact CG1-CD1 4.21Å; I73-L101 HydrophobicContact CG1-CG 4.35Å; I73-L101 PolarHBondContact N-O 2.79Å; I73-L101 PolarHBondContact O-N 2.96Å; I73-V103 HydrophobicContact CD1-CG2 3.73Å; I73-V103 HydrophobicContact CG1-CG2 3.9Å; I73-V103 HydrophobicContact CG2-CG2 4.11Å; I73-I116 HydrophobicContact CD1-CD1 3.58Å; I73-I116 HydrophobicContact CD1-CG2 4.31Å |
| 74 | T | 97.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.3 | 171.5 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | H61 D62 K98 V99 | H61-T74 PolarHBondContact N-O 2.87Å; D62-T74 PolarHBondContact N-O 2.82Å; D62-T74 PolarHBondContact O-N 2.77Å; T74-K98 HydrophobicContact CG2-CB 4.35Å; T74-K98 HydrophobicContact CG2-CG 4.28Å; T74-V99 WeakPolarHBondContact CA-O 3.41Å |
| 75 | L | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.2 | 170.3 | -61.5 | -172.6 | 0 | 0 | 0 | 109.9 | V56 I59 V60 I73 V77 K98 V99 L101 V124 | V56-L75 HydrophobicContact CG2-CD1 4.37Å; I59-L75 CarbonylContact O-C 3.52Å; I59-L75 WeakPolarHBondContact O-CA 3.3Å; V60-L75 HydrophobicContact CB-CD2 4.14Å; V60-L75 HydrophobicContact CG2-CD2 3.56Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; L75-V77 HydrophobicContact CB-CG2 4.13Å; L75-K98 WeakPolarHBondContact O-CA 3.45Å; L75-V99 HydrophobicContact CB-CB 4.4Å; L75-V99 PolarHBondContact N-O 3.46Å; L75-V99 PolarHBondContact O-N 2.96Å; L75-L101 HydrophobicContact CD1-CD1 3.52Å; L75-L101 HydrophobicContact CG-CD1 3.83Å; L75-V124 HydrophobicContact CD1-CG1 4.25Å; L75-V124 HydrophobicContact CD1-CG2 3.56Å |
| 76 | M | 97.4 | Very high | 93 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 115.1 | 160.8 | -78.6 | -178.5 | 144.3 | 0 | 0 | 108.8 | G58 I59 H61 D93 F96 | G58-M76 CarbonylContact C-O 3.59Å; G58-M76 WeakPolarHBondContact CA-O 3.5Å; I59-M76 PolarHBondContact N-O 3.32Å; I59-M76 PolarHBondContact O-N 2.81Å; H61-M76 HydrophobicContact CB-CG 3.85Å; H61-M76 HydrophobicContact CB-SD 4.06Å; H61-M76 PolarHBondContact CD2-SD 3.15Å; M76-D93 WeakPolarHBondContact CE-OD2 3.43Å; M76-F96 HydrophobicContact CB-CB 4.19Å; M76-F96 HydrophobicContact CB-CD1 4.43Å; M76-F96 HydrophobicContact CB-CG 4.33Å; M76-F96 HydrophobicContact CG-CB 4.34Å |
| 77 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.1 | -177.4 | 179 | 0 | 0 | 0 | 0 | 108.6 | V56 N57 L75 F82 F97 V99 | V56-V77 HydrophobicContact CB-CG2 4.38Å; V56-V77 HydrophobicContact CG2-CG2 4.29Å; N57-V77 VanDerWaalsContact O-CG1 3.29Å; N57-V77 WeakPolarHBondContact O-CG1 2.89Å; N57-V77 WeakPolarHBondContact O-CG2 3Å; L75-V77 HydrophobicContact CB-CG2 4.13Å; V77-F82 HydrophobicContact CB-CE1 4.22Å; V77-F82 HydrophobicContact CB-CE2 4.11Å; V77-F82 HydrophobicContact CB-CZ 3.79Å; V77-F82 HydrophobicContact CG1-CD1 3.95Å; V77-F82 HydrophobicContact CG1-CD2 3.67Å; V77-F82 HydrophobicContact CG1-CE1 3.68Å; V77-F82 HydrophobicContact CG1-CE2 3.38Å; V77-F82 HydrophobicContact CG1-CG 3.96Å; V77-F82 HydrophobicContact CG1-CZ 3.39Å; V77-F97 PolarHBondContact N-O 3.49Å; V77-F97 PolarHBondContact O-N 2.89Å; V77-V99 HydrophobicContact CB-CG2 4.43Å; V77-V99 HydrophobicContact CG2-CB 4.28Å; V77-V99 HydrophobicContact CG2-CG2 3.77Å |
| 78 | S | 95.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | trans | -79.9 | 164.8 | 171.2 | 51 | 0 | 0 | 0 | 0 | 110.6 | D80 G81 | S78-D80 VanDerWaalsContact C-N 3.25Å; S78-D80 WeakPolarHBondContact CB-OD1 3.1Å; S78-D80 PolarHBondContact O-N 2.92Å; S78-D80 PolarHBondContact OG-OD1 2.86Å; S78-G81 WeakPolarHBondContact O-CA 3.07Å; S78-G81 PolarHBondContact O-N 3.03Å | ||
| 79 | A | 91.7 | Very high | 93.7 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -57.5 | -35.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | G81 F97 | A79-G81 PolarHBondContact O-N 2.99Å; A79-F97 HydrophobicContact CB-CE2 4.41Å |
| 80 | D | 90.8 | Very high | 94.1 | Very high | 94 Ų | 94 | 44.8 Ų | 44.8 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -78.1 | -6.2 | 174.6 | 69.2 | -44.4 | 0 | 0 | 0 | 113.7 | S78 F82 R121 | S78-D80 VanDerWaalsContact C-N 3.25Å; S78-D80 WeakPolarHBondContact CB-OD1 3.1Å; S78-D80 PolarHBondContact O-N 2.92Å; S78-D80 PolarHBondContact OG-OD1 2.86Å; D80-F82 VanDerWaalsContact C-N 3.32Å; D80-R121 IonicContact OD2-NH2 3.1Å |
| 81 | G | 93.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -81.9 | -8.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V56 N57 S78 A79 | V56-G81 CarbonylContact C-O 3.39Å; V56-G81 VanDerWaalsContact CA-O 3.25Å; V56-G81 WeakPolarHBondContact CA-O 3.22Å; N57-G81 VanDerWaalsContact CG-CA 3.46Å; N57-G81 PolarHBondContact N-O 3.49Å; N57-G81 WeakPolarHBondContact OD1-CA 3.48Å; S78-G81 WeakPolarHBondContact O-CA 3.07Å; S78-G81 PolarHBondContact O-N 3.03Å; A79-G81 PolarHBondContact O-N 2.99Å |
| 82 | F | 95.5 | Very high | 94.2 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.4 | -178.3 | -64.6 | -81.2 | 0 | 0 | 0 | 111.9 | V56 V77 D80 M85 V90 F97 V99 | V56-F82 HydrophobicContact CB-CD1 4.39Å; V56-F82 HydrophobicContact CG1-CD1 3.46Å; V56-F82 VanDerWaalsContact CG1-CD1 3.46Å; V56-F82 HydrophobicContact CG1-CE1 3.95Å; V56-F82 HydrophobicContact CG1-CG 4.42Å; V77-F82 HydrophobicContact CB-CE1 4.22Å; V77-F82 HydrophobicContact CB-CE2 4.11Å; V77-F82 HydrophobicContact CB-CZ 3.79Å; V77-F82 HydrophobicContact CG1-CD1 3.95Å; V77-F82 HydrophobicContact CG1-CD2 3.67Å; V77-F82 HydrophobicContact CG1-CE1 3.68Å; V77-F82 HydrophobicContact CG1-CE2 3.38Å; V77-F82 HydrophobicContact CG1-CG 3.96Å; V77-F82 HydrophobicContact CG1-CZ 3.39Å; D80-F82 VanDerWaalsContact C-N 3.32Å; F82-M85 HydrophobicContact CB-CE 3.19Å; F82-M85 HydrophobicContact CB-CG 3.73Å; F82-M85 HydrophobicContact CB-SD 3.95Å; F82-M85 HydrophobicContact CD1-CE 3.93Å; F82-M85 HydrophobicContact CD1-CG 3.47Å; F82-M85 VanDerWaalsContact CD1-CG 3.47Å; F82-M85 HydrophobicContact CD1-SD 3.59Å; F82-M85 VanDerWaalsContact CD1-SD 3.59Å; F82-M85 HydrophobicContact CD2-CE 3.67Å; F82-M85 HydrophobicContact CD2-SD 4.23Å; F82-M85 HydrophobicContact CE1-CG 4.28Å; F82-M85 HydrophobicContact CE1-SD 4.06Å; F82-M85 HydrophobicContact CE2-CE 4.46Å; F82-M85 HydrophobicContact CG-CE 3.33Å; F82-M85 HydrophobicContact CG-CG 3.83Å; F82-M85 HydrophobicContact CG-SD 3.67Å; F82-V90 HydrophobicContact CE1-CG1 3.61Å; F82-V90 HydrophobicContact CZ-CG1 3.72Å; F82-F97 HydrophobicContact CE2-CB 4.01Å; F82-F97 AromaticContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CE2 4.2Å; F82-F97 AromaticContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CZ-CB 3.63Å; F82-F97 HydrophobicContact CZ-CD2 4.09Å; F82-F97 AromaticContact CZ-CG 3.91Å; F82-F97 HydrophobicContact CZ-CG 3.91Å; F82-V99 HydrophobicContact CE1-CG2 4.15Å; F82-V99 HydrophobicContact CZ-CG2 4.49Å |
| 83 | Y | 95.4 | Very high | 94 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -40.6 | 173.2 | -48.7 | -64.5 | 0 | 0 | 0 | 111.5 | A55 N57 I123 H168 A171 L172 | A55-Y83 HydrophobicContact CB-CD2 4.27Å; A55-Y83 WeakPolarHBondContact O-CA 3.35Å; A55-Y83 WeakPolarHBondContact O-CB 3.37Å; A55-Y83 PolarHBondContact O-N 2.85Å; N57-Y83 HydrophobicContact CB-CE2 3.88Å; N57-Y83 PolarHBondContact ND2-OH 3.04Å; Y83-I123 HydrophobicContact CE2-CG1 4.42Å; Y83-I123 HydrophobicContact CE2-CG2 3.96Å; Y83-H168 AromaticContact CE1-CE1 3.79Å; Y83-H168 AromaticContact CE1-ND1 3.47Å; Y83-H168 WeakPolarHBondContact CE1-ND1 3.45Å; Y83-H168 AromaticContact CZ-ND1 3.53Å; Y83-H168 PolarHBondContact OH-ND1 2.8Å; Y83-A171 HydrophobicContact CD1-CB 4.29Å; Y83-A171 HydrophobicContact CD2-CB 4.34Å; Y83-A171 HydrophobicContact CE1-CB 4.1Å; Y83-A171 HydrophobicContact CE2-CB 4.16Å; Y83-A171 HydrophobicContact CG-CB 4.39Å; Y83-L172 HydrophobicContact CD1-CD2 3.97Å; Y83-L172 HydrophobicContact CE1-CD2 4Å; Y83-L172 HydrophobicContact CE1-CG 4.28Å |
| 84 | K | 95.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 113.4 | 179.5 | -171.7 | 177.8 | -170.9 | 179.5 | 0 | 109 | Y49 S52 F54 A55 | Y49-K84 HydrophobicContact CE2-CB 3.68Å; Y49-K84 HydrophobicContact CE2-CD 4.09Å; Y49-K84 HydrophobicContact CE2-CG 4.43Å; Y49-K84 PolarHBondContact O-NZ 3.12Å; S52-K84 WeakPolarHBondContact O-CE 3.2Å; S52-K84 PolarHBondContact O-NZ 3.02Å; F54-K84 CarbonylContact C-O 3.5Å; F54-K84 VanDerWaalsContact CA-O 3.28Å; F54-K84 WeakPolarHBondContact CA-O 3.18Å; A55-K84 HydrophobicContact CB-CB 3.94Å; A55-K84 PolarHBondContact N-O 2.01Å; A55-K84 PolarHBondContact O-N 3Å |
