| 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 | 61.2 | Low | 84.3 | Confident | 194 Ų | 194 | 131.7 Ų | 131.7 | 96% | 0.956 | 63% | 0.634 | S | S | * | * | 0 | -68 | 0 | -55.2 | -60.6 | -104.3 | 0 | 0 | 112.6 | L5 | M1-L5 PolarHBondContact O-N 3.26Š| |||
| 2 | K | 72.5 | Confident | 84.7 | Confident | 184 Ų | 184 | 129.6 Ų | 129.6 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.9 | -41.9 | -176 | -77.1 | 178.8 | 178.2 | 178.7 | 0 | 115.2 | L5 V6 | K2-L5 PolarHBondContact O-N 3.21Å; K2-V6 VanDerWaalsContact O-CG2 3.31Å; K2-V6 WeakPolarHBondContact O-CG2 3.31Å; K2-V6 PolarHBondContact O-N 3.46Å; K2-V6 VanDerWaalsContact O-N 3.13Å |
| 3 | R | 79.8 | Confident | 85 | Confident | 218 Ų | 218 | 126.6 Ų | 126.6 | 82% | 0.823 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.6 | -42.2 | -179 | -66.4 | -176.5 | -179.2 | 177.5 | -0.2 | 112.6 | L5 V6 M7 | R3-L5 VanDerWaalsContact C-N 3.35Å; R3-L5 PolarHBondContact O-N 2.95Å; R3-V6 PolarHBondContact O-N 3.13Å; R3-M7 PolarHBondContact O-N 3.49Å |
| 4 | E | 84.1 | Confident | 85 | Confident | 127 Ų | 127 | 124.3 Ų | 124.3 | 59% | 0.593 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58.5 | -44.7 | 174.3 | -55.6 | -52.8 | 139.5 | 0 | 0 | 112 | V6 M7 F8 | E4-V6 PolarHBondContact O-N 2.9Å; E4-M7 PolarHBondContact O-N 3.27Å; E4-F8 WeakPolarHBondContact O-CB 3.45Å; E4-F8 PolarHBondContact O-N 3.48Å |
| 5 | L | 87.3 | Confident | 84.8 | Confident | 112 Ų | 112 | 123.6 Ų | 123.6 | 59% | 0.586 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.1 | -41 | 176 | -89.1 | 158.6 | 0 | 0 | 0 | 112.4 | M1 K2 R3 F8 L9 | M1-L5 PolarHBondContact O-N 3.26Å; K2-L5 PolarHBondContact O-N 3.21Å; R3-L5 VanDerWaalsContact C-N 3.35Å; R3-L5 PolarHBondContact O-N 2.95Å; L5-F8 PolarHBondContact O-N 2.9Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 WeakPolarHBondContact O-CD1 3.37Å; L5-L9 WeakPolarHBondContact O-CG 3.32Å; L5-L9 PolarHBondContact O-N 3.41Å |
| 6 | V | 89.4 | Confident | 84.5 | Confident | 91 Ų | 91 | 119.3 Ų | 119.3 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.4 | -42.8 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | K2 R3 E4 F8 L9 L10 | K2-V6 VanDerWaalsContact O-CG2 3.31Å; K2-V6 WeakPolarHBondContact O-CG2 3.31Å; K2-V6 PolarHBondContact O-N 3.46Å; K2-V6 VanDerWaalsContact O-N 3.13Å; R3-V6 PolarHBondContact O-N 3.13Å; E4-V6 PolarHBondContact O-N 2.9Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-L9 PolarHBondContact O-N 3.32Å; V6-L10 WeakPolarHBondContact O-CB 3.33Å; V6-L10 PolarHBondContact O-N 2.92Å |
| 7 | M | 90.7 | Very high | 84.1 | Confident | 117 Ų | 117 | 116.6 Ų | 116.6 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 177.5 | -135.2 | -160.5 | 78.4 | 0 | 0 | 111.6 | R3 E4 L10 C11 | R3-M7 PolarHBondContact O-N 3.49Å; E4-M7 PolarHBondContact O-N 3.27Å; M7-L10 PolarHBondContact O-N 3.41Å; M7-C11 PolarHBondContact O-N 2.92Å |
| 8 | F | 90.4 | Very high | 83.4 | Confident | 146 Ų | 146 | 117.4 Ų | 117.4 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -45.9 | 175.9 | -122.9 | -87.4 | 0 | 0 | 0 | 112.2 | E4 L5 V6 L10 C11 L12 | E4-F8 WeakPolarHBondContact O-CB 3.45Å; E4-F8 PolarHBondContact O-N 3.48Å; L5-F8 PolarHBondContact O-N 2.9Å; V6-F8 VanDerWaalsContact C-N 3.35Å; F8-L10 VanDerWaalsContact C-N 3.31Å; F8-L10 PolarHBondContact O-N 3.29Å; F8-C11 PolarHBondContact O-N 2.95Å; F8-L12 WeakPolarHBondContact O-CG 3.31Å; F8-L12 PolarHBondContact O-N 3.46Å |
| 9 | L | 91.6 | Very high | 82.4 | Confident | 104 Ų | 104 | 116.4 Ų | 116.4 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -41.3 | 175.7 | -79.1 | 162.6 | 0 | 0 | 0 | 111.2 | L5 V6 L12 V13 | L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 WeakPolarHBondContact O-CD1 3.37Å; L5-L9 WeakPolarHBondContact O-CG 3.32Å; L5-L9 PolarHBondContact O-N 3.41Å; V6-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.23Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.29Å; L9-V13 PolarHBondContact O-N 3.04Å |
