| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.6 | Low | 89.1 | Confident | 234 Ų | 234 | 132.3 Ų | 132.3 | 100% | 1.153 | 62% | 0.624 | S | S | * | * | 0 | 104.2 | 0 | -77.9 | -68.5 | -91.7 | 0 | 0 | 106.4 | S3 | M1-S3 PolarHBondContact O-N 3.14Š| |||
| 2 | D | 87.6 | Confident | 89.7 | Confident | 121 Ų | 121 | 124.6 Ų | 124.6 | 65% | 0.647 | 60% | 0.6 | S | S | * | * | trans | -75.1 | 124.6 | -171.6 | -58.7 | -33.9 | 0 | 0 | 0 | 111 | Q4 K5 Q6 | D2-Q4 VanDerWaalsContact C-N 3.25Å; D2-Q4 PolarHBondContact O-N 2.9Å; D2-K5 HydrophobicContact CB-CB 4.22Å; D2-K5 WeakPolarHBondContact O-CB 2.93Å; D2-K5 PolarHBondContact O-N 2.93Å; D2-K5 VanDerWaalsContact O-N 3.14Å; D2-Q6 PolarHBondContact O-N 3.12Å | ||
| 3 | S | 89.4 | Confident | 90.1 | Very high | 76 Ų | 76 | 121 Ų | 121 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.9 | -38.8 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 112 | M1 K5 Q6 E7 | M1-S3 PolarHBondContact O-N 3.14Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.14Å; S3-Q6 WeakPolarHBondContact O-CB 3.34Å; S3-Q6 PolarHBondContact O-N 3.02Å; S3-Q6 VanDerWaalsContact O-N 3.11Å; S3-E7 WeakPolarHBondContact O-CG 3.4Å; S3-E7 PolarHBondContact O-N 3.31Å |
| 4 | Q | 89 | Confident | 90.6 | Very high | 153 Ų | 153 | 119.7 Ų | 119.7 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.5 | -41.4 | 176.6 | -67.2 | -176.9 | -26.9 | 0 | 0 | 112.4 | D2 Q6 E7 F8 | D2-Q4 VanDerWaalsContact C-N 3.25Å; D2-Q4 PolarHBondContact O-N 2.9Å; Q4-Q6 VanDerWaalsContact C-N 3.34Å; Q4-E7 PolarHBondContact O-N 3.15Å; Q4-F8 WeakPolarHBondContact O-CB 3.47Å; Q4-F8 PolarHBondContact O-N 3.46Å |
| 5 | K | 89.8 | Confident | 91.1 | Very high | 129 Ų | 129 | 120.1 Ų | 120.1 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -43.1 | 176.3 | -172.6 | 172.5 | -178.7 | 174.6 | 0 | 110 | D2 S3 E7 F8 W9 | D2-K5 HydrophobicContact CB-CB 4.22Å; D2-K5 WeakPolarHBondContact O-CB 2.93Å; D2-K5 PolarHBondContact O-N 2.93Å; D2-K5 VanDerWaalsContact O-N 3.14Å; S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.14Å; K5-E7 VanDerWaalsContact C-N 3.35Å; K5-E7 PolarHBondContact O-N 3.1Å; K5-F8 WeakPolarHBondContact O-CB 3.49Å; K5-F8 PolarHBondContact O-N 3.34Å; K5-W9 PolarHBondContact O-N 3.18Å; K5-W9 VanDerWaalsContact O-N 3.08Å |
| 6 | Q | 88.5 | Confident | 91.4 | Very high | 117 Ų | 117 | 118.4 Ų | 118.4 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -39.8 | 177.4 | -172.8 | -178.7 | -9.6 | 0 | 0 | 112.6 | D2 S3 Q4 W9 K10 | D2-Q6 PolarHBondContact O-N 3.12Å; S3-Q6 WeakPolarHBondContact O-CB 3.34Å; S3-Q6 PolarHBondContact O-N 3.02Å; S3-Q6 VanDerWaalsContact O-N 3.11Å; Q4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-W9 PolarHBondContact O-N 3.23Å; Q6-K10 WeakPolarHBondContact O-CG 3.39Å; Q6-K10 PolarHBondContact O-N 3.15Å; Q6-K10 VanDerWaalsContact O-N 3.09Å |
| 7 | E | 95.4 | Very high | 91.5 | Very high | 117 Ų | 117 | 118.7 Ų | 118.7 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 175 | -73.3 | 173.8 | 177.5 | 0 | 0 | 111.7 | S3 Q4 K5 W9 K10 E11 | S3-E7 WeakPolarHBondContact O-CG 3.4Å; S3-E7 PolarHBondContact O-N 3.31Å; Q4-E7 PolarHBondContact O-N 3.15Å; K5-E7 VanDerWaalsContact C-N 3.35Å; K5-E7 PolarHBondContact O-N 3.1Å; E7-W9 VanDerWaalsContact C-N 3.34Å; E7-W9 PolarHBondContact O-N 3.44Å; E7-K10 WeakPolarHBondContact O-CB 3.06Å; E7-K10 PolarHBondContact O-N 3.03Å; E7-K10 VanDerWaalsContact O-N 3.14Å; E7-E11 PolarHBondContact O-N 2.99Å |
| 8 | F | 95.4 | Very high | 91.7 | Very high | 137 Ų | 137 | 117.4 Ų | 117.4 | 60% | 0.601 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.7 | -45.4 | 175 | 179.4 | -96.7 | 0 | 0 | 0 | 112.4 | Q4 K5 K10 E11 A12 | Q4-F8 WeakPolarHBondContact O-CB 3.47Å; Q4-F8 PolarHBondContact O-N 3.46Å; K5-F8 WeakPolarHBondContact O-CB 3.49Å; K5-F8 PolarHBondContact O-N 3.34Å; F8-K10 PolarHBondContact O-N 3.04Å; F8-E11 PolarHBondContact O-N 3.11Å; F8-A12 WeakPolarHBondContact O-CB 3.33Å; F8-A12 PolarHBondContact O-N 2.87Å |
| 9 | W | 90.9 | Very high | 91.8 | Very high | 151 Ų | 151 | 116.4 Ų | 116.4 | 57% | 0.572 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 176.4 | -71.7 | 109.4 | 0 | 0 | 0 | 112.4 | K5 Q6 E7 A12 I13 | K5-W9 PolarHBondContact O-N 3.18Å; K5-W9 VanDerWaalsContact O-N 3.08Å; Q6-W9 PolarHBondContact O-N 3.23Å; E7-W9 VanDerWaalsContact C-N 3.34Å; E7-W9 PolarHBondContact O-N 3.44Å; W9-A12 PolarHBondContact O-N 2.83Å; W9-I13 WeakPolarHBondContact O-CB 3.14Å; W9-I13 WeakPolarHBondContact O-CD1 3.39Å; W9-I13 VanDerWaalsContact O-CG1 3.23Å; W9-I13 WeakPolarHBondContact O-CG1 3.49Å; W9-I13 PolarHBondContact O-N 3.32Å |
| 10 | K | 96.1 | Very high | 91.5 | Very high | 115 Ų | 115 | 117.1 Ų | 117.1 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.9 | -46.3 | 176.2 | -73.7 | 172.4 | -179.3 | 174.1 | 0 | 111 | Q6 E7 F8 I13 L14 | Q6-K10 WeakPolarHBondContact O-CG 3.39Å; Q6-K10 PolarHBondContact O-N 3.15Å; Q6-K10 VanDerWaalsContact O-N 3.09Å; E7-K10 WeakPolarHBondContact O-CB 3.06Å; E7-K10 PolarHBondContact O-N 3.03Å; E7-K10 VanDerWaalsContact O-N 3.14Å; F8-K10 PolarHBondContact O-N 3.04Å; K10-I13 PolarHBondContact O-N 3.01Å; K10-L14 WeakPolarHBondContact O-CG 3.31Å; K10-L14 PolarHBondContact O-N 3.03Å |
| 11 | E | 96.8 | Very high | 91.5 | Very high | 105 Ų | 105 | 117 Ų | 117 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -44.3 | 177.2 | -74.5 | -166.7 | -173.1 | 0 | 0 | 112.7 | E7 F8 I13 L14 K15 | E7-E11 PolarHBondContact O-N 2.99Å; F8-E11 PolarHBondContact O-N 3.11Å; E11-I13 VanDerWaalsContact C-N 3.32Å; E11-I13 PolarHBondContact O-N 3Å; E11-L14 PolarHBondContact O-N 3.17Å; E11-K15 WeakPolarHBondContact O-CB 3.22Å; E11-K15 WeakPolarHBondContact O-CG 3.36Å; E11-K15 PolarHBondContact O-N 2.82Å; E11-K15 IonicContact OE2-NZ 3.23Å; E11-K15 PolarHBondContact OE2-NZ 3.08Å |
| 12 | A | 95.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 110 Ų | 110 | 33% | 0.331 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F8 W9 L14 K15 E16 | F8-A12 WeakPolarHBondContact O-CB 3.33Å; F8-A12 PolarHBondContact O-N 2.87Å; W9-A12 PolarHBondContact O-N 2.83Å; A12-L14 PolarHBondContact O-N 3.17Å; A12-K15 PolarHBondContact O-N 3.46Å; A12-E16 WeakPolarHBondContact O-CB 3.35Å; A12-E16 PolarHBondContact O-N 3.5Å |
| 13 | I | 95.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 111.5 Ų | 111.5 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.4 | -68.5 | 165.5 | 0 | 0 | 0 | 111.3 | W9 K10 E11 E16 K17 | W9-I13 WeakPolarHBondContact O-CB 3.14Å; W9-I13 WeakPolarHBondContact O-CD1 3.39Å; W9-I13 VanDerWaalsContact O-CG1 3.23Å; W9-I13 WeakPolarHBondContact O-CG1 3.49Å; W9-I13 PolarHBondContact O-N 3.32Å; K10-I13 PolarHBondContact O-N 3.01Å; E11-I13 VanDerWaalsContact C-N 3.32Å; E11-I13 PolarHBondContact O-N 3Å; I13-E16 PolarHBondContact O-N 3.22Å; I13-K17 HydrophobicContact CG2-CD 4.19Å; I13-K17 VanDerWaalsContact O-CG 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.25Å; I13-K17 PolarHBondContact O-N 3.35Å |
| 14 | L | 96.9 | Very high | 92.5 | Very high | 103 Ų | 103 | 112.4 Ų | 112.4 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 178.6 | -74.3 | 173.1 | 0 | 0 | 0 | 111.7 | K10 E11 A12 K17 I18 | K10-L14 WeakPolarHBondContact O-CG 3.31Å; K10-L14 PolarHBondContact O-N 3.03Å; E11-L14 PolarHBondContact O-N 3.17Å; A12-L14 PolarHBondContact O-N 3.17Å; L14-K17 PolarHBondContact O-N 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.43Å |
| 15 | K | 97.2 | Very high | 92.1 | Very high | 126 Ų | 126 | 113 Ų | 113 | 55% | 0.548 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.7 | -73.6 | 169 | -177 | 160.7 | 0 | 111 | E11 A12 K17 I18 V19 | E11-K15 WeakPolarHBondContact O-CB 3.22Å; E11-K15 WeakPolarHBondContact O-CG 3.36Å; E11-K15 PolarHBondContact O-N 2.82Å; E11-K15 IonicContact OE2-NZ 3.23Å; E11-K15 PolarHBondContact OE2-NZ 3.08Å; A12-K15 PolarHBondContact O-N 3.46Å; K15-K17 PolarHBondContact O-N 3.08Å; K15-I18 PolarHBondContact O-N 2.92Å; K15-V19 VanDerWaalsContact O-CG2 3.31Å; K15-V19 WeakPolarHBondContact O-CG2 3.34Å; K15-V19 PolarHBondContact O-N 2.89Å |
| 16 | E | 95.8 | Very high | 91.6 | Very high | 93 Ų | 93 | 111 Ų | 111 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.1 | -170.3 | -172.8 | 175.3 | 0 | 0 | 112.1 | A12 I13 I18 V19 R20 | A12-E16 WeakPolarHBondContact O-CB 3.35Å; A12-E16 PolarHBondContact O-N 3.5Å; I13-E16 PolarHBondContact O-N 3.22Å; E16-I18 PolarHBondContact O-N 3.11Å; E16-V19 PolarHBondContact O-N 3.34Å; E16-R20 WeakPolarHBondContact O-CB 3.36Å; E16-R20 WeakPolarHBondContact O-CG 3.35Å; E16-R20 PolarHBondContact O-N 2.88Å; E16-R20 IonicContact OE1-CZ 3.01Å; E16-R20 IonicContact OE1-NE 3.38Å; E16-R20 PolarHBondContact OE1-NE 2.73Å; E16-R20 IonicContact OE1-NH1 3.76Å; E16-R20 IonicContact OE1-NH2 2.6Å; E16-R20 PolarHBondContact OE1-NH2 3.08Å |
| 17 | K | 93.3 | Very high | 91 | Very high | 123 Ų | 123 | 108 Ų | 108 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.7 | -76.5 | 176.2 | 179.1 | -179.6 | 0 | 112.1 | I13 L14 K15 R20 L21 | I13-K17 HydrophobicContact CG2-CD 4.19Å; I13-K17 VanDerWaalsContact O-CG 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.25Å; I13-K17 PolarHBondContact O-N 3.35Å; L14-K17 PolarHBondContact O-N 3.27Å; K15-K17 PolarHBondContact O-N 3.08Å; K17-R20 PolarHBondContact O-N 2.95Å; K17-L21 WeakPolarHBondContact O-CG 3.25Å; K17-L21 PolarHBondContact O-N 3.01Å |
| 18 | I | 95.2 | Very high | 89.5 | Confident | 96 Ų | 96 | 111 Ų | 111 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 178.9 | -68.2 | 165.1 | 0 | 0 | 0 | 110.7 | L14 K15 E16 R20 L21 N22 | L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.43Å; K15-I18 PolarHBondContact O-N 2.92Å; E16-I18 PolarHBondContact O-N 3.11Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 3.06Å; I18-L21 PolarHBondContact O-N 3.35Å; I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.32Å; I18-N22 PolarHBondContact O-N 3.41Å |