| 85 | M | 89.3 | Confident | 93.2 | Very high | 90 Ų | 90 | 64.8 Ų | 64.8 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | trans | -96.9 | -34 | -178.1 | -61.4 | -168.2 | -138.1 | 0 | 0 | 112.9 | F82 R87 L88 | F82-M85 HydrophobicContact CB-CE 3.19Å; F82-M85 HydrophobicContact CB-CG 3.73Å; F82-M85 HydrophobicContact CB-SD 3.95Å; F82-M85 HydrophobicContact CD1-CE 3.93Å; F82-M85 HydrophobicContact CD1-CG 3.47Å; F82-M85 VanDerWaalsContact CD1-CG 3.47Å; F82-M85 HydrophobicContact CD1-SD 3.59Å; F82-M85 VanDerWaalsContact CD1-SD 3.59Å; F82-M85 HydrophobicContact CD2-CE 3.67Å; F82-M85 HydrophobicContact CD2-SD 4.23Å; F82-M85 HydrophobicContact CE1-CG 4.28Å; F82-M85 HydrophobicContact CE1-SD 4.06Å; F82-M85 HydrophobicContact CE2-CE 4.46Å; F82-M85 HydrophobicContact CG-CE 3.33Å; F82-M85 HydrophobicContact CG-CG 3.83Å; F82-M85 HydrophobicContact CG-SD 3.67Å; M85-R87 PolarHBondContact O-N 3.4Å; M85-L88 WeakPolarHBondContact O-CB 3.34Å; M85-L88 PolarHBondContact O-N 3.21Å | ||
| 86 | S | 89.9 | Confident | 93 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | -109.5 | -172.9 | -58.4 | 0 | 0 | 0 | 0 | 112 | E53 | E53-S86 WeakPolarHBondContact O-CB 3.23Å; E53-S86 PolarHBondContact O-OG 3.28Å |
| 87 | R | 91.4 | Very high | 92.9 | Very high | 201 Ų | 201 | 70.3 Ų | 70.3 | 76% | 0.758 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 23.3 | 178.2 | -59.9 | -179.6 | 67.1 | -177.1 | 3 | 112.8 | M85 Y89 I128 | M85-R87 PolarHBondContact O-N 3.4Å; R87-Y89 PolarHBondContact O-N 3.06Å; R87-I128 HydrophobicContact CB-CD1 4.16Å |
| 88 | L | 94.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | trans | -63.8 | 128.7 | 179.8 | -175.2 | 70.9 | 0 | 0 | 0 | 109.4 | F54 V56 M85 V90 V99 I128 G150 | F54-L88 HydrophobicContact CB-CB 4.29Å; F54-L88 HydrophobicContact CB-CD1 4.38Å; F54-L88 HydrophobicContact CB-CD2 4.12Å; F54-L88 HydrophobicContact CD1-CD1 4.23Å; F54-L88 HydrophobicContact CD2-CD1 4.24Å; F54-L88 HydrophobicContact CD2-CD2 3.84Å; F54-L88 HydrophobicContact CG-CD1 4.02Å; F54-L88 HydrophobicContact CG-CD2 4.12Å; V56-L88 HydrophobicContact CG1-CD2 4.04Å; M85-L88 WeakPolarHBondContact O-CB 3.34Å; M85-L88 PolarHBondContact O-N 3.21Å; L88-V90 PolarHBondContact O-N 3.18Å; L88-V99 HydrophobicContact CD1-CG1 4.25Å; L88-V99 HydrophobicContact CD2-CG1 3.79Å; L88-V99 HydrophobicContact CD2-CG2 4.22Å; L88-V99 HydrophobicContact CG-CG1 4.23Å; L88-I128 HydrophobicContact CB-CD1 4.47Å; L88-G150 WeakPolarHBondContact CA-O 3.43Å | ||
| 89 | Y | 94.1 | Very high | 93 | Very high | 118 Ų | 118 | 72.4 Ų | 72.4 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | trans | -73.4 | 124.2 | 176.6 | -167.4 | -110.4 | 0 | 0 | 0 | 109.8 | R87 G150 | R87-Y89 PolarHBondContact O-N 3.06Å; Y89-G150 PolarHBondContact N-O 2.77Å | ||
| 90 | V | 94.2 | Very high | 93.2 | Very high | 46 Ų | 46 | 72.3 Ų | 72.3 | 28% | 0.279 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.7 | -179.9 | -85.9 | 0 | 0 | 0 | 0 | 108.4 | F82 L88 V99 | F82-V90 HydrophobicContact CE1-CG1 3.61Å; F82-V90 HydrophobicContact CZ-CG1 3.72Å; L88-V90 PolarHBondContact O-N 3.18Å; V90-V99 HydrophobicContact CG1-CG2 3.57Å |
| 91 | T | 93.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120 | 173.9 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | F97 K98 | T91-F97 CarbonylContact O-C 3.55Å; T91-K98 PolarHBondContact N-O 2.86Å; T91-K98 PolarHBondContact O-N 2Å |
| 92 | P | 93.1 | Very high | 93.5 | Very high | 97 Ų | 97 | 67.9 Ų | 67.9 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 140.3 | 175.8 | 28 | -33.5 | 0 | 0 | 0 | 110.2 | F97 | P92-F97 HydrophobicContact CB-CD1 4.27Å; P92-F97 HydrophobicContact CB-CE1 4.27Å |
| 93 | D | 90.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 85.2 | -177.1 | -171.2 | 47.1 | 0 | 0 | 0 | 109.8 | M76 F95 F96 K98 | M76-D93 WeakPolarHBondContact CE-OD2 3.43Å; D93-F95 PolarHBondContact O-N 2.82Å; D93-F96 CarbonylContact C-O 3.54Å; D93-F96 WeakPolarHBondContact CA-O 3.48Å; D93-F96 PolarHBondContact N-O 2.96Å; D93-F96 PolarHBondContact O-N 3.34Å; D93-F96 VanDerWaalsContact O-O 3.07Å; D93-K98 HydrophobicContact CB-CD 3.84Å; D93-K98 HydrophobicContact CB-CG 3.88Å; D93-K98 IonicContact OD1-NZ 3.9Å; D93-K98 PolarHBondContact OD1-NZ 3.29Å; D93-K98 WeakPolarHBondContact OD2-CE 3.38Å; D93-K98 IonicContact OD2-NZ 2.89Å; D93-K98 PolarHBondContact OD2-NZ 3.09Å |
| 94 | S | 88.1 | Confident | 93.2 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 76% | 0.755 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -109.5 | -173.3 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 95 | F | 87.9 | Confident | 93 | Very high | 176 Ų | 176 | 65.3 Ų | 65.3 | 77% | 0.772 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.3 | 179.8 | -58 | -75.6 | 0 | 0 | 0 | 114.6 | D93 | D93-F95 PolarHBondContact O-N 2.82Š|
| 96 | F | 94.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 165.4 | -177.4 | -62.5 | -78.7 | 0 | 0 | 0 | 110.9 | M76 D93 | M76-F96 HydrophobicContact CB-CB 4.19Å; M76-F96 HydrophobicContact CB-CD1 4.43Å; M76-F96 HydrophobicContact CB-CG 4.33Å; M76-F96 HydrophobicContact CG-CB 4.34Å; D93-F96 CarbonylContact C-O 3.54Å; D93-F96 WeakPolarHBondContact CA-O 3.48Å; D93-F96 PolarHBondContact N-O 2.96Å; D93-F96 PolarHBondContact O-N 3.34Å; D93-F96 VanDerWaalsContact O-O 3.07Å |
| 97 | F | 95.8 | Very high | 92.5 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.6 | 171 | -62 | -89.7 | 0 | 0 | 0 | 108.7 | V77 A79 F82 T91 P92 | V77-F97 PolarHBondContact N-O 3.49Å; V77-F97 PolarHBondContact O-N 2.89Å; A79-F97 HydrophobicContact CB-CE2 4.41Å; F82-F97 HydrophobicContact CE2-CB 4.01Å; F82-F97 AromaticContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CD2 3.57Å; F82-F97 HydrophobicContact CE2-CE2 4.2Å; F82-F97 AromaticContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CE2-CG 3.87Å; F82-F97 HydrophobicContact CZ-CB 3.63Å; F82-F97 HydrophobicContact CZ-CD2 4.09Å; F82-F97 AromaticContact CZ-CG 3.91Å; F82-F97 HydrophobicContact CZ-CG 3.91Å; T91-F97 CarbonylContact O-C 3.55Å; P92-F97 HydrophobicContact CB-CD1 4.27Å; P92-F97 HydrophobicContact CB-CE1 4.27Å |
| 98 | K | 96 | Very high | 92.1 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.4 | 173.2 | -76.4 | 170.4 | 166.7 | 146.2 | 0 | 109.4 | T74 L75 T91 D93 | T74-K98 HydrophobicContact CG2-CB 4.35Å; T74-K98 HydrophobicContact CG2-CG 4.28Å; L75-K98 WeakPolarHBondContact O-CA 3.45Å; T91-K98 PolarHBondContact N-O 2.86Å; T91-K98 PolarHBondContact O-N 2Å; D93-K98 HydrophobicContact CB-CD 3.84Å; D93-K98 HydrophobicContact CB-CG 3.88Å; D93-K98 IonicContact OD1-NZ 3.9Å; D93-K98 PolarHBondContact OD1-NZ 3.29Å; D93-K98 WeakPolarHBondContact OD2-CE 3.38Å; D93-K98 IonicContact OD2-NZ 2.89Å; D93-K98 PolarHBondContact OD2-NZ 3.09Å |
| 99 | V | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.7 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | T74 L75 V77 F82 L88 V90 L101 | T74-V99 WeakPolarHBondContact CA-O 3.41Å; L75-V99 HydrophobicContact CB-CB 4.4Å; L75-V99 PolarHBondContact N-O 3.46Å; L75-V99 PolarHBondContact O-N 2.96Å; V77-V99 HydrophobicContact CB-CG2 4.43Å; V77-V99 HydrophobicContact CG2-CB 4.28Å; V77-V99 HydrophobicContact CG2-CG2 3.77Å; F82-V99 HydrophobicContact CE1-CG2 4.15Å; F82-V99 HydrophobicContact CZ-CG2 4.49Å; L88-V99 HydrophobicContact CD1-CG1 4.25Å; L88-V99 HydrophobicContact CD2-CG1 3.79Å; L88-V99 HydrophobicContact CD2-CG2 4.22Å; L88-V99 HydrophobicContact CG-CG1 4.23Å; V90-V99 HydrophobicContact CG1-CG2 3.57Å; V99-L101 HydrophobicContact CG1-CD2 3.58Å; V99-L101 HydrophobicContact CG1-CG 3.99Å |
| 100 | R | 96.1 | Very high | 90.9 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.4 | 178.5 | -59.9 | -177.4 | 74.3 | -116.2 | 5.4 | 110 | K146 D151 G152 | R100-K146 PolarHBondContact NH1-O 3.12Å; R100-K146 PolarHBondContact NH2-O 2.95Å; R100-D151 IonicContact NH1-OD2 2.82Å; R100-D151 PolarHBondContact NH1-OD2 3.35Å; R100-G152 PolarHBondContact O-N 3.36Å |
| 101 | L | 96.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130 | -175.5 | -50.9 | 173.5 | 0 | 0 | 0 | 110.9 | F54 L72 I73 L75 V99 V124 G152 L154 | F54-L101 HydrophobicContact CE1-CD2 4.44Å; F54-L101 HydrophobicContact CE2-CD2 3.78Å; F54-L101 HydrophobicContact CZ-CD2 3.59Å; L72-L101 WeakPolarHBondContact CA-O 3.33Å; I73-L101 HydrophobicContact CD1-CB 4.24Å; I73-L101 HydrophobicContact CD1-CD1 4.03Å; I73-L101 HydrophobicContact CG1-CB 3.7Å; I73-L101 HydrophobicContact CG1-CD1 4.21Å; I73-L101 HydrophobicContact CG1-CG 4.35Å; I73-L101 PolarHBondContact N-O 2.79Å; I73-L101 PolarHBondContact O-N 2.96Å; L75-L101 HydrophobicContact CD1-CD1 3.52Å; L75-L101 HydrophobicContact CG-CD1 3.83Å; V99-L101 HydrophobicContact CG1-CD2 3.58Å; V99-L101 HydrophobicContact CG1-CG 3.99Å; L101-V124 HydrophobicContact CD1-CG2 3.97Å; L101-G152 CarbonylContact C-O 3.35Å; L101-G152 VanDerWaalsContact CA-O 3.3Å; L101-G152 WeakPolarHBondContact CA-O 3.3Å; L101-G152 VanDerWaalsContact CD2-CA 3.47Å; L101-L154 HydrophobicContact CB-CD1 4.35Å; L101-L154 HydrophobicContact CD1-CD1 3.87Å |