| 10 | L | 91.1 | Very high | 81.4 | Confident | 102 Ų | 102 | 114.5 Ų | 114.5 | 53% | 0.534 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -41.8 | 178.7 | -161.2 | 129.6 | 0 | 0 | 0 | 111.6 | V6 M7 F8 V13 L14 | V6-L10 WeakPolarHBondContact O-CB 3.33Å; V6-L10 PolarHBondContact O-N 2.92Å; M7-L10 PolarHBondContact O-N 3.41Å; F8-L10 VanDerWaalsContact C-N 3.31Å; F8-L10 PolarHBondContact O-N 3.29Å; L10-V13 PolarHBondContact O-N 3.4Å; L10-L14 HydrophobicContact CD2-CD1 3.84Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.13Å |
| 11 | C | 89.1 | Confident | 80.4 | Confident | 54 Ų | 54 | 112.8 Ų | 112.8 | 37% | 0.365 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.7 | -46.3 | 171.2 | -79.6 | 0 | 0 | 0 | 0 | 112 | M7 F8 V13 L14 L15 | M7-C11 PolarHBondContact O-N 2.92Å; F8-C11 PolarHBondContact O-N 2.95Å; C11-V13 VanDerWaalsContact C-N 3.31Å; C11-V13 PolarHBondContact O-N 3.4Å; C11-L14 PolarHBondContact O-N 3.48Å; C11-L15 HydrophobicContact CB-CD1 4.49Å; C11-L15 WeakPolarHBondContact O-CD1 3.32Å; C11-L15 PolarHBondContact O-N 3.36Å |
| 12 | L | 88.7 | Confident | 80.3 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.7 | -39.9 | 179.5 | -73.1 | 170 | 0 | 0 | 0 | 112.4 | F8 L9 A16 | F8-L12 WeakPolarHBondContact O-CG 3.31Å; F8-L12 PolarHBondContact O-N 3.46Å; L9-L12 PolarHBondContact O-N 3.23Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.85Å |
| 13 | V | 89.1 | Confident | 79.9 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.6 | -45.3 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L9 L10 C11 A16 T17 | L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.29Å; L9-V13 PolarHBondContact O-N 3.04Å; L10-V13 PolarHBondContact O-N 3.4Å; C11-V13 VanDerWaalsContact C-N 3.31Å; C11-V13 PolarHBondContact O-N 3.4Å; V13-A16 PolarHBondContact O-N 2.97Å; V13-T17 WeakPolarHBondContact O-CG2 3.11Å; V13-T17 PolarHBondContact O-N 2.94Å; V13-T17 PolarHBondContact O-OG1 3.12Å |
| 14 | L | 84.8 | Confident | 79.4 | Confident | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -45.2 | 177.9 | -70.2 | 169.5 | 0 | 0 | 0 | 112 | L10 C11 A16 T17 E18 | L10-L14 HydrophobicContact CD2-CD1 3.84Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.13Å; C11-L14 PolarHBondContact O-N 3.48Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.01Å; L14-T17 PolarHBondContact O-N 3.49Å; L14-T17 PolarHBondContact O-OG1 3.41Å; L14-E18 WeakPolarHBondContact O-CG 3.36Å; L14-E18 PolarHBondContact O-N 3.3Å; L14-E18 VanDerWaalsContact O-N 3.14Å |
| 15 | L | 81.8 | Confident | 78.8 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.2 | -39.9 | 175.8 | -85.9 | 110.1 | 0 | 0 | 0 | 112.1 | C11 T17 E18 T19 | C11-L15 HydrophobicContact CB-CD1 4.49Å; C11-L15 WeakPolarHBondContact O-CD1 3.32Å; C11-L15 PolarHBondContact O-N 3.36Å; L15-T17 PolarHBondContact O-N 3.2Å; L15-E18 PolarHBondContact O-N 2.98Å; L15-T19 VanDerWaalsContact O-CG2 3.31Å; L15-T19 WeakPolarHBondContact O-CG2 3.36Å; L15-T19 PolarHBondContact O-N 3.42Å; L15-T19 VanDerWaalsContact O-N 3.13Å; L15-T19 PolarHBondContact O-OG1 3.28Å |
| 16 | A | 80.4 | Confident | 78.2 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L12 V13 L14 T19 A20 | L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.85Å; V13-A16 PolarHBondContact O-N 2.97Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.01Å; A16-T19 PolarHBondContact O-OG1 3.27Å; A16-A20 PolarHBondContact O-N 3.1Å; A16-A20 VanDerWaalsContact O-N 3.14Å |
| 17 | T | 77.7 | Confident | 77.7 | Confident | 73 Ų | 73 | 105.1 Ų | 105.1 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.3 | -38 | 178.5 | 51.2 | 0 | 0 | 0 | 0 | 113 | V13 L14 L15 A20 A21 | V13-T17 WeakPolarHBondContact O-CG2 3.11Å; V13-T17 PolarHBondContact O-N 2.94Å; V13-T17 PolarHBondContact O-OG1 3.12Å; L14-T17 PolarHBondContact O-N 3.49Å; L14-T17 PolarHBondContact O-OG1 3.41Å; L15-T17 PolarHBondContact O-N 3.2Å; T17-A20 PolarHBondContact O-N 3.25Å; T17-A21 PolarHBondContact O-N 3.14Å; T17-A21 VanDerWaalsContact O-N 3.12Å |
| 18 | E | 71 | Confident | 77.3 | Confident | 132 Ų | 132 | 108.3 Ų | 108.3 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.7 | -37.8 | 177.7 | -64.6 | -57 | 141 | 0 | 0 | 112.2 | L14 L15 A20 A21 N22 | L14-E18 WeakPolarHBondContact O-CG 3.36Å; L14-E18 PolarHBondContact O-N 3.3Å; L14-E18 VanDerWaalsContact O-N 3.14Å; L15-E18 PolarHBondContact O-N 2.98Å; E18-A20 VanDerWaalsContact C-N 3.35Å; E18-A21 PolarHBondContact O-N 3.14Å; E18-N22 PolarHBondContact O-N 2.97Å; E18-N22 VanDerWaalsContact O-N 3.1Å |