| 19 | V | 93.1 | Very high | 88 | Confident | 97 Ų | 97 | 110 Ų | 110 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | K15 E16 N22 W23 | K15-V19 VanDerWaalsContact O-CG2 3.31Å; K15-V19 WeakPolarHBondContact O-CG2 3.34Å; K15-V19 PolarHBondContact O-N 2.89Å; E16-V19 PolarHBondContact O-N 3.34Å; V19-N22 PolarHBondContact O-N 3.09Å; V19-W23 WeakPolarHBondContact O-CB 3.09Å; V19-W23 PolarHBondContact O-N 2.88Å |
| 20 | R | 87.6 | Confident | 86.3 | Confident | 130 Ų | 130 | 109 Ų | 109 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.9 | -75.7 | 180 | 177.6 | 178.2 | 0.8 | 112.4 | E16 K17 I18 W23 F24 | E16-R20 WeakPolarHBondContact O-CB 3.36Å; E16-R20 WeakPolarHBondContact O-CG 3.35Å; E16-R20 PolarHBondContact O-N 2.88Å; E16-R20 IonicContact OE1-CZ 3.01Å; E16-R20 IonicContact OE1-NE 3.38Å; E16-R20 PolarHBondContact OE1-NE 2.73Å; E16-R20 IonicContact OE1-NH1 3.76Å; E16-R20 IonicContact OE1-NH2 2.6Å; E16-R20 PolarHBondContact OE1-NH2 3.08Å; K17-R20 PolarHBondContact O-N 2.95Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 3.06Å; R20-W23 PolarHBondContact O-N 3.24Å; R20-F24 VanDerWaalsContact O-CB 3.29Å; R20-F24 WeakPolarHBondContact O-CB 3.36Å; R20-F24 PolarHBondContact O-N 3.16Å |
| 21 | L | 89.7 | Confident | 84.2 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 177.5 | -74.8 | 173.1 | 0 | 0 | 0 | 112 | K17 I18 F24 R25 | K17-L21 WeakPolarHBondContact O-CG 3.25Å; K17-L21 PolarHBondContact O-N 3.01Å; I18-L21 PolarHBondContact O-N 3.35Å; L21-F24 PolarHBondContact O-N 3.41Å; L21-R25 WeakPolarHBondContact O-CB 3.28Å; L21-R25 PolarHBondContact O-N 3.24Å |
| 22 | N | 87.9 | Confident | 82.4 | Confident | 85 Ų | 85 | 111 Ų | 111 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.2 | -71.5 | -17.1 | 0 | 0 | 0 | 111.2 | I18 V19 F24 R25 D26 | I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.32Å; I18-N22 PolarHBondContact O-N 3.41Å; V19-N22 PolarHBondContact O-N 3.09Å; N22-F24 VanDerWaalsContact C-N 3.32Å; N22-F24 PolarHBondContact O-N 2.96Å; N22-R25 PolarHBondContact O-N 3.17Å; N22-D26 PolarHBondContact O-N 3.11Å |
| 23 | W | 88.4 | Confident | 80.4 | Confident | 153 Ų | 153 | 116.2 Ų | 116.2 | 58% | 0.58 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.5 | -43.6 | 176.5 | -176.2 | 93.9 | 0 | 0 | 0 | 112 | V19 R20 D26 N27 | V19-W23 WeakPolarHBondContact O-CB 3.09Å; V19-W23 PolarHBondContact O-N 2.88Å; R20-W23 PolarHBondContact O-N 3.24Å; W23-D26 PolarHBondContact O-N 3.29Å; W23-N27 HydrophobicContact CD2-CB 4.34Å; W23-N27 HydrophobicContact CE3-CB 4.43Å; W23-N27 HydrophobicContact CH2-CB 4.13Å; W23-N27 HydrophobicContact CZ2-CB 4.04Å; W23-N27 HydrophobicContact CZ3-CB 4.32Å; W23-N27 PolarHBondContact NE1-ND2 3.27Å; W23-N27 WeakPolarHBondContact O-CB 3.13Å; W23-N27 PolarHBondContact O-N 2.95Å; W23-N27 PolarHBondContact O-ND2 2.8Å |
| 24 | F | 84 | Confident | 78.5 | Confident | 95 Ų | 95 | 118.6 Ų | 118.6 | 42% | 0.417 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 177.9 | -178.8 | -95.6 | 0 | 0 | 0 | 111.7 | R20 L21 N22 D26 N27 W28 | R20-F24 VanDerWaalsContact O-CB 3.29Å; R20-F24 WeakPolarHBondContact O-CB 3.36Å; R20-F24 PolarHBondContact O-N 3.16Å; L21-F24 PolarHBondContact O-N 3.41Å; N22-F24 VanDerWaalsContact C-N 3.32Å; N22-F24 PolarHBondContact O-N 2.96Å; F24-D26 VanDerWaalsContact C-N 3.28Å; F24-D26 PolarHBondContact O-N 3.42Å; F24-N27 PolarHBondContact O-N 3.03Å; F24-W28 HydrophobicContact CD1-CB 4.39Å; F24-W28 HydrophobicContact CD2-CB 3.74Å; F24-W28 HydrophobicContact CD2-CD2 4.29Å; F24-W28 AromaticContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CE1-CB 4.27Å; F24-W28 HydrophobicContact CE1-CG 4.46Å; F24-W28 HydrophobicContact CE2-CB 3.6Å; F24-W28 AromaticContact CE2-CD1 3.73Å; F24-W28 AromaticContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CE3 4.2Å; F24-W28 AromaticContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CG-CB 4.14Å; F24-W28 HydrophobicContact CZ-CB 3.88Å; F24-W28 AromaticContact CZ-CD1 3.58Å; F24-W28 HydrophobicContact CZ-CD2 4.3Å; F24-W28 AromaticContact CZ-CG 3.64Å; F24-W28 HydrophobicContact CZ-CG 3.64Å; F24-W28 WeakPolarHBondContact O-CA 3.47Å; F24-W28 WeakPolarHBondContact O-CB 3.45Å; F24-W28 PolarHBondContact O-N 3.45Å |
| 25 | R | 80.3 | Confident | 76.4 | Confident | 166 Ų | 166 | 122.4 Ų | 122.4 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56.4 | -43.8 | 174.9 | -179.2 | -179.3 | -178.6 | 176.6 | 0.2 | 111.6 | L21 N22 I29 | L21-R25 WeakPolarHBondContact O-CB 3.28Å; L21-R25 PolarHBondContact O-N 3.24Å; N22-R25 PolarHBondContact O-N 3.17Å; R25-I29 HydrophobicContact CB-CD1 4.46Å; R25-I29 HydrophobicContact CG-CD1 4.21Å; R25-I29 WeakPolarHBondContact O-CB 3.38Å |
| 26 | D | 79.8 | Confident | 74.2 | Confident | 87 Ų | 87 | 126 Ų | 126 | 47% | 0.465 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.8 | -32.4 | -175.8 | -74.8 | -33.5 | 0 | 0 | 0 | 114.1 | N22 W23 F24 K30 | N22-D26 PolarHBondContact O-N 3.11Å; W23-D26 PolarHBondContact O-N 3.29Å; F24-D26 VanDerWaalsContact C-N 3.28Å; F24-D26 PolarHBondContact O-N 3.42Å; D26-K30 IonicContact OD1-NZ 3.67Å |
| 27 | N | 75.1 | Confident | 71.9 | Confident | 54 Ų | 54 | 128 Ų | 128 | 29% | 0.289 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -100.7 | -24.8 | -174.9 | -70.7 | -84.6 | 0 | 0 | 0 | 114.5 | W23 F24 | W23-N27 HydrophobicContact CD2-CB 4.34Å; W23-N27 HydrophobicContact CE3-CB 4.43Å; W23-N27 HydrophobicContact CH2-CB 4.13Å; W23-N27 HydrophobicContact CZ2-CB 4.04Å; W23-N27 HydrophobicContact CZ3-CB 4.32Å; W23-N27 PolarHBondContact NE1-ND2 3.27Å; W23-N27 WeakPolarHBondContact O-CB 3.13Å; W23-N27 PolarHBondContact O-N 2.95Å; W23-N27 PolarHBondContact O-ND2 2.8Å; F24-N27 PolarHBondContact O-N 3.03Å |
| 28 | W | 65.1 | Low | 70 | Confident | 180 Ų | 180 | 125.3 Ų | 125.3 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -104.6 | -36.5 | -173 | -154.5 | -82.1 | 0 | 0 | 0 | 113.4 | F24 | F24-W28 HydrophobicContact CD1-CB 4.39Å; F24-W28 HydrophobicContact CD2-CB 3.74Å; F24-W28 HydrophobicContact CD2-CD2 4.29Å; F24-W28 AromaticContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CD2-CG 3.97Å; F24-W28 HydrophobicContact CE1-CB 4.27Å; F24-W28 HydrophobicContact CE1-CG 4.46Å; F24-W28 HydrophobicContact CE2-CB 3.6Å; F24-W28 AromaticContact CE2-CD1 3.73Å; F24-W28 AromaticContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CD2 3.65Å; F24-W28 HydrophobicContact CE2-CE3 4.2Å; F24-W28 AromaticContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CE2-CG 3.35Å; F24-W28 HydrophobicContact CG-CB 4.14Å; F24-W28 HydrophobicContact CZ-CB 3.88Å; F24-W28 AromaticContact CZ-CD1 3.58Å; F24-W28 HydrophobicContact CZ-CD2 4.3Å; F24-W28 AromaticContact CZ-CG 3.64Å; F24-W28 HydrophobicContact CZ-CG 3.64Å; F24-W28 WeakPolarHBondContact O-CA 3.47Å; F24-W28 WeakPolarHBondContact O-CB 3.45Å; F24-W28 PolarHBondContact O-N 3.45Å |
| 29 | I | 63 | Low | 68 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -79.2 | -27.4 | -179.6 | -59.3 | 179.2 | 0 | 0 | 0 | 111.5 | R25 P31 | R25-I29 HydrophobicContact CB-CD1 4.46Å; R25-I29 HydrophobicContact CG-CD1 4.21Å; R25-I29 WeakPolarHBondContact O-CB 3.38Å; I29-P31 WeakPolarHBondContact O-CD 3.21Å |
| 30 | K | 56.1 | Low | 66.2 | Low | 129 Ų | 129 | 134.6 Ų | 134.6 | 56% | 0.561 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -90.9 | 103.4 | 171.7 | -60.2 | 178.7 | -172.2 | 165.1 | 0 | 106.9 | D26 K32 | D26-K30 IonicContact OD1-NZ 3.67Å; K30-K32 PolarHBondContact O-N 3.27Å |
| 31 | P | 52.2 | Low | 64.7 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | trans | -54.4 | 118.4 | 161.1 | 24.4 | -30.9 | 0 | 0 | 0 | 105 | I29 L33 | I29-P31 WeakPolarHBondContact O-CD 3.21Å; P31-L33 PolarHBondContact O-N 3.39Å | ||
| 32 | K | 58.2 | Low | 63.3 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 70% | 0.704 | 68% | 0.68 | S | S | * | * | trans | -61.7 | 88.5 | 163.4 | -69.8 | 179.1 | -174.9 | 171.8 | 0 | 104.1 | K30 V34 | K30-K32 PolarHBondContact O-N 3.27Å; K32-V34 PolarHBondContact O-N 3.06Å | ||
| 33 | L | 54.9 | Low | 61.9 | Low | 150 Ų | 150 | 142 Ų | 142 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -54.8 | 99.7 | 158.3 | -72.7 | 171.1 | 0 | 0 | 0 | 102.4 | P31 K35 | P31-L33 PolarHBondContact O-N 3.39Å; L33-K35 PolarHBondContact O-N 2.76Å | ||
| 34 | V | 54.8 | Low | 60.8 | Low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -51.6 | 104.9 | 168.3 | 175.6 | 0 | 0 | 0 | 0 | 102.8 | K32 K36 | K32-V34 PolarHBondContact O-N 3.06Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.23Å | ||
| 35 | K | 51.8 | Low | 59.8 | Low | 182 Ų | 182 | 147.4 Ų | 147.4 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -54.8 | 112.6 | 169 | -73.1 | -176.4 | 178.3 | -179.3 | 0 | 102.6 | L33 V37 | L33-K35 PolarHBondContact O-N 2.76Å; K35-V37 PolarHBondContact O-N 3.37Å | ||
| 36 | K | 51.1 | Low | 59 | Low | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | trans | -52.4 | 101.6 | 166.5 | -86.3 | -174.5 | 173.4 | -178.1 | 0 | 104.3 | V34 G38 | V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.23Å; K36-G38 VanDerWaalsContact C-N 3.32Å; K36-G38 PolarHBondContact O-N 3.43Å | ||
| 37 | V | 49 | Very low | 58.4 | Low | 135 Ų | 135 | 149.1 Ų | 149.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -61.7 | 108.8 | 169.3 | 172.5 | 0 | 0 | 0 | 0 | 102.7 | K35 E39 | K35-V37 PolarHBondContact O-N 3.37Å; V37-E39 PolarHBondContact O-N 3.5Å | ||