| 102 | L | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.7 | 165.4 | -177.7 | 69.3 | 0 | 0 | 0 | 109.6 | V70 L72 L104 L135 L143 L147 G152 L153 L154 | V70-L102 HydrophobicContact CG1-CD1 4.14Å; L72-L102 HydrophobicContact CD2-CB 4.16Å; L72-L102 HydrophobicContact CD2-CD1 3.74Å; L72-L102 HydrophobicContact CG-CD1 4.28Å; L102-L104 HydrophobicContact CD1-CD2 4.14Å; L102-L104 HydrophobicContact CD2-CD1 4.05Å; L102-L104 HydrophobicContact CD2-CD2 3.85Å; L102-L104 HydrophobicContact CD2-CG 3.95Å; L102-L104 HydrophobicContact CG-CD2 3.89Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L102-L135 HydrophobicContact CD2-CD1 4.37Å; L102-L143 HydrophobicContact CD1-CD1 3.99Å; L102-L143 HydrophobicContact CD1-CD2 3.63Å; L102-L143 HydrophobicContact CD1-CG 4.46Å; L102-L143 HydrophobicContact CD2-CD1 3.78Å; L102-L147 HydrophobicContact CB-CD1 3.97Å; L102-L147 HydrophobicContact CB-CD2 4.34Å; L102-L147 HydrophobicContact CD2-CD2 3.89Å; L102-G152 PolarHBondContact N-O 2.77Å; L102-L153 HydrophobicContact CB-CD1 4.04Å; L102-L153 HydrophobicContact CD2-CD1 3.63Å; L102-L153 HydrophobicContact CG-CD1 4.05Å; L102-L154 PolarHBondContact O-N 2.9Å |
| 103 | V | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117 | 176 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | R71 I73 P114 I116 L154 | R71-V103 HydrophobicContact CB-CB 4.33Å; R71-V103 PolarHBondContact N-O 2.94Å; R71-V103 PolarHBondContact O-N 2.85Å; I73-V103 HydrophobicContact CD1-CG2 3.73Å; I73-V103 HydrophobicContact CG1-CG2 3.9Å; I73-V103 HydrophobicContact CG2-CG2 4.11Å; V103-P114 HydrophobicContact CG1-CG 3.88Å; V103-I116 HydrophobicContact CG1-CD1 4.44Å; V103-I116 HydrophobicContact CG2-CD1 4.04Å; V103-L154 CarbonylContact C-O 3.57Å; V103-L154 WeakPolarHBondContact CA-O 3.29Å; V103-L154 HydrophobicContact CG2-CB 4.28Å; V103-L154 HydrophobicContact CG2-CD1 4.14Å |
| 104 | L | 91.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.8 | 177.5 | -58.1 | -179.3 | 0 | 0 | 0 | 109.9 | G69 V70 L102 T106 L135 L139 L153 L154 R155 S156 | G69-L104 CarbonylContact O-C 3.55Å; G69-L104 WeakPolarHBondContact O-CA 3.41Å; V70-L104 HydrophobicContact CB-CD2 4.42Å; V70-L104 HydrophobicContact CG1-CD2 3.98Å; V70-L104 HydrophobicContact CG2-CD2 4.08Å; L102-L104 HydrophobicContact CD1-CD2 4.14Å; L102-L104 HydrophobicContact CD2-CD1 4.05Å; L102-L104 HydrophobicContact CD2-CD2 3.85Å; L102-L104 HydrophobicContact CD2-CG 3.95Å; L102-L104 HydrophobicContact CG-CD2 3.89Å; L102-L104 HydrophobicContact CG-CG 4.04Å; L104-T106 PolarHBondContact O-N 3.07Å; L104-T106 VanDerWaalsContact O-N 3.15Å; L104-L135 HydrophobicContact CD1-CD2 4.27Å; L104-L139 HydrophobicContact CD1-CD2 4Å; L104-L139 HydrophobicContact CD2-CD1 4.3Å; L104-L139 HydrophobicContact CD2-CD2 3.78Å; L104-L153 HydrophobicContact CD1-CD1 3.9Å; L104-L153 HydrophobicContact CG-CD1 4.21Å; L104-L154 PolarHBondContact N-O 3.2Å; L104-R155 WeakPolarHBondContact O-CA 3.47Å; L104-S156 PolarHBondContact O-N 3Å |
| 105 | D | 89.3 | Confident | 89.6 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | trans | -78.5 | 95.5 | 169.6 | -166.2 | -16.5 | 0 | 0 | 0 | 109.2 | G69 F107 K108 C113 S156 | G69-D105 PolarHBondContact O-N 2.99Å; D105-F107 PolarHBondContact OD1-N 3.41Å; D105-K108 PolarHBondContact OD1-N 3.05Å; D105-C113 WeakPolarHBondContact CB-O 3.47Å; D105-C113 PolarHBondContact OD2-N 3.3Å; D105-C113 VanDerWaalsContact OD2-N 3.14Å; D105-S156 WeakPolarHBondContact CA-OG 3.46Å; D105-S156 PolarHBondContact OD1-OG 2.85Å | ||
| 106 | T | 86.3 | Confident | 89.8 | Confident | 64 Ų | 64 | 47 Ų | 47 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -80.5 | -23.3 | -179.3 | 52 | 0 | 0 | 0 | 0 | 112.8 | L104 R155 S156 | L104-T106 PolarHBondContact O-N 3.07Å; L104-T106 VanDerWaalsContact O-N 3.15Å; T106-R155 HydrophobicContact CG2-CB 3.83Å; T106-R155 HydrophobicContact CG2-CG 3.84Å; T106-S156 PolarHBondContact N-OG 3.38Å; T106-S156 WeakPolarHBondContact OG1-CB 3.14Å; T106-S156 PolarHBondContact OG1-N 3.23Å; T106-S156 PolarHBondContact OG1-OG 3.05Å |
| 107 | F | 83.9 | Confident | 89.9 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 23% | 0.228 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -86.5 | -12 | 179.3 | -58.4 | -35.1 | 0 | 0 | 0 | 112.1 | H31 C35 E38 D105 C109 S156 | H31-F107 PolarHBondContact CE1-O 2.94Å; H31-F107 PolarHBondContact NE2-O 2.83Å; C35-F107 HydrophobicContact CB-CB 4.32Å; C35-F107 VanDerWaalsContact SG-C 3.52Å; C35-F107 WeakPolarHBondContact SG-CB 3.46Å; C35-F107 PolarHBondContact SG-O 2.79Å; E38-F107 HydrophobicContact CB-CD2 4.49Å; E38-F107 HydrophobicContact CB-CE2 3.87Å; E38-F107 HydrophobicContact CB-CZ 4.23Å; D105-F107 PolarHBondContact OD1-N 3.41Å; F107-C109 VanDerWaalsContact C-N 3.31Å; F107-C109 PolarHBondContact O-N 2.72Å; F107-S156 PolarHBondContact N-OG 3.1Å |
| 108 | K | 82.2 | Confident | 89.9 | Confident | 168 Ų | 168 | 50 Ų | 50 | 73% | 0.73 | 25% | 0.249 | S | C | * | . | trans | 56 | 43.6 | 176.7 | -57 | 179 | -180 | 175.9 | 0 | 112.3 | D105 | D105-K108 PolarHBondContact OD1-N 3.05Š| ||
| 109 | C | 81.3 | Confident | 90 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | trans | -61.6 | 157.9 | 177.9 | -67 | 0 | 0 | 0 | 0 | 111.1 | C35 M36 F107 K111 C113 | C35-C109 HydrophobicContact CB-CB 4.09Å; C35-C109 WeakPolarHBondContact CB-SG 3.15Å; C35-C109 WeakPolarHBondContact SG-CA 3.14Å; C35-C109 WeakPolarHBondContact SG-CB 3.18Å; C35-C109 PolarHBondContact SG-N 3.02Å; C35-C109 CovalentContact SG-SG 2Å; C35-C109 PolarHBondContact SG-SG 2.51Å; M36-C109 HydrophobicContact SD-CB 4.24Å; F107-C109 VanDerWaalsContact C-N 3.31Å; F107-C109 PolarHBondContact O-N 2.72Å; C109-K111 WeakPolarHBondContact CB-O 3.4Å; C109-K111 PolarHBondContact O-N 2.94Å; C109-C113 HydrophobicContact CB-CB 4.35Å | ||
| 110 | S | 82.3 | Confident | 90 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -60.4 | -39.1 | 168.6 | 72.5 | 0 | 0 | 0 | 0 | 111 | D32 | D32-S110 VanDerWaalsContact OD1-CB 3.24Å; D32-S110 WeakPolarHBondContact OD1-CB 3.3Å; D32-S110 PolarHBondContact OD1-N 2.82Å; D32-S110 PolarHBondContact OD1-OG 3.26Å; D32-S110 WeakPolarHBondContact OD2-CB 3.46Å; D32-S110 PolarHBondContact OD2-OG 3.36Å |
| 111 | K | 83.9 | Confident | 90 | Very high | 124 Ų | 124 | 50.3 Ų | 50.3 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -100.6 | 149 | 176.6 | -67.3 | 176.9 | -174.8 | 172.8 | 0 | 110.9 | M36 C109 C113 | M36-K111 HydrophobicContact CE-CB 4.27Å; M36-K111 HydrophobicContact CE-CD 4.05Å; M36-K111 HydrophobicContact SD-CB 3.94Å; C109-K111 WeakPolarHBondContact CB-O 3.4Å; C109-K111 PolarHBondContact O-N 2.94Å; K111-C113 PolarHBondContact O-N 2.74Å; K111-C113 VanDerWaalsContact O-N 3.12Å |
| 112 | P | 83.6 | Confident | 90.1 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | trans | -60.4 | 118.9 | -177.6 | 23.9 | -33.5 | 0 | 0 | 0 | 111.8 | P114 D115 | P112-P114 CarbonylContact O-C 3.59Å; P112-D115 PolarHBondContact O-N 2.83Å | ||
| 113 | C | 85.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -112.8 | 127.1 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 111 | C39 D105 C109 K111 S156 | C39-C113 HydrophobicContact CB-CB 3.92Å; C39-C113 WeakPolarHBondContact CB-SG 3.37Å; C39-C113 VanDerWaalsContact SG-CA 3.55Å; C39-C113 WeakPolarHBondContact SG-CB 3.48Å; C39-C113 CovalentContact SG-SG 2.01Å; C39-C113 PolarHBondContact SG-SG 3.39Å; D105-C113 WeakPolarHBondContact CB-O 3.47Å; D105-C113 PolarHBondContact OD2-N 3.3Å; D105-C113 VanDerWaalsContact OD2-N 3.14Å; C109-C113 HydrophobicContact CB-CB 4.35Å; K111-C113 PolarHBondContact O-N 2.74Å; K111-C113 VanDerWaalsContact O-N 3.12Å; C113-S156 VanDerWaalsContact SG-CB 3.59Å |