| 19 | T | 65 | Low | 77 | Confident | 97 Ų | 97 | 106.9 Ų | 106.9 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71 | -29.6 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | L15 A16 A21 N22 | L15-T19 VanDerWaalsContact O-CG2 3.31Å; L15-T19 WeakPolarHBondContact O-CG2 3.36Å; L15-T19 PolarHBondContact O-N 3.42Å; L15-T19 VanDerWaalsContact O-N 3.13Å; L15-T19 PolarHBondContact O-OG1 3.28Å; A16-T19 PolarHBondContact O-OG1 3.27Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-N22 CarbonylContact O-C 3.47Å |
| 20 | A | 61.6 | Low | 76.7 | Confident | 79 Ų | 79 | 103.5 Ų | 103.5 | 65% | 0.653 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70 | -32.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | A16 T17 E18 | A16-A20 PolarHBondContact O-N 3.1Å; A16-A20 VanDerWaalsContact O-N 3.14Å; T17-A20 PolarHBondContact O-N 3.25Å; E18-A20 VanDerWaalsContact C-N 3.35Å |
| 21 | A | 60.5 | Low | 76.6 | Confident | 79 Ų | 79 | 104.7 Ų | 104.7 | 65% | 0.653 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.6 | -27.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T17 E18 T19 P23 | T17-A21 PolarHBondContact O-N 3.14Å; T17-A21 VanDerWaalsContact O-N 3.12Å; E18-A21 PolarHBondContact O-N 3.14Å; T19-A21 VanDerWaalsContact C-N 3.34Å; A21-P23 VanDerWaalsContact O-CD 3.3Å; A21-P23 WeakPolarHBondContact O-CD 3.19Å |
| 22 | N | 59.8 | Low | 76.5 | Confident | 121 Ų | 121 | 108.7 Ų | 108.7 | 65% | 0.647 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -114.6 | 78.9 | 174 | -167.5 | 13.6 | 0 | 0 | 0 | 110.2 | E18 T19 V24 | E18-N22 PolarHBondContact O-N 2.97Å; E18-N22 VanDerWaalsContact O-N 3.1Å; T19-N22 CarbonylContact O-C 3.47Å; N22-V24 PolarHBondContact O-N 3.18Å |
| 23 | P | 64.4 | Low | 76.4 | Confident | 78 Ų | 78 | 107.4 Ų | 107.4 | 51% | 0.506 | 58% | 0.576 | S | S | . | * | trans | -55.3 | 130.3 | 174.2 | 23.5 | -31.8 | 0 | 0 | 0 | 107.9 | A21 I25 | A21-P23 VanDerWaalsContact O-CD 3.3Å; A21-P23 WeakPolarHBondContact O-CD 3.19Å; P23-I25 HydrophobicContact CB-CG1 4.48Å; P23-I25 HydrophobicContact CG-CG1 4.16Å; P23-I25 WeakPolarHBondContact O-CG1 3.3Å; P23-I25 PolarHBondContact O-N 3.48Å | ||
| 24 | V | 68.5 | Low | 76.2 | Confident | 149 Ų | 149 | 107.9 Ų | 107.9 | 90% | 0.903 | 58% | 0.575 | S | S | * | * | trans | -65.2 | 89.9 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | N22 R26 | N22-V24 PolarHBondContact O-N 3.18Å; V24-R26 PolarHBondContact O-N 3.46Å | ||
| 25 | I | 71 | Confident | 76 | Confident | 69 Ų | 69 | 112.2 Ų | 112.2 | 35% | 0.354 | 59% | 0.585 | S | S | . | * | trans | -68.1 | 131.1 | -175.4 | -73.7 | 169.4 | 0 | 0 | 0 | 108.2 | P23 E27 F29 A30 | P23-I25 HydrophobicContact CB-CG1 4.48Å; P23-I25 HydrophobicContact CG-CG1 4.16Å; P23-I25 WeakPolarHBondContact O-CG1 3.3Å; P23-I25 PolarHBondContact O-N 3.48Å; I25-E27 PolarHBondContact O-N 2.61Å; I25-F29 HydrophobicContact CD1-CD1 4.44Å; I25-F29 HydrophobicContact CG1-CD1 4.39Å; I25-F29 HydrophobicContact CG2-CB 3.8Å; I25-F29 HydrophobicContact CG2-CD1 3.48Å; I25-F29 VanDerWaalsContact CG2-CD1 3.48Å; I25-F29 HydrophobicContact CG2-CG 4.1Å; I25-A30 HydrophobicContact CG2-CB 3.82Å | ||
| 26 | R | 76 | Confident | 76.1 | Confident | 215 Ų | 215 | 109 Ų | 109 | 81% | 0.811 | 57% | 0.572 | S | S | * | * | trans | -60.2 | 139.1 | 172.5 | -67.3 | -175.4 | -176.4 | -175.9 | 1.2 | 110 | V24 K28 F29 A30 | V24-R26 PolarHBondContact O-N 3.46Å; R26-K28 PolarHBondContact O-N 2.72Å; R26-F29 WeakPolarHBondContact O-CA 3.39Å; R26-F29 WeakPolarHBondContact O-CB 3.47Å; R26-F29 PolarHBondContact O-N 3.04Å; R26-A30 PolarHBondContact O-N 2.91Å | ||
| 27 | E | 78.7 | Confident | 76.1 | Confident | 133 Ų | 133 | 113 Ų | 113 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -48 | -41 | -176.7 | -168.9 | -165.4 | 153.9 | 0 | 0 | 113.6 | I25 F29 A30 K31 | I25-E27 PolarHBondContact O-N 2.61Å; E27-F29 VanDerWaalsContact C-N 3.34Å; E27-F29 PolarHBondContact O-N 3.34Å; E27-A30 PolarHBondContact O-N 3.5Å; E27-K31 HydrophobicContact CG-CD 4.32Å; E27-K31 WeakPolarHBondContact O-CB 3.47Å; E27-K31 WeakPolarHBondContact O-CG 3.26Å; E27-K31 PolarHBondContact O-N 2.84Å; E27-K31 WeakPolarHBondContact OE1-CE 3.39Å; E27-K31 IonicContact OE1-NZ 2.61Å; E27-K31 PolarHBondContact OE1-NZ 3.02Å |