| 38 | G | 52.1 | Low | 57.8 | Low | 66 Ų | 66 | 153.5 Ų | 153.5 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | -52.7 | 117.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | K36 K40 | K36-G38 VanDerWaalsContact C-N 3.32Å; K36-G38 PolarHBondContact O-N 3.43Å; G38-K40 PolarHBondContact O-N 3.22Å | ||
| 39 | E | 54.4 | Low | 57.8 | Low | 183 Ų | 183 | 151.5 Ų | 151.5 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -54.5 | 122.8 | 166 | -76.1 | 174.1 | 126 | 0 | 0 | 108.9 | V37 | V37-E39 PolarHBondContact O-N 3.5Š| ||
| 40 | K | 54.9 | Low | 57.9 | Low | 206 Ų | 206 | 153.8 Ų | 153.8 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | trans | -142.1 | 76.7 | 143.7 | -70.9 | -157.8 | -179.4 | -173.9 | 0 | 110 | G38 | G38-K40 PolarHBondContact O-N 3.22Š| ||
| 41 | R | 55 | Low | 57.9 | Low | 228 Ų | 228 | 153.6 Ų | 153.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -137.3 | 111.5 | 146.4 | -68.2 | -168.6 | -177.4 | 166.6 | 1.5 | 107.2 | M43 | R41-M43 PolarHBondContact O-N 3.36Š|
| 42 | G | 60.3 | Low | 58.1 | Low | 88 Ų | 88 | 158 Ų | 158 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -67.6 | 86.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 43 | M | 58.7 | Low | 58 | Low | 172 Ų | 172 | 161.8 Ų | 161.8 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | -97.9 | 103.9 | 158.9 | -64.8 | -170.1 | -168.4 | 0 | 0 | 107.4 | R41 L45 | R41-M43 PolarHBondContact O-N 3.36Å; M43-L45 PolarHBondContact O-N 3.46Å | ||
| 44 | K | 65.3 | Low | 58.2 | Low | 208 Ų | 208 | 163.5 Ų | 163.5 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 105.1 | 167 | -67.8 | -167.8 | 179 | -173.8 | 0 | 107.3 | ||||
| 45 | L | 63.7 | Low | 58.5 | Low | 153 Ų | 153 | 161.9 Ų | 161.9 | 80% | 0.801 | 83% | 0.825 | S | S | * | * | trans | -64.4 | 141.3 | 169.5 | -74.6 | 145.7 | 0 | 0 | 0 | 109.1 | M43 Q47 | M43-L45 PolarHBondContact O-N 3.46Å; L45-Q47 PolarHBondContact O-N 3.09Å | ||
| 46 | P | 63.8 | Low | 58.9 | Low | 113 Ų | 113 | 162.2 Ų | 162.2 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -62.3 | 135.4 | 176.6 | 25.2 | -32.1 | 0 | 0 | 0 | 110.3 | I48 | P46-I48 PolarHBondContact O-N 3.45Š| ||
| 47 | Q | 66 | Low | 58.8 | Low | 175 Ų | 175 | 158.3 Ų | 158.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -77.8 | 108.6 | -176.5 | -158.2 | 172.3 | -7.3 | 0 | 0 | 109.1 | L45 N49 | L45-Q47 PolarHBondContact O-N 3.09Å; Q47-N49 PolarHBondContact O-N 3.06Å | ||
| 48 | I | 64.3 | Low | 59.2 | Low | 146 Ų | 146 | 159.8 Ų | 159.8 | 75% | 0.749 | 82% | 0.824 | S | S | * | * | trans | -77.9 | 112.6 | 170.3 | -63.1 | 170.8 | 0 | 0 | 0 | 106.7 | P46 E50 | P46-I48 PolarHBondContact O-N 3.45Å; I48-E50 HydrophobicContact CG2-CG 4.37Å; I48-E50 PolarHBondContact O-N 3.25Å; I48-E50 VanDerWaalsContact O-N 3.07Å | ||
| 49 | N | 65.4 | Low | 59 | Low | 139 Ų | 139 | 165.7 Ų | 165.7 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | -75.5 | 93.8 | 172.9 | -70 | -17.3 | 0 | 0 | 0 | 108.6 | Q47 | Q47-N49 PolarHBondContact O-N 3.06Š| ||
| 50 | E | 64.4 | Low | 58.4 | Low | 163 Ų | 163 | 163.1 Ų | 163.1 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -70.2 | 132.7 | 166.3 | -65.9 | -174.8 | 174.3 | 0 | 0 | 109 | I48 Q52 | I48-E50 HydrophobicContact CG2-CG 4.37Å; I48-E50 PolarHBondContact O-N 3.25Å; I48-E50 VanDerWaalsContact O-N 3.07Å; E50-Q52 PolarHBondContact O-N 2.88Å | ||
| 51 | P | 55.9 | Low | 58.2 | Low | 125 Ų | 125 | 161 Ų | 161 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -60.6 | 128.7 | 174.2 | 24.3 | -31.2 | 0 | 0 | 0 | 109 | R53 | P51-R53 PolarHBondContact O-N 2.85Š| ||
| 52 | Q | 55.6 | Low | 57.5 | Low | 195 Ų | 195 | 155.3 Ų | 155.3 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -56 | 102.4 | 179.5 | -76.7 | -175.5 | -33.4 | 0 | 0 | 109.8 | E50 E54 | E50-Q52 PolarHBondContact O-N 2.88Å; Q52-E54 PolarHBondContact O-N 2.7Å | ||
| 53 | R | 57.6 | Low | 56.9 | Low | 241 Ų | 241 | 161.4 Ų | 161.4 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -73.9 | 109.6 | 165.6 | -143.5 | 179.1 | -160.7 | 178 | 5.6 | 106 | P51 A55 | P51-R53 PolarHBondContact O-N 2.85Å; R53-A55 PolarHBondContact O-N 2.67Å | ||
| 54 | E | 58.4 | Low | 55.9 | Low | 185 Ų | 185 | 159.7 Ų | 159.7 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -50.7 | 110.9 | 175.4 | -65.9 | -178.3 | 178.9 | 0 | 0 | 109.5 | Q52 K56 | Q52-E54 PolarHBondContact O-N 2.7Å; E54-K56 PolarHBondContact O-N 2.82Å | ||
| 55 | A | 60.4 | Low | 54.9 | Low | 95 Ų | 95 | 153.4 Ų | 153.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -69.6 | 105.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108 | R53 | R53-A55 PolarHBondContact O-N 2.67Š| ||
| 56 | K | 59.8 | Low | 53.8 | Low | 188 Ų | 188 | 149.6 Ų | 149.6 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129.5 | 164.7 | -67.2 | -176.8 | -179.8 | -176.8 | 0 | 107.5 | E54 L58 | E54-K56 PolarHBondContact O-N 2.82Å; K56-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact O-N 3.16Å |
| 57 | P | 50.5 | Low | 52.7 | Low | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 124.6 | -177.3 | 21.6 | -30.9 | 0 | 0 | 0 | 109.5 | K59 | P57-K59 PolarHBondContact O-N 2.69Å; P57-K59 VanDerWaalsContact O-N 3.15Å |
| 58 | L | 56 | Low | 51.6 | Low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 119.1 | 169.9 | -84.6 | 97.3 | 0 | 0 | 0 | 107.6 | K56 T60 | K56-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact O-N 3.16Å; L58-T60 PolarHBondContact O-N 3Å |
| 59 | K | 48.8 | Very low | 50.7 | Low | 190 Ų | 190 | 151.8 Ų | 151.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -56.5 | 112.3 | 166 | -66 | 179.1 | -179.7 | -178 | 0 | 107.1 | P57 L61 | P57-K59 PolarHBondContact O-N 2.69Å; P57-K59 VanDerWaalsContact O-N 3.15Å; K59-L61 PolarHBondContact O-N 3.27Å | ||
| 60 | T | 41.4 | Very low | 49.8 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -57.2 | 107.9 | 164.2 | 33.3 | 0 | 0 | 0 | 0 | 107.3 | L58 T62 | L58-T60 PolarHBondContact O-N 3Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 3.46Å | ||
| 61 | L | 50.8 | Low | 49.3 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -68.6 | 98.6 | 165.1 | -70.2 | 167.9 | 0 | 0 | 0 | 106.3 | K59 R63 | K59-L61 PolarHBondContact O-N 3.27Å; L61-R63 PolarHBondContact O-N 3.36Å; L61-R63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | T | 40.8 | Very low | 49 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | trans | -50.5 | 115.1 | 157.3 | 29.1 | 0 | 0 | 0 | 0 | 107 | T60 D64 | T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 3.46Å; T62-D64 PolarHBondContact O-N 3.25Å | ||
| 63 | R | 46.4 | Very low | 49 | Very low | 217 Ų | 217 | 154 Ų | 154 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -77.8 | 76.3 | 178.4 | -164 | 179.8 | -165.7 | 164.1 | 3 | 107.4 | L61 G65 | L61-R63 PolarHBondContact O-N 3.36Å; L61-R63 VanDerWaalsContact O-N 3.11Å; R63-G65 PolarHBondContact O-N 3.32Å; R63-G65 VanDerWaalsContact O-N 3.14Å | ||
| 64 | D | 37.8 | Very low | 48.8 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -65.2 | 112.1 | 169.3 | -65.6 | -32.7 | 0 | 0 | 0 | 108.2 | T62 A66 | T62-D64 PolarHBondContact O-N 3.25Å; D64-A66 PolarHBondContact O-N 2.84Å | ||
| 65 | G | 45.6 | Very low | 48.6 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 59.1 | 24.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | R63 Q67 | R63-G65 PolarHBondContact O-N 3.32Å; R63-G65 VanDerWaalsContact O-N 3.14Å; G65-Q67 PolarHBondContact O-N 3.32Å; G65-Q67 VanDerWaalsContact O-N 3.14Å | ||
| 66 | A | 39.1 | Very low | 48.4 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 91.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | D64 V68 | D64-A66 PolarHBondContact O-N 2.84Å; A66-V68 VanDerWaalsContact C-N 3.35Å; A66-V68 PolarHBondContact O-N 3.14Å | ||
| 67 | Q | 41.6 | Very low | 48.3 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -52.1 | 103.3 | 167.7 | -70.1 | -157 | -8.8 | 0 | 0 | 108.6 | G65 K69 | G65-Q67 PolarHBondContact O-N 3.32Å; G65-Q67 VanDerWaalsContact O-N 3.14Å; Q67-K69 PolarHBondContact O-N 3.07Å | ||
| 68 | V | 42.5 | Very low | 49.2 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -63.5 | 96.7 | 163.2 | 178.8 | 0 | 0 | 0 | 0 | 103.8 | A66 S70 | A66-V68 VanDerWaalsContact C-N 3.35Å; A66-V68 PolarHBondContact O-N 3.14Å; V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 3.23Å | ||
| 69 | K | 46.7 | Very low | 50.3 | Low | 182 Ų | 182 | 140.9 Ų | 140.9 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -53.8 | 105.4 | 162.1 | -73.4 | -176.7 | 178.4 | -178.9 | 0 | 104.6 | Q67 R71 | Q67-K69 PolarHBondContact O-N 3.07Å; K69-R71 PolarHBondContact O-N 3.4Å | ||
| 70 | S | 45.5 | Very low | 52.1 | Low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -57.6 | 87.6 | 168.4 | 49.5 | 0 | 0 | 0 | 0 | 106 | V68 D72 | V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 3.23Å; S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.08Å | ||
| 71 | R | 54.4 | Low | 54.3 | Low | 229 Ų | 229 | 134.2 Ų | 134.2 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | trans | -61.3 | 113 | 164.7 | -81.4 | -179 | 171.4 | 164.8 | -1.2 | 103.8 | K69 E73 | K69-R71 PolarHBondContact O-N 3.4Å; R71-E73 PolarHBondContact O-N 2.77Å | ||
| 72 | D | 50.3 | Low | 56.1 | Low | 145 Ų | 145 | 132.1 Ų | 132.1 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | -36.2 | 117.7 | 177.2 | -62.4 | -53.7 | 0 | 0 | 0 | 109.7 | S70 K74 | S70-D72 PolarHBondContact O-N 3.35Å; S70-D72 VanDerWaalsContact O-N 3.08Å; D72-K74 PolarHBondContact O-N 3.16Å | ||