| 114 | P | 89.1 | Confident | 90.3 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 7% | 0.065 | 27% | 0.27 | C | S | . | . | S | Bend | cis | -70.2 | 149.4 | -8.8 | 26.8 | -34.3 | 0 | 0 | 0 | 113.8 | R71 V103 P112 I116 V160 | R71-P114 PolarHBondContact NH1-O 2.79Å; R71-P114 PolarHBondContact NH2-O 2.83Å; V103-P114 HydrophobicContact CG1-CG 3.88Å; P112-P114 CarbonylContact O-C 3.59Å; P114-I116 HydrophobicContact CB-CG1 4.29Å; P114-I116 HydrophobicContact CG-CD1 3.96Å; P114-I116 HydrophobicContact CG-CG1 4.14Å; P114-I116 PolarHBondContact O-N 2.93Å; P114-V160 HydrophobicContact CB-CB 3.89Å; P114-V160 HydrophobicContact CB-CG1 3.82Å; P114-V160 HydrophobicContact CB-CG2 4.37Å; P114-V160 HydrophobicContact CG-CB 4.08Å; P114-V160 HydrophobicContact CG-CG1 4.03Å; P114-V160 HydrophobicContact CG-CG2 4.01Å |
| 115 | D | 89.7 | Confident | 90.6 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | trans | -78.7 | 84.7 | 178.3 | -177.9 | 21.8 | 0 | 0 | 0 | 111.4 | P112 K117 Y122 | P112-D115 PolarHBondContact O-N 2.83Å; D115-K117 WeakPolarHBondContact OD2-CE 3.38Å; D115-Y122 PolarHBondContact O-OH 3.24Å | ||
| 116 | I | 93.6 | Very high | 90.9 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | trans | -95.2 | 126.3 | 179.4 | -59 | 179.6 | 0 | 0 | 0 | 109 | V60 I63 I73 V103 P114 Y122 V160 | V60-I116 HydrophobicContact CB-CG2 4.4Å; V60-I116 HydrophobicContact CG1-CG2 4.08Å; V60-I116 HydrophobicContact CG2-CG2 3.5Å; V60-I116 VanDerWaalsContact CG2-CG2 3.5Å; I63-I116 HydrophobicContact CD1-CG2 4.31Å; I73-I116 HydrophobicContact CD1-CD1 3.58Å; I73-I116 HydrophobicContact CD1-CG2 4.31Å; V103-I116 HydrophobicContact CG1-CD1 4.44Å; V103-I116 HydrophobicContact CG2-CD1 4.04Å; P114-I116 HydrophobicContact CB-CG1 4.29Å; P114-I116 HydrophobicContact CG-CD1 3.96Å; P114-I116 HydrophobicContact CG-CG1 4.14Å; P114-I116 PolarHBondContact O-N 2.93Å; I116-Y122 HydrophobicContact CG2-CE2 4.26Å; I116-V160 HydrophobicContact CD1-CG1 4.02Å; I116-V160 HydrophobicContact CG1-CG1 3.97Å | ||
| 117 | K | 95.3 | Very high | 91.4 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | trans | -113.5 | 140.9 | 178.9 | -53.5 | -163.4 | -168.2 | -179.1 | 0 | 110.8 | V60 D115 A120 Y122 R162 | V60-K117 WeakPolarHBondContact CB-O 3.33Å; D115-K117 WeakPolarHBondContact OD2-CE 3.38Å; K117-A120 HydrophobicContact CB-CB 4.48Å; K117-A120 PolarHBondContact O-N 2.79Å; K117-Y122 PolarHBondContact N-OH 3.13Å; K117-Y122 VanDerWaalsContact N-OH 3.1Å; K117-R162 VanDerWaalsContact CG-NH2 3.34Å | ||
| 118 | L | 96.7 | Very high | 91.9 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 58% | 0.576 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 143.4 | 173.5 | -160.5 | 72.1 | 0 | 0 | 0 | 110.7 | V60 H61 I63 A120 | V60-L118 HydrophobicContact CG1-CD1 4.29Å; H61-L118 VanDerWaalsContact O-CD1 3.29Å; H61-L118 WeakPolarHBondContact O-CD1 3.3Å; I63-L118 HydrophobicContact CD1-CB 4.43Å; I63-L118 HydrophobicContact CG1-CD1 4.15Å; L118-A120 PolarHBondContact O-N 3.43Å |
| 119 | G | 96.7 | Very high | 92.3 | Very high | 56 Ų | 56 | 37.6 Ų | 37.6 | 58% | 0.577 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V60 | V60-G119 WeakPolarHBondContact O-CA 3.44Å; V60-G119 PolarHBondContact O-N 3.38Å |
| 120 | A | 97.2 | Very high | 92.7 | Very high | 16 Ų | 16 | 40 Ų | 40 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | trans | -87.6 | 146.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V60 K117 L118 Y122 | V60-A120 PolarHBondContact N-O 3.02Å; K117-A120 HydrophobicContact CB-CB 4.48Å; K117-A120 PolarHBondContact O-N 2.79Å; L118-A120 PolarHBondContact O-N 3.43Å; A120-Y122 HydrophobicContact CB-CD2 4.26Å; A120-Y122 HydrophobicContact CB-CE2 3.56Å; A120-Y122 WeakPolarHBondContact O-CD2 3.42Å | ||
| 121 | R | 97.2 | Very high | 92.5 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.9 | 175.8 | -162.8 | 177.8 | -172.8 | 175.9 | 2.7 | 110.7 | N57 G58 I59 D80 F163 | N57-R121 PolarHBondContact OD1-NE 2.97Å; N57-R121 PolarHBondContact OD1-NH2 3.05Å; G58-R121 CarbonylContact O-C 3.51Å; G58-R121 VanDerWaalsContact O-CA 3.3Å; G58-R121 WeakPolarHBondContact O-CA 3.38Å; I59-R121 HydrophobicContact CG1-CB 4.02Å; I59-R121 HydrophobicContact CG1-CG 4.06Å; D80-R121 IonicContact OD2-NH2 3.1Å; R121-F163 HydrophobicContact CB-CB 3.85Å; R121-F163 HydrophobicContact CB-CG 4.49Å; R121-F163 HydrophobicContact CG-CB 3.76Å; R121-F163 HydrophobicContact CG-CD2 4.35Å; R121-F163 HydrophobicContact CG-CG 4.05Å; R121-F163 WeakPolarHBondContact O-CB 3.47Å; R121-F163 PolarHBondContact O-N 3.26Å |
| 122 | Y | 97.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 155.2 | 179.1 | -72.5 | -99.7 | 0 | 0 | 0 | 111.1 | N57 G58 V60 D115 I116 K117 A120 V160 K161 R162 | N57-Y122 CarbonylContact C-O 3.52Å; N57-Y122 WeakPolarHBondContact CA-O 3.36Å; G58-Y122 PolarHBondContact N-O 3.4Å; G58-Y122 PolarHBondContact O-N 3.41Å; V60-Y122 HydrophobicContact CG2-CD2 3.7Å; V60-Y122 HydrophobicContact CG2-CE2 3.99Å; D115-Y122 PolarHBondContact O-OH 3.24Å; I116-Y122 HydrophobicContact CG2-CE2 4.26Å; K117-Y122 PolarHBondContact N-OH 3.13Å; K117-Y122 VanDerWaalsContact N-OH 3.1Å; A120-Y122 HydrophobicContact CB-CD2 4.26Å; A120-Y122 HydrophobicContact CB-CE2 3.56Å; A120-Y122 WeakPolarHBondContact O-CD2 3.42Å; Y122-V160 HydrophobicContact CD1-CG1 4.1Å; Y122-K161 CarbonylContact C-O 3.41Å; Y122-K161 WeakPolarHBondContact CA-O 3.37Å; Y122-K161 WeakPolarHBondContact CD1-O 3.11Å; Y122-R162 HydrophobicContact CD1-CG 4.07Å; Y122-R162 HydrophobicContact CE1-CB 4.47Å; Y122-R162 HydrophobicContact CE1-CG 3.53Å; Y122-R162 PolarHBondContact OH-NH2 3.17Å |
| 123 | I | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122 | 160.8 | -62.8 | 172 | 0 | 0 | 0 | 106.1 | V56 N57 Y83 M125 Y159 K161 F163 R167 H168 | V56-I123 WeakPolarHBondContact O-CA 3.25Å; N57-I123 HydrophobicContact CB-CG1 3.9Å; Y83-I123 HydrophobicContact CE2-CG1 4.42Å; Y83-I123 HydrophobicContact CE2-CG2 3.96Å; I123-M125 HydrophobicContact CG2-CE 3.81Å; I123-M125 HydrophobicContact CG2-CG 4.5Å; I123-Y159 HydrophobicContact CB-CE1 4.15Å; I123-Y159 HydrophobicContact CG2-CD1 4.19Å; I123-Y159 HydrophobicContact CG2-CE1 3.81Å; I123-K161 PolarHBondContact N-O 2.74Å; I123-K161 PolarHBondContact O-N 3.06Å; I123-F163 HydrophobicContact CD1-CD2 4.12Å; I123-F163 HydrophobicContact CG1-CD2 3.99Å; I123-R167 HydrophobicContact CD1-CB 3.78Å; I123-H168 HydrophobicContact CD1-CB 4.41Å |
| 124 | V | 97.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.8 | -179.5 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | F54 A55 V56 L75 L101 L154 Y159 V160 | F54-V124 HydrophobicContact CE2-CG2 4.04Å; A55-V124 CarbonylContact C-O 3.59Å; A55-V124 WeakPolarHBondContact CA-O 3.35Å; V56-V124 HydrophobicContact CG2-CG2 3.43Å; V56-V124 VanDerWaalsContact CG2-CG2 3.43Å; V56-V124 PolarHBondContact N-O 3.28Å; V56-V124 PolarHBondContact O-N 3.3Å; V56-V124 VanDerWaalsContact O-O 3.13Å; L75-V124 HydrophobicContact CD1-CG1 4.25Å; L75-V124 HydrophobicContact CD1-CG2 3.56Å; L101-V124 HydrophobicContact CD1-CG2 3.97Å; V124-L154 HydrophobicContact CB-CD1 4.27Å; V124-L154 HydrophobicContact CB-CD2 4.46Å; V124-L154 HydrophobicContact CG1-CD1 4.19Å; V124-Y159 CarbonylContact C-O 3.53Å; V124-Y159 VanDerWaalsContact CA-O 3.3Å; V124-Y159 WeakPolarHBondContact CA-O 3.28Å; V124-V160 HydrophobicContact CG1-CG1 4.14Å; V124-V160 HydrophobicContact CG1-CG2 4.23Å |
| 125 | M | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.4 | 173.1 | -37.9 | 179.6 | 179.5 | 0 | 0 | 108.5 | E45 S52 F54 A55 I123 N158 Y159 A171 | E45-M125 HydrophobicContact CB-CE 4.48Å; S52-M125 VanDerWaalsContact OG-CB 3.3Å; S52-M125 WeakPolarHBondContact OG-CB 3.26Å; F54-M125 CarbonylContact O-C 3.59Å; F54-M125 VanDerWaalsContact O-CA 3.26Å; F54-M125 WeakPolarHBondContact O-CA 3.39Å; A55-M125 HydrophobicContact CB-CB 4.05Å; A55-M125 HydrophobicContact CB-CG 3.71Å; A55-M125 HydrophobicContact CB-SD 4.23Å; I123-M125 HydrophobicContact CG2-CE 3.81Å; I123-M125 HydrophobicContact CG2-CG 4.5Å; M125-N158 WeakPolarHBondContact O-CB 3.31Å; M125-Y159 HydrophobicContact CE-CD1 4.23Å; M125-Y159 HydrophobicContact CE-CE1 4.3Å; M125-Y159 HydrophobicContact CG-CD1 3.98Å; M125-Y159 HydrophobicContact CG-CG 4.17Å; M125-Y159 PolarHBondContact N-O 2.86Å; M125-Y159 PolarHBondContact O-N 3.45Å; M125-Y159 HydrophobicContact SD-CD1 4.28Å; M125-Y159 HydrophobicContact SD-CG 4.18Å; M125-A171 HydrophobicContact CE-CB 4.03Å |
| 126 | G | 96 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -160.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S52 E53 F54 | S52-G126 CarbonylContact C-O 3.55Å; S52-G126 WeakPolarHBondContact CA-O 3.37Å; S52-G126 WeakPolarHBondContact CB-O 3.47Å; S52-G126 PolarHBondContact OG-N 3.03Å; E53-G126 PolarHBondContact N-O 2.75Å; F54-G126 WeakPolarHBondContact CD1-O 3.4Å; F54-G126 VanDerWaalsContact CE1-CA 3.49Å; F54-G126 PolarHBondContact N-O 2.9Å; F54-G126 VanDerWaalsContact N-O 3.14Å; F54-G126 PolarHBondContact O-N 3.49Å |
