| 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 | 55.8 | Low | 87.5 | Confident | 241 Ų | 241 | 123.5 Ų | 123.5 | 100% | 1.187 | 63% | 0.629 | S | S | * | * | 0 | 123.6 | 0 | -73.7 | -167 | -83.5 | 0 | 0 | 108.1 | |||||
| 2 | T | 67.8 | Low | 88.3 | Confident | 118 Ų | 118 | 118.2 Ų | 118.2 | 72% | 0.724 | 61% | 0.612 | S | S | * | * | trans | -68.3 | 131.2 | 173.4 | 42.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | S | 87.9 | Confident | 89 | Confident | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 61% | 0.611 | S | S | . | * | trans | -56.3 | 139.6 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | F5 A6 Q7 | S3-F5 PolarHBondContact O-N 3.17Å; S3-F5 VanDerWaalsContact O-N 3.11Å; S3-F5 PolarHBondContact OG-N 2.89Å; S3-A6 WeakPolarHBondContact O-CB 3.46Å; S3-A6 PolarHBondContact O-N 3.47Å; S3-Q7 PolarHBondContact O-N 3.39Å | ||
| 4 | L | 89.8 | Confident | 89.6 | Confident | 145 Ų | 145 | 122.9 Ų | 122.9 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.5 | -35.7 | 175.2 | -72.2 | 169.5 | 0 | 0 | 0 | 111.9 | Q7 E8 | L4-Q7 WeakPolarHBondContact O-CB 3.21Å; L4-Q7 PolarHBondContact O-N 2.89Å; L4-E8 PolarHBondContact O-N 3.22Å |
| 5 | F | 91.3 | Very high | 90.1 | Very high | 148 Ų | 148 | 121.9 Ų | 121.9 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.5 | -41.4 | 177 | -177.9 | -111.4 | 0 | 0 | 0 | 113.1 | S3 Q7 E8 I9 | S3-F5 PolarHBondContact O-N 3.17Å; S3-F5 VanDerWaalsContact O-N 3.11Å; S3-F5 PolarHBondContact OG-N 2.89Å; F5-Q7 VanDerWaalsContact C-N 3.27Å; F5-Q7 PolarHBondContact O-N 3.26Å; F5-E8 PolarHBondContact O-N 3.45Å; F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 3.34Å; F5-I9 HydrophobicContact CE1-CG1 4.43Å; F5-I9 HydrophobicContact CE2-CD1 4.2Å; F5-I9 HydrophobicContact CG-CD1 4.37Å; F5-I9 HydrophobicContact CZ-CD1 3.59Å; F5-I9 HydrophobicContact CZ-CG1 4.33Å; F5-I9 WeakPolarHBondContact O-CG1 3.42Å; F5-I9 PolarHBondContact O-N 3.36Å; F5-I9 VanDerWaalsContact O-N 3.1Å |
| 6 | A | 93.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 121.4 Ų | 121.4 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.8 | -31 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S3 R10 | S3-A6 WeakPolarHBondContact O-CB 3.46Å; S3-A6 PolarHBondContact O-N 3.47Å; A6-R10 PolarHBondContact O-N 2.89Å |
| 7 | Q | 94.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 119.4 Ų | 119.4 | 45% | 0.453 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.7 | -43.4 | 174.6 | -178.2 | 172.1 | -6.6 | 0 | 0 | 111.8 | S3 L4 F5 R10 L11 | S3-Q7 PolarHBondContact O-N 3.39Å; L4-Q7 WeakPolarHBondContact O-CB 3.21Å; L4-Q7 PolarHBondContact O-N 2.89Å; F5-Q7 VanDerWaalsContact C-N 3.27Å; F5-Q7 PolarHBondContact O-N 3.26Å; Q7-R10 PolarHBondContact O-N 3.18Å; Q7-L11 PolarHBondContact O-N 3.34Å |
| 8 | E | 94.4 | Very high | 91.5 | Very high | 121 Ų | 121 | 118.5 Ų | 118.5 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61 | -46.8 | 177.3 | -170.2 | 58.9 | -144.8 | 0 | 0 | 111.7 | L4 F5 R10 L11 S12 | L4-E8 PolarHBondContact O-N 3.22Å; F5-E8 PolarHBondContact O-N 3.45Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.31Å; E8-L11 PolarHBondContact O-N 3.04Å; E8-L11 VanDerWaalsContact O-N 3.1Å; E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 2.87Å |
| 9 | I | 95.4 | Very high | 91.9 | Very high | 91 Ų | 91 | 115.6 Ų | 115.6 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.1 | -44.2 | 176 | -69.1 | 167.8 | 0 | 0 | 0 | 111.1 | F5 L11 S12 K13 | F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 3.34Å; F5-I9 HydrophobicContact CE1-CG1 4.43Å; F5-I9 HydrophobicContact CE2-CD1 4.2Å; F5-I9 HydrophobicContact CG-CD1 4.37Å; F5-I9 HydrophobicContact CZ-CD1 3.59Å; F5-I9 HydrophobicContact CZ-CG1 4.33Å; F5-I9 WeakPolarHBondContact O-CG1 3.42Å; F5-I9 PolarHBondContact O-N 3.36Å; F5-I9 VanDerWaalsContact O-N 3.1Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.26Å; I9-S12 PolarHBondContact O-N 3.41Å; I9-K13 WeakPolarHBondContact O-CB 3.26Å; I9-K13 PolarHBondContact O-N 3.27Å |
| 10 | R | 96.1 | Very high | 92.2 | Very high | 167 Ų | 167 | 113.2 Ų | 113.2 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -38.4 | 179 | -171.1 | -177.9 | 70.4 | 170.9 | 1.2 | 111.7 | A6 Q7 E8 R14 | A6-R10 PolarHBondContact O-N 2.89Å; Q7-R10 PolarHBondContact O-N 3.18Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.31Å; R10-R14 PolarHBondContact O-N 3.47Å; R10-R14 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 96.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 114.1 Ų | 114.1 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.4 | -44.8 | 179.5 | -154.5 | 77.4 | 0 | 0 | 0 | 111 | Q7 E8 I9 K13 R14 H15 | Q7-L11 PolarHBondContact O-N 3.34Å; E8-L11 PolarHBondContact O-N 3.04Å; E8-L11 VanDerWaalsContact O-N 3.1Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.26Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3.2Å; L11-R14 PolarHBondContact O-N 3.4Å; L11-H15 PolarHBondContact O-N 3.27Å |
| 12 | S | 96.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 111 Ų | 111 | 42% | 0.42 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | E8 I9 R14 H15 E16 | E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 2.87Å; I9-S12 PolarHBondContact O-N 3.41Å; S12-R14 PolarHBondContact O-N 2.87Å; S12-H15 WeakPolarHBondContact O-CB 3.49Å; S12-H15 PolarHBondContact O-N 2.97Å; S12-E16 PolarHBondContact O-N 3.43Å |
| 13 | K | 97.3 | Very high | 95.9 | Very high | 137 Ų | 137 | 110.9 Ų | 110.9 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.1 | -45 | 174.7 | -174.1 | 176.9 | 177.6 | -179.5 | 0 | 112.5 | I9 L11 H15 E16 E17 | I9-K13 WeakPolarHBondContact O-CB 3.26Å; I9-K13 PolarHBondContact O-N 3.27Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3.2Å; K13-H15 VanDerWaalsContact C-N 3.29Å; K13-H15 PolarHBondContact O-N 3.08Å; K13-E16 PolarHBondContact O-N 3.45Å; K13-E17 VanDerWaalsContact CE-OE1 3.3Å; K13-E17 WeakPolarHBondContact CE-OE1 3.43Å; K13-E17 WeakPolarHBondContact O-CG 3.47Å; K13-E17 PolarHBondContact O-N 3.08Å |
| 14 | R | 97.6 | Very high | 96.4 | Very high | 165 Ų | 165 | 112.9 Ų | 112.9 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 174.4 | -89.8 | -163.1 | 178.3 | -149.6 | 0.7 | 112.4 | R10 L11 S12 E17 I18 | R10-R14 PolarHBondContact O-N 3.47Å; R10-R14 VanDerWaalsContact O-N 3.11Å; L11-R14 PolarHBondContact O-N 3.4Å; S12-R14 PolarHBondContact O-N 2.87Å; R14-E17 PolarHBondContact O-N 3.38Å; R14-I18 WeakPolarHBondContact O-CD1 3.19Å; R14-I18 VanDerWaalsContact O-CG1 3.25Å; R14-I18 WeakPolarHBondContact O-CG1 3.39Å; R14-I18 PolarHBondContact O-N 3.29Å |
| 15 | H | 97.9 | Very high | 96.8 | Very high | 109 Ų | 109 | 110.7 Ų | 110.7 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 178 | -177.6 | 70.1 | 0 | 0 | 0 | 111 | L11 S12 K13 E17 I18 V19 | L11-H15 PolarHBondContact O-N 3.27Å; S12-H15 WeakPolarHBondContact O-CB 3.49Å; S12-H15 PolarHBondContact O-N 2.97Å; K13-H15 VanDerWaalsContact C-N 3.29Å; K13-H15 PolarHBondContact O-N 3.08Å; H15-E17 VanDerWaalsContact C-N 3.3Å; H15-E17 PolarHBondContact O-N 3.09Å; H15-I18 PolarHBondContact O-N 3.27Å; H15-I18 VanDerWaalsContact O-N 3.1Å; H15-V19 WeakPolarHBondContact O-CG2 3.49Å; H15-V19 PolarHBondContact O-N 2.85Å |
| 16 | E | 98.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 107.9 Ų | 107.9 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 176 | -67.2 | -56 | 145.8 | 0 | 0 | 112.3 | S12 K13 V19 S20 | S12-E16 PolarHBondContact O-N 3.43Å; K13-E16 PolarHBondContact O-N 3.45Å; E16-V19 PolarHBondContact O-N 3.32Å; E16-S20 WeakPolarHBondContact O-CB 3.37Å; E16-S20 PolarHBondContact O-N 3.06Å; E16-S20 PolarHBondContact O-OG 2.88Å |