| 28 | K | 82.5 | Confident | 75.8 | Confident | 184 Ų | 184 | 118.3 Ų | 118.3 | 80% | 0.8 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.2 | -43.9 | 177 | -67.9 | -171.3 | 178.3 | -175.4 | 0 | 112.5 | R26 Q32 | R26-K28 PolarHBondContact O-N 2.72Å; K28-Q32 WeakPolarHBondContact O-CB 3.45Å; K28-Q32 PolarHBondContact O-N 2.86Å |
| 29 | F | 84.2 | Confident | 75.8 | Confident | 115 Ų | 115 | 119.4 Ų | 119.4 | 50% | 0.504 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.6 | -39.1 | 179.8 | -171.8 | -92.4 | 0 | 0 | 0 | 111.1 | I25 R26 E27 K31 Q32 L33 | I25-F29 HydrophobicContact CD1-CD1 4.44Å; I25-F29 HydrophobicContact CG1-CD1 4.39Å; I25-F29 HydrophobicContact CG2-CB 3.8Å; I25-F29 HydrophobicContact CG2-CD1 3.48Å; I25-F29 VanDerWaalsContact CG2-CD1 3.48Å; I25-F29 HydrophobicContact CG2-CG 4.1Å; R26-F29 WeakPolarHBondContact O-CA 3.39Å; R26-F29 WeakPolarHBondContact O-CB 3.47Å; R26-F29 PolarHBondContact O-N 3.04Å; E27-F29 VanDerWaalsContact C-N 3.34Å; E27-F29 PolarHBondContact O-N 3.34Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 2.91Å; F29-Q32 PolarHBondContact O-N 3.43Å; F29-L33 HydrophobicContact CE1-CD1 3.94Å; F29-L33 HydrophobicContact CZ-CD1 4.38Å; F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 PolarHBondContact O-N 3.19Å |
| 30 | A | 85.6 | Confident | 76 | Confident | 34 Ų | 34 | 120.6 Ų | 120.6 | 28% | 0.281 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.2 | -45.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I25 R26 E27 Q32 L33 L34 | I25-A30 HydrophobicContact CG2-CB 3.82Å; R26-A30 PolarHBondContact O-N 2.91Å; E27-A30 PolarHBondContact O-N 3.5Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 3.43Å; A30-L33 PolarHBondContact O-N 3.31Å; A30-L34 WeakPolarHBondContact O-CB 3.43Å; A30-L34 VanDerWaalsContact O-CG 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.47Å; A30-L34 PolarHBondContact O-N 3.43Å |
| 31 | K | 88 | Confident | 76.1 | Confident | 126 Ų | 126 | 124.6 Ų | 124.6 | 55% | 0.548 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.2 | -40.8 | 175.6 | -77.3 | 175.8 | 170.2 | 173.4 | 0 | 112.2 | E27 F29 L34 R35 | E27-K31 HydrophobicContact CG-CD 4.32Å; E27-K31 WeakPolarHBondContact O-CB 3.47Å; E27-K31 WeakPolarHBondContact O-CG 3.26Å; E27-K31 PolarHBondContact O-N 2.84Å; E27-K31 WeakPolarHBondContact OE1-CE 3.39Å; E27-K31 IonicContact OE1-NZ 2.61Å; E27-K31 PolarHBondContact OE1-NZ 3.02Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 2.91Å; K31-L34 PolarHBondContact O-N 3.03Å; K31-R35 WeakPolarHBondContact O-CB 3.45Å; K31-R35 PolarHBondContact O-N 3.47Å |
| 32 | Q | 87.4 | Confident | 76.3 | Confident | 139 Ų | 139 | 126 Ų | 126 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.7 | -43 | 177.2 | -171.7 | 162.3 | -7.8 | 0 | 0 | 111.8 | K28 F29 A30 R35 S36 | K28-Q32 WeakPolarHBondContact O-CB 3.45Å; K28-Q32 PolarHBondContact O-N 2.86Å; F29-Q32 PolarHBondContact O-N 3.43Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 3.43Å; Q32-R35 WeakPolarHBondContact O-CB 3.36Å; Q32-R35 PolarHBondContact O-N 3.14Å; Q32-R35 VanDerWaalsContact O-N 3.13Å; Q32-S36 PolarHBondContact O-N 3.3Å |
| 33 | L | 86.3 | Confident | 76.5 | Confident | 79 Ų | 79 | 124.9 Ų | 124.9 | 41% | 0.414 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.3 | -40.8 | 176.6 | -157.8 | 107.4 | 0 | 0 | 0 | 112.3 | F29 A30 R35 S36 K37 | F29-L33 HydrophobicContact CE1-CD1 3.94Å; F29-L33 HydrophobicContact CZ-CD1 4.38Å; F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 PolarHBondContact O-N 3.19Å; A30-L33 PolarHBondContact O-N 3.31Å; L33-R35 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 3.03Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 WeakPolarHBondContact O-CG 3.46Å; L33-K37 PolarHBondContact O-N 2.92Å |