| 73 | E | 54.2 | Low | 58.3 | Low | 191 Ų | 191 | 129.5 Ų | 129.5 | 89% | 0.893 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -70.7 | 35.5 | -177.9 | -63.7 | -179 | 163.1 | 0 | 0 | 112 | R71 V75 | R71-E73 PolarHBondContact O-N 2.77Å; E73-V75 PolarHBondContact O-N 3.23Å |
| 74 | K | 53.6 | Low | 60.4 | Low | 189 Ų | 189 | 121.6 Ų | 121.6 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | trans | -71.9 | 90.5 | 145.8 | -87.3 | -178.7 | 179.4 | -177.3 | 0 | 105 | D72 L76 | D72-K74 PolarHBondContact O-N 3.16Å; K74-L76 PolarHBondContact O-N 3.29Å | ||
| 75 | V | 55.2 | Low | 62.9 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 72% | 0.721 | 64% | 0.637 | S | S | * | * | trans | -53.1 | 90.2 | 156.2 | -178.5 | 0 | 0 | 0 | 0 | 104.9 | E73 I77 | E73-V75 PolarHBondContact O-N 3.23Å; V75-I77 HydrophobicContact CG1-CG1 3.94Å; V75-I77 PolarHBondContact O-N 3.45Å | ||
| 76 | L | 54.8 | Low | 65 | Low | 146 Ų | 146 | 121 Ų | 121 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | trans | -64.5 | 97.3 | 166.7 | -165.6 | 83 | 0 | 0 | 0 | 101.7 | K74 D78 | K74-L76 PolarHBondContact O-N 3.29Å; L76-D78 HydrophobicContact CD2-CB 4.43Å; L76-D78 PolarHBondContact O-N 2.68Å | ||
| 77 | I | 57.6 | Low | 67.5 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | trans | -67.7 | 77.8 | 170.5 | -56.6 | 170.4 | 0 | 0 | 0 | 103.9 | V75 | V75-I77 HydrophobicContact CG1-CG1 3.94Å; V75-I77 PolarHBondContact O-N 3.45Å | ||
| 78 | D | 70.4 | Confident | 69.9 | Low | 85 Ų | 85 | 116 Ų | 116 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | trans | -72.1 | 139.8 | 173.1 | -168.9 | 6.2 | 0 | 0 | 0 | 106.8 | L76 M80 | L76-D78 HydrophobicContact CD2-CB 4.43Å; L76-D78 PolarHBondContact O-N 2.68Å; D78-M80 PolarHBondContact O-N 2.83Å | ||
| 79 | V | 79.3 | Confident | 72.3 | Confident | 52 Ų | 52 | 115.9 Ų | 115.9 | 32% | 0.315 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -63.8 | -26.6 | -178.9 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | Y118 L119 Y120 I122 | V79-Y118 HydrophobicContact CG1-CD1 4.41Å; V79-L119 PolarHBondContact O-N 3.24Å; V79-Y120 HydrophobicContact CG1-CE2 4.02Å; V79-I122 HydrophobicContact CG1-CD1 3.47Å; V79-I122 VanDerWaalsContact CG1-CD1 3.47Å; V79-I122 HydrophobicContact CG1-CG1 3.84Å |
| 80 | M | 86.9 | Confident | 74.5 | Confident | 63 Ų | 63 | 109.2 Ų | 109.2 | 31% | 0.31 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -102 | 154.9 | -178.3 | -62.7 | -85.5 | -172.5 | 0 | 0 | 112.6 | D78 K117 Y118 | D78-M80 PolarHBondContact O-N 2.83Å; M80-K117 WeakPolarHBondContact CA-O 3.33Å; M80-Y118 HydrophobicContact CE-CD1 3.84Å; M80-Y118 HydrophobicContact CE-CE1 2.97Å; M80-Y118 WeakPolarHBondContact CE-OH 3.26Å; M80-Y118 HydrophobicContact CG-CD1 4.26Å; M80-Y118 HydrophobicContact CG-CE1 4.24Å; M80-Y118 HydrophobicContact SD-CD1 3.35Å; M80-Y118 WeakPolarHBondContact SD-CD1 3.37Å; M80-Y118 HydrophobicContact SD-CE1 3.09Å; M80-Y118 WeakPolarHBondContact SD-CE1 3.5Å; M80-Y118 HydrophobicContact SD-CE2 4.26Å; M80-Y118 HydrophobicContact SD-CG 4.11Å; M80-Y118 VanDerWaalsContact SD-CZ 3.56Å |
| 81 | R | 87.6 | Confident | 76.7 | Confident | 115 Ų | 115 | 106 Ų | 106 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 150.6 | 166.2 | -67.7 | 170.9 | -175.7 | -84.6 | 4.2 | 110.1 | V83 E115 V116 K117 Y118 | R81-V83 PolarHBondContact O-N 2.91Å; R81-E115 PolarHBondContact NE-O 3.03Å; R81-V116 VanDerWaalsContact CD-O 3.25Å; R81-V116 WeakPolarHBondContact CD-O 3.49Å; R81-K117 PolarHBondContact N-O 3.37Å; R81-Y118 PolarHBondContact NE-O 3.3Å; R81-Y118 VanDerWaalsContact NE-O 3.14Å |
| 82 | P | 88.4 | Confident | 78.4 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 134.8 | 177.4 | 25.6 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 83 | V | 87.2 | Confident | 80.4 | Confident | 53 Ų | 53 | 99.8 Ų | 99.8 | 32% | 0.321 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 140.9 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 110 | R81 T87 R88 | R81-V83 PolarHBondContact O-N 2.91Å; V83-T87 VanDerWaalsContact CG1-CB 3.5Å; V83-T87 HydrophobicContact CG1-CG2 3.5Å; V83-R88 HydrophobicContact CB-CG 4.25Å; V83-R88 HydrophobicContact CG1-CG 4.06Å; V83-R88 PolarHBondContact O-NH1 3.04Å |
| 84 | S | 88.9 | Confident | 82 | Confident | 51 Ų | 51 | 93 Ų | 93 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 153.5 | 174.6 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | E86 T87 R88 | S84-E86 PolarHBondContact O-N 3.19Å; S84-T87 PolarHBondContact O-N 3.18Å; S84-T87 PolarHBondContact OG-OG1 3.47Å; S84-R88 PolarHBondContact O-N 2.7Å; S84-R88 VanDerWaalsContact O-N 3.09Å |
| 85 | G | 90.7 | Very high | 83.4 | Confident | 45 Ų | 45 | 91.6 Ų | 91.6 | 46% | 0.464 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -53.6 | -51.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T87 R88 D89 | G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.14Å; G85-T87 VanDerWaalsContact O-N 3.17Å; G85-R88 CarbonylContact O-C 3.18Å; G85-R88 WeakPolarHBondContact O-CA 3.49Å; G85-R88 VanDerWaalsContact O-CB 3.31Å; G85-R88 WeakPolarHBondContact O-CB 3.26Å; G85-R88 PolarHBondContact O-N 3Å; G85-D89 VanDerWaalsContact O-CG 3.31Å; G85-D89 PolarHBondContact O-N 2.64Å |
| 86 | E | 90.9 | Very high | 84.4 | Confident | 153 Ų | 153 | 88.7 Ų | 88.7 | 72% | 0.715 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -53.3 | -41.2 | 177.5 | -58.9 | 169.1 | 172.9 | 0 | 0 | 113.2 | S84 R88 D89 V90 | S84-E86 PolarHBondContact O-N 3.19Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-D89 PolarHBondContact O-N 2.75Å; E86-V90 WeakPolarHBondContact O-CG2 3.13Å; E86-V90 PolarHBondContact O-N 3.3Å; E86-V90 VanDerWaalsContact O-N 3.08Å |
| 87 | T | 90.8 | Very high | 85.6 | Confident | 22 Ų | 22 | 89.6 Ų | 89.6 | 14% | 0.135 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -72.4 | -30 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | V83 S84 G85 L91 Y105 K112 | V83-T87 VanDerWaalsContact CG1-CB 3.5Å; V83-T87 HydrophobicContact CG1-CG2 3.5Å; S84-T87 PolarHBondContact O-N 3.18Å; S84-T87 PolarHBondContact OG-OG1 3.47Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.14Å; G85-T87 VanDerWaalsContact O-N 3.17Å; T87-L91 WeakPolarHBondContact O-CB 3.28Å; T87-L91 PolarHBondContact O-N 3.28Å; T87-L91 VanDerWaalsContact O-N 3.11Å; T87-Y105 HydrophobicContact CG2-CD2 3.56Å; T87-Y105 HydrophobicContact CG2-CE2 3.47Å; T87-Y105 VanDerWaalsContact CG2-CE2 3.47Å; T87-K112 PolarHBondContact OG1-NZ 3Å |
| 88 | R | 91.5 | Very high | 87 | Confident | 126 Ų | 126 | 90.1 Ų | 90.1 | 48% | 0.475 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 171.1 | -75.5 | -171.7 | 170 | 103.6 | -0.8 | 111.5 | V83 S84 G85 E86 V90 L91 Y92 | V83-R88 HydrophobicContact CB-CG 4.25Å; V83-R88 HydrophobicContact CG1-CG 4.06Å; V83-R88 PolarHBondContact O-NH1 3.04Å; S84-R88 PolarHBondContact O-N 2.7Å; S84-R88 VanDerWaalsContact O-N 3.09Å; G85-R88 CarbonylContact O-C 3.18Å; G85-R88 WeakPolarHBondContact O-CA 3.49Å; G85-R88 VanDerWaalsContact O-CB 3.31Å; G85-R88 WeakPolarHBondContact O-CB 3.26Å; G85-R88 PolarHBondContact O-N 3Å; E86-R88 VanDerWaalsContact C-N 3.33Å; R88-V90 VanDerWaalsContact C-N 3.35Å; R88-V90 PolarHBondContact O-N 2.73Å; R88-L91 WeakPolarHBondContact O-CB 3.38Å; R88-L91 PolarHBondContact O-N 2.87Å; R88-L91 VanDerWaalsContact O-N 3.08Å; R88-Y92 VanDerWaalsContact O-CD2 3.22Å; R88-Y92 WeakPolarHBondContact O-CD2 3.37Å; R88-Y92 PolarHBondContact O-N 2.76Å |
| 89 | D | 93.1 | Very high | 87.5 | Confident | 115 Ų | 115 | 91.7 Ų | 91.7 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62 | -46.8 | 178.9 | -58.9 | -26.7 | 0 | 0 | 0 | 110.1 | G85 E86 L91 Y92 D93 | G85-D89 VanDerWaalsContact O-CG 3.31Å; G85-D89 PolarHBondContact O-N 2.64Å; E86-D89 PolarHBondContact O-N 2.75Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3.41Å; D89-Y92 PolarHBondContact O-N 3.21Å; D89-D93 PolarHBondContact O-N 3.09Å; D89-D93 VanDerWaalsContact O-N 3.15Å |
| 90 | V | 93.1 | Very high | 87.9 | Confident | 42 Ų | 42 | 90.4 Ų | 90.4 | 26% | 0.255 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 112 | E86 R88 Y92 D93 G101 K104 L108 | E86-V90 WeakPolarHBondContact O-CG2 3.13Å; E86-V90 PolarHBondContact O-N 3.3Å; E86-V90 VanDerWaalsContact O-N 3.08Å; R88-V90 VanDerWaalsContact C-N 3.35Å; R88-V90 PolarHBondContact O-N 2.73Å; V90-Y92 VanDerWaalsContact C-N 3.26Å; V90-Y92 PolarHBondContact O-N 2.77Å; V90-D93 PolarHBondContact O-N 2.93Å; V90-G101 CarbonylContact O-C 3.59Å; V90-G101 WeakPolarHBondContact O-CA 3.39Å; V90-G101 VanDerWaalsContact O-O 3.14Å; V90-K104 HydrophobicContact CG1-CB 3.98Å; V90-L108 HydrophobicContact CG1-CD1 3.99Å |
| 91 | L | 91.3 | Very high | 88.1 | Confident | 37 Ų | 37 | 87.5 Ų | 87.5 | 19% | 0.194 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.4 | -33.1 | -179.1 | -178.7 | 65.1 | 0 | 0 | 0 | 112.7 | T87 R88 D89 R102 Y105 | T87-L91 WeakPolarHBondContact O-CB 3.28Å; T87-L91 PolarHBondContact O-N 3.28Å; T87-L91 VanDerWaalsContact O-N 3.11Å; R88-L91 WeakPolarHBondContact O-CB 3.38Å; R88-L91 PolarHBondContact O-N 2.87Å; R88-L91 VanDerWaalsContact O-N 3.08Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3.41Å; L91-R102 HydrophobicContact CD1-CG 4.05Å; L91-Y105 HydrophobicContact CB-CD2 4.41Å; L91-Y105 HydrophobicContact CB-CG 4.43Å; L91-Y105 HydrophobicContact CD1-CD1 3.48Å; L91-Y105 VanDerWaalsContact CD1-CD1 3.48Å; L91-Y105 HydrophobicContact CD1-CD2 4.18Å; L91-Y105 HydrophobicContact CD1-CE1 3.95Å; L91-Y105 HydrophobicContact CD1-CG 3.57Å |
| 92 | Y | 91.1 | Very high | 88.3 | Confident | 162 Ų | 162 | 88.3 Ų | 88.3 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 13.4 | -176.3 | -61.2 | -68.3 | 0 | 0 | 0 | 113.5 | R88 D89 V90 G94 | R88-Y92 VanDerWaalsContact O-CD2 3.22Å; R88-Y92 WeakPolarHBondContact O-CD2 3.37Å; R88-Y92 PolarHBondContact O-N 2.76Å; D89-Y92 PolarHBondContact O-N 3.21Å; V90-Y92 VanDerWaalsContact C-N 3.26Å; V90-Y92 PolarHBondContact O-N 2.77Å; Y92-G94 PolarHBondContact O-N 2.85Å |