| 17 | E | 98.3 | Very high | 97.3 | Very high | 87 Ų | 87 | 110.8 Ų | 110.8 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 173.1 | -73.3 | 168.6 | -173.3 | 0 | 0 | 111.8 | K13 R14 H15 S20 Q21 | K13-E17 VanDerWaalsContact CE-OE1 3.3Å; K13-E17 WeakPolarHBondContact CE-OE1 3.43Å; K13-E17 WeakPolarHBondContact O-CG 3.47Å; K13-E17 PolarHBondContact O-N 3.08Å; R14-E17 PolarHBondContact O-N 3.38Å; H15-E17 VanDerWaalsContact C-N 3.3Å; H15-E17 PolarHBondContact O-N 3.09Å; E17-S20 WeakPolarHBondContact CA-OG 3.37Å; E17-S20 PolarHBondContact O-OG 2.89Å; E17-Q21 WeakPolarHBondContact O-CB 3.48Å; E17-Q21 VanDerWaalsContact O-CG 3.24Å; E17-Q21 WeakPolarHBondContact O-CG 3.18Å; E17-Q21 PolarHBondContact O-N 3.42Å |
| 18 | I | 98.3 | Very high | 97.4 | Very high | 103 Ų | 103 | 111.2 Ų | 111.2 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 177.3 | -69.2 | 163.7 | 0 | 0 | 0 | 111 | R14 H15 Q21 R22 | R14-I18 WeakPolarHBondContact O-CD1 3.19Å; R14-I18 VanDerWaalsContact O-CG1 3.25Å; R14-I18 WeakPolarHBondContact O-CG1 3.39Å; R14-I18 PolarHBondContact O-N 3.29Å; H15-I18 PolarHBondContact O-N 3.27Å; H15-I18 VanDerWaalsContact O-N 3.1Å; I18-Q21 PolarHBondContact O-N 2.74Å; I18-R22 WeakPolarHBondContact O-CB 3.17Å; I18-R22 PolarHBondContact O-N 2.92Å |
| 19 | V | 98.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 111.1 Ų | 111.1 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | -179.6 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | H15 E16 R22 L23 | H15-V19 WeakPolarHBondContact O-CG2 3.49Å; H15-V19 PolarHBondContact O-N 2.85Å; E16-V19 PolarHBondContact O-N 3.32Å; V19-R22 PolarHBondContact O-N 3.42Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 PolarHBondContact O-N 3.01Å |
| 20 | S | 98.2 | Very high | 97.4 | Very high | 66 Ų | 66 | 113.5 Ų | 113.5 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.4 | 56 | 0 | 0 | 0 | 0 | 112.6 | E16 E17 L23 M24 | E16-S20 WeakPolarHBondContact O-CB 3.37Å; E16-S20 PolarHBondContact O-N 3.06Å; E16-S20 PolarHBondContact O-OG 2.88Å; E17-S20 WeakPolarHBondContact CA-OG 3.37Å; E17-S20 PolarHBondContact O-OG 2.89Å; S20-L23 PolarHBondContact O-N 2.94Å; S20-M24 PolarHBondContact O-N 3.48Å |
| 21 | Q | 98.3 | Very high | 97.3 | Very high | 134 Ų | 134 | 109.7 Ų | 109.7 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 174.4 | -74 | 174.6 | 11.9 | 0 | 0 | 112.2 | E17 I18 L23 M24 L25 | E17-Q21 WeakPolarHBondContact O-CB 3.48Å; E17-Q21 VanDerWaalsContact O-CG 3.24Å; E17-Q21 WeakPolarHBondContact O-CG 3.18Å; E17-Q21 PolarHBondContact O-N 3.42Å; I18-Q21 PolarHBondContact O-N 2.74Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.18Å; Q21-M24 PolarHBondContact O-N 3.45Å; Q21-L25 PolarHBondContact O-N 3.43Å |
| 22 | R | 98.3 | Very high | 97.2 | Very high | 176 Ų | 176 | 111.1 Ų | 111.1 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 177.5 | -175.4 | 179.6 | -179.8 | -132 | -0.4 | 111.4 | I18 V19 L25 L26 | I18-R22 WeakPolarHBondContact O-CB 3.17Å; I18-R22 PolarHBondContact O-N 2.92Å; V19-R22 PolarHBondContact O-N 3.42Å; R22-L25 PolarHBondContact O-N 3.27Å; R22-L26 HydrophobicContact CG-CD1 4.1Å; R22-L26 HydrophobicContact CG-CG 4.49Å; R22-L26 WeakPolarHBondContact O-CG 3.41Å; R22-L26 PolarHBondContact O-N 3.47Å |
| 23 | L | 98.2 | Very high | 96.9 | Very high | 115 Ų | 115 | 114 Ų | 114 | 60% | 0.602 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.5 | -47.3 | 177.5 | -177.6 | 65.5 | 0 | 0 | 0 | 111.1 | V19 S20 Q21 L25 L26 Q27 | V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 PolarHBondContact O-N 3.01Å; S20-L23 PolarHBondContact O-N 2.94Å; Q21-L23 VanDerWaalsContact C-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.18Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 2.96Å; L23-L26 PolarHBondContact O-N 3.33Å; L23-Q27 PolarHBondContact O-N 3.49Å |
| 24 | M | 97.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 109.2 Ų | 109.2 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.5 | -44.8 | 177.4 | -176.6 | -177.4 | 174.1 | 0 | 0 | 111.9 | S20 Q21 Q27 Q28 | S20-M24 PolarHBondContact O-N 3.48Å; Q21-M24 PolarHBondContact O-N 3.45Å; M24-Q27 PolarHBondContact O-N 3.46Å; M24-Q28 WeakPolarHBondContact O-CG 3.31Å; M24-Q28 PolarHBondContact O-N 3.41Å |
| 25 | L | 97.9 | Very high | 96 | Very high | 98 Ų | 98 | 106.5 Ų | 106.5 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 179.2 | -177.7 | 64 | 0 | 0 | 0 | 111.9 | Q21 R22 L23 Q27 Q28 M29 | Q21-L25 PolarHBondContact O-N 3.43Å; R22-L25 PolarHBondContact O-N 3.27Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 2.96Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 3Å; L25-Q28 PolarHBondContact O-N 2.81Å; L25-M29 HydrophobicContact CG-SD 4.31Å; L25-M29 VanDerWaalsContact O-CG 3.32Å; L25-M29 WeakPolarHBondContact O-CG 3.49Å; L25-M29 PolarHBondContact O-N 2.86Å |
| 26 | L | 97.4 | Very high | 95.4 | Very high | 89 Ų | 89 | 105.1 Ų | 105.1 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.3 | -74.8 | 170.7 | 0 | 0 | 0 | 111.4 | R22 L23 Q28 M29 E30 | R22-L26 HydrophobicContact CG-CD1 4.1Å; R22-L26 HydrophobicContact CG-CG 4.49Å; R22-L26 WeakPolarHBondContact O-CG 3.41Å; R22-L26 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 3.33Å; L26-Q28 PolarHBondContact O-N 3.29Å; L26-M29 PolarHBondContact O-N 2.94Å; L26-E30 PolarHBondContact O-N 2.83Å |
| 27 | Q | 97.1 | Very high | 94.9 | Very high | 112 Ų | 112 | 106.2 Ų | 106.2 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 177.1 | -171.9 | 171.8 | 2.4 | 0 | 0 | 112.1 | L23 M24 L25 M29 E30 N31 | L23-Q27 PolarHBondContact O-N 3.49Å; M24-Q27 PolarHBondContact O-N 3.46Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 3Å; Q27-M29 VanDerWaalsContact C-N 3.34Å; Q27-M29 PolarHBondContact O-N 2.98Å; Q27-E30 PolarHBondContact O-N 3.15Å; Q27-N31 WeakPolarHBondContact O-CB 3.41Å; Q27-N31 PolarHBondContact O-N 3.42Å; Q27-N31 PolarHBondContact O-ND2 2.92Å |
| 28 | Q | 96.5 | Very high | 94.3 | Very high | 105 Ų | 105 | 106.3 Ų | 106.3 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.2 | -74.6 | -179.4 | -15.6 | 0 | 0 | 112.5 | M24 L25 L26 K32 | M24-Q28 WeakPolarHBondContact O-CG 3.31Å; M24-Q28 PolarHBondContact O-N 3.41Å; L25-Q28 PolarHBondContact O-N 2.81Å; L26-Q28 PolarHBondContact O-N 3.29Å; Q28-K32 WeakPolarHBondContact O-CB 3.39Å; Q28-K32 PolarHBondContact O-N 3.47Å |
| 29 | M | 96.1 | Very high | 93.8 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -42.1 | 177.3 | -72 | 178.8 | 67.6 | 0 | 0 | 111.8 | L25 L26 Q27 K32 L33 | L25-M29 HydrophobicContact CG-SD 4.31Å; L25-M29 VanDerWaalsContact O-CG 3.32Å; L25-M29 WeakPolarHBondContact O-CG 3.49Å; L25-M29 PolarHBondContact O-N 2.86Å; L26-M29 PolarHBondContact O-N 2.94Å; Q27-M29 VanDerWaalsContact C-N 3.34Å; Q27-M29 PolarHBondContact O-N 2.98Å; M29-K32 PolarHBondContact O-N 3.33Å; M29-L33 WeakPolarHBondContact O-CB 3.48Å; M29-L33 PolarHBondContact O-N 2.79Å |
| 30 | E | 95 | Very high | 93.3 | Very high | 142 Ų | 142 | 109.3 Ų | 109.3 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.5 | -48.9 | 177 | -176.5 | 170.4 | -153.4 | 0 | 0 | 111.6 | L26 Q27 K32 L33 G34 | L26-E30 PolarHBondContact O-N 2.83Å; Q27-E30 PolarHBondContact O-N 3.15Å; E30-K32 PolarHBondContact O-N 3.01Å; E30-L33 PolarHBondContact O-N 2.95Å; E30-G34 PolarHBondContact O-N 3.38Å |
| 31 | N | 93.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 108.5 Ų | 108.5 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 177.4 | -68.4 | -15.3 | 0 | 0 | 0 | 111.5 | Q27 L33 G34 D35 | Q27-N31 WeakPolarHBondContact O-CB 3.41Å; Q27-N31 PolarHBondContact O-N 3.42Å; Q27-N31 PolarHBondContact O-ND2 2.92Å; N31-L33 VanDerWaalsContact C-N 3.29Å; N31-L33 PolarHBondContact O-N 2.74Å; N31-G34 PolarHBondContact O-N 2.92Å; N31-G34 VanDerWaalsContact O-N 3.14Å; N31-D35 VanDerWaalsContact O-CG 3.3Å; N31-D35 PolarHBondContact O-N 3.35Å |