| 127 | Q | 95.2 | Very high | 88.5 | Confident | 26 Ų | 26 | 68 Ų | 68 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 156.6 | -174.8 | -60.5 | -64.6 | -49.7 | 0 | 0 | 110.6 | Y51 E53 F54 L153 | Y51-Q127 PolarHBondContact O-NE2 3.48Å; E53-Q127 PolarHBondContact OE2-OE1 3.46Å; F54-Q127 WeakPolarHBondContact CD1-O 3.34Å; F54-Q127 WeakPolarHBondContact CE1-O 3.25Å; Q127-L153 HydrophobicContact CB-CB 4.47Å; Q127-L153 PolarHBondContact N-O 3Å; Q127-L153 WeakPolarHBondContact O-CA 3.37Å; Q127-L153 WeakPolarHBondContact O-CB 3.5Å; Q127-L153 PolarHBondContact O-N 2.9Å |
| 128 | I | 94.5 | Very high | 87.8 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137 | 175 | -65.6 | 169 | 0 | 0 | 0 | 108.3 | E53 F54 R87 L88 H130 | E53-I128 HydrophobicContact CB-CB 4.46Å; E53-I128 HydrophobicContact CB-CD1 4.01Å; E53-I128 HydrophobicContact CB-CG1 3.9Å; E53-I128 PolarHBondContact OE2-N 2.82Å; F54-I128 HydrophobicContact CB-CG1 4.45Å; F54-I128 HydrophobicContact CD1-CG1 4.18Å; R87-I128 HydrophobicContact CB-CD1 4.16Å; L88-I128 HydrophobicContact CB-CD1 4.47Å; I128-H130 PolarHBondContact O-CD2 3.45Å; I128-H130 PolarHBondContact O-N 3.3Å |
| 129 | Y | 91.8 | Very high | 87 | Confident | 22 Ų | 22 | 65 Ų | 65 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | trans | -73 | 117.3 | 173.1 | 178.1 | -115.6 | 0 | 0 | 0 | 109.6 | L135 L147 P149 G150 D151 | Y129-L135 HydrophobicContact CD2-CD1 4.08Å; Y129-L135 HydrophobicContact CE2-CD1 3.33Å; Y129-L135 HydrophobicContact CE2-CG 3.8Å; Y129-L147 HydrophobicContact CD1-CD1 4.49Å; Y129-L147 HydrophobicContact CD1-CD2 3.42Å; Y129-L147 VanDerWaalsContact CD1-CD2 3.42Å; Y129-L147 HydrophobicContact CD1-CG 3.6Å; Y129-L147 HydrophobicContact CD2-CD2 3.96Å; Y129-L147 HydrophobicContact CE1-CD2 3.56Å; Y129-L147 HydrophobicContact CE1-CG 3.88Å; Y129-L147 HydrophobicContact CE2-CD2 4.11Å; Y129-L147 HydrophobicContact CG-CD2 3.63Å; Y129-L147 HydrophobicContact CG-CG 4.18Å; Y129-P149 WeakPolarHBondContact O-CA 3.38Å; Y129-G150 PolarHBondContact O-N 2.63Å; Y129-D151 VanDerWaalsContact CB-O 3.3Å; Y129-D151 WeakPolarHBondContact CB-O 3.35Å; Y129-D151 PolarHBondContact N-O 2.94Å | ||
| 130 | H | 88.6 | Confident | 86.2 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | trans | -107.1 | 141.1 | 176.8 | -63.3 | -81.6 | 0 | 0 | 0 | 109.5 | E53 I128 R132 R133 | E53-H130 IonicContact OE1-CD2 2.85Å; E53-H130 IonicContact OE1-CE1 3.48Å; E53-H130 IonicContact OE1-NE2 3.65Å; E53-H130 PolarHBondContact OE1-NE2 3.46Å; E53-H130 IonicContact OE2-NE2 3.72Å; I128-H130 PolarHBondContact O-CD2 3.45Å; I128-H130 PolarHBondContact O-N 3.3Å; H130-R132 PolarHBondContact O-N 3.02Å; H130-R132 VanDerWaalsContact O-N 3.07Å; H130-R133 HydrophobicContact CB-CG 4.28Å; H130-R133 PolarHBondContact O-N 3.19Å | ||
| 131 | R | 78.8 | Confident | 85.5 | Confident | 217 Ų | 217 | 70.2 Ų | 70.2 | 82% | 0.819 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28 | 178.1 | -168.1 | 172.7 | -179.1 | 163.4 | 0.4 | 113.5 | P149 | R131-P149 HydrophobicContact CB-CB 4.46Å; R131-P149 HydrophobicContact CB-CG 3.93Å |
| 132 | R | 71.1 | Confident | 84.8 | Confident | 234 Ų | 234 | 69.5 Ų | 69.5 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.8 | -179.6 | -59.3 | -176.6 | -173.4 | -177.3 | 1.1 | 113.8 | H130 H134 | H130-R132 PolarHBondContact O-N 3.02Å; H130-R132 VanDerWaalsContact O-N 3.07Å; R132-H134 PolarHBondContact O-N 3.25Å |
| 133 | R | 72.2 | Confident | 84.1 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -79.4 | 117.3 | 176.5 | -75.6 | -168.3 | -170.1 | 172.2 | 11.8 | 108.4 | E53 H130 L135 | E53-R133 IonicContact OE1-NH2 2.81Å; E53-R133 IonicContact OE2-CZ 3.51Å; E53-R133 IonicContact OE2-NH1 3.23Å; E53-R133 IonicContact OE2-NH2 3.27Å; E53-R133 PolarHBondContact OE2-NH2 2.97Å; H130-R133 HydrophobicContact CB-CG 4.28Å; H130-R133 PolarHBondContact O-N 3.19Å; R133-L135 PolarHBondContact O-N 2.85Å |
| 134 | H | 63.2 | Low | 83.2 | Confident | 187 Ų | 187 | 73.2 Ų | 73.2 | 87% | 0.866 | 36% | 0.359 | S | S | * | . | trans | -63.2 | 108.6 | 174.7 | -70.6 | -81.5 | 0 | 0 | 0 | 109.5 | R132 | R132-H134 PolarHBondContact O-N 3.25Š| ||
| 135 | L | 77.3 | Confident | 82.3 | Confident | 14 Ų | 14 | 76.8 Ų | 76.8 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | trans | -84.5 | 149.8 | 156 | -68.1 | 171.6 | 0 | 0 | 0 | 107.5 | L102 L104 Y129 R133 N137 L139 L140 L143 L147 | L102-L135 HydrophobicContact CD2-CD1 4.37Å; L104-L135 HydrophobicContact CD1-CD2 4.27Å; Y129-L135 HydrophobicContact CD2-CD1 4.08Å; Y129-L135 HydrophobicContact CE2-CD1 3.33Å; Y129-L135 HydrophobicContact CE2-CG 3.8Å; R133-L135 PolarHBondContact O-N 2.85Å; L135-N137 PolarHBondContact O-N 3.49Å; L135-L139 HydrophobicContact CB-CD2 4.28Å; L135-L139 HydrophobicContact CD1-CD2 4.4Å; L135-L139 HydrophobicContact CD2-CD2 3.89Å; L135-L139 HydrophobicContact CG-CD2 4.42Å; L135-L140 HydrophobicContact CB-CD2 3.86Å; L135-L140 HydrophobicContact CB-CG 4.06Å; L135-L140 HydrophobicContact CD1-CD2 4.15Å; L135-L143 HydrophobicContact CD1-CD1 3.97Å; L135-L147 HydrophobicContact CD1-CD2 4.21Å | ||
| 136 | P | 80.1 | Confident | 81.7 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | trans | -52.7 | 141.5 | 172.4 | -23.9 | 33.1 | 0 | 0 | 0 | 111 | D138 L139 L140 | P136-D138 VanDerWaalsContact C-N 3.25Å; P136-D138 PolarHBondContact O-N 3.38Å; P136-L139 HydrophobicContact CB-CB 4.45Å; P136-L139 WeakPolarHBondContact O-CA 3.49Å; P136-L139 WeakPolarHBondContact O-CB 3.44Å; P136-L139 PolarHBondContact O-N 2.85Å; P136-L140 PolarHBondContact O-N 2.87Å; P136-L140 VanDerWaalsContact O-N 3.08Å | ||
| 137 | N | 78.4 | Confident | 81.3 | Confident | 123 Ų | 123 | 81.6 Ų | 81.6 | 66% | 0.658 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.3 | -40.7 | -176.1 | -74.4 | -17.4 | 0 | 0 | 0 | 112.6 | L135 L139 L140 T141 | L135-N137 PolarHBondContact O-N 3.49Å; N137-L139 PolarHBondContact O-N 3.41Å; N137-L140 WeakPolarHBondContact O-CB 3.5Å; N137-L140 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-OG1 3.44Å |
| 138 | D | 79.6 | Confident | 81 | Confident | 134 Ų | 134 | 85.6 Ų | 85.6 | 72% | 0.717 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.1 | -36.6 | 176.4 | -57.1 | -13.5 | 0 | 0 | 0 | 112.5 | P136 L142 | P136-D138 VanDerWaalsContact C-N 3.25Å; P136-D138 PolarHBondContact O-N 3.38Å; D138-L142 PolarHBondContact O-N 2.85Å |
| 139 | L | 80.5 | Confident | 80.8 | Confident | 18 Ų | 18 | 89 Ų | 89 | 9% | 0.094 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -78.1 | -34.2 | 179.6 | -173.9 | 61.2 | 0 | 0 | 0 | 111.3 | V70 L104 L135 P136 N137 L142 L143 | V70-L139 HydrophobicContact CB-CD1 4.36Å; V70-L139 HydrophobicContact CG1-CD1 3.55Å; V70-L139 HydrophobicContact CG2-CD1 3.88Å; L104-L139 HydrophobicContact CD1-CD2 4Å; L104-L139 HydrophobicContact CD2-CD1 4.3Å; L104-L139 HydrophobicContact CD2-CD2 3.78Å; L135-L139 HydrophobicContact CB-CD2 4.28Å; L135-L139 HydrophobicContact CD1-CD2 4.4Å; L135-L139 HydrophobicContact CD2-CD2 3.89Å; L135-L139 HydrophobicContact CG-CD2 4.42Å; P136-L139 HydrophobicContact CB-CB 4.45Å; P136-L139 WeakPolarHBondContact O-CA 3.49Å; P136-L139 WeakPolarHBondContact O-CB 3.44Å; P136-L139 PolarHBondContact O-N 2.85Å; N137-L139 PolarHBondContact O-N 3.41Å; L139-L142 HydrophobicContact CD1-CD2 4.36Å; L139-L142 PolarHBondContact O-N 3.21Å; L139-L143 HydrophobicContact CD1-CD1 3.82Å; L139-L143 HydrophobicContact CD1-CG 4.13Å; L139-L143 HydrophobicContact CD2-CD1 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.61Å; L139-L143 HydrophobicContact CG-CG 4.31Å; L139-L143 VanDerWaalsContact O-CB 3.27Å; L139-L143 WeakPolarHBondContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CD1 3.49Å; L139-L143 WeakPolarHBondContact O-CG 3.36Å; L139-L143 PolarHBondContact O-N 2.81Å |
| 140 | L | 79.5 | Confident | 80.8 | Confident | 67 Ų | 67 | 88.5 Ų | 88.5 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 174.6 | -69.2 | 174.8 | 0 | 0 | 0 | 111.6 | L135 P136 N137 L142 L143 A144 | L135-L140 HydrophobicContact CB-CD2 3.86Å; L135-L140 HydrophobicContact CB-CG 4.06Å; L135-L140 HydrophobicContact CD1-CD2 4.15Å; P136-L140 PolarHBondContact O-N 2.87Å; P136-L140 VanDerWaalsContact O-N 3.08Å; N137-L140 WeakPolarHBondContact O-CB 3.5Å; N137-L140 PolarHBondContact O-N 2.99Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.89Å; L140-L143 CarbonylContact O-C 3.54Å; L140-L143 PolarHBondContact O-N 2.84Å; L140-A144 PolarHBondContact O-N 3.14Å |