| 93 | D | 91.2 | Very high | 88.5 | Confident | 83 Ų | 83 | 87.6 Ų | 87.6 | 44% | 0.444 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -80.6 | 111 | 179.1 | -179.2 | 33.6 | 0 | 0 | 0 | 112.4 | D89 V90 T100 G101 | D89-D93 PolarHBondContact O-N 3.09Å; D89-D93 VanDerWaalsContact O-N 3.15Å; V90-D93 PolarHBondContact O-N 2.93Å; D93-T100 PolarHBondContact O-OG1 3.38Å; D93-G101 WeakPolarHBondContact O-CA 3.39Å; D93-G101 PolarHBondContact O-N 2.99Å |
| 94 | G | 89.5 | Confident | 88.7 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 68.2 | -155.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y92 | Y92-G94 PolarHBondContact O-N 2.85Š|
| 95 | F | 81.3 | Confident | 88.9 | Confident | 159 Ų | 159 | 89.1 Ų | 89.1 | 70% | 0.697 | 44% | 0.44 | S | S | * | . | trans | -105 | 133.4 | -176.1 | -64.8 | -76.3 | 0 | 0 | 0 | 112 | L97 E98 T100 | F95-L97 PolarHBondContact O-N 3.47Å; F95-E98 PolarHBondContact O-N 2.93Å; F95-E98 VanDerWaalsContact O-N 3.12Å; F95-T100 PolarHBondContact N-OG1 3.4Å; F95-T100 PolarHBondContact O-OG1 2.95Å; F95-T100 VanDerWaalsContact O-OG1 3.1Å | ||
| 96 | S | 76.2 | Confident | 88.9 | Confident | 58 Ų | 58 | 91.7 Ų | 91.7 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -59 | -22.1 | -179.1 | -48.3 | 0 | 0 | 0 | 0 | 114.2 | E98 E99 R102 | S96-E98 VanDerWaalsContact C-N 3.33Å; S96-E99 PolarHBondContact O-N 3.32Å; S96-R102 PolarHBondContact OG-NH1 3.13Å |
| 97 | L | 80.6 | Confident | 89 | Confident | 166 Ų | 166 | 88.4 Ų | 88.4 | 87% | 0.869 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -70.5 | -29.2 | -179.2 | -173.4 | 64.5 | 0 | 0 | 0 | 112.3 | F95 E99 | F95-L97 PolarHBondContact O-N 3.47Å; L97-E99 PolarHBondContact O-N 3.03Å |
| 98 | E | 86.6 | Confident | 89.1 | Confident | 138 Ų | 138 | 90.9 Ų | 90.9 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -88.1 | 18.2 | 179.6 | -62.9 | 179.4 | 171.2 | 0 | 0 | 112.1 | F95 S96 T100 | F95-E98 PolarHBondContact O-N 2.93Å; F95-E98 VanDerWaalsContact O-N 3.12Å; S96-E98 VanDerWaalsContact C-N 3.33Å; E98-T100 HydrophobicContact CB-CG2 4.18Å; E98-T100 WeakPolarHBondContact O-CG2 3.29Å; E98-T100 PolarHBondContact O-N 3.36Å |
| 99 | E | 81.9 | Confident | 89.1 | Confident | 119 Ų | 119 | 88.1 Ų | 88.1 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 20.4 | -174.1 | -55 | -166.7 | 155.6 | 0 | 0 | 113.9 | S96 L97 Y103 | S96-E99 PolarHBondContact O-N 3.32Å; L97-E99 PolarHBondContact O-N 3.03Å; E99-Y103 HydrophobicContact CB-CD1 3.81Å; E99-Y103 HydrophobicContact CB-CE1 4.21Å; E99-Y103 HydrophobicContact CB-CG 4.08Å; E99-Y103 WeakPolarHBondContact O-CD1 3.44Å |
| 100 | T | 86.7 | Confident | 89 | Confident | 25 Ų | 25 | 91.1 Ų | 91.1 | 15% | 0.153 | 44% | 0.439 | C | S | . | . | trans | -91 | 178.6 | 172.7 | 72 | 0 | 0 | 0 | 0 | 111.2 | D93 F95 E98 R102 Y103 | D93-T100 PolarHBondContact O-OG1 3.38Å; F95-T100 PolarHBondContact N-OG1 3.4Å; F95-T100 PolarHBondContact O-OG1 2.95Å; F95-T100 VanDerWaalsContact O-OG1 3.1Å; E98-T100 HydrophobicContact CB-CG2 4.18Å; E98-T100 WeakPolarHBondContact O-CG2 3.29Å; E98-T100 PolarHBondContact O-N 3.36Å; T100-R102 PolarHBondContact O-N 2.9Å; T100-Y103 PolarHBondContact O-N 3.29Å | ||
| 101 | G | 91.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 96.4 Ų | 96.4 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | -111.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V90 D93 Y103 K104 Y105 | V90-G101 CarbonylContact O-C 3.59Å; V90-G101 WeakPolarHBondContact O-CA 3.39Å; V90-G101 VanDerWaalsContact O-O 3.14Å; D93-G101 WeakPolarHBondContact O-CA 3.39Å; D93-G101 PolarHBondContact O-N 2.99Å; G101-Y103 VanDerWaalsContact C-N 3.28Å; G101-Y103 PolarHBondContact O-N 3.05Å; G101-K104 PolarHBondContact O-N 2.92Å; G101-Y105 PolarHBondContact O-N 2.6Å |
| 102 | R | 91.6 | Very high | 88.9 | Confident | 131 Ų | 131 | 98.9 Ų | 98.9 | 49% | 0.494 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.1 | -37.6 | 179.4 | -64.1 | -173.8 | -179.3 | 84 | 0.1 | 113.2 | L91 S96 T100 Y105 L106 | L91-R102 HydrophobicContact CD1-CG 4.05Å; S96-R102 PolarHBondContact OG-NH1 3.13Å; T100-R102 PolarHBondContact O-N 2.9Å; R102-Y105 WeakPolarHBondContact O-CB 3.36Å; R102-Y105 PolarHBondContact O-N 3.38Å; R102-L106 WeakPolarHBondContact O-CG 3.28Å; R102-L106 PolarHBondContact O-N 2.91Å |
| 103 | Y | 92.5 | Very high | 88.9 | Confident | 105 Ų | 105 | 96.3 Ų | 96.3 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -50.2 | 179 | -179.1 | -91.8 | 0 | 0 | 0 | 110.7 | E99 T100 G101 Y105 L106 L107 | E99-Y103 HydrophobicContact CB-CD1 3.81Å; E99-Y103 HydrophobicContact CB-CE1 4.21Å; E99-Y103 HydrophobicContact CB-CG 4.08Å; E99-Y103 WeakPolarHBondContact O-CD1 3.44Å; T100-Y103 PolarHBondContact O-N 3.29Å; G101-Y103 VanDerWaalsContact C-N 3.28Å; G101-Y103 PolarHBondContact O-N 3.05Å; Y103-Y105 VanDerWaalsContact C-N 3.3Å; Y103-Y105 PolarHBondContact O-N 2.88Å; Y103-L106 PolarHBondContact O-N 3.33Å; Y103-L106 VanDerWaalsContact O-N 3.11Å; Y103-L107 HydrophobicContact CD1-CD1 3.95Å; Y103-L107 HydrophobicContact CE1-CD1 3.45Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.45Å; Y103-L107 HydrophobicContact CE1-CG 4.17Å; Y103-L107 PolarHBondContact O-N 3.4Å; Y103-L107 VanDerWaalsContact O-N 3.17Å |
| 104 | K | 92.2 | Very high | 88.9 | Confident | 93 Ų | 93 | 94 Ų | 94 | 40% | 0.404 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 173.2 | -68.6 | 179.5 | -176.4 | 170.8 | 0 | 111.8 | V90 G101 L106 L107 L108 | V90-K104 HydrophobicContact CG1-CB 3.98Å; G101-K104 PolarHBondContact O-N 2.92Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-L106 PolarHBondContact O-N 3.25Å; K104-L107 PolarHBondContact O-N 3.5Å; K104-L108 WeakPolarHBondContact O-CG 3.34Å; K104-L108 PolarHBondContact O-N 3.3Å |
| 105 | Y | 92.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 94.3 Ų | 94.3 | 17% | 0.165 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 175.4 | 166.6 | -101.3 | 0 | 0 | 0 | 112.4 | T87 L91 G101 R102 Y103 L107 L108 R109 | T87-Y105 HydrophobicContact CG2-CD2 3.56Å; T87-Y105 HydrophobicContact CG2-CE2 3.47Å; T87-Y105 VanDerWaalsContact CG2-CE2 3.47Å; L91-Y105 HydrophobicContact CB-CD2 4.41Å; L91-Y105 HydrophobicContact CB-CG 4.43Å; L91-Y105 HydrophobicContact CD1-CD1 3.48Å; L91-Y105 VanDerWaalsContact CD1-CD1 3.48Å; L91-Y105 HydrophobicContact CD1-CD2 4.18Å; L91-Y105 HydrophobicContact CD1-CE1 3.95Å; L91-Y105 HydrophobicContact CD1-CG 3.57Å; G101-Y105 PolarHBondContact O-N 2.6Å; R102-Y105 WeakPolarHBondContact O-CB 3.36Å; R102-Y105 PolarHBondContact O-N 3.38Å; Y103-Y105 VanDerWaalsContact C-N 3.3Å; Y103-Y105 PolarHBondContact O-N 2.88Å; Y105-L107 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.43Å; Y105-L108 PolarHBondContact O-N 3.01Å; Y105-R109 WeakPolarHBondContact O-CB 3.36Å; Y105-R109 PolarHBondContact O-N 3.3Å; Y105-R109 WeakPolarHBondContact OH-CD 3.37Å; Y105-R109 PolarHBondContact OH-NE 3.46Å |
| 106 | L | 91.9 | Very high | 89.3 | Confident | 99 Ų | 99 | 91 Ų | 91 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 179.6 | -71.5 | 175 | 0 | 0 | 0 | 112.2 | R102 Y103 K104 R109 K110 | R102-L106 WeakPolarHBondContact O-CG 3.28Å; R102-L106 PolarHBondContact O-N 2.91Å; Y103-L106 PolarHBondContact O-N 3.33Å; Y103-L106 VanDerWaalsContact O-N 3.11Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-L106 PolarHBondContact O-N 3.25Å; L106-R109 PolarHBondContact O-N 3.42Å; L106-K110 PolarHBondContact O-N 2.95Å; L106-K110 VanDerWaalsContact O-N 3.09Å |
| 107 | L | 92.4 | Very high | 90 | Very high | 84 Ų | 84 | 90.1 Ų | 90.1 | 44% | 0.44 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -51 | 174.1 | -70.8 | 175.7 | 0 | 0 | 0 | 111.4 | Y103 K104 Y105 R109 K110 Q111 | Y103-L107 HydrophobicContact CD1-CD1 3.95Å; Y103-L107 HydrophobicContact CE1-CD1 3.45Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.45Å; Y103-L107 HydrophobicContact CE1-CG 4.17Å; Y103-L107 PolarHBondContact O-N 3.4Å; Y103-L107 VanDerWaalsContact O-N 3.17Å; K104-L107 PolarHBondContact O-N 3.5Å; Y105-L107 VanDerWaalsContact C-N 3.34Å; Y105-L107 PolarHBondContact O-N 3.43Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.02Å; L107-K110 PolarHBondContact O-N 3.36Å; L107-Q111 PolarHBondContact O-N 3.46Å |
| 108 | L | 92.4 | Very high | 90.5 | Very high | 74 Ų | 74 | 83.5 Ų | 83.5 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 177.6 | -67.8 | 171.1 | 0 | 0 | 0 | 111.9 | V90 K104 Y105 K110 Q111 | V90-L108 HydrophobicContact CG1-CD1 3.99Å; K104-L108 WeakPolarHBondContact O-CG 3.34Å; K104-L108 PolarHBondContact O-N 3.3Å; Y105-L108 PolarHBondContact O-N 3.01Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.45Å; L108-Q111 PolarHBondContact O-N 3.32Å |
| 109 | R | 91.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 81.3 Ų | 81.3 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -29.2 | 179.7 | -173.6 | 175.5 | -171.2 | -106.2 | -5.3 | 112.9 | Y105 L106 L107 Q111 K117 Y118 | Y105-R109 WeakPolarHBondContact O-CB 3.36Å; Y105-R109 PolarHBondContact O-N 3.3Å; Y105-R109 WeakPolarHBondContact OH-CD 3.37Å; Y105-R109 PolarHBondContact OH-NE 3.46Å; L106-R109 PolarHBondContact O-N 3.42Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.02Å; R109-Q111 VanDerWaalsContact C-N 3.31Å; R109-K117 HydrophobicContact CG-CD 3.92Å; R109-K117 PolarHBondContact O-NZ 3.48Å; R109-Y118 PolarHBondContact NH2-OH 3.25Å |