| 32 | K | 94.1 | Very high | 92.5 | Very high | 134 Ų | 134 | 104.9 Ų | 104.9 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -38.3 | 179.1 | -175.5 | 177.9 | 180 | -179.1 | 0 | 112.3 | Q28 M29 E30 Q36 | Q28-K32 WeakPolarHBondContact O-CB 3.39Å; Q28-K32 PolarHBondContact O-N 3.47Å; M29-K32 PolarHBondContact O-N 3.33Å; E30-K32 PolarHBondContact O-N 3.01Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 VanDerWaalsContact O-CG 3.26Å; K32-Q36 WeakPolarHBondContact O-CG 3.42Å; K32-Q36 PolarHBondContact O-N 3.07Å; K32-Q36 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 90.4 | Very high | 92.3 | Very high | 121 Ų | 121 | 101 Ų | 101 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 176.6 | -173.2 | 71.4 | 0 | 0 | 0 | 111.1 | M29 E30 N31 Q36 H37 | M29-L33 WeakPolarHBondContact O-CB 3.48Å; M29-L33 PolarHBondContact O-N 2.79Å; E30-L33 PolarHBondContact O-N 2.95Å; N31-L33 VanDerWaalsContact C-N 3.29Å; N31-L33 PolarHBondContact O-N 2.74Å; L33-Q36 PolarHBondContact O-N 3.36Å; L33-H37 WeakPolarHBondContact O-CB 3.42Å; L33-H37 PolarHBondContact O-N 3.06Å |
| 34 | G | 87.1 | Confident | 92.1 | Very high | 37 Ų | 37 | 101.4 Ų | 101.4 | 38% | 0.381 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E30 N31 Q36 H37 T38 | E30-G34 PolarHBondContact O-N 3.38Å; N31-G34 PolarHBondContact O-N 2.92Å; N31-G34 VanDerWaalsContact O-N 3.14Å; G34-Q36 PolarHBondContact O-N 3.32Å; G34-H37 PolarHBondContact O-N 2.89Å; G34-T38 WeakPolarHBondContact O-CG2 3.46Å; G34-T38 PolarHBondContact O-N 2.83Å; G34-T38 PolarHBondContact O-OG1 3.35Å |
| 35 | D | 88.4 | Confident | 92 | Very high | 108 Ų | 108 | 102 Ų | 102 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 177.8 | -66.8 | -20.7 | 0 | 0 | 0 | 111.1 | N31 H37 T38 E39 | N31-D35 VanDerWaalsContact O-CG 3.3Å; N31-D35 PolarHBondContact O-N 3.35Å; D35-H37 VanDerWaalsContact C-N 3.31Å; D35-H37 PolarHBondContact O-N 3.49Å; D35-T38 PolarHBondContact O-N 3.05Å; D35-T38 PolarHBondContact O-OG1 3.28Å; D35-E39 WeakPolarHBondContact O-CB 3.29Å; D35-E39 PolarHBondContact O-N 3.42Å |
| 36 | Q | 87 | Confident | 91.8 | Very high | 79 Ų | 79 | 101.9 Ų | 101.9 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 177.2 | -75 | -177.2 | 4 | 0 | 0 | 113 | K32 L33 G34 K40 | K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 VanDerWaalsContact O-CG 3.26Å; K32-Q36 WeakPolarHBondContact O-CG 3.42Å; K32-Q36 PolarHBondContact O-N 3.07Å; K32-Q36 VanDerWaalsContact O-N 3.08Å; L33-Q36 PolarHBondContact O-N 3.36Å; G34-Q36 PolarHBondContact O-N 3.32Å; Q36-K40 WeakPolarHBondContact O-CB 3.38Å; Q36-K40 WeakPolarHBondContact O-CG 3.35Å; Q36-K40 PolarHBondContact O-N 3.14Å |
| 37 | H | 87 | Confident | 91.7 | Very high | 137 Ų | 137 | 102.3 Ų | 102.3 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.7 | -45.2 | 178.8 | -178.3 | -85.7 | 0 | 0 | 0 | 111.4 | L33 G34 D35 K40 A41 | L33-H37 WeakPolarHBondContact O-CB 3.42Å; L33-H37 PolarHBondContact O-N 3.06Å; G34-H37 PolarHBondContact O-N 2.89Å; D35-H37 VanDerWaalsContact C-N 3.31Å; D35-H37 PolarHBondContact O-N 3.49Å; H37-K40 PolarHBondContact O-N 3.49Å; H37-A41 WeakPolarHBondContact O-CB 3.4Å; H37-A41 PolarHBondContact O-N 3.48Å |
| 38 | T | 85.4 | Confident | 91.7 | Very high | 89 Ų | 89 | 102 Ų | 102 | 55% | 0.546 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 178.5 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | G34 D35 A41 S42 | G34-T38 WeakPolarHBondContact O-CG2 3.46Å; G34-T38 PolarHBondContact O-N 2.83Å; G34-T38 PolarHBondContact O-OG1 3.35Å; D35-T38 PolarHBondContact O-N 3.05Å; D35-T38 PolarHBondContact O-OG1 3.28Å; T38-A41 PolarHBondContact O-N 3.32Å; T38-S42 PolarHBondContact O-N 2.93Å |
| 39 | E | 87.7 | Confident | 91.8 | Very high | 106 Ų | 106 | 101 Ų | 101 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 175 | -168.5 | -171.1 | 169.1 | 0 | 0 | 111.2 | D35 A41 S42 Q43 | D35-E39 WeakPolarHBondContact O-CB 3.29Å; D35-E39 PolarHBondContact O-N 3.42Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.84Å; E39-S42 PolarHBondContact O-N 3.27Å; E39-S42 PolarHBondContact O-OG 2.84Å; E39-Q43 WeakPolarHBondContact O-CG 3.29Å; E39-Q43 PolarHBondContact O-N 2.96Å; E39-Q43 PolarHBondContact OE1-NE2 3.14Å |
| 40 | K | 88.9 | Confident | 91.9 | Very high | 125 Ų | 125 | 97.4 Ų | 97.4 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 177.8 | -76.6 | 175.4 | -179.1 | 177.7 | 0 | 112.7 | Q36 H37 Q43 L44 | Q36-K40 WeakPolarHBondContact O-CB 3.38Å; Q36-K40 WeakPolarHBondContact O-CG 3.35Å; Q36-K40 PolarHBondContact O-N 3.14Å; H37-K40 PolarHBondContact O-N 3.49Å; K40-Q43 PolarHBondContact O-N 3.24Å; K40-L44 WeakPolarHBondContact O-CB 3.33Å; K40-L44 WeakPolarHBondContact O-CG 3.4Å; K40-L44 PolarHBondContact O-N 3.03Å |
| 41 | A | 88.9 | Confident | 92 | Very high | 48 Ų | 48 | 97 Ų | 97 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H37 T38 E39 Q43 L44 Q45 | H37-A41 WeakPolarHBondContact O-CB 3.4Å; H37-A41 PolarHBondContact O-N 3.48Å; T38-A41 PolarHBondContact O-N 3.32Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 2.84Å; A41-Q43 PolarHBondContact O-N 3.42Å; A41-L44 PolarHBondContact O-N 3.45Å; A41-Q45 PolarHBondContact O-N 2.93Å |
| 42 | S | 90.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 98.9 Ų | 98.9 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 177 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | T38 E39 Q45 T46 | T38-S42 PolarHBondContact O-N 2.93Å; E39-S42 PolarHBondContact O-N 3.27Å; E39-S42 PolarHBondContact O-OG 2.84Å; S42-Q45 PolarHBondContact O-N 3.38Å; S42-T46 PolarHBondContact O-N 3.47Å; S42-T46 PolarHBondContact O-OG1 2.86Å |
| 43 | Q | 93.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 175.6 | -72.5 | 175.3 | 8.5 | 0 | 0 | 111.2 | E39 K40 A41 Q45 T46 V47 | E39-Q43 WeakPolarHBondContact O-CG 3.29Å; E39-Q43 PolarHBondContact O-N 2.96Å; E39-Q43 PolarHBondContact OE1-NE2 3.14Å; K40-Q43 PolarHBondContact O-N 3.24Å; A41-Q43 PolarHBondContact O-N 3.42Å; Q43-Q45 VanDerWaalsContact C-N 3.32Å; Q43-Q45 PolarHBondContact O-N 3.41Å; Q43-T46 WeakPolarHBondContact O-CB 3.39Å; Q43-T46 PolarHBondContact O-N 2.94Å; Q43-T46 VanDerWaalsContact O-N 3.15Å; Q43-V47 WeakPolarHBondContact O-CG2 3.48Å; Q43-V47 PolarHBondContact O-N 3.27Å |
| 44 | L | 94.4 | Very high | 92.8 | Very high | 123 Ų | 123 | 99.2 Ų | 99.2 | 64% | 0.644 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -44 | 176.5 | -78.6 | 171.9 | 0 | 0 | 0 | 111.8 | K40 A41 T46 V47 E48 | K40-L44 WeakPolarHBondContact O-CB 3.33Å; K40-L44 WeakPolarHBondContact O-CG 3.4Å; K40-L44 PolarHBondContact O-N 3.03Å; A41-L44 PolarHBondContact O-N 3.45Å; L44-T46 VanDerWaalsContact C-N 3.31Å; L44-T46 PolarHBondContact O-N 3.04Å; L44-V47 PolarHBondContact O-N 3.38Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 3.33Å |
| 45 | Q | 95.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 101.2 Ų | 101.2 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 176.6 | -174.2 | 179.7 | 11.7 | 0 | 0 | 112.1 | A41 S42 Q43 E48 T49 | A41-Q45 PolarHBondContact O-N 2.93Å; S42-Q45 PolarHBondContact O-N 3.38Å; Q43-Q45 VanDerWaalsContact C-N 3.32Å; Q43-Q45 PolarHBondContact O-N 3.41Å; Q45-E48 PolarHBondContact O-N 3.27Å; Q45-T49 WeakPolarHBondContact O-CB 2.95Å; Q45-T49 PolarHBondContact O-N 3.42Å; Q45-T49 PolarHBondContact O-OG1 2.99Å |
| 46 | T | 94.6 | Very high | 93.8 | Very high | 95 Ų | 95 | 99 Ų | 99 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -44.4 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | S42 Q43 L44 T49 A50 | S42-T46 PolarHBondContact O-N 3.47Å; S42-T46 PolarHBondContact O-OG1 2.86Å; Q43-T46 WeakPolarHBondContact O-CB 3.39Å; Q43-T46 PolarHBondContact O-N 2.94Å; Q43-T46 VanDerWaalsContact O-N 3.15Å; L44-T46 VanDerWaalsContact C-N 3.31Å; L44-T46 PolarHBondContact O-N 3.04Å; T46-T49 PolarHBondContact O-N 3.4Å; T46-A50 WeakPolarHBondContact O-CB 3.42Å; T46-A50 PolarHBondContact O-N 3.44Å |