| 34 | L | 84.3 | Confident | 76.1 | Confident | 100 Ų | 100 | 128.7 Ų | 128.7 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.4 | -23.8 | 174.5 | -70.1 | 172.7 | 0 | 0 | 0 | 112.8 | A30 K31 R38 | A30-L34 WeakPolarHBondContact O-CB 3.43Å; A30-L34 VanDerWaalsContact O-CG 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.47Å; A30-L34 PolarHBondContact O-N 3.43Å; K31-L34 PolarHBondContact O-N 3.03Å; L34-R38 PolarHBondContact O-N 3.37Å; L34-R38 PolarHBondContact O-NE 3.05Å; L34-R38 VanDerWaalsContact O-NE 3.14Å |
| 35 | R | 82.2 | Confident | 75.4 | Confident | 186 Ų | 186 | 126.2 Ų | 126.2 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.1 | -44.2 | 176.8 | -161.1 | 170.4 | -174.6 | 160.4 | 0.2 | 110.8 | K31 Q32 L33 R38 Q39 | K31-R35 WeakPolarHBondContact O-CB 3.45Å; K31-R35 PolarHBondContact O-N 3.47Å; Q32-R35 WeakPolarHBondContact O-CB 3.36Å; Q32-R35 PolarHBondContact O-N 3.14Å; Q32-R35 VanDerWaalsContact O-N 3.13Å; L33-R35 PolarHBondContact O-N 3.45Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-Q39 PolarHBondContact O-N 3.15Å |
| 36 | S | 83.4 | Confident | 74.6 | Confident | 47 Ų | 47 | 126.1 Ų | 126.1 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.5 | -45.9 | 174.1 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | Q32 L33 R38 Q39 D40 | Q32-S36 PolarHBondContact O-N 3.3Å; L33-S36 PolarHBondContact O-OG 3.03Å; S36-R38 PolarHBondContact O-N 3.13Å; S36-R38 VanDerWaalsContact O-N 3.15Å; S36-Q39 WeakPolarHBondContact O-CB 3.43Å; S36-Q39 PolarHBondContact O-N 3.11Å; S36-D40 PolarHBondContact O-N 3.16Å |
| 37 | K | 79.1 | Confident | 73.4 | Confident | 138 Ų | 138 | 120.4 Ų | 120.4 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61 | -26.1 | 177.5 | -74.3 | -65 | -172.3 | -171.4 | 0 | 114.6 | L33 R41 | L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 WeakPolarHBondContact O-CG 3.46Å; L33-K37 PolarHBondContact O-N 2.92Å; K37-R41 PolarHBondContact O-N 3.02Å |
| 38 | R | 72.8 | Confident | 72.4 | Confident | 184 Ų | 184 | 118.8 Ų | 118.8 | 69% | 0.694 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.7 | -28.5 | 173.4 | -89.8 | -176.9 | -86.2 | -144.2 | -1 | 112.9 | L34 R35 S36 | L34-R38 PolarHBondContact O-N 3.37Å; L34-R38 PolarHBondContact O-NE 3.05Å; L34-R38 VanDerWaalsContact O-NE 3.14Å; R35-R38 PolarHBondContact O-N 3.39Å; S36-R38 PolarHBondContact O-N 3.13Å; S36-R38 VanDerWaalsContact O-N 3.15Å |
| 39 | Q | 69.4 | Low | 71.3 | Confident | 156 Ų | 156 | 115.8 Ų | 115.8 | 73% | 0.729 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.9 | -34.2 | 175.9 | -67.9 | 177.1 | -43 | 0 | 0 | 111.7 | R35 S36 R41 | R35-Q39 PolarHBondContact O-N 3.15Å; S36-Q39 WeakPolarHBondContact O-CB 3.43Å; S36-Q39 PolarHBondContact O-N 3.11Å; Q39-R41 PolarHBondContact O-N 3.4Å |
| 40 | D | 70 | Confident | 70.2 | Confident | 121 Ų | 121 | 114.4 Ų | 114.4 | 65% | 0.647 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -77 | -8.6 | 176.7 | -64.8 | -25.2 | 0 | 0 | 0 | 113.5 | S36 | S36-D40 PolarHBondContact O-N 3.16Š|
| 41 | R | 64.4 | Low | 69.1 | Low | 163 Ų | 163 | 116.5 Ų | 116.5 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -68.9 | 127.1 | 177.6 | -171.4 | -178.3 | -177.4 | 161.7 | 6.3 | 107.8 | K37 Q39 V43 | K37-R41 PolarHBondContact O-N 3.02Å; Q39-R41 PolarHBondContact O-N 3.4Å; R41-V43 PolarHBondContact O-N 3.05Å; R41-V43 VanDerWaalsContact O-N 3.16Å |
| 42 | P | 64.6 | Low | 68.1 | Low | 109 Ų | 109 | 115 Ų | 115 | 71% | 0.708 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 128.7 | 170.7 | 22.7 | -31.8 | 0 | 0 | 0 | 108 | K44 | P42-K44 PolarHBondContact O-N 2.94Å; P42-K44 VanDerWaalsContact O-N 3.11Å |
| 43 | V | 63.3 | Low | 67.4 | Low | 98 Ų | 98 | 117.5 Ų | 117.5 | 59% | 0.594 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 123.6 | 176.2 | -175.9 | 0 | 0 | 0 | 0 | 106.2 | R41 A45 H47 | R41-V43 PolarHBondContact O-N 3.05Å; R41-V43 VanDerWaalsContact O-N 3.16Å; V43-A45 PolarHBondContact O-N 3.02Å; V43-A45 VanDerWaalsContact O-N 3.12Å; V43-H47 HydrophobicContact CG1-CB 3.77Å |
| 44 | K | 56.2 | Low | 66.8 | Low | 157 Ų | 157 | 120.5 Ų | 120.5 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.1 | 176.2 | -106.5 | -179.7 | 171.5 | -174.3 | 0 | 106.8 | P42 G46 H47 | P42-K44 PolarHBondContact O-N 2.94Å; P42-K44 VanDerWaalsContact O-N 3.11Å; K44-G46 PolarHBondContact O-N 3.12Å; K44-H47 PolarHBondContact O-N 2.83Å |