| 141 | T | 82.3 | Confident | 81.1 | Confident | 115 Ų | 115 | 86 Ų | 86 | 71% | 0.706 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | N137 L143 A144 | N137-T141 PolarHBondContact O-N 2.99Å; N137-T141 PolarHBondContact O-OG1 3.44Å; T141-L143 VanDerWaalsContact C-N 3.3Å; T141-L143 PolarHBondContact O-N 2.84Å; T141-A144 WeakPolarHBondContact O-CB 3.47Å; T141-A144 PolarHBondContact O-N 2.82Å |
| 142 | L | 82.9 | Confident | 81.9 | Confident | 64 Ų | 64 | 75.6 Ų | 75.6 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 177.7 | -172.2 | 68.8 | 0 | 0 | 0 | 113 | L66 K67 V70 D138 L139 L140 | L66-L142 HydrophobicContact CB-CD1 4.26Å; L66-L142 HydrophobicContact CB-CD2 3.65Å; L66-L142 HydrophobicContact CB-CG 3.9Å; L66-L142 HydrophobicContact CD1-CD2 4.44Å; L66-L142 HydrophobicContact CD1-CG 4.3Å; K67-L142 HydrophobicContact CB-CD2 3.84Å; V70-L142 HydrophobicContact CG1-CD2 4.25Å; D138-L142 PolarHBondContact O-N 2.85Å; L139-L142 HydrophobicContact CD1-CD2 4.36Å; L139-L142 PolarHBondContact O-N 3.21Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.89Å |
| 143 | L | 83.1 | Confident | 83 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.4 | -178.2 | -66.9 | 171.3 | 0 | 0 | 0 | 113.7 | L66 L72 L102 L135 L139 L140 T141 G145 K146 L147 | L66-L143 HydrophobicContact CD1-CD2 3.3Å; L66-L143 HydrophobicContact CD1-CG 4.34Å; L72-L143 HydrophobicContact CD1-CD2 4.14Å; L72-L143 HydrophobicContact CD2-CD2 4.23Å; L72-L143 HydrophobicContact CG-CD2 4.25Å; L102-L143 HydrophobicContact CD1-CD1 3.99Å; L102-L143 HydrophobicContact CD1-CD2 3.63Å; L102-L143 HydrophobicContact CD1-CG 4.46Å; L102-L143 HydrophobicContact CD2-CD1 3.78Å; L135-L143 HydrophobicContact CD1-CD1 3.97Å; L139-L143 HydrophobicContact CD1-CD1 3.82Å; L139-L143 HydrophobicContact CD1-CG 4.13Å; L139-L143 HydrophobicContact CD2-CD1 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.61Å; L139-L143 HydrophobicContact CG-CG 4.31Å; L139-L143 VanDerWaalsContact O-CB 3.27Å; L139-L143 WeakPolarHBondContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CD1 3.49Å; L139-L143 WeakPolarHBondContact O-CG 3.36Å; L139-L143 PolarHBondContact O-N 2.81Å; L140-L143 CarbonylContact O-C 3.54Å; L140-L143 PolarHBondContact O-N 2.84Å; T141-L143 VanDerWaalsContact C-N 3.3Å; T141-L143 PolarHBondContact O-N 2.84Å; L143-G145 PolarHBondContact O-N 2.7Å; L143-K146 PolarHBondContact O-N 2.89Å; L143-L147 HydrophobicContact CB-CB 4.3Å; L143-L147 HydrophobicContact CD1-CD2 4.04Å; L143-L147 HydrophobicContact CD2-CB 4.48Å; L143-L147 PolarHBondContact O-N 2.99Å |
| 144 | A | 76.8 | Confident | 84 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 114.5 | -174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L140 T141 K146 | L140-A144 PolarHBondContact O-N 3.14Å; T141-A144 WeakPolarHBondContact O-CB 3.47Å; T141-A144 PolarHBondContact O-N 2.82Å; A144-K146 PolarHBondContact O-N 3.04Å |
| 145 | G | 79 | Confident | 85.4 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 79% | 0.794 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -14.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L143 | L143-G145 PolarHBondContact O-N 2.7Š|
| 146 | K | 85.1 | Confident | 86 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -23 | -179.8 | -65.8 | -168 | 175.5 | -167.5 | 0 | 114.1 | D64 L66 L72 R100 L143 A144 | D64-K146 IonicContact OD1-NZ 3.95Å; D64-K146 IonicContact OD2-NZ 2.76Å; D64-K146 PolarHBondContact OD2-NZ 2.95Å; L66-K146 HydrophobicContact CD2-CD 3.85Å; L72-K146 HydrophobicContact CD1-CB 3.6Å; L72-K146 HydrophobicContact CD1-CD 3.92Å; L72-K146 HydrophobicContact CD1-CG 4.39Å; R100-K146 PolarHBondContact NH1-O 3.12Å; R100-K146 PolarHBondContact NH2-O 2.95Å; L143-K146 PolarHBondContact O-N 2.89Å; A144-K146 PolarHBondContact O-N 3.04Å |
| 147 | L | 86.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -117.2 | 135.2 | 179 | -171.3 | 71.2 | 0 | 0 | 0 | 110.8 | L72 L102 Y129 L135 L143 D151 | L72-L147 HydrophobicContact CD2-CD1 4.08Å; L102-L147 HydrophobicContact CB-CD1 3.97Å; L102-L147 HydrophobicContact CB-CD2 4.34Å; L102-L147 HydrophobicContact CD2-CD2 3.89Å; Y129-L147 HydrophobicContact CD1-CD1 4.49Å; Y129-L147 HydrophobicContact CD1-CD2 3.42Å; Y129-L147 VanDerWaalsContact CD1-CD2 3.42Å; Y129-L147 HydrophobicContact CD1-CG 3.6Å; Y129-L147 HydrophobicContact CD2-CD2 3.96Å; Y129-L147 HydrophobicContact CE1-CD2 3.56Å; Y129-L147 HydrophobicContact CE1-CG 3.88Å; Y129-L147 HydrophobicContact CE2-CD2 4.11Å; Y129-L147 HydrophobicContact CG-CD2 3.63Å; Y129-L147 HydrophobicContact CG-CG 4.18Å; L135-L147 HydrophobicContact CD1-CD2 4.21Å; L143-L147 HydrophobicContact CB-CB 4.3Å; L143-L147 HydrophobicContact CD1-CD2 4.04Å; L143-L147 HydrophobicContact CD2-CB 4.48Å; L143-L147 PolarHBondContact O-N 2.99Å; L147-D151 HydrophobicContact CD1-CB 3.58Å; L147-D151 HydrophobicContact CG-CB 4.46Å | ||
| 148 | K | 89.1 | Confident | 87.3 | Confident | 111 Ų | 111 | 49.5 Ų | 49.5 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | trans | -116.2 | 146.3 | -180 | -62.2 | -177.7 | -177.8 | 179.5 | 0 | 111 | G150 D151 | K148-G150 PolarHBondContact O-N 3.38Å; K148-D151 PolarHBondContact N-OD2 2.84Å; K148-D151 VanDerWaalsContact O-CB 3.25Å; K148-D151 WeakPolarHBondContact O-CB 3.15Å; K148-D151 PolarHBondContact O-N 3.22Å | ||
| 149 | P | 90.1 | Very high | 88.1 | Confident | 74 Ų | 74 | 43.1 Ų | 43.1 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 132.1 | 168.4 | -23.5 | 34.4 | 0 | 0 | 0 | 110.4 | Y129 R131 | Y129-P149 WeakPolarHBondContact O-CA 3.38Å; R131-P149 HydrophobicContact CB-CB 4.46Å; R131-P149 HydrophobicContact CB-CG 3.93Å |
| 150 | G | 92.2 | Very high | 88.8 | Confident | 12 Ų | 12 | 43 Ų | 43 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -20.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | L88 Y89 Y129 K148 | L88-G150 WeakPolarHBondContact CA-O 3.43Å; Y89-G150 PolarHBondContact N-O 2.77Å; Y129-G150 PolarHBondContact O-N 2.63Å; K148-G150 PolarHBondContact O-N 3.38Å |
| 151 | D | 94.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -62.5 | 152.5 | 169.2 | -71.7 | -17.2 | 0 | 0 | 0 | 109.8 | R100 Y129 L147 K148 | R100-D151 IonicContact NH1-OD2 2.82Å; R100-D151 PolarHBondContact NH1-OD2 3.35Å; Y129-D151 VanDerWaalsContact CB-O 3.3Å; Y129-D151 WeakPolarHBondContact CB-O 3.35Å; Y129-D151 PolarHBondContact N-O 2.94Å; L147-D151 HydrophobicContact CD1-CB 3.58Å; L147-D151 HydrophobicContact CG-CB 4.46Å; K148-D151 PolarHBondContact N-OD2 2.84Å; K148-D151 VanDerWaalsContact O-CB 3.25Å; K148-D151 WeakPolarHBondContact O-CB 3.15Å; K148-D151 PolarHBondContact O-N 3.22Å |
| 152 | G | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 154 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R100 L101 L102 | R100-G152 PolarHBondContact O-N 3.36Å; L101-G152 CarbonylContact C-O 3.35Å; L101-G152 VanDerWaalsContact CA-O 3.3Å; L101-G152 WeakPolarHBondContact CA-O 3.3Å; L101-G152 VanDerWaalsContact CD2-CA 3.47Å; L102-G152 PolarHBondContact N-O 2.77Å |
| 153 | L | 94.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.3 | 178.7 | 178.2 | 65.2 | 0 | 0 | 0 | 109.3 | L102 L104 Q127 | L102-L153 HydrophobicContact CB-CD1 4.04Å; L102-L153 HydrophobicContact CD2-CD1 3.63Å; L102-L153 HydrophobicContact CG-CD1 4.05Å; L104-L153 HydrophobicContact CD1-CD1 3.9Å; L104-L153 HydrophobicContact CG-CD1 4.21Å; Q127-L153 HydrophobicContact CB-CB 4.47Å; Q127-L153 PolarHBondContact N-O 3Å; Q127-L153 WeakPolarHBondContact O-CA 3.37Å; Q127-L153 WeakPolarHBondContact O-CB 3.5Å; Q127-L153 PolarHBondContact O-N 2.9Å |
| 154 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.1 | 177.5 | -65.1 | 175.7 | 0 | 0 | 0 | 109.6 | F54 L101 L102 V103 L104 V124 N158 V160 | F54-L154 HydrophobicContact CZ-CD2 3.97Å; F54-L154 HydrophobicContact CZ-CG 4.39Å; L101-L154 HydrophobicContact CB-CD1 4.35Å; L101-L154 HydrophobicContact CD1-CD1 3.87Å; L102-L154 PolarHBondContact O-N 2.9Å; V103-L154 CarbonylContact C-O 3.57Å; V103-L154 WeakPolarHBondContact CA-O 3.29Å; V103-L154 HydrophobicContact CG2-CB 4.28Å; V103-L154 HydrophobicContact CG2-CD1 4.14Å; L104-L154 PolarHBondContact N-O 3.2Å; V124-L154 HydrophobicContact CB-CD1 4.27Å; V124-L154 HydrophobicContact CB-CD2 4.46Å; V124-L154 HydrophobicContact CG1-CD1 4.19Å; L154-N158 HydrophobicContact CD2-CB 4.09Å; L154-V160 HydrophobicContact CD1-CG2 3.96Å; L154-V160 HydrophobicContact CD2-CG2 4.08Å; L154-V160 HydrophobicContact CG-CG2 4.48Å |