| 47 | V | 96.2 | Very high | 94.3 | Very high | 98 Ų | 98 | 98.8 Ų | 98.8 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | Q43 L44 T49 A50 F51 | Q43-V47 WeakPolarHBondContact O-CG2 3.48Å; Q43-V47 PolarHBondContact O-N 3.27Å; L44-V47 PolarHBondContact O-N 3.38Å; V47-T49 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 2.95Å; V47-A50 PolarHBondContact O-N 3.41Å; V47-F51 VanDerWaalsContact O-CB 3.32Å; V47-F51 WeakPolarHBondContact O-CB 3.27Å; V47-F51 PolarHBondContact O-N 3.48Å |
| 48 | E | 97.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 97.8 Ų | 97.8 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 178.8 | -168 | -172.9 | 164.4 | 0 | 0 | 111.6 | L44 Q45 F51 K52 | L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 3.33Å; Q45-E48 PolarHBondContact O-N 3.27Å; E48-F51 PolarHBondContact O-N 3.1Å; E48-K52 WeakPolarHBondContact O-CG 3.44Å; E48-K52 PolarHBondContact O-N 3.17Å; E48-K52 WeakPolarHBondContact OE1-CE 3.44Å; E48-K52 IonicContact OE1-NZ 2.68Å; E48-K52 PolarHBondContact OE1-NZ 2.9Å |
| 49 | T | 97.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 177.1 | -58 | 0 | 0 | 0 | 0 | 111.2 | Q45 T46 V47 F51 K52 R53 | Q45-T49 WeakPolarHBondContact O-CB 2.95Å; Q45-T49 PolarHBondContact O-N 3.42Å; Q45-T49 PolarHBondContact O-OG1 2.99Å; T46-T49 PolarHBondContact O-N 3.4Å; V47-T49 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 2.95Å; T49-F51 VanDerWaalsContact C-N 3.33Å; T49-F51 PolarHBondContact O-N 2.66Å; T49-K52 PolarHBondContact O-N 3Å; T49-R53 WeakPolarHBondContact O-CB 3.37Å; T49-R53 PolarHBondContact O-N 3.08Å |
| 50 | A | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 99.1 Ų | 99.1 | 36% | 0.355 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T46 V47 R53 N54 | T46-A50 WeakPolarHBondContact O-CB 3.42Å; T46-A50 PolarHBondContact O-N 3.44Å; V47-A50 PolarHBondContact O-N 3.41Å; A50-R53 PolarHBondContact O-N 3.35Å; A50-N54 WeakPolarHBondContact O-CB 3.41Å; A50-N54 PolarHBondContact O-N 2.82Å; A50-N54 PolarHBondContact O-ND2 2.89Å; A50-N54 PolarHBondContact O-OD1 2.87Å |
| 51 | F | 98 | Very high | 96.4 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -48.8 | 176.1 | 178.7 | -95.8 | 0 | 0 | 0 | 111.9 | V47 E48 T49 R53 N54 L55 | V47-F51 VanDerWaalsContact O-CB 3.32Å; V47-F51 WeakPolarHBondContact O-CB 3.27Å; V47-F51 PolarHBondContact O-N 3.48Å; E48-F51 PolarHBondContact O-N 3.1Å; T49-F51 VanDerWaalsContact C-N 3.33Å; T49-F51 PolarHBondContact O-N 2.66Å; F51-R53 VanDerWaalsContact C-N 3.35Å; F51-R53 PolarHBondContact O-N 2.97Å; F51-N54 PolarHBondContact O-N 3.49Å; F51-L55 WeakPolarHBondContact O-CB 3.39Å; F51-L55 PolarHBondContact O-N 3.5Å |
| 52 | K | 98 | Very high | 96.9 | Very high | 126 Ų | 126 | 100.4 Ų | 100.4 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 177.1 | -73.7 | 175 | -175.4 | 166.9 | 0 | 111.9 | E48 T49 L55 S56 | E48-K52 WeakPolarHBondContact O-CG 3.44Å; E48-K52 PolarHBondContact O-N 3.17Å; E48-K52 WeakPolarHBondContact OE1-CE 3.44Å; E48-K52 IonicContact OE1-NZ 2.68Å; E48-K52 PolarHBondContact OE1-NZ 2.9Å; T49-K52 PolarHBondContact O-N 3Å; K52-L55 PolarHBondContact O-N 3.46Å; K52-S56 PolarHBondContact O-N 2.94Å; K52-S56 VanDerWaalsContact O-N 3.08Å |
| 53 | R | 98.1 | Very high | 97.2 | Very high | 173 Ų | 173 | 100.4 Ų | 100.4 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.3 | -49.5 | 175.2 | 174.9 | -178.6 | 165.7 | 142.9 | 0.5 | 111.4 | T49 A50 F51 L55 S56 L57 | T49-R53 WeakPolarHBondContact O-CB 3.37Å; T49-R53 PolarHBondContact O-N 3.08Å; A50-R53 PolarHBondContact O-N 3.35Å; F51-R53 VanDerWaalsContact C-N 3.35Å; F51-R53 PolarHBondContact O-N 2.97Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.39Å; R53-S56 WeakPolarHBondContact O-CB 3.44Å; R53-S56 PolarHBondContact O-N 3.3Å; R53-L57 HydrophobicContact CG-CD1 4.02Å; R53-L57 HydrophobicContact CG-CG 4.46Å; R53-L57 WeakPolarHBondContact O-CG 3.41Å; R53-L57 PolarHBondContact O-N 2.88Å |
| 54 | N | 98.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | -179 | -71 | -12.3 | 0 | 0 | 0 | 111.5 | A50 F51 S56 L57 L58 | A50-N54 WeakPolarHBondContact O-CB 3.41Å; A50-N54 PolarHBondContact O-N 2.82Å; A50-N54 PolarHBondContact O-ND2 2.89Å; A50-N54 PolarHBondContact O-OD1 2.87Å; F51-N54 PolarHBondContact O-N 3.49Å; N54-S56 VanDerWaalsContact C-N 3.34Å; N54-S56 PolarHBondContact O-N 3.34Å; N54-L57 PolarHBondContact O-N 3.35Å; N54-L58 WeakPolarHBondContact O-CG 3.47Å; N54-L58 PolarHBondContact O-N 2.76Å |
| 55 | L | 98.4 | Very high | 97.4 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.2 | -176.4 | 64.4 | 0 | 0 | 0 | 112.2 | F51 K52 R53 K59 | F51-L55 WeakPolarHBondContact O-CB 3.39Å; F51-L55 PolarHBondContact O-N 3.5Å; K52-L55 PolarHBondContact O-N 3.46Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.39Å; L55-K59 WeakPolarHBondContact O-CG 3.24Å; L55-K59 PolarHBondContact O-N 3.39Å |
| 56 | S | 98.2 | Very high | 97.2 | Very high | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -48 | 174.9 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | K52 R53 N54 L58 K59 D60 | K52-S56 PolarHBondContact O-N 2.94Å; K52-S56 VanDerWaalsContact O-N 3.08Å; R53-S56 WeakPolarHBondContact O-CB 3.44Å; R53-S56 PolarHBondContact O-N 3.3Å; N54-S56 VanDerWaalsContact C-N 3.34Å; N54-S56 PolarHBondContact O-N 3.34Å; S56-L58 VanDerWaalsContact C-N 3.29Å; S56-L58 PolarHBondContact O-N 2.96Å; S56-K59 WeakPolarHBondContact O-CB 3.48Å; S56-K59 PolarHBondContact O-N 2.99Å; S56-K59 VanDerWaalsContact O-N 3.1Å; S56-D60 VanDerWaalsContact O-CG 3.32Å; S56-D60 PolarHBondContact O-N 3.4Å |
| 57 | L | 98.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 95 Ų | 95 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 179.4 | -70.8 | 172.4 | 0 | 0 | 0 | 112.2 | R53 N54 K59 D60 I61 | R53-L57 HydrophobicContact CG-CD1 4.02Å; R53-L57 HydrophobicContact CG-CG 4.46Å; R53-L57 WeakPolarHBondContact O-CG 3.41Å; R53-L57 PolarHBondContact O-N 2.88Å; N54-L57 PolarHBondContact O-N 3.35Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 3.44Å; L57-D60 PolarHBondContact O-N 2.86Å; L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 VanDerWaalsContact O-CG1 3.24Å; L57-I61 WeakPolarHBondContact O-CG1 3.34Å; L57-I61 PolarHBondContact O-N 3.03Å |
| 58 | L | 98.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 94.9 Ų | 94.9 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 176.1 | -77.5 | 169 | 0 | 0 | 0 | 112 | N54 S56 I61 E62 | N54-L58 WeakPolarHBondContact O-CG 3.47Å; N54-L58 PolarHBondContact O-N 2.76Å; S56-L58 VanDerWaalsContact C-N 3.29Å; S56-L58 PolarHBondContact O-N 2.96Å; L58-I61 PolarHBondContact O-N 2.93Å; L58-E62 WeakPolarHBondContact O-CB 3.35Å; L58-E62 PolarHBondContact O-N 3.48Å |
| 59 | K | 98.3 | Very high | 96.3 | Very high | 127 Ų | 127 | 94.5 Ų | 94.5 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 176.3 | -70.4 | 177.8 | 178.7 | -176.2 | 0 | 112 | L55 S56 L57 I61 E62 A63 | L55-K59 WeakPolarHBondContact O-CG 3.24Å; L55-K59 PolarHBondContact O-N 3.39Å; S56-K59 WeakPolarHBondContact O-CB 3.48Å; S56-K59 PolarHBondContact O-N 2.99Å; S56-K59 VanDerWaalsContact O-N 3.1Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 3.44Å; K59-I61 VanDerWaalsContact C-N 3.35Å; K59-E62 PolarHBondContact O-N 3.04Å; K59-A63 WeakPolarHBondContact O-CB 3.36Å; K59-A63 PolarHBondContact O-N 2.94Å |
| 60 | D | 98.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 95.5 Ų | 95.5 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.7 | -63.5 | -25.9 | 0 | 0 | 0 | 111.2 | S56 L57 A63 A64 | S56-D60 VanDerWaalsContact O-CG 3.32Å; S56-D60 PolarHBondContact O-N 3.4Å; L57-D60 PolarHBondContact O-N 2.86Å; D60-A63 PolarHBondContact O-N 3.36Å; D60-A64 WeakPolarHBondContact O-CB 3.48Å; D60-A64 PolarHBondContact O-N 2.69Å |