| 45 | A | 52.9 | Low | 66.6 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -49.8 | 116.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | V43 E50 | V43-A45 PolarHBondContact O-N 3.02Å; V43-A45 VanDerWaalsContact O-N 3.12Å; A45-E50 WeakPolarHBondContact CA-OE2 3.38Å |
| 46 | G | 54.7 | Low | 66.6 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | trans | 119 | 23.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | K44 E50 | K44-G46 PolarHBondContact O-N 3.12Å; G46-E50 PolarHBondContact N-OE2 3.38Å | ||
| 47 | H | 51.8 | Low | 66.6 | Low | 95 Ų | 95 | 119.7 Ų | 119.7 | 44% | 0.44 | 61% | 0.609 | S | S | . | * | trans | -64.3 | 138.8 | 161.5 | -166.7 | 53.8 | 0 | 0 | 0 | 108.7 | V43 K44 D49 E50 | V43-H47 HydrophobicContact CG1-CB 3.77Å; K44-H47 PolarHBondContact O-N 2.83Å; H47-D49 IonicContact CD2-OD2 3.93Å; H47-D49 IonicContact NE2-OD2 3.44Å; H47-D49 PolarHBondContact NE2-OD2 3.22Å; H47-D49 PolarHBondContact O-N 2.96Å; H47-E50 HydrophobicContact CB-CB 4.42Å; H47-E50 PolarHBondContact N-OE2 2.7Å; H47-E50 WeakPolarHBondContact O-CB 3.38Å; H47-E50 PolarHBondContact O-N 3.01Å | ||
| 48 | P | 57 | Low | 66.9 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -22.3 | 178.2 | -25.2 | 34 | 0 | 0 | 0 | 113.8 | M52 | P48-M52 WeakPolarHBondContact O-CG 3.36Š|
| 49 | D | 59.9 | Low | 67.5 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 65% | 0.647 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 6.7 | -177.6 | -51.2 | -34.4 | 0 | 0 | 0 | 114 | H47 | H47-D49 IonicContact CD2-OD2 3.93Å; H47-D49 IonicContact NE2-OD2 3.44Å; H47-D49 PolarHBondContact NE2-OD2 3.22Å; H47-D49 PolarHBondContact O-N 2.96Å |
| 50 | E | 60.8 | Low | 68.3 | Low | 85 Ų | 85 | 114.8 Ų | 114.8 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -73.5 | 145.2 | 170.7 | -146 | 147.4 | -161.5 | 0 | 0 | 109.9 | A45 G46 H47 M52 | A45-E50 WeakPolarHBondContact CA-OE2 3.38Å; G46-E50 PolarHBondContact N-OE2 3.38Å; H47-E50 HydrophobicContact CB-CB 4.42Å; H47-E50 PolarHBondContact N-OE2 2.7Å; H47-E50 WeakPolarHBondContact O-CB 3.38Å; H47-E50 PolarHBondContact O-N 3.01Å; E50-M52 PolarHBondContact O-N 3.44Å |
| 51 | P | 62.7 | Low | 69.2 | Low | 79 Ų | 79 | 110.7 Ų | 110.7 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | trans | -48.8 | 85.9 | -134.6 | 31.8 | -36 | 0 | 0 | 0 | 112.5 | R53 E54 | P51-R53 PolarHBondContact O-N 3.36Å; P51-E54 PolarHBondContact O-N 2.94Å | ||
| 52 | M | 66.5 | Low | 70.1 | Confident | 95 Ų | 95 | 106.5 Ų | 106.5 | 47% | 0.468 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -51.5 | -27.9 | -179.9 | -92.7 | -115.8 | -76.8 | 0 | 0 | 111.3 | P48 E50 E54 H55 Q56 | P48-M52 WeakPolarHBondContact O-CG 3.36Å; E50-M52 PolarHBondContact O-N 3.44Å; M52-E54 PolarHBondContact O-N 3.37Å; M52-H55 PolarHBondContact O-N 3Å; M52-Q56 WeakPolarHBondContact O-CB 3.32Å; M52-Q56 WeakPolarHBondContact O-CG 3.36Å; M52-Q56 PolarHBondContact O-N 2.9Å |
| 53 | R | 72.6 | Confident | 71 | Confident | 190 Ų | 190 | 105.9 Ų | 105.9 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58 | -46 | 177.2 | -170.3 | 176.3 | 179.1 | -173.3 | -1 | 113.5 | P51 L57 | P51-R53 PolarHBondContact O-N 3.36Å; R53-L57 HydrophobicContact CG-CD1 4.05Å; R53-L57 WeakPolarHBondContact O-CB 3.11Å; R53-L57 WeakPolarHBondContact O-CG 3.44Å; R53-L57 PolarHBondContact O-N 3.24Å |
| 54 | E | 73.9 | Confident | 71.8 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71 | -39.2 | -178.6 | -67.3 | -170.5 | 165.6 | 0 | 0 | 111.4 | P51 M52 R58 | P51-E54 PolarHBondContact O-N 2.94Å; M52-E54 PolarHBondContact O-N 3.37Å; E54-R58 WeakPolarHBondContact O-CB 3.29Å; E54-R58 PolarHBondContact O-N 2.95Å |
| 55 | H | 80.8 | Confident | 72.8 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 174.3 | -177.4 | 67.4 | 0 | 0 | 0 | 111.4 | M52 L57 R58 M59 | M52-H55 PolarHBondContact O-N 3Å; H55-L57 PolarHBondContact O-N 2.84Å; H55-R58 CarbonylContact O-C 3.6Å; H55-R58 WeakPolarHBondContact O-CB 3.24Å; H55-R58 PolarHBondContact O-N 3.42Å; H55-M59 VanDerWaalsContact O-CG 3.29Å; H55-M59 WeakPolarHBondContact O-CG 3.09Å; H55-M59 PolarHBondContact O-N 2.81Å |