| 155 | R | 92.3 | Very high | 92.3 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 166 | 169.3 | -64 | 178.8 | 177 | 174.2 | -1.8 | 109.4 | L104 T106 S157 N158 | L104-R155 WeakPolarHBondContact O-CA 3.47Å; T106-R155 HydrophobicContact CG2-CB 3.83Å; T106-R155 HydrophobicContact CG2-CG 3.84Å; R155-S157 PolarHBondContact O-N 3.27Å; R155-S157 VanDerWaalsContact O-N 3.13Å; R155-N158 WeakPolarHBondContact CB-OD1 3.36Å; R155-N158 PolarHBondContact N-OD1 2.75Å; R155-N158 WeakPolarHBondContact O-CB 3.2Å; R155-N158 PolarHBondContact O-N 2.7Å |
| 156 | S | 90 | Very high | 93.1 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.7 | 177.1 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | K43 L104 D105 T106 F107 C113 | K43-S156 PolarHBondContact NZ-O 2.81Å; L104-S156 PolarHBondContact O-N 3Å; D105-S156 WeakPolarHBondContact CA-OG 3.46Å; D105-S156 PolarHBondContact OD1-OG 2.85Å; T106-S156 PolarHBondContact N-OG 3.38Å; T106-S156 WeakPolarHBondContact OG1-CB 3.14Å; T106-S156 PolarHBondContact OG1-N 3.23Å; T106-S156 PolarHBondContact OG1-OG 3.05Å; F107-S156 PolarHBondContact N-OG 3.1Å; C113-S156 VanDerWaalsContact SG-CB 3.59Å |
| 157 | S | 90.9 | Very high | 93.6 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -19.1 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | K43 Y48 R155 | K43-S157 PolarHBondContact NZ-O 2.63Å; Y48-S157 WeakPolarHBondContact CE1-O 3.4Å; Y48-S157 PolarHBondContact OH-O 2.9Å; R155-S157 PolarHBondContact O-N 3.27Å; R155-S157 VanDerWaalsContact O-N 3.13Å |
| 158 | N | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -70.3 | 164.6 | -177.9 | -69.9 | 129 | 0 | 0 | 0 | 113.3 | K43 M125 L154 R155 V160 | K43-N158 PolarHBondContact NZ-O 3.23Å; M125-N158 WeakPolarHBondContact O-CB 3.31Å; L154-N158 HydrophobicContact CD2-CB 4.09Å; R155-N158 WeakPolarHBondContact CB-OD1 3.36Å; R155-N158 PolarHBondContact N-OD1 2.75Å; R155-N158 WeakPolarHBondContact O-CB 3.2Å; R155-N158 PolarHBondContact O-N 2.7Å; N158-V160 PolarHBondContact O-N 3.43Å |
| 159 | Y | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 109.4 | -179.9 | -170.8 | -76.3 | 0 | 0 | 0 | 109.2 | K43 E45 Y48 I123 V124 M125 K161 R167 | K43-Y159 HydrophobicContact CB-CD2 3.59Å; K43-Y159 HydrophobicContact CB-CE2 3.83Å; K43-Y159 HydrophobicContact CD-CD2 4.43Å; K43-Y159 WeakPolarHBondContact O-CE2 3.47Å; E45-Y159 HydrophobicContact CG-CE2 3.96Å; E45-Y159 WeakPolarHBondContact CG-OH 3.13Å; E45-Y159 PolarHBondContact OE1-OH 2.94Å; Y48-Y159 HydrophobicContact CD2-CD2 4.27Å; Y48-Y159 HydrophobicContact CG-CD2 4.02Å; Y48-Y159 HydrophobicContact CG-CG 4.41Å; I123-Y159 HydrophobicContact CB-CE1 4.15Å; I123-Y159 HydrophobicContact CG2-CD1 4.19Å; I123-Y159 HydrophobicContact CG2-CE1 3.81Å; V124-Y159 CarbonylContact C-O 3.53Å; V124-Y159 VanDerWaalsContact CA-O 3.3Å; V124-Y159 WeakPolarHBondContact CA-O 3.28Å; M125-Y159 HydrophobicContact CE-CD1 4.23Å; M125-Y159 HydrophobicContact CE-CE1 4.3Å; M125-Y159 HydrophobicContact CG-CD1 3.98Å; M125-Y159 HydrophobicContact CG-CG 4.17Å; M125-Y159 PolarHBondContact N-O 2.86Å; M125-Y159 PolarHBondContact O-N 3.45Å; M125-Y159 HydrophobicContact SD-CD1 4.28Å; M125-Y159 HydrophobicContact SD-CG 4.18Å; Y159-K161 HydrophobicContact CD1-CG 4.34Å; Y159-K161 HydrophobicContact CE1-CB 3.73Å; Y159-K161 HydrophobicContact CE1-CG 3.74Å; Y159-K161 HydrophobicContact CE2-CG 4.23Å; Y159-R167 WeakPolarHBondContact OH-CD 3.42Å |
| 160 | V | 95.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 104.4 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | P114 I116 Y122 V124 L154 N158 | P114-V160 HydrophobicContact CB-CB 3.89Å; P114-V160 HydrophobicContact CB-CG1 3.82Å; P114-V160 HydrophobicContact CB-CG2 4.37Å; P114-V160 HydrophobicContact CG-CB 4.08Å; P114-V160 HydrophobicContact CG-CG1 4.03Å; P114-V160 HydrophobicContact CG-CG2 4.01Å; I116-V160 HydrophobicContact CD1-CG1 4.02Å; I116-V160 HydrophobicContact CG1-CG1 3.97Å; Y122-V160 HydrophobicContact CD1-CG1 4.1Å; V124-V160 HydrophobicContact CG1-CG1 4.14Å; V124-V160 HydrophobicContact CG1-CG2 4.23Å; L154-V160 HydrophobicContact CD1-CG2 3.96Å; L154-V160 HydrophobicContact CD2-CG2 4.08Å; L154-V160 HydrophobicContact CG-CG2 4.48Å; N158-V160 PolarHBondContact O-N 3.43Å |
| 161 | K | 95.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 51 Ų | 51 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145 | -179.1 | -67.1 | -65.6 | -177 | 173.8 | 0 | 110.5 | R40 K41 E42 Y122 I123 Y159 F163 | R40-K161 PolarHBondContact O-NZ 3.33Å; K41-K161 WeakPolarHBondContact O-CE 3.14Å; K41-K161 PolarHBondContact O-NZ 2.95Å; E42-K161 IonicContact OE2-NZ 3.04Å; E42-K161 PolarHBondContact OE2-NZ 3.45Å; Y122-K161 CarbonylContact C-O 3.41Å; Y122-K161 WeakPolarHBondContact CA-O 3.37Å; Y122-K161 WeakPolarHBondContact CD1-O 3.11Å; I123-K161 PolarHBondContact N-O 2.74Å; I123-K161 PolarHBondContact O-N 3.06Å; Y159-K161 HydrophobicContact CD1-CG 4.34Å; Y159-K161 HydrophobicContact CE1-CB 3.73Å; Y159-K161 HydrophobicContact CE1-CG 3.74Å; Y159-K161 HydrophobicContact CE2-CG 4.23Å; K161-F163 PolarHBondContact O-N 3.49Å |
| 162 | R | 95.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 42% | 0.419 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 139.1 | 169.8 | -75.6 | -178.3 | 173.3 | -106.6 | -15.6 | 109.5 | K117 Y122 N164 R167 | K117-R162 VanDerWaalsContact CG-NH2 3.34Å; Y122-R162 HydrophobicContact CD1-CG 4.07Å; Y122-R162 HydrophobicContact CE1-CB 4.47Å; Y122-R162 HydrophobicContact CE1-CG 3.53Å; Y122-R162 PolarHBondContact OH-NH2 3.17Å; R162-N164 PolarHBondContact O-N 3.25Å; R162-R167 PolarHBondContact O-NH1 2.95Å |
| 163 | F | 95.9 | Very high | 94.7 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | trans | -58.3 | 135.7 | 177.8 | 178.8 | -89.3 | 0 | 0 | 0 | 110.2 | N57 R121 I123 K161 H168 | N57-F163 HydrophobicContact CB-CD2 4.29Å; R121-F163 HydrophobicContact CB-CB 3.85Å; R121-F163 HydrophobicContact CB-CG 4.49Å; R121-F163 HydrophobicContact CG-CB 3.76Å; R121-F163 HydrophobicContact CG-CD2 4.35Å; R121-F163 HydrophobicContact CG-CG 4.05Å; R121-F163 WeakPolarHBondContact O-CB 3.47Å; R121-F163 PolarHBondContact O-N 3.26Å; I123-F163 HydrophobicContact CD1-CD2 4.12Å; I123-F163 HydrophobicContact CG1-CD2 3.99Å; K161-F163 PolarHBondContact O-N 3.49Å; F163-H168 HydrophobicContact CD2-CB 4.48Å; F163-H168 HydrophobicContact CE2-CB 3.63Å; F163-H168 AromaticContact CE2-CG 3.86Å; F163-H168 HydrophobicContact CZ-CB 3.9Å | ||
| 164 | N | 95.1 | Very high | 94.7 | Very high | 80 Ų | 80 | 58.1 Ų | 58.1 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | trans | -145.9 | 139.9 | 172.2 | 178.4 | -51.2 | 0 | 0 | 0 | 106.5 | R162 R166 R167 H168 | R162-N164 PolarHBondContact O-N 3.25Å; N164-R166 PolarHBondContact O-N 3.17Å; N164-R166 VanDerWaalsContact OD1-CB 3.31Å; N164-R166 WeakPolarHBondContact OD1-CB 3.45Å; N164-R166 PolarHBondContact OD1-N 3.24Å; N164-R167 HydrophobicContact CB-CB 4.37Å; N164-R167 HydrophobicContact CB-CG 4.15Å; N164-R167 PolarHBondContact O-N 3.4Å; N164-H168 PolarHBondContact O-N 2.89Å | ||
| 165 | K | 95.3 | Very high | 94.6 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 76% | 0.761 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -52.5 | -39.8 | 178.9 | -71 | -172.9 | 177.4 | -177.4 | 0 | 112.5 | H168 Q169 | K165-H168 WeakPolarHBondContact O-CB 3.32Å; K165-H168 PolarHBondContact O-N 3.46Å; K165-Q169 WeakPolarHBondContact O-CB 3.49Å; K165-Q169 PolarHBondContact O-N 3.41Å |
| 166 | R | 95.8 | Very high | 94.5 | Very high | 182 Ų | 182 | 64.6 Ų | 64.6 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 176 | -173.8 | -180 | 179.3 | -174.8 | -0.7 | 112.2 | N164 Q169 K170 | N164-R166 PolarHBondContact O-N 3.17Å; N164-R166 VanDerWaalsContact OD1-CB 3.31Å; N164-R166 WeakPolarHBondContact OD1-CB 3.45Å; N164-R166 PolarHBondContact OD1-N 3.24Å; R166-Q169 PolarHBondContact O-N 3.39Å; R166-K170 WeakPolarHBondContact O-CG 3.39Å; R166-K170 PolarHBondContact O-N 3.2Å; R166-K170 VanDerWaalsContact O-N 3.08Å |