| 61 | I | 98.1 | Very high | 94.6 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 55% | 0.554 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 175 | -70.6 | 165.5 | 0 | 0 | 0 | 110.8 | L57 L58 K59 A63 A64 E65 | L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 VanDerWaalsContact O-CG1 3.24Å; L57-I61 WeakPolarHBondContact O-CG1 3.34Å; L57-I61 PolarHBondContact O-N 3.03Å; L58-I61 PolarHBondContact O-N 2.93Å; K59-I61 VanDerWaalsContact C-N 3.35Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 3.49Å; I61-A64 PolarHBondContact O-N 2.94Å; I61-E65 WeakPolarHBondContact O-CB 3.48Å; I61-E65 PolarHBondContact O-N 3.42Å |
| 62 | E | 97.8 | Very high | 93.4 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.1 | -171.5 | -170.6 | 166.7 | 0 | 0 | 111.6 | L58 K59 E65 K66 | L58-E62 WeakPolarHBondContact O-CB 3.35Å; L58-E62 PolarHBondContact O-N 3.48Å; K59-E62 PolarHBondContact O-N 3.04Å; E62-E65 PolarHBondContact O-N 3.38Å; E62-K66 WeakPolarHBondContact O-CG 3.45Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact OE1-CE 3.33Å; E62-K66 IonicContact OE1-NZ 2.66Å; E62-K66 PolarHBondContact OE1-NZ 3.04Å |
| 63 | A | 97.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 102.5 Ų | 102.5 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K59 D60 I61 K66 S67 | K59-A63 WeakPolarHBondContact O-CB 3.36Å; K59-A63 PolarHBondContact O-N 2.94Å; D60-A63 PolarHBondContact O-N 3.36Å; I61-A63 VanDerWaalsContact C-N 3.31Å; I61-A63 PolarHBondContact O-N 3.49Å; A63-K66 PolarHBondContact O-N 3Å; A63-S67 PolarHBondContact O-N 2.68Å |
| 64 | A | 96.1 | Very high | 90.5 | Very high | 53 Ų | 53 | 98.7 Ų | 98.7 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D60 I61 S67 L68 | D60-A64 WeakPolarHBondContact O-CB 3.48Å; D60-A64 PolarHBondContact O-N 2.69Å; I61-A64 PolarHBondContact O-N 2.94Å; A64-S67 PolarHBondContact O-N 3.18Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.03Å |
| 65 | E | 94.9 | Very high | 89.2 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 176.3 | -175.4 | -176.5 | -171.1 | 0 | 0 | 111.4 | I61 E62 S67 L68 Q69 | I61-E65 WeakPolarHBondContact O-CB 3.48Å; I61-E65 PolarHBondContact O-N 3.42Å; E62-E65 PolarHBondContact O-N 3.38Å; E65-S67 VanDerWaalsContact C-N 3.28Å; E65-S67 PolarHBondContact O-N 3.41Å; E65-L68 PolarHBondContact O-N 3.42Å; E65-Q69 HydrophobicContact CG-CG 4.45Å; E65-Q69 WeakPolarHBondContact O-CG 3.32Å; E65-Q69 PolarHBondContact O-N 3.15Å; E65-Q69 PolarHBondContact OE1-NE2 3.36Å |
| 66 | K | 92.3 | Very high | 88.1 | Confident | 114 Ų | 114 | 101 Ų | 101 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 176.7 | -71.4 | 174.3 | -174.7 | 168.5 | 0 | 112 | E62 A63 L68 Q69 T70 | E62-K66 WeakPolarHBondContact O-CG 3.45Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact OE1-CE 3.33Å; E62-K66 IonicContact OE1-NZ 2.66Å; E62-K66 PolarHBondContact OE1-NZ 3.04Å; A63-K66 PolarHBondContact O-N 3Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.49Å; K66-Q69 PolarHBondContact O-N 3.08Å; K66-T70 WeakPolarHBondContact O-CG2 3.47Å; K66-T70 PolarHBondContact O-N 3Å; K66-T70 VanDerWaalsContact O-N 3.14Å; K66-T70 PolarHBondContact O-OG1 3.22Å; K66-T70 VanDerWaalsContact O-OG1 3.14Å |
| 67 | S | 91.6 | Very high | 87.3 | Confident | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -35.8 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | A63 A64 E65 T70 R71 | A63-S67 PolarHBondContact O-N 2.68Å; A64-S67 PolarHBondContact O-N 3.18Å; E65-S67 VanDerWaalsContact C-N 3.28Å; E65-S67 PolarHBondContact O-N 3.41Å; S67-T70 PolarHBondContact O-OG1 3.46Å; S67-R71 WeakPolarHBondContact O-CG 3.34Å; S67-R71 PolarHBondContact O-N 3.48Å |
| 68 | L | 89.1 | Confident | 86.6 | Confident | 97 Ų | 97 | 108.1 Ų | 108.1 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.5 | -42.8 | 175.7 | -73.2 | 173.5 | 0 | 0 | 0 | 112 | A64 E65 K66 T70 R71 I72 | A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.03Å; E65-L68 PolarHBondContact O-N 3.42Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.49Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 2.91Å; L68-R71 CarbonylContact O-C 3.52Å; L68-R71 WeakPolarHBondContact O-CA 3.42Å; L68-R71 WeakPolarHBondContact O-CB 3.33Å; L68-R71 PolarHBondContact O-N 2.95Å; L68-I72 HydrophobicContact CB-CD1 4.22Å; L68-I72 WeakPolarHBondContact O-CB 3.35Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.39Å; L68-I72 PolarHBondContact O-N 3.36Å |
| 69 | Q | 86.9 | Confident | 86.1 | Confident | 96 Ų | 96 | 108.4 Ų | 108.4 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.9 | -43.8 | 176.9 | -73.8 | 176.6 | -0.6 | 0 | 0 | 111.6 | E65 K66 R71 I72 H73 | E65-Q69 HydrophobicContact CG-CG 4.45Å; E65-Q69 WeakPolarHBondContact O-CG 3.32Å; E65-Q69 PolarHBondContact O-N 3.15Å; E65-Q69 PolarHBondContact OE1-NE2 3.36Å; K66-Q69 PolarHBondContact O-N 3.08Å; Q69-R71 PolarHBondContact O-N 3.14Å; Q69-I72 PolarHBondContact O-N 3.33Å; Q69-H73 PolarHBondContact O-N 2.99Å |
| 70 | T | 80.3 | Confident | 85.6 | Confident | 105 Ų | 105 | 106 Ų | 106 | 64% | 0.644 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.7 | -27.9 | 174.8 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | K66 S67 L68 | K66-T70 WeakPolarHBondContact O-CG2 3.47Å; K66-T70 PolarHBondContact O-N 3Å; K66-T70 VanDerWaalsContact O-N 3.14Å; K66-T70 PolarHBondContact O-OG1 3.22Å; K66-T70 VanDerWaalsContact O-OG1 3.14Å; S67-T70 PolarHBondContact O-OG1 3.46Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 2.91Å |
| 71 | R | 79.1 | Confident | 85.2 | Confident | 185 Ų | 185 | 104.1 Ų | 104.1 | 70% | 0.698 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.2 | -31.5 | 176 | -72.9 | 178.4 | -180 | -146.7 | 1.6 | 114.2 | S67 L68 Q69 P74 | S67-R71 WeakPolarHBondContact O-CG 3.34Å; S67-R71 PolarHBondContact O-N 3.48Å; L68-R71 CarbonylContact O-C 3.52Å; L68-R71 WeakPolarHBondContact O-CA 3.42Å; L68-R71 WeakPolarHBondContact O-CB 3.33Å; L68-R71 PolarHBondContact O-N 2.95Å; Q69-R71 PolarHBondContact O-N 3.14Å; R71-P74 VanDerWaalsContact O-CD 3.27Å; R71-P74 WeakPolarHBondContact O-CD 3.42Å |
| 72 | I | 73.6 | Confident | 84.9 | Confident | 119 Ų | 119 | 102 Ų | 102 | 61% | 0.61 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -82.1 | -25.8 | -177.2 | -68.8 | 167.5 | 0 | 0 | 0 | 111.4 | L68 Q69 P74 | L68-I72 HydrophobicContact CB-CD1 4.22Å; L68-I72 WeakPolarHBondContact O-CB 3.35Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.39Å; L68-I72 PolarHBondContact O-N 3.36Å; Q69-I72 PolarHBondContact O-N 3.33Å; I72-P74 WeakPolarHBondContact O-CD 3.38Å |
| 73 | H | 65.6 | Low | 84.8 | Confident | 147 Ų | 147 | 103 Ų | 103 | 68% | 0.681 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -102.5 | 58.5 | 166.9 | -61.2 | -61.9 | 0 | 0 | 0 | 111.6 | Q69 L75 | Q69-H73 PolarHBondContact O-N 2.99Å; H73-L75 PolarHBondContact O-N 3.35Å |
| 74 | P | 70 | Confident | 84.6 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 118.1 | 168.7 | 29.5 | -25 | 0 | 0 | 0 | 105.8 | R71 I72 P76 | R71-P74 VanDerWaalsContact O-CD 3.27Å; R71-P74 WeakPolarHBondContact O-CD 3.42Å; I72-P74 WeakPolarHBondContact O-CD 3.38Å; P74-P76 VanDerWaalsContact O-N 3.16Å |
| 75 | L | 70.3 | Confident | 84.6 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 126.9 | 167.4 | -170.9 | 73.1 | 0 | 0 | 0 | 106.5 | H73 R77 | H73-L75 PolarHBondContact O-N 3.35Å; L75-R77 PolarHBondContact O-N 3.28Å |
| 76 | P | 76.1 | Confident | 84.6 | Confident | 65 Ų | 65 | 110.5 Ų | 110.5 | 42% | 0.422 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 138.6 | 178.1 | 15.4 | -27.5 | 0 | 0 | 0 | 108.9 | P74 V81 | P74-P76 VanDerWaalsContact O-N 3.16Å; P76-V81 HydrophobicContact CB-CG2 3.85Å; P76-V81 HydrophobicContact CG-CG2 3.64Å |
| 77 | R | 80.1 | Confident | 84.8 | Confident | 189 Ų | 189 | 111.8 Ų | 111.8 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.6 | -177.6 | -68.2 | -170.3 | 177.8 | -145.2 | 1.3 | 109.2 | L75 E79 V80 V81 | L75-R77 PolarHBondContact O-N 3.28Å; R77-E79 WeakPolarHBondContact CB-OE2 3.48Å; R77-E79 PolarHBondContact O-N 3.03Å; R77-V80 HydrophobicContact CB-CG2 4.21Å; R77-V80 WeakPolarHBondContact O-CA 3.44Å; R77-V80 WeakPolarHBondContact O-CB 3.2Å; R77-V80 PolarHBondContact O-N 3.28Å; R77-V81 PolarHBondContact O-N 3.36Å; R77-V81 VanDerWaalsContact O-N 3.15Å |