| 110 | K | 91 | Very high | 91 | Very high | 178 Ų | 178 | 80.2 Ų | 80.2 | 77% | 0.774 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.2 | -33.1 | 173.7 | -83.2 | -177.4 | 175.2 | -178.1 | 0 | 112.1 | L106 L107 L108 K112 | L106-K110 PolarHBondContact O-N 2.95Å; L106-K110 VanDerWaalsContact O-N 3.09Å; L107-K110 PolarHBondContact O-N 3.36Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.45Å; K110-K112 VanDerWaalsContact C-N 3.34Å |
| 111 | Q | 92 | Very high | 91.2 | Very high | 153 Ų | 153 | 81 Ų | 81 | 72% | 0.715 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -72 | -26.3 | -179.9 | -64.5 | 176.7 | -10.3 | 0 | 0 | 113.3 | L107 L108 R109 | L107-Q111 PolarHBondContact O-N 3.46Å; L108-Q111 PolarHBondContact O-N 3.32Å; R109-Q111 VanDerWaalsContact C-N 3.31Å |
| 112 | K | 90.4 | Very high | 91.1 | Very high | 89 Ų | 89 | 85 Ų | 85 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -79.2 | 137.8 | 178 | -69.5 | -176.3 | 178.3 | 176.7 | 0 | 111.6 | T87 K110 K117 | T87-K112 PolarHBondContact OG1-NZ 3Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K112-K117 HydrophobicContact CB-CD 4.21Å; K112-K117 HydrophobicContact CB-CG 4.31Å; K112-K117 VanDerWaalsContact O-CE 3.25Å; K112-K117 WeakPolarHBondContact O-CE 3.37Å; K112-K117 PolarHBondContact O-NZ 3.03Å |
| 113 | D | 90.9 | Very high | 91 | Very high | 108 Ų | 108 | 81.8 Ų | 81.8 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | trans | -63.4 | 149.8 | 174.7 | -66.5 | -43.3 | 0 | 0 | 0 | 112.6 | E115 V116 K117 | D113-E115 PolarHBondContact O-N 3.49Å; D113-V116 HydrophobicContact CB-CG2 4.39Å; D113-V116 PolarHBondContact O-N 3.39Å; D113-K117 WeakPolarHBondContact O-CE 3.5Å; D113-K117 PolarHBondContact O-N 3.25Å | ||
| 114 | P | 91.3 | Very high | 91 | Very high | 34 Ų | 34 | 80.6 Ų | 80.6 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.8 | -32 | 177.4 | 26.9 | -34.6 | 0 | 0 | 0 | 112.2 | V116 K117 Y118 W126 W130 | P114-V116 PolarHBondContact O-N 2.93Å; P114-K117 PolarHBondContact O-N 2.98Å; P114-Y118 HydrophobicContact CB-CD2 4.08Å; P114-Y118 HydrophobicContact CB-CE2 4.44Å; P114-Y118 VanDerWaalsContact O-CD2 3.28Å; P114-Y118 WeakPolarHBondContact O-CD2 3.4Å; P114-Y118 PolarHBondContact O-N 3.25Å; P114-W126 HydrophobicContact CB-CD2 4.07Å; P114-W126 HydrophobicContact CB-CE3 3.94Å; P114-W126 HydrophobicContact CB-CH2 4.02Å; P114-W126 HydrophobicContact CB-CZ2 4.08Å; P114-W126 HydrophobicContact CB-CZ3 3.92Å; P114-W126 HydrophobicContact CG-CD2 4.47Å; P114-W130 HydrophobicContact CB-CH2 4.39Å; P114-W130 HydrophobicContact CB-CZ3 3.94Å; P114-W130 HydrophobicContact CG-CZ3 4.15Å |
| 115 | E | 90.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 82.6 Ų | 82.6 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -32.2 | 178.7 | -60.6 | -176.9 | -163.4 | 0 | 0 | 113.4 | R81 D113 Y118 W130 G131 | R81-E115 PolarHBondContact NE-O 3.03Å; D113-E115 PolarHBondContact O-N 3.49Å; E115-Y118 VanDerWaalsContact O-O 3.12Å; E115-W130 HydrophobicContact CB-CH2 4.36Å; E115-W130 HydrophobicContact CB-CZ2 4.3Å; E115-W130 HydrophobicContact CG-CD2 3.81Å; E115-W130 HydrophobicContact CG-CE3 3.78Å; E115-W130 HydrophobicContact CG-CG 4.46Å; E115-W130 HydrophobicContact CG-CH2 4.02Å; E115-W130 HydrophobicContact CG-CZ2 4.04Å; E115-W130 HydrophobicContact CG-CZ3 3.89Å; E115-W130 VanDerWaalsContact OE1-CA 3.28Å; E115-W130 WeakPolarHBondContact OE1-CA 3.32Å; E115-G131 PolarHBondContact OE1-N 2.95Å; E115-G131 WeakPolarHBondContact OE2-CA 3.5Å; E115-G131 PolarHBondContact OE2-N 2.9Å; E115-G131 VanDerWaalsContact OE2-N 3.16Å |
| 116 | V | 89.8 | Confident | 90.8 | Very high | 89 Ų | 89 | 84.2 Ų | 84.2 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -77.8 | -25.6 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | R81 D113 P114 | R81-V116 VanDerWaalsContact CD-O 3.25Å; R81-V116 WeakPolarHBondContact CD-O 3.49Å; D113-V116 HydrophobicContact CB-CG2 4.39Å; D113-V116 PolarHBondContact O-N 3.39Å; P114-V116 PolarHBondContact O-N 2.93Å |
| 117 | K | 90.6 | Very high | 90.7 | Very high | 41 Ų | 41 | 84.4 Ų | 84.4 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -92.1 | -37.9 | -175.7 | -66.8 | 177.3 | -62.4 | -154.2 | 0 | 112.5 | M80 R81 R109 K112 D113 P114 | M80-K117 WeakPolarHBondContact CA-O 3.33Å; R81-K117 PolarHBondContact N-O 3.37Å; R109-K117 HydrophobicContact CG-CD 3.92Å; R109-K117 PolarHBondContact O-NZ 3.48Å; K112-K117 HydrophobicContact CB-CD 4.21Å; K112-K117 HydrophobicContact CB-CG 4.31Å; K112-K117 VanDerWaalsContact O-CE 3.25Å; K112-K117 WeakPolarHBondContact O-CE 3.37Å; K112-K117 PolarHBondContact O-NZ 3.03Å; D113-K117 WeakPolarHBondContact O-CE 3.5Å; D113-K117 PolarHBondContact O-N 3.25Å; P114-K117 PolarHBondContact O-N 2.98Å |
| 118 | Y | 91.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 90.5 Ų | 90.5 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 149.9 | -171.5 | -59 | -87.3 | 0 | 0 | 0 | 110.9 | V79 M80 R81 R109 P114 E115 I122 W126 | V79-Y118 HydrophobicContact CG1-CD1 4.41Å; M80-Y118 HydrophobicContact CE-CD1 3.84Å; M80-Y118 HydrophobicContact CE-CE1 2.97Å; M80-Y118 WeakPolarHBondContact CE-OH 3.26Å; M80-Y118 HydrophobicContact CG-CD1 4.26Å; M80-Y118 HydrophobicContact CG-CE1 4.24Å; M80-Y118 HydrophobicContact SD-CD1 3.35Å; M80-Y118 WeakPolarHBondContact SD-CD1 3.37Å; M80-Y118 HydrophobicContact SD-CE1 3.09Å; M80-Y118 WeakPolarHBondContact SD-CE1 3.5Å; M80-Y118 HydrophobicContact SD-CE2 4.26Å; M80-Y118 HydrophobicContact SD-CG 4.11Å; M80-Y118 VanDerWaalsContact SD-CZ 3.56Å; R81-Y118 PolarHBondContact NE-O 3.3Å; R81-Y118 VanDerWaalsContact NE-O 3.14Å; R109-Y118 PolarHBondContact NH2-OH 3.25Å; P114-Y118 HydrophobicContact CB-CD2 4.08Å; P114-Y118 HydrophobicContact CB-CE2 4.44Å; P114-Y118 VanDerWaalsContact O-CD2 3.28Å; P114-Y118 WeakPolarHBondContact O-CD2 3.4Å; P114-Y118 PolarHBondContact O-N 3.25Å; E115-Y118 VanDerWaalsContact O-O 3.12Å; Y118-I122 HydrophobicContact CD1-CD1 3.29Å; Y118-I122 HydrophobicContact CD1-CG1 3.98Å; Y118-I122 HydrophobicContact CE1-CD1 3.15Å; Y118-I122 HydrophobicContact CE1-CG1 4.23Å; Y118-I122 HydrophobicContact CG-CD1 4.22Å; Y118-W126 HydrophobicContact CD1-CZ3 4.37Å; Y118-W126 HydrophobicContact CD2-CE3 4.45Å; Y118-W126 AromaticContact CD2-CH2 3.68Å; Y118-W126 HydrophobicContact CD2-CH2 3.68Å; Y118-W126 AromaticContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CE1-CH2 4.41Å; Y118-W126 HydrophobicContact CE1-CZ3 4.37Å; Y118-W126 AromaticContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CZ2 4.41Å; Y118-W126 AromaticContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CG-CH2 4.47Å; Y118-W126 AromaticContact CG-CZ3 3.87Å; Y118-W126 HydrophobicContact CG-CZ3 3.87Å; Y118-W126 AromaticContact CZ-CH2 3.69Å |
| 119 | L | 89.5 | Confident | 90.1 | Very high | 92 Ų | 92 | 88.2 Ų | 88.2 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -76.4 | -31.1 | 177.1 | -165.2 | 67.3 | 0 | 0 | 0 | 111.5 | V79 | V79-L119 PolarHBondContact O-N 3.24Š|
| 120 | Y | 88.9 | Confident | 90.1 | Very high | 96 Ų | 96 | 88.1 Ų | 88.1 | 38% | 0.376 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -144.6 | 157.7 | -178.6 | 47.8 | -94.4 | 0 | 0 | 0 | 111 | V79 I122 | V79-Y120 HydrophobicContact CG1-CE2 4.02Å; Y120-I122 PolarHBondContact O-N 3.25Å |
| 121 | P | 91.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 81.4 Ų | 81.4 | 28% | 0.279 | 42% | 0.416 | S | S | . | . | trans | -64.8 | 121 | 176 | 25.3 | -32.2 | 0 | 0 | 0 | 110 | W126 Q127 W130 | P121-W126 HydrophobicContact CB-CB 3.73Å; P121-Q127 HydrophobicContact CG-CG 4.43Å; P121-W130 HydrophobicContact CB-CD2 3.94Å; P121-W130 HydrophobicContact CB-CE3 3.77Å; P121-W130 HydrophobicContact CB-CG 4.44Å; P121-W130 HydrophobicContact CB-CZ3 4.12Å; P121-W130 HydrophobicContact CG-CD2 4.14Å; P121-W130 HydrophobicContact CG-CE3 4.47Å; P121-W130 HydrophobicContact CG-CG 4.26Å | ||
| 122 | I | 89.3 | Confident | 89.5 | Confident | 86 Ų | 86 | 78.3 Ų | 78.3 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | trans | -78.9 | -39.6 | 179.7 | -62.6 | -177.3 | 0 | 0 | 0 | 111 | V79 Y118 Y120 W126 | V79-I122 HydrophobicContact CG1-CD1 3.47Å; V79-I122 VanDerWaalsContact CG1-CD1 3.47Å; V79-I122 HydrophobicContact CG1-CG1 3.84Å; Y118-I122 HydrophobicContact CD1-CD1 3.29Å; Y118-I122 HydrophobicContact CD1-CG1 3.98Å; Y118-I122 HydrophobicContact CE1-CD1 3.15Å; Y118-I122 HydrophobicContact CE1-CG1 4.23Å; Y118-I122 HydrophobicContact CG-CD1 4.22Å; Y120-I122 PolarHBondContact O-N 3.25Å; I122-W126 HydrophobicContact CB-CE3 4.43Å; I122-W126 HydrophobicContact CB-CZ3 4.13Å; I122-W126 HydrophobicContact CD1-CZ3 4.41Å; I122-W126 HydrophobicContact CG1-CZ3 4.18Å | ||
| 123 | T | 89.6 | Confident | 88.9 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -106 | 152.9 | -175.8 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | N125 W126 | T123-N125 PolarHBondContact O-N 3.42Å; T123-W126 PolarHBondContact O-N 2.79Å; T123-W126 VanDerWaalsContact O-N 3.09Å; T123-W126 VanDerWaalsContact OG1-CG 3.29Å |
| 124 | S | 90.9 | Very high | 88 | Confident | 81 Ų | 81 | 79.2 Ų | 79.2 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -57.5 | -36 | 174.1 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | W126 Q127 | S124-W126 PolarHBondContact O-N 2.91Å; S124-Q127 WeakPolarHBondContact O-CB 3.42Å; S124-Q127 PolarHBondContact O-N 2.91Å; S124-Q127 PolarHBondContact O-OE1 3.01Å |
| 125 | N | 90.1 | Very high | 86.8 | Confident | 135 Ų | 135 | 84 Ų | 84 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -64.2 | -23.6 | 179 | -67.2 | 20.1 | 0 | 0 | 0 | 112.9 | T123 | T123-N125 PolarHBondContact O-N 3.42Š|