| 56 | Q | 81.6 | Confident | 73.8 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.2 | -75.9 | 170.5 | -4.5 | 0 | 0 | 112 | M52 R58 M59 Q60 | M52-Q56 WeakPolarHBondContact O-CB 3.32Å; M52-Q56 WeakPolarHBondContact O-CG 3.36Å; M52-Q56 PolarHBondContact O-N 2.9Å; Q56-R58 VanDerWaalsContact C-N 3.3Å; Q56-R58 PolarHBondContact O-N 3.1Å; Q56-M59 PolarHBondContact O-N 2.77Å; Q56-Q60 WeakPolarHBondContact O-CB 3.44Å; Q56-Q60 PolarHBondContact O-N 2.97Å |
| 57 | L | 84 | Confident | 74.6 | Confident | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175 | -73.8 | 169.9 | 0 | 0 | 0 | 111.4 | R53 H55 Q60 A61 | R53-L57 HydrophobicContact CG-CD1 4.05Å; R53-L57 WeakPolarHBondContact O-CB 3.11Å; R53-L57 WeakPolarHBondContact O-CG 3.44Å; R53-L57 PolarHBondContact O-N 3.24Å; H55-L57 PolarHBondContact O-N 2.84Å; L57-Q60 PolarHBondContact O-N 2.99Å; L57-A61 WeakPolarHBondContact O-CB 3.39Å; L57-A61 PolarHBondContact O-N 3.48Å |
| 58 | R | 85.4 | Confident | 75.4 | Confident | 179 Ų | 179 | 106.5 Ų | 106.5 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 174.3 | -179.4 | 175.7 | 178.2 | 170.6 | -0 | 111.9 | E54 H55 Q56 Q60 A61 L62 | E54-R58 WeakPolarHBondContact O-CB 3.29Å; E54-R58 PolarHBondContact O-N 2.95Å; H55-R58 CarbonylContact O-C 3.6Å; H55-R58 WeakPolarHBondContact O-CB 3.24Å; H55-R58 PolarHBondContact O-N 3.42Å; Q56-R58 VanDerWaalsContact C-N 3.3Å; Q56-R58 PolarHBondContact O-N 3.1Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-A61 PolarHBondContact O-N 2.9Å; R58-L62 HydrophobicContact CG-CD1 4.37Å; R58-L62 WeakPolarHBondContact O-CG 3.42Å; R58-L62 PolarHBondContact O-N 3.13Å |
| 59 | M | 84.4 | Confident | 75.8 | Confident | 83 Ų | 83 | 104.8 Ų | 104.8 | 41% | 0.409 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.9 | -69.1 | -55.7 | -66.4 | 0 | 0 | 111 | H55 Q56 A61 L62 D63 | H55-M59 VanDerWaalsContact O-CG 3.29Å; H55-M59 WeakPolarHBondContact O-CG 3.09Å; H55-M59 PolarHBondContact O-N 2.81Å; Q56-M59 PolarHBondContact O-N 2.77Å; M59-A61 PolarHBondContact O-N 3.19Å; M59-L62 WeakPolarHBondContact O-CB 3.45Å; M59-L62 PolarHBondContact O-N 3.5Å; M59-L62 VanDerWaalsContact O-N 3.1Å; M59-L62 HydrophobicContact SD-CD1 4.31Å; M59-D63 PolarHBondContact O-N 3.42Å |
| 60 | Q | 87.1 | Confident | 76.1 | Confident | 113 Ų | 113 | 102.8 Ų | 102.8 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.2 | -168.8 | 174.6 | 12.4 | 0 | 0 | 112.4 | Q56 L57 R58 L62 D63 Q64 | Q56-Q60 WeakPolarHBondContact O-CB 3.44Å; Q56-Q60 PolarHBondContact O-N 2.97Å; L57-Q60 PolarHBondContact O-N 2.99Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 PolarHBondContact O-N 3.08Å; Q60-D63 PolarHBondContact O-N 2.89Å; Q60-Q64 WeakPolarHBondContact O-CG 3.17Å; Q60-Q64 PolarHBondContact O-N 3.43Å |
| 61 | A | 88.4 | Confident | 76.1 | Confident | 36 Ų | 36 | 103.4 Ų | 103.4 | 30% | 0.298 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -26.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L57 R58 M59 R65 | L57-A61 WeakPolarHBondContact O-CB 3.39Å; L57-A61 PolarHBondContact O-N 3.48Å; R58-A61 PolarHBondContact O-N 2.9Å; M59-A61 PolarHBondContact O-N 3.19Å; A61-R65 PolarHBondContact O-N 3.1Å; A61-R65 PolarHBondContact O-NE 3.46Å |
| 62 | L | 82.8 | Confident | 76 | Confident | 75 Ų | 75 | 106.5 Ų | 106.5 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.1 | -42.3 | 172.6 | -70.9 | 170.9 | 0 | 0 | 0 | 110.9 | R58 M59 Q60 R65 A66 | R58-L62 HydrophobicContact CG-CD1 4.37Å; R58-L62 WeakPolarHBondContact O-CG 3.42Å; R58-L62 PolarHBondContact O-N 3.13Å; M59-L62 WeakPolarHBondContact O-CB 3.45Å; M59-L62 PolarHBondContact O-N 3.5Å; M59-L62 VanDerWaalsContact O-N 3.1Å; M59-L62 HydrophobicContact SD-CD1 4.31Å; Q60-L62 VanDerWaalsContact C-N 3.29Å; Q60-L62 PolarHBondContact O-N 3.08Å; L62-R65 PolarHBondContact O-N 3.06Å; L62-A66 WeakPolarHBondContact O-CB 3.14Å; L62-A66 PolarHBondContact O-N 2.82Å |
| 63 | D | 84 | Confident | 75.7 | Confident | 96 Ų | 96 | 107.4 Ų | 107.4 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.8 | -79 | -14.5 | 0 | 0 | 0 | 112 | M59 Q60 A66 Q67 | M59-D63 PolarHBondContact O-N 3.42Å; Q60-D63 PolarHBondContact O-N 2.89Å; D63-A66 PolarHBondContact O-N 3.42Å; D63-Q67 WeakPolarHBondContact O-CG 3.33Å; D63-Q67 PolarHBondContact O-N 3.46Å |