| 78 | P | 83.8 | Confident | 85 | Confident | 99 Ų | 99 | 115.9 Ų | 115.9 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -51.9 | -33 | -176.5 | -27.9 | 35.2 | 0 | 0 | 0 | 113.7 | V81 S82 | P78-V81 PolarHBondContact O-N 3.44Å; P78-S82 WeakPolarHBondContact O-CB 3.44Å; P78-S82 PolarHBondContact O-N 3Å |
| 79 | E | 88.7 | Confident | 85.3 | Confident | 121 Ų | 121 | 113.9 Ų | 113.9 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 176.1 | -57.2 | 79.6 | -173.3 | 0 | 0 | 112.1 | R77 S82 L83 | R77-E79 WeakPolarHBondContact CB-OE2 3.48Å; R77-E79 PolarHBondContact O-N 3.03Å; E79-S82 PolarHBondContact O-N 3Å; E79-L83 WeakPolarHBondContact O-CB 3.37Å; E79-L83 VanDerWaalsContact O-CG 3.29Å; E79-L83 WeakPolarHBondContact O-CG 3.47Å; E79-L83 PolarHBondContact O-N 3.39Å |
| 80 | V | 88 | Confident | 85.7 | Confident | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.2 | -42.1 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | R77 L83 E84 | R77-V80 HydrophobicContact CB-CG2 4.21Å; R77-V80 WeakPolarHBondContact O-CA 3.44Å; R77-V80 WeakPolarHBondContact O-CB 3.2Å; R77-V80 PolarHBondContact O-N 3.28Å; V80-L83 PolarHBondContact O-N 3.47Å; V80-E84 WeakPolarHBondContact O-CB 3.35Å; V80-E84 PolarHBondContact O-N 2.95Å |
| 81 | V | 89.2 | Confident | 86.3 | Confident | 56 Ų | 56 | 108.3 Ų | 108.3 | 34% | 0.339 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | P76 R77 P78 E84 T85 | P76-V81 HydrophobicContact CB-CG2 3.85Å; P76-V81 HydrophobicContact CG-CG2 3.64Å; R77-V81 PolarHBondContact O-N 3.36Å; R77-V81 VanDerWaalsContact O-N 3.15Å; P78-V81 PolarHBondContact O-N 3.44Å; V81-E84 PolarHBondContact O-N 2.99Å; V81-T85 WeakPolarHBondContact O-CB 3.26Å; V81-T85 PolarHBondContact O-N 3.49Å; V81-T85 PolarHBondContact O-OG1 3Å |
| 82 | S | 92.6 | Very high | 87.1 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 43% | 0.434 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | P78 E79 T85 R86 | P78-S82 WeakPolarHBondContact O-CB 3.44Å; P78-S82 PolarHBondContact O-N 3Å; E79-S82 PolarHBondContact O-N 3Å; S82-T85 PolarHBondContact O-N 3.23Å; S82-R86 WeakPolarHBondContact O-CB 3.21Å; S82-R86 PolarHBondContact O-N 3.47Å |
| 83 | L | 94.6 | Very high | 88.1 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 175.4 | -77 | 170.6 | 0 | 0 | 0 | 112.2 | E79 V80 T85 R86 Y87 | E79-L83 WeakPolarHBondContact O-CB 3.37Å; E79-L83 VanDerWaalsContact O-CG 3.29Å; E79-L83 WeakPolarHBondContact O-CG 3.47Å; E79-L83 PolarHBondContact O-N 3.39Å; V80-L83 PolarHBondContact O-N 3.47Å; L83-T85 VanDerWaalsContact C-N 3.35Å; L83-T85 PolarHBondContact O-N 3.38Å; L83-R86 PolarHBondContact O-N 3.03Å; L83-Y87 VanDerWaalsContact O-CB 3.31Å; L83-Y87 WeakPolarHBondContact O-CB 3.45Å; L83-Y87 PolarHBondContact O-N 3.21Å |
| 84 | E | 94.1 | Very high | 89.3 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.4 | 179 | 172.3 | -166.7 | 0 | 0 | 111.1 | V80 V81 R86 Y87 W88 | V80-E84 WeakPolarHBondContact O-CB 3.35Å; V80-E84 PolarHBondContact O-N 2.95Å; V81-E84 PolarHBondContact O-N 2.99Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.4Å; E84-Y87 PolarHBondContact O-N 2.94Å; E84-W88 PolarHBondContact O-N 3.07Å |
| 85 | T | 94.9 | Very high | 90.5 | Very high | 90 Ų | 90 | 101.5 Ų | 101.5 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.4 | -46.4 | 177 | -54.7 | 0 | 0 | 0 | 0 | 111 | V81 S82 L83 W88 A89 | V81-T85 WeakPolarHBondContact O-CB 3.26Å; V81-T85 PolarHBondContact O-N 3.49Å; V81-T85 PolarHBondContact O-OG1 3Å; S82-T85 PolarHBondContact O-N 3.23Å; L83-T85 VanDerWaalsContact C-N 3.35Å; L83-T85 PolarHBondContact O-N 3.38Å; T85-W88 PolarHBondContact O-N 2.97Å; T85-A89 WeakPolarHBondContact O-CB 3.32Å; T85-A89 PolarHBondContact O-N 3.38Å |
| 86 | R | 95.5 | Very high | 91.6 | Very high | 180 Ų | 180 | 97.1 Ų | 97.1 | 68% | 0.679 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.3 | -38.3 | 179.2 | -169.2 | 177 | -60.1 | -169.5 | 0.5 | 112.2 | S82 L83 E84 S90 | S82-R86 WeakPolarHBondContact O-CB 3.21Å; S82-R86 PolarHBondContact O-N 3.47Å; L83-R86 PolarHBondContact O-N 3.03Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.4Å; R86-S90 WeakPolarHBondContact O-CB 3.41Å; R86-S90 PolarHBondContact O-N 3.5Å |
| 87 | Y | 95.8 | Very high | 92.3 | Very high | 141 Ų | 141 | 97.6 Ų | 97.6 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.2 | -51.2 | 175.6 | 170.9 | -96.2 | 0 | 0 | 0 | 110.7 | L83 E84 A89 S90 V91 | L83-Y87 VanDerWaalsContact O-CB 3.31Å; L83-Y87 WeakPolarHBondContact O-CB 3.45Å; L83-Y87 PolarHBondContact O-N 3.21Å; E84-Y87 PolarHBondContact O-N 2.94Å; Y87-A89 PolarHBondContact O-N 3.05Å; Y87-S90 WeakPolarHBondContact O-CB 3.48Å; Y87-S90 PolarHBondContact O-N 2.91Å; Y87-V91 HydrophobicContact CD1-CG2 4.19Å; Y87-V91 HydrophobicContact CD2-CG2 4.4Å; Y87-V91 HydrophobicContact CE1-CG2 3.72Å; Y87-V91 HydrophobicContact CE2-CG2 3.96Å; Y87-V91 WeakPolarHBondContact O-CG2 3.3Å; Y87-V91 PolarHBondContact O-N 2.89Å |
| 88 | W | 96.2 | Very high | 92.9 | Very high | 145 Ų | 145 | 93 Ų | 93 | 55% | 0.549 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 179.5 | -73.6 | 119.2 | 0 | 0 | 0 | 112.8 | E84 T85 S90 V91 E92 | E84-W88 PolarHBondContact O-N 3.07Å; T85-W88 PolarHBondContact O-N 2.97Å; W88-S90 VanDerWaalsContact C-N 3.33Å; W88-S90 PolarHBondContact O-N 3.32Å; W88-V91 HydrophobicContact CE3-CB 4.31Å; W88-V91 HydrophobicContact CE3-CG1 4.26Å; W88-V91 HydrophobicContact CZ3-CG1 4.36Å; W88-V91 PolarHBondContact O-N 3.02Å; W88-E92 WeakPolarHBondContact O-CB 3.37Å; W88-E92 PolarHBondContact O-N 3.32Å |
| 89 | A | 96.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 93.8 Ų | 93.8 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | T85 Y87 E92 E93 | T85-A89 WeakPolarHBondContact O-CB 3.32Å; T85-A89 PolarHBondContact O-N 3.38Å; Y87-A89 PolarHBondContact O-N 3.05Å; A89-E92 PolarHBondContact O-N 3.11Å; A89-E93 WeakPolarHBondContact O-CB 3.24Å; A89-E93 PolarHBondContact O-N 3.43Å |
| 90 | S | 94.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 93.1 Ų | 93.1 | 34% | 0.336 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 174 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | R86 Y87 W88 E92 E93 Y94 | R86-S90 WeakPolarHBondContact O-CB 3.41Å; R86-S90 PolarHBondContact O-N 3.5Å; Y87-S90 WeakPolarHBondContact O-CB 3.48Å; Y87-S90 PolarHBondContact O-N 2.91Å; W88-S90 VanDerWaalsContact C-N 3.33Å; W88-S90 PolarHBondContact O-N 3.32Å; S90-E92 VanDerWaalsContact C-N 3.3Å; S90-E92 PolarHBondContact O-N 3.46Å; S90-E93 WeakPolarHBondContact O-CB 3.32Å; S90-E93 PolarHBondContact O-N 2.97Å; S90-Y94 WeakPolarHBondContact O-CD2 3.49Å; S90-Y94 PolarHBondContact O-N 2.85Å; S90-Y94 WeakPolarHBondContact OG-CD2 3.46Å |
| 91 | V | 94.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 92.8 Ų | 92.8 | 21% | 0.212 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.6 | -46.3 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | Y87 W88 E93 Y94 I95 | Y87-V91 HydrophobicContact CD1-CG2 4.19Å; Y87-V91 HydrophobicContact CD2-CG2 4.4Å; Y87-V91 HydrophobicContact CE1-CG2 3.72Å; Y87-V91 HydrophobicContact CE2-CG2 3.96Å; Y87-V91 WeakPolarHBondContact O-CG2 3.3Å; Y87-V91 PolarHBondContact O-N 2.89Å; W88-V91 HydrophobicContact CE3-CB 4.31Å; W88-V91 HydrophobicContact CE3-CG1 4.26Å; W88-V91 HydrophobicContact CZ3-CG1 4.36Å; W88-V91 PolarHBondContact O-N 3.02Å; V91-E93 VanDerWaalsContact C-N 3.3Å; V91-E93 PolarHBondContact O-N 3.36Å; V91-Y94 PolarHBondContact O-N 2.92Å; V91-I95 HydrophobicContact CG1-CD1 3.46Å; V91-I95 VanDerWaalsContact CG1-CD1 3.46Å; V91-I95 HydrophobicContact CG1-CG1 4.02Å; V91-I95 WeakPolarHBondContact O-CB 3.42Å; V91-I95 WeakPolarHBondContact O-CG1 3.41Å; V91-I95 PolarHBondContact O-N 3.07Å |