| 126 | W | 91.6 | Very high | 85.4 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 29% | 0.288 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -86.1 | -11.3 | 176.1 | -66.3 | -2 | 0 | 0 | 0 | 113.2 | P114 Y118 P121 I122 T123 S124 Y128 W130 | P114-W126 HydrophobicContact CB-CD2 4.07Å; P114-W126 HydrophobicContact CB-CE3 3.94Å; P114-W126 HydrophobicContact CB-CH2 4.02Å; P114-W126 HydrophobicContact CB-CZ2 4.08Å; P114-W126 HydrophobicContact CB-CZ3 3.92Å; P114-W126 HydrophobicContact CG-CD2 4.47Å; Y118-W126 HydrophobicContact CD1-CZ3 4.37Å; Y118-W126 HydrophobicContact CD2-CE3 4.45Å; Y118-W126 AromaticContact CD2-CH2 3.68Å; Y118-W126 HydrophobicContact CD2-CH2 3.68Å; Y118-W126 AromaticContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CD2-CZ3 3.38Å; Y118-W126 HydrophobicContact CE1-CH2 4.41Å; Y118-W126 HydrophobicContact CE1-CZ3 4.37Å; Y118-W126 AromaticContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CH2 3.27Å; Y118-W126 HydrophobicContact CE2-CZ2 4.41Å; Y118-W126 AromaticContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CE2-CZ3 3.51Å; Y118-W126 HydrophobicContact CG-CH2 4.47Å; Y118-W126 AromaticContact CG-CZ3 3.87Å; Y118-W126 HydrophobicContact CG-CZ3 3.87Å; Y118-W126 AromaticContact CZ-CH2 3.69Å; P121-W126 HydrophobicContact CB-CB 3.73Å; I122-W126 HydrophobicContact CB-CE3 4.43Å; I122-W126 HydrophobicContact CB-CZ3 4.13Å; I122-W126 HydrophobicContact CD1-CZ3 4.41Å; I122-W126 HydrophobicContact CG1-CZ3 4.18Å; T123-W126 PolarHBondContact O-N 2.79Å; T123-W126 VanDerWaalsContact O-N 3.09Å; T123-W126 VanDerWaalsContact OG1-CG 3.29Å; S124-W126 PolarHBondContact O-N 2.91Å; W126-Y128 PolarHBondContact O-N 3.41Å; W126-W130 HydrophobicContact CB-CE3 4.04Å; W126-W130 HydrophobicContact CB-CZ3 4.19Å; W126-W130 HydrophobicContact CD2-CZ3 4.35Å; W126-W130 HydrophobicContact CE3-CH2 4.4Å; W126-W130 AromaticContact CE3-CZ3 3.81Å; W126-W130 HydrophobicContact CE3-CZ3 3.81Å; W126-W130 WeakPolarHBondContact O-CB 3.43Å |
| 127 | Q | 88.8 | Confident | 84.2 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -35.8 | 176.5 | -69.4 | 174.7 | -57.9 | 0 | 0 | 111.1 | P121 S124 | P121-Q127 HydrophobicContact CG-CG 4.43Å; S124-Q127 WeakPolarHBondContact O-CB 3.42Å; S124-Q127 PolarHBondContact O-N 2.91Å; S124-Q127 PolarHBondContact O-OE1 3.01Å |
| 128 | Y | 88.3 | Confident | 83.1 | Confident | 211 Ų | 211 | 95.5 Ų | 95.5 | 83% | 0.827 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 127.8 | 172.6 | -173.3 | -100 | 0 | 0 | 0 | 110 | W126 W130 | W126-Y128 PolarHBondContact O-N 3.41Å; Y128-W130 VanDerWaalsContact C-N 3.31Å; Y128-W130 PolarHBondContact O-N 2.99Å |
| 129 | G | 85.9 | Confident | 82.1 | Confident | 27 Ų | 27 | 103.9 Ų | 103.9 | 28% | 0.278 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -7.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | G131 L132 | G129-G131 PolarHBondContact O-N 3.4Å; G129-L132 WeakPolarHBondContact O-CB 3.23Å; G129-L132 PolarHBondContact O-N 3.44Å; G129-L132 VanDerWaalsContact O-N 3.14Å |
| 130 | W | 91.3 | Very high | 81.2 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 25% | 0.246 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | 122.7 | 178.9 | -160.4 | -92.4 | 0 | 0 | 0 | 112.2 | P114 E115 P121 W126 Y128 L132 | P114-W130 HydrophobicContact CB-CH2 4.39Å; P114-W130 HydrophobicContact CB-CZ3 3.94Å; P114-W130 HydrophobicContact CG-CZ3 4.15Å; E115-W130 HydrophobicContact CB-CH2 4.36Å; E115-W130 HydrophobicContact CB-CZ2 4.3Å; E115-W130 HydrophobicContact CG-CD2 3.81Å; E115-W130 HydrophobicContact CG-CE3 3.78Å; E115-W130 HydrophobicContact CG-CG 4.46Å; E115-W130 HydrophobicContact CG-CH2 4.02Å; E115-W130 HydrophobicContact CG-CZ2 4.04Å; E115-W130 HydrophobicContact CG-CZ3 3.89Å; E115-W130 VanDerWaalsContact OE1-CA 3.28Å; E115-W130 WeakPolarHBondContact OE1-CA 3.32Å; P121-W130 HydrophobicContact CB-CD2 3.94Å; P121-W130 HydrophobicContact CB-CE3 3.77Å; P121-W130 HydrophobicContact CB-CG 4.44Å; P121-W130 HydrophobicContact CB-CZ3 4.12Å; P121-W130 HydrophobicContact CG-CD2 4.14Å; P121-W130 HydrophobicContact CG-CE3 4.47Å; P121-W130 HydrophobicContact CG-CG 4.26Å; W126-W130 HydrophobicContact CB-CE3 4.04Å; W126-W130 HydrophobicContact CB-CZ3 4.19Å; W126-W130 HydrophobicContact CD2-CZ3 4.35Å; W126-W130 HydrophobicContact CE3-CH2 4.4Å; W126-W130 AromaticContact CE3-CZ3 3.81Å; W126-W130 HydrophobicContact CE3-CZ3 3.81Å; W126-W130 WeakPolarHBondContact O-CB 3.43Å; Y128-W130 VanDerWaalsContact C-N 3.31Å; Y128-W130 PolarHBondContact O-N 2.99Å; W130-L132 VanDerWaalsContact C-N 3.28Å |
| 131 | G | 86.3 | Confident | 80.6 | Confident | 38 Ų | 38 | 103.2 Ų | 103.2 | 39% | 0.392 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 77 | 12.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E115 G129 | E115-G131 PolarHBondContact OE1-N 2.95Å; E115-G131 WeakPolarHBondContact OE2-CA 3.5Å; E115-G131 PolarHBondContact OE2-N 2.9Å; E115-G131 VanDerWaalsContact OE2-N 3.16Å; G129-G131 PolarHBondContact O-N 3.4Å |
| 132 | L | 83.6 | Confident | 79.9 | Confident | 87 Ų | 87 | 108.2 Ų | 108.2 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | trans | -82.4 | -18.4 | 178.7 | -89.2 | 67 | 0 | 0 | 0 | 113.3 | G129 W130 D134 M135 | G129-L132 WeakPolarHBondContact O-CB 3.23Å; G129-L132 PolarHBondContact O-N 3.44Å; G129-L132 VanDerWaalsContact O-N 3.14Å; W130-L132 VanDerWaalsContact C-N 3.28Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.42Å; L132-M135 HydrophobicContact CB-CG 4.21Å; L132-M135 HydrophobicContact CD1-CE 4.09Å; L132-M135 HydrophobicContact CD2-CE 4.29Å; L132-M135 HydrophobicContact CG-CE 3.68Å; L132-M135 HydrophobicContact CG-CG 4.12Å; L132-M135 VanDerWaalsContact O-CB 3.26Å; L132-M135 WeakPolarHBondContact O-CB 3.49Å; L132-M135 VanDerWaalsContact O-CG 3.28Å; L132-M135 WeakPolarHBondContact O-CG 3.4Å; L132-M135 PolarHBondContact O-N 3.03Å | ||
| 133 | G | 77.6 | Confident | 79.5 | Confident | 71 Ų | 71 | 111 Ų | 111 | 73% | 0.732 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -33.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 134 | D | 71.3 | Confident | 78.8 | Confident | 146 Ų | 146 | 109.6 Ų | 109.6 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 4.6 | 179.1 | -71.1 | -21.6 | 0 | 0 | 0 | 113.1 | L132 N136 | L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.42Å; D134-N136 VanDerWaalsContact C-N 3.31Å; D134-N136 WeakPolarHBondContact O-CA 3.36Å; D134-N136 PolarHBondContact O-N 3.4Å |
| 135 | M | 67.5 | Low | 78 | Confident | 133 Ų | 133 | 112.1 Ų | 112.1 | 66% | 0.655 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -55.2 | 103.8 | 170.4 | -71.9 | -96 | -129.4 | 0 | 0 | 106.7 | L132 K137 | L132-M135 HydrophobicContact CB-CG 4.21Å; L132-M135 HydrophobicContact CD1-CE 4.09Å; L132-M135 HydrophobicContact CD2-CE 4.29Å; L132-M135 HydrophobicContact CG-CE 3.68Å; L132-M135 HydrophobicContact CG-CG 4.12Å; L132-M135 VanDerWaalsContact O-CB 3.26Å; L132-M135 WeakPolarHBondContact O-CB 3.49Å; L132-M135 VanDerWaalsContact O-CG 3.28Å; L132-M135 WeakPolarHBondContact O-CG 3.4Å; L132-M135 PolarHBondContact O-N 3.03Å; M135-K137 PolarHBondContact O-N 2.92Å |
| 136 | N | 60.3 | Low | 77.5 | Confident | 145 Ų | 145 | 110 Ų | 110 | 78% | 0.775 | 57% | 0.574 | S | S | * | * | trans | -33.4 | 122.9 | -164.9 | -62.3 | -63.5 | 0 | 0 | 0 | 109.9 | D134 A138 | D134-N136 VanDerWaalsContact C-N 3.31Å; D134-N136 WeakPolarHBondContact O-CA 3.36Å; D134-N136 PolarHBondContact O-N 3.4Å; N136-A138 WeakPolarHBondContact O-CA 3.49Å; N136-A138 PolarHBondContact O-N 2.92Å | ||
| 137 | K | 64.5 | Low | 77.1 | Confident | 207 Ų | 207 | 108.9 Ų | 108.9 | 90% | 0.9 | 58% | 0.581 | S | S | * | * | trans | -49.8 | 98.3 | 156.2 | -69.3 | 179.3 | -176.6 | -176.4 | 0 | 103.9 | M135 Y139 | M135-K137 PolarHBondContact O-N 2.92Å; K137-Y139 PolarHBondContact O-N 3.35Å | ||
| 138 | A | 67.6 | Low | 77 | Confident | 75 Ų | 75 | 108.9 Ų | 108.9 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | trans | -51.6 | 124.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | N136 V140 | N136-A138 WeakPolarHBondContact O-CA 3.49Å; N136-A138 PolarHBondContact O-N 2.92Å; A138-V140 VanDerWaalsContact C-N 3.27Å; A138-V140 WeakPolarHBondContact O-CG2 3.35Å; A138-V140 PolarHBondContact O-N 2.91Å | ||
| 139 | Y | 69.4 | Low | 76.9 | Confident | 203 Ų | 203 | 102 Ų | 102 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | trans | -57.2 | 100 | -176.6 | 171.4 | -98.1 | 0 | 0 | 0 | 106.8 | K137 P141 | K137-Y139 PolarHBondContact O-N 3.35Å; Y139-P141 HydrophobicContact CE1-CB 3.96Å; Y139-P141 WeakPolarHBondContact O-CD 3.33Å | ||
| 140 | V | 71.1 | Confident | 76.9 | Confident | 111 Ų | 111 | 107.8 Ų | 107.8 | 67% | 0.673 | 58% | 0.581 | S | S | * | * | trans | -81.3 | 109.5 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 103.7 | A138 M142 A144 | A138-V140 VanDerWaalsContact C-N 3.27Å; A138-V140 WeakPolarHBondContact O-CG2 3.35Å; A138-V140 PolarHBondContact O-N 2.91Å; V140-M142 PolarHBondContact O-N 3.09Å; V140-A144 HydrophobicContact CG1-CB 4.08Å | ||
| 141 | P | 75.9 | Confident | 76.5 | Confident | 62 Ų | 62 | 112.7 Ų | 112.7 | 40% | 0.403 | 61% | 0.606 | S | S | . | * | trans | -59.1 | 139.3 | 178.8 | 22.1 | -28.2 | 0 | 0 | 0 | 108.3 | Y139 Y143 A144 | Y139-P141 HydrophobicContact CE1-CB 3.96Å; Y139-P141 WeakPolarHBondContact O-CD 3.33Å; P141-Y143 PolarHBondContact O-N 3.49Å; P141-A144 HydrophobicContact CG-CB 3.85Å; P141-A144 WeakPolarHBondContact O-CB 3.46Å; P141-A144 PolarHBondContact O-N 3.14Å | ||
| 142 | M | 77.1 | Confident | 76.5 | Confident | 149 Ų | 149 | 114.8 Ų | 114.8 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -21.7 | -173.9 | -163.3 | 169.2 | 93.5 | 0 | 0 | 113.7 | V140 | V140-M142 PolarHBondContact O-N 3.09Š|