| 167 | R | 95.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 66 Ų | 66 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 178.7 | -66.1 | -174.6 | 174.1 | 132.6 | 1.5 | 111.8 | E42 E45 I123 Y159 R162 N164 Q169 K170 A171 | E42-R167 IonicContact OE1-CZ 2.89Å; E42-R167 IonicContact OE1-NE 3.65Å; E42-R167 PolarHBondContact OE1-NE 3.47Å; E42-R167 IonicContact OE1-NH2 3.94Å; E42-R167 PolarHBondContact OE1-NH2 3.34Å; E42-R167 IonicContact OE2-NH2 3.96Å; E42-R167 PolarHBondContact OE2-NH2 2.97Å; E42-R167 VanDerWaalsContact OE2-NH2 3.1Å; E45-R167 WeakPolarHBondContact OE1-CG 3.49Å; I123-R167 HydrophobicContact CD1-CB 3.78Å; Y159-R167 WeakPolarHBondContact OH-CD 3.42Å; R162-R167 PolarHBondContact O-NH1 2.95Å; N164-R167 HydrophobicContact CB-CB 4.37Å; N164-R167 HydrophobicContact CB-CG 4.15Å; N164-R167 PolarHBondContact O-N 3.4Å; R167-Q169 VanDerWaalsContact C-N 3.35Å; R167-K170 PolarHBondContact O-N 3.42Å; R167-A171 WeakPolarHBondContact O-CB 3.47Å; R167-A171 PolarHBondContact O-N 3.47Å |
| 168 | H | 95.5 | Very high | 94 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 173.6 | 174.5 | 64.9 | 0 | 0 | 0 | 111.2 | Y83 I123 F163 N164 K165 K170 A171 L172 | Y83-H168 AromaticContact CE1-CE1 3.79Å; Y83-H168 AromaticContact CE1-ND1 3.47Å; Y83-H168 WeakPolarHBondContact CE1-ND1 3.45Å; Y83-H168 AromaticContact CZ-ND1 3.53Å; Y83-H168 PolarHBondContact OH-ND1 2.8Å; I123-H168 HydrophobicContact CD1-CB 4.41Å; F163-H168 HydrophobicContact CD2-CB 4.48Å; F163-H168 HydrophobicContact CE2-CB 3.63Å; F163-H168 AromaticContact CE2-CG 3.86Å; F163-H168 HydrophobicContact CZ-CB 3.9Å; N164-H168 PolarHBondContact O-N 2.89Å; K165-H168 WeakPolarHBondContact O-CB 3.32Å; K165-H168 PolarHBondContact O-N 3.46Å; H168-K170 PolarHBondContact O-N 3.43Å; H168-A171 WeakPolarHBondContact O-CB 2.99Å; H168-A171 PolarHBondContact O-N 3.17Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.46Å; H168-L172 WeakPolarHBondContact O-CG 3.41Å; H168-L172 PolarHBondContact O-N 3.42Å |
| 169 | Q | 95.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 76.6 Ų | 76.6 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.7 | -175.6 | 56 | 36.3 | 0 | 0 | 112.1 | K165 R166 R167 A171 L172 E173 | K165-Q169 WeakPolarHBondContact O-CB 3.49Å; K165-Q169 PolarHBondContact O-N 3.41Å; R166-Q169 PolarHBondContact O-N 3.39Å; R167-Q169 VanDerWaalsContact C-N 3.35Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.28Å; Q169-L172 WeakPolarHBondContact O-CB 2.99Å; Q169-L172 PolarHBondContact O-N 3.34Å; Q169-L172 VanDerWaalsContact O-N 3.17Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 3.08Å; Q169-E173 WeakPolarHBondContact O-CG 3.44Å; Q169-E173 PolarHBondContact O-N 3.05Å |
| 170 | K | 95.5 | Very high | 92.6 | Very high | 71 Ų | 71 | 91 Ų | 91 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.5 | -72.2 | -174.8 | 176.1 | -169.2 | 0 | 113.4 | E45 R166 R167 H168 E173 A174 | E45-K170 HydrophobicContact CB-CB 4.02Å; E45-K170 HydrophobicContact CG-CB 3.95Å; E45-K170 HydrophobicContact CG-CD 4.34Å; E45-K170 WeakPolarHBondContact OE2-CD 3.35Å; E45-K170 IonicContact OE2-NZ 3.2Å; E45-K170 PolarHBondContact OE2-NZ 2.77Å; R166-K170 WeakPolarHBondContact O-CG 3.39Å; R166-K170 PolarHBondContact O-N 3.2Å; R166-K170 VanDerWaalsContact O-N 3.08Å; R167-K170 PolarHBondContact O-N 3.42Å; H168-K170 PolarHBondContact O-N 3.43Å; K170-E173 PolarHBondContact O-N 2.81Å; K170-A174 WeakPolarHBondContact O-CB 3.01Å; K170-A174 PolarHBondContact O-N 3.19Å |
| 171 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y83 M125 R167 H168 Q169 A174 V175 | Y83-A171 HydrophobicContact CD1-CB 4.29Å; Y83-A171 HydrophobicContact CD2-CB 4.34Å; Y83-A171 HydrophobicContact CE1-CB 4.1Å; Y83-A171 HydrophobicContact CE2-CB 4.16Å; Y83-A171 HydrophobicContact CG-CB 4.39Å; M125-A171 HydrophobicContact CE-CB 4.03Å; R167-A171 WeakPolarHBondContact O-CB 3.47Å; R167-A171 PolarHBondContact O-N 3.47Å; H168-A171 WeakPolarHBondContact O-CB 2.99Å; H168-A171 PolarHBondContact O-N 3.17Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.28Å; A171-A174 WeakPolarHBondContact O-CB 3.35Å; A171-A174 PolarHBondContact O-N 3.39Å; A171-V175 WeakPolarHBondContact O-CG2 3.28Å; A171-V175 PolarHBondContact O-N 3.06Å |
| 172 | L | 95.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 98.6 Ų | 98.6 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 173.6 | -69.1 | 175.8 | 0 | 0 | 0 | 112.5 | Y83 H168 Q169 A174 V175 R176 | Y83-L172 HydrophobicContact CD1-CD2 3.97Å; Y83-L172 HydrophobicContact CE1-CD2 4Å; Y83-L172 HydrophobicContact CE1-CG 4.28Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.46Å; H168-L172 WeakPolarHBondContact O-CG 3.41Å; H168-L172 PolarHBondContact O-N 3.42Å; Q169-L172 WeakPolarHBondContact O-CB 2.99Å; Q169-L172 PolarHBondContact O-N 3.34Å; Q169-L172 VanDerWaalsContact O-N 3.17Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-V175 WeakPolarHBondContact O-CB 3.49Å; L172-V175 PolarHBondContact O-N 2.9Å; L172-R176 PolarHBondContact O-N 2.9Å |
| 173 | E | 94.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 97.9 Ų | 97.9 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 172.4 | -73.3 | 164.6 | -164.8 | 0 | 0 | 111.2 | Q169 K170 V175 R176 S177 | Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 3.08Å; Q169-E173 WeakPolarHBondContact O-CG 3.44Å; Q169-E173 PolarHBondContact O-N 3.05Å; K170-E173 PolarHBondContact O-N 2.81Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 3.35Å; E173-R176 PolarHBondContact O-N 2.85Å; E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.25Å |
| 174 | A | 93.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 100.2 Ų | 100.2 | 2% | 0.017 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R46 Y49 K170 A171 L172 R176 S177 | R46-A174 HydrophobicContact CB-CB 4Å; R46-A174 HydrophobicContact CG-CB 4.15Å; Y49-A174 HydrophobicContact CD1-CB 3.95Å; Y49-A174 HydrophobicContact CG-CB 3.88Å; K170-A174 WeakPolarHBondContact O-CB 3.01Å; K170-A174 PolarHBondContact O-N 3.19Å; A171-A174 WeakPolarHBondContact O-CB 3.35Å; A171-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact C-N 3.32Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.96Å; A174-S177 WeakPolarHBondContact CA-OG 3.39Å; A174-S177 PolarHBondContact O-N 2.04Å; A174-S177 PolarHBondContact O-OG 3.35Å |
| 175 | V | 93.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 101.5 Ų | 101.5 | 35% | 0.345 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 112 | Y49 A171 L172 E173 | Y49-V175 HydrophobicContact CD2-CG2 4.33Å; Y49-V175 HydrophobicContact CE2-CB 4.45Å; Y49-V175 HydrophobicContact CE2-CG2 3.5Å; Y49-V175 VanDerWaalsContact CE2-CG2 3.5Å; A171-V175 WeakPolarHBondContact O-CG2 3.28Å; A171-V175 PolarHBondContact O-N 3.06Å; L172-V175 WeakPolarHBondContact O-CB 3.49Å; L172-V175 PolarHBondContact O-N 2.9Å; E173-V175 VanDerWaalsContact C-N 3.33Å; E173-V175 PolarHBondContact O-N 3.35Å |
| 176 | R | 91.1 | Very high | 91.5 | Very high | 197 Ų | 197 | 96.6 Ų | 96.6 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -79 | -24.1 | -179.9 | -64.3 | 173.3 | -174.9 | 170.9 | 1.4 | 112.5 | L172 E173 A174 | L172-R176 PolarHBondContact O-N 2.9Å; E173-R176 PolarHBondContact O-N 2.85Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.96Å |
| 177 | S | 87.1 | Confident | 91.2 | Very high | 35 Ų | 35 | 90.5 Ų | 90.5 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -77.9 | 147.2 | 179.1 | 80.4 | 0 | 0 | 0 | 0 | 111.4 | R46 E173 A174 | R46-S177 PolarHBondContact NE-OG 2.93Å; E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.25Å; A174-S177 WeakPolarHBondContact CA-OG 3.39Å; A174-S177 PolarHBondContact O-N 2.04Å; A174-S177 PolarHBondContact O-OG 3.35Å |
| 178 | R | 83.6 | Confident | 90.8 | Very high | 223 Ų | 223 | 93.5 Ų | 93.5 | 84% | 0.842 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 131.4 | 167.1 | -69.3 | -173 | -178.4 | -169.1 | 1.1 | 109.7 | R46 | R46-R178 PolarHBondContact NH2-O 3.06Š|
| 179 | C | 86.7 | Confident | 90.4 | Very high | 56 Ų | 56 | 98.2 Ų | 98.2 | 38% | 0.378 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 136.2 | 160.5 | -62.9 | 0 | 0 | 0 | 0 | 108.2 | C50 | C50-C179 WeakPolarHBondContact CA-SG 3.47Å; C50-C179 HydrophobicContact CB-CB 3.68Å; C50-C179 WeakPolarHBondContact CB-SG 3.47Å; C50-C179 WeakPolarHBondContact SG-CA 3.42Å; C50-C179 WeakPolarHBondContact SG-CB 3.02Å; C50-C179 CovalentContact SG-SG 2.04Å; C50-C179 PolarHBondContact SG-SG 3.26Å |
| 180 | R | 73.7 | Confident | 89.9 | Confident | 303 Ų | 303 | 99.6 Ų | 99.6 | 100% | 1.143 | 43% | 0.433 | S | S | * | . | trans | -76.8 | 0 | 178.7 | -76.1 | -176.4 | 174.5 | 175 | -1.9 | 110.7 |
Retrieved 180 of 180 residues in 122.2 ms
(Link to these results)