| 92 | E | 95.2 | Very high | 93.8 | Very high | 152 Ų | 152 | 96.3 Ų | 96.3 | 71% | 0.71 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.8 | -35 | 178 | -167.4 | 166.4 | -157.8 | 0 | 0 | 112.5 | W88 A89 S90 P96 | W88-E92 WeakPolarHBondContact O-CB 3.37Å; W88-E92 PolarHBondContact O-N 3.32Å; A89-E92 PolarHBondContact O-N 3.11Å; S90-E92 VanDerWaalsContact C-N 3.3Å; S90-E92 PolarHBondContact O-N 3.46Å; E92-P96 WeakPolarHBondContact O-CD 3.32Å |
| 93 | E | 93.7 | Very high | 93.9 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 175.1 | -163.3 | -160.4 | 140.2 | 0 | 0 | 113 | A89 S90 V91 K97 | A89-E93 WeakPolarHBondContact O-CB 3.24Å; A89-E93 PolarHBondContact O-N 3.43Å; S90-E93 WeakPolarHBondContact O-CB 3.32Å; S90-E93 PolarHBondContact O-N 2.97Å; V91-E93 VanDerWaalsContact C-N 3.3Å; V91-E93 PolarHBondContact O-N 3.36Å; E93-K97 IonicContact OE1-NZ 2.74Å; E93-K97 PolarHBondContact OE1-NZ 3.2Å |
| 94 | Y | 92.3 | Very high | 93.7 | Very high | 40 Ų | 40 | 95.9 Ų | 95.9 | 16% | 0.157 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -89.6 | -24.9 | -173.4 | -77.5 | -77.8 | 0 | 0 | 0 | 113.9 | S90 V91 K97 W98 F110 E113 | S90-Y94 WeakPolarHBondContact O-CD2 3.49Å; S90-Y94 PolarHBondContact O-N 2.85Å; S90-Y94 WeakPolarHBondContact OG-CD2 3.46Å; V91-Y94 PolarHBondContact O-N 2.92Å; Y94-K97 HydrophobicContact CD1-CD 3.75Å; Y94-K97 HydrophobicContact CE1-CD 4.03Å; Y94-K97 WeakPolarHBondContact O-CB 3.34Å; Y94-K97 PolarHBondContact O-N 2.87Å; Y94-K97 VanDerWaalsContact O-N 3.09Å; Y94-W98 VanDerWaalsContact O-CD1 3.3Å; Y94-W98 PolarHBondContact O-N 3.05Å; Y94-F110 HydrophobicContact CD1-CZ 4.37Å; Y94-F110 HydrophobicContact CE1-CE1 4.35Å; Y94-E113 PolarHBondContact OH-OE1 3.49Å; Y94-E113 VanDerWaalsContact OH-OE1 3.08Å |
| 95 | I | 94.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 100.7 Ų | 100.7 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -51.1 | -49.1 | 177.7 | -82.6 | 167.5 | 0 | 0 | 0 | 111.9 | V91 K97 W98 E99 | V91-I95 HydrophobicContact CG1-CD1 3.46Å; V91-I95 VanDerWaalsContact CG1-CD1 3.46Å; V91-I95 HydrophobicContact CG1-CG1 4.02Å; V91-I95 WeakPolarHBondContact O-CB 3.42Å; V91-I95 WeakPolarHBondContact O-CG1 3.41Å; V91-I95 PolarHBondContact O-N 3.07Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.4Å; I95-W98 PolarHBondContact O-N 3.4Å; I95-E99 WeakPolarHBondContact O-CB 3.45Å; I95-E99 PolarHBondContact O-N 3.47Å |
| 96 | P | 93.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 97.8 Ų | 97.8 | 38% | 0.377 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 179 | -24.2 | 34.4 | 0 | 0 | 0 | 113.4 | E92 E99 Q100 | E92-P96 WeakPolarHBondContact O-CD 3.32Å; P96-E99 PolarHBondContact O-N 2.96Å; P96-Q100 WeakPolarHBondContact O-CG 3.49Å; P96-Q100 PolarHBondContact O-N 2.98Å; P96-Q100 VanDerWaalsContact O-N 3.08Å |
| 97 | K | 91.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 94.4 Ų | 94.4 | 33% | 0.33 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 178.2 | -56.5 | 177.3 | -167.4 | 168 | 0 | 110.3 | E93 Y94 I95 F101 P109 | E93-K97 IonicContact OE1-NZ 2.74Å; E93-K97 PolarHBondContact OE1-NZ 3.2Å; Y94-K97 HydrophobicContact CD1-CD 3.75Å; Y94-K97 HydrophobicContact CE1-CD 4.03Å; Y94-K97 WeakPolarHBondContact O-CB 3.34Å; Y94-K97 PolarHBondContact O-N 2.87Å; Y94-K97 VanDerWaalsContact O-N 3.09Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.4Å; K97-F101 PolarHBondContact O-N 3.4Å; K97-P109 HydrophobicContact CB-CB 4.27Å; K97-P109 HydrophobicContact CB-CG 4.49Å |
| 98 | W | 92.3 | Very high | 92.3 | Very high | 91 Ų | 91 | 93.1 Ų | 93.1 | 35% | 0.345 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 174.6 | -83.7 | 109.3 | 0 | 0 | 0 | 112.8 | Y94 I95 Q100 F101 L102 Y108 P109 F110 | Y94-W98 VanDerWaalsContact O-CD1 3.3Å; Y94-W98 PolarHBondContact O-N 3.05Å; I95-W98 PolarHBondContact O-N 3.4Å; W98-Q100 VanDerWaalsContact C-N 3.35Å; W98-Q100 PolarHBondContact O-N 2.86Å; W98-F101 HydrophobicContact CE3-CD1 4.09Å; W98-F101 HydrophobicContact CZ3-CD1 4.14Å; W98-F101 HydrophobicContact CZ3-CE1 4.33Å; W98-F101 PolarHBondContact O-N 3.1Å; W98-L102 WeakPolarHBondContact O-CB 3.47Å; W98-L102 VanDerWaalsContact O-CG 3.26Å; W98-L102 WeakPolarHBondContact O-CG 3.36Å; W98-L102 PolarHBondContact O-N 3.38Å; W98-Y108 HydrophobicContact CH2-CE2 4.01Å; W98-Y108 HydrophobicContact CZ3-CE2 4.27Å; W98-P109 HydrophobicContact CD2-CG 4.15Å; W98-P109 HydrophobicContact CE3-CG 4.25Å; W98-P109 HydrophobicContact CG-CG 4.43Å; W98-F110 AromaticContact CE2-CE2 3.5Å; W98-F110 VanDerWaalsContact CE2-CE2 3.5Å; W98-F110 HydrophobicContact CH2-CE2 4.1Å; W98-F110 HydrophobicContact CZ2-CD2 4.05Å; W98-F110 AromaticContact CZ2-CE2 3.23Å; W98-F110 HydrophobicContact CZ2-CE2 3.23Å; W98-F110 HydrophobicContact CZ2-CZ 4.08Å; W98-F110 AromaticContact NE1-CE2 3.54Å; W98-F110 AromaticContact NE1-CZ 3.74Å |
| 99 | E | 93.7 | Very high | 91.5 | Very high | 116 Ų | 116 | 87.3 Ų | 87.3 | 54% | 0.542 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177.5 | -175.3 | 179.9 | -169.1 | 0 | 0 | 111.2 | I95 P96 F101 L102 L103 | I95-E99 WeakPolarHBondContact O-CB 3.45Å; I95-E99 PolarHBondContact O-N 3.47Å; P96-E99 PolarHBondContact O-N 2.96Å; E99-F101 PolarHBondContact O-N 2.95Å; E99-L102 PolarHBondContact O-N 3.4Å; E99-L103 HydrophobicContact CG-CD1 3.97Å; E99-L103 WeakPolarHBondContact O-CB 3.33Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 3.25Å |
| 100 | Q | 91.8 | Very high | 90.4 | Very high | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 178.1 | -69.5 | 179.6 | 4.8 | 0 | 0 | 112.9 | P96 W98 G104 R105 A106 | P96-Q100 WeakPolarHBondContact O-CG 3.49Å; P96-Q100 PolarHBondContact O-N 2.98Å; P96-Q100 VanDerWaalsContact O-N 3.08Å; W98-Q100 VanDerWaalsContact C-N 3.35Å; W98-Q100 PolarHBondContact O-N 2.86Å; Q100-G104 PolarHBondContact O-N 3.41Å; Q100-R105 WeakPolarHBondContact O-CA 3.45Å; Q100-R105 WeakPolarHBondContact O-CB 3.46Å; Q100-R105 PolarHBondContact O-N 3.26Å; Q100-A106 HydrophobicContact CB-CB 3.73Å; Q100-A106 PolarHBondContact O-N 3.35Å |
| 101 | F | 91.9 | Very high | 88.8 | Confident | 69 Ų | 69 | 88.6 Ų | 88.6 | 30% | 0.303 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -48.7 | 175.9 | 170.2 | -105.9 | 0 | 0 | 0 | 111.9 | K97 W98 E99 L103 G104 A106 Y108 P109 | K97-F101 PolarHBondContact O-N 3.4Å; W98-F101 HydrophobicContact CE3-CD1 4.09Å; W98-F101 HydrophobicContact CZ3-CD1 4.14Å; W98-F101 HydrophobicContact CZ3-CE1 4.33Å; W98-F101 PolarHBondContact O-N 3.1Å; E99-F101 PolarHBondContact O-N 2.95Å; F101-L103 PolarHBondContact O-N 3.23Å; F101-G104 WeakPolarHBondContact O-CA 3.4Å; F101-G104 PolarHBondContact O-N 2.97Å; F101-A106 WeakPolarHBondContact CD2-O 3.25Å; F101-Y108 HydrophobicContact CE1-CD2 4.1Å; F101-Y108 HydrophobicContact CE2-CD2 4.23Å; F101-Y108 AromaticContact CZ-CD2 3.9Å; F101-Y108 HydrophobicContact CZ-CD2 3.9Å; F101-P109 HydrophobicContact CB-CG 3.96Å; F101-P109 HydrophobicContact CG-CG 4.35Å |
| 102 | L | 91.3 | Very high | 86.8 | Confident | 131 Ų | 131 | 91.2 Ų | 91.2 | 69% | 0.686 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -28.1 | -179.4 | -69.1 | 173.7 | 0 | 0 | 0 | 112.5 | W98 E99 G104 | W98-L102 WeakPolarHBondContact O-CB 3.47Å; W98-L102 VanDerWaalsContact O-CG 3.26Å; W98-L102 WeakPolarHBondContact O-CG 3.36Å; W98-L102 PolarHBondContact O-N 3.38Å; E99-L102 PolarHBondContact O-N 3.4Å; L102-G104 VanDerWaalsContact C-N 3.25Å; L102-G104 PolarHBondContact O-N 3.27Å |
| 103 | L | 94.6 | Very high | 84.9 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2 | 172.9 | -66.4 | 173.8 | 0 | 0 | 0 | 113.8 | E99 F101 R105 | E99-L103 HydrophobicContact CG-CD1 3.97Å; E99-L103 WeakPolarHBondContact O-CB 3.33Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 3.25Å; F101-L103 PolarHBondContact O-N 3.23Å; L103-R105 HydrophobicContact CB-CG 4.09Å; L103-R105 PolarHBondContact O-N 3.1Å |