| 143 | Y | 79.9 | Confident | 76.5 | Confident | 145 Ų | 145 | 118.3 Ų | 118.3 | 57% | 0.569 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 25 | -178.7 | -54.9 | -59.9 | 0 | 0 | 0 | 114.1 | P141 L145 N146 A147 | P141-Y143 PolarHBondContact O-N 3.49Å; Y143-L145 VanDerWaalsContact C-N 3.29Å; Y143-L145 PolarHBondContact O-N 3.37Å; Y143-N146 PolarHBondContact O-N 3.32Å; Y143-N146 VanDerWaalsContact O-N 3.13Å; Y143-A147 PolarHBondContact O-N 3.22Å |
| 144 | A | 75.7 | Confident | 76.8 | Confident | 32 Ų | 32 | 121.8 Ų | 121.8 | 26% | 0.264 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -51 | -47.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V140 P141 | V140-A144 HydrophobicContact CG1-CB 4.08Å; P141-A144 HydrophobicContact CG-CB 3.85Å; P141-A144 WeakPolarHBondContact O-CB 3.46Å; P141-A144 PolarHBondContact O-N 3.14Å |
| 145 | L | 73.6 | Confident | 77.2 | Confident | 134 Ų | 134 | 124.7 Ų | 124.7 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72 | -40 | 179.6 | -63.4 | 174.5 | 0 | 0 | 0 | 112.2 | Y143 A147 I148 V149 | Y143-L145 VanDerWaalsContact C-N 3.29Å; Y143-L145 PolarHBondContact O-N 3.37Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.46Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.08Å |
| 146 | N | 80.7 | Confident | 77.6 | Confident | 89 Ų | 89 | 128.5 Ų | 128.5 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.1 | -31.4 | -178.1 | -65.8 | -13.9 | 0 | 0 | 0 | 112.3 | Y143 K150 | Y143-N146 PolarHBondContact O-N 3.32Å; Y143-N146 VanDerWaalsContact O-N 3.13Å; N146-K150 WeakPolarHBondContact O-CB 3.31Å; N146-K150 VanDerWaalsContact O-CG 3.28Å; N146-K150 WeakPolarHBondContact O-CG 3.42Å; N146-K150 PolarHBondContact O-N 3.47Å |
| 147 | A | 83.1 | Confident | 78.3 | Confident | 54 Ų | 54 | 126 Ų | 126 | 45% | 0.446 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.1 | -48.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y143 L145 V149 K150 E151 | Y143-A147 PolarHBondContact O-N 3.22Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 3.46Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 3.35Å; A147-K150 PolarHBondContact O-N 2.98Å; A147-E151 WeakPolarHBondContact O-CB 3.48Å; A147-E151 PolarHBondContact O-N 2.91Å |
| 148 | I | 86.3 | Confident | 78.6 | Confident | 102 Ų | 102 | 118.9 Ų | 118.9 | 52% | 0.523 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.1 | -43.9 | 178.2 | -63.9 | 168.2 | 0 | 0 | 0 | 110.8 | L145 E151 S152 | L145-I148 PolarHBondContact O-N 3.41Å; I148-E151 PolarHBondContact O-N 3.11Å; I148-S152 VanDerWaalsContact O-CB 3.26Å; I148-S152 WeakPolarHBondContact O-CB 3.42Å; I148-S152 PolarHBondContact O-N 3.14Å; I148-S152 PolarHBondContact O-OG 3.39Å |
| 149 | V | 87.1 | Confident | 78.7 | Confident | 67 Ų | 67 | 121.5 Ų | 121.5 | 41% | 0.406 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63 | -45.2 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L145 A147 F153 F154 | L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.08Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 3.35Å; V149-F153 HydrophobicContact CG1-CD2 4.12Å; V149-F153 WeakPolarHBondContact O-CB 3.47Å; V149-F153 PolarHBondContact O-N 3.47Å; V149-F154 HydrophobicContact CG1-CE2 4.18Å |
| 150 | K | 84.6 | Confident | 78.8 | Confident | 148 Ų | 148 | 119.5 Ų | 119.5 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.7 | -45.2 | 177 | -79.2 | 179.4 | -179.7 | -176.4 | 0 | 112.1 | N146 A147 F154 | N146-K150 WeakPolarHBondContact O-CB 3.31Å; N146-K150 VanDerWaalsContact O-CG 3.28Å; N146-K150 WeakPolarHBondContact O-CG 3.42Å; N146-K150 PolarHBondContact O-N 3.47Å; A147-K150 PolarHBondContact O-N 2.98Å; K150-F154 WeakPolarHBondContact O-CB 3.41Å; K150-F154 PolarHBondContact O-N 3.37Å; K150-F154 VanDerWaalsContact O-O 3.09Å |
| 151 | E | 83.1 | Confident | 78.5 | Confident | 169 Ų | 169 | 118.7 Ų | 118.7 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.8 | -34.4 | -176.6 | -168.4 | 165.3 | -163.5 | 0 | 0 | 113 | A147 I148 | A147-E151 WeakPolarHBondContact O-CB 3.48Å; A147-E151 PolarHBondContact O-N 2.91Å; I148-E151 PolarHBondContact O-N 3.11Å |
| 152 | S | 86.7 | Confident | 78 | Confident | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.7 | -44.1 | -176.8 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | I148 | I148-S152 VanDerWaalsContact O-CB 3.26Å; I148-S152 WeakPolarHBondContact O-CB 3.42Å; I148-S152 PolarHBondContact O-N 3.14Å; I148-S152 PolarHBondContact O-OG 3.39Å |
| 153 | F | 84.2 | Confident | 77.4 | Confident | 161 Ų | 161 | 124.1 Ų | 124.1 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -97.3 | -26 | -170.7 | -68.8 | -83.2 | 0 | 0 | 0 | 113.5 | V149 | V149-F153 HydrophobicContact CG1-CD2 4.12Å; V149-F153 WeakPolarHBondContact O-CB 3.47Å; V149-F153 PolarHBondContact O-N 3.47Å |
| 154 | F | 84 | Confident | 76.5 | Confident | 144 Ų | 144 | 119.3 Ų | 119.3 | 63% | 0.632 | 62% | 0.618 | S | S | * | * | trans | -108.9 | 124 | -176.3 | -60.1 | -90.5 | 0 | 0 | 0 | 110.6 | V149 K150 | V149-F154 HydrophobicContact CG1-CE2 4.18Å; K150-F154 WeakPolarHBondContact O-CB 3.41Å; K150-F154 PolarHBondContact O-N 3.37Å; K150-F154 VanDerWaalsContact O-O 3.09Å | ||
| 155 | R | 79 | Confident | 75.9 | Confident | 207 Ų | 207 | 124.6 Ų | 124.6 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | trans | -98.7 | 140.3 | 174.5 | -61.5 | -178.7 | -178.1 | -175 | 0.2 | 109.1 | N157 | R155-N157 VanDerWaalsContact C-N 3.34Å; R155-N157 WeakPolarHBondContact CB-O 3.5Å | ||
| 156 | K | 76.6 | Confident | 75.5 | Confident | 213 Ų | 213 | 122.4 Ų | 122.4 | 93% | 0.926 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -68.8 | -34.6 | -178.6 | -165.6 | 177.4 | -178 | -176.9 | 0 | 112.6 | ||
| 157 | N | 73.3 | Confident | 74.5 | Confident | 93 Ų | 93 | 123.4 Ų | 123.4 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -103.5 | 126.4 | 172.2 | -54.8 | -6.9 | 0 | 0 | 0 | 105.3 | R155 P161 | R155-N157 VanDerWaalsContact C-N 3.34Å; R155-N157 WeakPolarHBondContact CB-O 3.5Å; N157-P161 PolarHBondContact ND2-O 3.23Å |
| 158 | G | 70.8 | Confident | 73.5 | Confident | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | trans | -62.6 | -137.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F160 | G158-F160 PolarHBondContact O-N 3.2Å; G158-F160 VanDerWaalsContact O-N 3.08Å | ||
| 159 | V | 71.2 | Confident | 72 | Confident | 130 Ų | 130 | 128.2 Ų | 128.2 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -59.7 | -28.2 | -173.7 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | P161 | V159-P161 WeakPolarHBondContact O-CD 3.42Š|
| 160 | F | 70.7 | Confident | 70.1 | Confident | 161 Ų | 161 | 133 Ų | 133 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -113.3 | 100.4 | 179.4 | -55.1 | -69.1 | 0 | 0 | 0 | 110.7 | G158 R162 | G158-F160 PolarHBondContact O-N 3.2Å; G158-F160 VanDerWaalsContact O-N 3.08Å; F160-R162 PolarHBondContact O-N 3.08Å | ||
| 161 | P | 64.4 | Low | 69.3 | Low | 94 Ų | 94 | 132.3 Ų | 132.3 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -72.9 | -16.7 | -179.1 | 27.6 | -34 | 0 | 0 | 0 | 113.4 | N157 V159 | N157-P161 PolarHBondContact ND2-O 3.23Å; V159-P161 WeakPolarHBondContact O-CD 3.42Å |
| 162 | R | 66.8 | Low | 68.6 | Low | 223 Ų | 223 | 130.4 Ų | 130.4 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -116.8 | 111 | 177.4 | -165.6 | 175.8 | -167.3 | -169.5 | 2.6 | 107.2 | F160 A164 | F160-R162 PolarHBondContact O-N 3.08Å; R162-A164 PolarHBondContact O-N 3.37Å; R162-A164 VanDerWaalsContact O-N 3.16Å |
| 163 | S | 64.4 | Low | 67.6 | Low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -60.8 | 117.4 | 167.8 | 51.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 164 | A | 61.4 | Low | 66.6 | Low | 45 Ų | 45 | 131.5 Ų | 131.5 | 37% | 0.372 | 74% | 0.735 | S | S | . | * | trans | -64.2 | 141.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | R162 S166 D167 | R162-A164 PolarHBondContact O-N 3.37Å; R162-A164 VanDerWaalsContact O-N 3.16Å; A164-S166 VanDerWaalsContact CB-OG 3.3Å; A164-S166 WeakPolarHBondContact CB-OG 3.3Å; A164-S166 PolarHBondContact O-N 2.96Å; A164-D167 PolarHBondContact O-N 2.98Å | ||
| 165 | T | 62.9 | Low | 65.6 | Low | 142 Ų | 142 | 130.7 Ų | 130.7 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -13.9 | 176.5 | 41.1 | 0 | 0 | 0 | 0 | 112.9 | T168 | T165-T168 PolarHBondContact O-OG1 3.36Š|
| 166 | S | 63.6 | Low | 64.7 | Low | 88 Ų | 88 | 125.6 Ų | 125.6 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -17.7 | 172.7 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | A164 | A164-S166 VanDerWaalsContact CB-OG 3.3Å; A164-S166 WeakPolarHBondContact CB-OG 3.3Å; A164-S166 PolarHBondContact O-N 2.96Å |
| 167 | D | 60.6 | Low | 63.8 | Low | 111 Ų | 111 | 119.4 Ų | 119.4 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -90.4 | -10.1 | -171 | -65.2 | -15.1 | 0 | 0 | 0 | 113.3 | A164 V169 | A164-D167 PolarHBondContact O-N 2.98Å; D167-V169 PolarHBondContact O-N 3.16Å |
| 168 | T | 62.4 | Low | 63.1 | Low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | -84.1 | 83.1 | 170.4 | 29.7 | 0 | 0 | 0 | 0 | 110.4 | T165 | T165-T168 PolarHBondContact O-OG1 3.36Š| ||
| 169 | V | 54.2 | Low | 62.4 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | -84.9 | 129.7 | 164.1 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | D167 | D167-V169 PolarHBondContact O-N 3.16Š| ||
| 170 | A | 46.6 | Very low | 61.6 | Low | 168 Ų | 168 | 126.4 Ų | 126.4 | 100% | 1.388 | 75% | 0.752 | S | S | * | * | trans | -60.4 | 0 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 |
Retrieved 170 of 170 residues in 35 ms
(Link to these results)