| 104 | G | 90.8 | Very high | 82.7 | Confident | 68 Ų | 68 | 89.9 Ų | 89.9 | 70% | 0.701 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 16.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q100 F101 L102 | Q100-G104 PolarHBondContact O-N 3.41Å; F101-G104 WeakPolarHBondContact O-CA 3.4Å; F101-G104 PolarHBondContact O-N 2.97Å; L102-G104 VanDerWaalsContact C-N 3.25Å; L102-G104 PolarHBondContact O-N 3.27Å |
| 105 | R | 90.4 | Very high | 80.6 | Confident | 203 Ų | 203 | 94.8 Ų | 94.8 | 77% | 0.766 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -94.8 | -13.4 | -176.8 | -58.9 | -176.6 | -175.3 | -170.5 | 2.3 | 113.3 | Q100 L103 | Q100-R105 WeakPolarHBondContact O-CA 3.45Å; Q100-R105 WeakPolarHBondContact O-CB 3.46Å; Q100-R105 PolarHBondContact O-N 3.26Å; L103-R105 HydrophobicContact CB-CG 4.09Å; L103-R105 PolarHBondContact O-N 3.1Å |
| 106 | A | 87.7 | Confident | 78.2 | Confident | 28 Ų | 28 | 94.5 Ų | 94.5 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -140.5 | 157.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q100 F101 | Q100-A106 HydrophobicContact CB-CB 3.73Å; Q100-A106 PolarHBondContact O-N 3.35Å; F101-A106 WeakPolarHBondContact CD2-O 3.25Å |
| 107 | P | 85.5 | Confident | 75.9 | Confident | 109 Ų | 109 | 99.1 Ų | 99.1 | 71% | 0.708 | 51% | 0.508 | S | S | * | . | trans | -71.9 | 172.2 | 171.1 | 31 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 108 | Y | 85.4 | Confident | 73.5 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | trans | -57.6 | 126.1 | -176.1 | -178.3 | -114 | 0 | 0 | 0 | 112.4 | W98 F101 F110 A111 | W98-Y108 HydrophobicContact CH2-CE2 4.01Å; W98-Y108 HydrophobicContact CZ3-CE2 4.27Å; F101-Y108 HydrophobicContact CE1-CD2 4.1Å; F101-Y108 HydrophobicContact CE2-CD2 4.23Å; F101-Y108 AromaticContact CZ-CD2 3.9Å; F101-Y108 HydrophobicContact CZ-CD2 3.9Å; Y108-F110 VanDerWaalsContact C-N 3.32Å; Y108-F110 HydrophobicContact CD1-CB 4.27Å; Y108-F110 HydrophobicContact CE1-CB 3.65Å; Y108-F110 HydrophobicContact CE1-CD2 4.12Å; Y108-F110 HydrophobicContact CE1-CG 4.38Å; Y108-F110 HydrophobicContact CE2-CD2 4.37Å; Y108-F110 AromaticContact CZ-CD2 3.82Å; Y108-F110 PolarHBondContact O-N 3.47Å; Y108-A111 HydrophobicContact CD1-CB 4.18Å; Y108-A111 PolarHBondContact O-N 3.1Å | ||
| 109 | P | 79.6 | Confident | 71.1 | Confident | 23 Ų | 23 | 100.9 Ų | 100.9 | 15% | 0.149 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.1 | -168.9 | -27 | 34.8 | 0 | 0 | 0 | 116 | K97 W98 F101 | K97-P109 HydrophobicContact CB-CB 4.27Å; K97-P109 HydrophobicContact CB-CG 4.49Å; W98-P109 HydrophobicContact CD2-CG 4.15Å; W98-P109 HydrophobicContact CE3-CG 4.25Å; W98-P109 HydrophobicContact CG-CG 4.43Å; F101-P109 HydrophobicContact CB-CG 3.96Å; F101-P109 HydrophobicContact CG-CG 4.35Å |
| 110 | F | 74.5 | Confident | 68.7 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 30% | 0.303 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 4 | -176.4 | -58.7 | -87.6 | 0 | 0 | 0 | 113.9 | Y94 W98 Y108 V112 | Y94-F110 HydrophobicContact CD1-CZ 4.37Å; Y94-F110 HydrophobicContact CE1-CE1 4.35Å; W98-F110 AromaticContact CE2-CE2 3.5Å; W98-F110 VanDerWaalsContact CE2-CE2 3.5Å; W98-F110 HydrophobicContact CH2-CE2 4.1Å; W98-F110 HydrophobicContact CZ2-CD2 4.05Å; W98-F110 AromaticContact CZ2-CE2 3.23Å; W98-F110 HydrophobicContact CZ2-CE2 3.23Å; W98-F110 HydrophobicContact CZ2-CZ 4.08Å; W98-F110 AromaticContact NE1-CE2 3.54Å; W98-F110 AromaticContact NE1-CZ 3.74Å; Y108-F110 VanDerWaalsContact C-N 3.32Å; Y108-F110 HydrophobicContact CD1-CB 4.27Å; Y108-F110 HydrophobicContact CE1-CB 3.65Å; Y108-F110 HydrophobicContact CE1-CD2 4.12Å; Y108-F110 HydrophobicContact CE1-CG 4.38Å; Y108-F110 HydrophobicContact CE2-CD2 4.37Å; Y108-F110 AromaticContact CZ-CD2 3.82Å; Y108-F110 PolarHBondContact O-N 3.47Å; F110-V112 PolarHBondContact O-N 3.31Å |
| 111 | A | 59.7 | Low | 66.4 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 50% | 0.504 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -73.1 | -14.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y108 | Y108-A111 HydrophobicContact CD1-CB 4.18Å; Y108-A111 PolarHBondContact O-N 3.1Å |
| 112 | V | 53.4 | Low | 64.2 | Low | 90 Ų | 90 | 103.9 Ų | 103.9 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -101 | -14.8 | -166.7 | -173.4 | 0 | 0 | 0 | 0 | 113.9 | F110 | F110-V112 PolarHBondContact O-N 3.31Š|
| 113 | E | 54.1 | Low | 62 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 47% | 0.467 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -78.1 | -23.9 | -177.2 | -72.6 | 175.9 | 159.2 | 0 | 0 | 113.6 | Y94 Q115 | Y94-E113 PolarHBondContact OH-OE1 3.49Å; Y94-E113 VanDerWaalsContact OH-OE1 3.08Å; E113-Q115 PolarHBondContact O-N 2.85Å; E113-Q115 VanDerWaalsContact O-N 3.17Å |
| 114 | N | 48.5 | Very low | 59.8 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -77 | 1.3 | -176 | -66.4 | -46.8 | 0 | 0 | 0 | 115.3 | ||
| 115 | Q | 47.9 | Very low | 57.5 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 67% | 0.673 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -103.8 | -23.2 | 177.8 | -70.8 | -177.6 | -10.5 | 0 | 0 | 113.3 | E113 | E113-Q115 PolarHBondContact O-N 2.85Å; E113-Q115 VanDerWaalsContact O-N 3.17Å |
| 116 | N | 44.3 | Very low | 55 | Low | 92 Ų | 92 | 111.9 Ų | 111.9 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -96.8 | -17.1 | -171.7 | -57.9 | -24.8 | 0 | 0 | 0 | 113.9 | N120 | N116-N120 PolarHBondContact O-ND2 3.01Å |
| 117 | E | 44.2 | Very low | 53.3 | Low | 156 Ų | 156 | 116.1 Ų | 116.1 | 73% | 0.729 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.7 | -29.4 | 172 | -74.7 | -169.8 | 159.7 | 0 | 0 | 112.6 | T121 | E117-T121 PolarHBondContact O-OG1 3.11Å |
| 118 | A | 42.6 | Very low | 51.6 | Low | 63 Ų | 63 | 116.5 Ų | 116.5 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.3 | -29.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 119 | E | 40.8 | Very low | 49.8 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.7 | -29.1 | -180 | -70.5 | -173.3 | 163.1 | 0 | 0 | 113.5 | T121 I122 | E119-T121 VanDerWaalsContact C-N 3.32Å; E119-T121 PolarHBondContact O-N 3.34Å; E119-I122 PolarHBondContact O-N 2.94Å |
| 120 | N | 44.2 | Very low | 48 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 57% | 0.572 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78 | -12.5 | -178.7 | -78.5 | -54.7 | 0 | 0 | 0 | 114.3 | N116 | N116-N120 PolarHBondContact O-ND2 3.01Å |
| 121 | T | 42.3 | Very low | 46.3 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -21.1 | 176.2 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | E117 E119 | E117-T121 PolarHBondContact O-OG1 3.11Å; E119-T121 VanDerWaalsContact C-N 3.32Å; E119-T121 PolarHBondContact O-N 3.34Å |
| 122 | I | 47.3 | Very low | 45.5 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 72% | 0.723 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -18 | -174.3 | -59.3 | 177.3 | 0 | 0 | 0 | 112.5 | E119 | E119-I122 PolarHBondContact O-N 2.94Š|
| 123 | Q | 44.3 | Very low | 44.9 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.3 | -4.8 | -177.3 | -68.4 | -168.9 | -8.6 | 0 | 0 | 115.5 | ||
| 124 | N | 47.4 | Very low | 44.2 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -101.2 | 9.1 | -177.9 | -72.1 | -33.1 | 0 | 0 | 0 | 114.6 | ||
| 125 | E | 43.3 | Very low | 43.8 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -125.6 | 80.6 | 171.8 | -71.4 | -173.2 | 167.1 | 0 | 0 | 110.6 | ||||
| 126 | A | 37.3 | Very low | 43.4 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 100% | 1.455 | 75% | 0.748 | S | S | * | * | trans | -158 | 0 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 126 of 126 residues in 32.7 ms
(Link to these results)