| 64 | Q | 80 | Confident | 75.1 | Confident | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 174.3 | -76.9 | 174.9 | -7 | 0 | 0 | 111.7 | Q60 A66 Q67 E68 | Q60-Q64 WeakPolarHBondContact O-CG 3.17Å; Q60-Q64 PolarHBondContact O-N 3.43Å; Q64-A66 VanDerWaalsContact C-N 3.31Å; Q64-A66 PolarHBondContact O-N 3.12Å; Q64-Q67 WeakPolarHBondContact O-CB 3.47Å; Q64-Q67 PolarHBondContact O-N 3.42Å; Q64-Q67 VanDerWaalsContact O-N 3.17Å; Q64-E68 WeakPolarHBondContact O-CG 3.09Å; Q64-E68 PolarHBondContact O-N 3.44Å |
| 65 | R | 76.4 | Confident | 74.3 | Confident | 157 Ų | 157 | 101.9 Ų | 101.9 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -36 | 175.4 | -89.8 | -174.5 | -80.7 | 177.6 | -11.9 | 112.9 | A61 L62 Q67 E68 S69 | A61-R65 PolarHBondContact O-N 3.1Å; A61-R65 PolarHBondContact O-NE 3.46Å; L62-R65 PolarHBondContact O-N 3.06Å; R65-Q67 VanDerWaalsContact C-N 3.34Å; R65-E68 PolarHBondContact O-N 3.09Å; R65-S69 WeakPolarHBondContact O-CB 2.86Å; R65-S69 PolarHBondContact O-N 2.74Å; R65-S69 PolarHBondContact O-OG 2.91Å |
| 66 | A | 74 | Confident | 73.2 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | L62 D63 Q64 S69 N70 | L62-A66 WeakPolarHBondContact O-CB 3.14Å; L62-A66 PolarHBondContact O-N 2.82Å; D63-A66 PolarHBondContact O-N 3.42Å; Q64-A66 VanDerWaalsContact C-N 3.31Å; Q64-A66 PolarHBondContact O-N 3.12Å; A66-S69 PolarHBondContact O-OG 2.85Å; A66-S69 VanDerWaalsContact O-OG 3.09Å; A66-N70 WeakPolarHBondContact O-CA 3.5Å; A66-N70 WeakPolarHBondContact O-CB 3.36Å; A66-N70 PolarHBondContact O-N 3.17Å |
| 67 | Q | 72.1 | Confident | 72.1 | Confident | 121 Ų | 121 | 100.4 Ų | 100.4 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 175.3 | -73.3 | 177.9 | 3.8 | 0 | 0 | 112.6 | D63 Q64 R65 N70 M71 | D63-Q67 WeakPolarHBondContact O-CG 3.33Å; D63-Q67 PolarHBondContact O-N 3.46Å; Q64-Q67 WeakPolarHBondContact O-CB 3.47Å; Q64-Q67 PolarHBondContact O-N 3.42Å; Q64-Q67 VanDerWaalsContact O-N 3.17Å; R65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-N70 PolarHBondContact O-N 3.29Å; Q67-M71 HydrophobicContact CB-CE 4.48Å; Q67-M71 VanDerWaalsContact O-CB 3.3Å; Q67-M71 WeakPolarHBondContact O-CB 3.35Å; Q67-M71 WeakPolarHBondContact O-CG 3.48Å; Q67-M71 PolarHBondContact O-N 2.9Å |
| 68 | E | 69.5 | Low | 71.1 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 177.4 | -71.4 | 166.9 | 178.7 | 0 | 0 | 111.1 | Q64 R65 N70 M71 E72 | Q64-E68 WeakPolarHBondContact O-CG 3.09Å; Q64-E68 PolarHBondContact O-N 3.44Å; R65-E68 PolarHBondContact O-N 3.09Å; E68-N70 VanDerWaalsContact C-N 3.33Å; E68-N70 PolarHBondContact O-N 3.42Å; E68-M71 HydrophobicContact CG-CE 4.43Å; E68-M71 PolarHBondContact O-N 3.33Å; E68-E72 WeakPolarHBondContact O-CB 3.36Å; E68-E72 VanDerWaalsContact O-CG 3.28Å; E68-E72 WeakPolarHBondContact O-CG 3.17Å; E68-E72 PolarHBondContact O-N 3.33Å |
| 69 | S | 64.7 | Low | 69.8 | Low | 64 Ų | 64 | 96.6 Ų | 96.6 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 177.3 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | R65 A66 Y73 | R65-S69 WeakPolarHBondContact O-CB 2.86Å; R65-S69 PolarHBondContact O-N 2.74Å; R65-S69 PolarHBondContact O-OG 2.91Å; A66-S69 PolarHBondContact O-OG 2.85Å; A66-S69 VanDerWaalsContact O-OG 3.09Å; S69-Y73 WeakPolarHBondContact O-CB 3.34Å; S69-Y73 PolarHBondContact O-N 2.85Å |
| 70 | N | 66 | Low | 68.5 | Low | 78 Ų | 78 | 96.2 Ų | 96.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 172.7 | 180 | -75.7 | 0 | 0 | 0 | 109.5 | A66 Q67 E68 E72 Y73 W74 | A66-N70 WeakPolarHBondContact O-CA 3.5Å; A66-N70 WeakPolarHBondContact O-CB 3.36Å; A66-N70 PolarHBondContact O-N 3.17Å; Q67-N70 PolarHBondContact O-N 3.29Å; E68-N70 VanDerWaalsContact C-N 3.33Å; E68-N70 PolarHBondContact O-N 3.42Å; N70-E72 PolarHBondContact O-N 2.83Å; N70-Y73 CarbonylContact O-C 3.59Å; N70-Y73 WeakPolarHBondContact O-CB 3.32Å; N70-Y73 PolarHBondContact O-N 3.49Å; N70-Y73 VanDerWaalsContact O-N 3.12Å; N70-W74 VanDerWaalsContact CG-CD1 3.46Å; N70-W74 PolarHBondContact ND2-NE1 3.38Å; N70-W74 PolarHBondContact O-N 3.45Å; N70-W74 PolarHBondContact OD1-NE1 3.02Å |
| 71 | M | 60.3 | Low | 67 | Low | 99 Ų | 99 | 96.3 Ų | 96.3 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.8 | -73.3 | -174.8 | -62.1 | 0 | 0 | 112.6 | Q67 E68 Y73 W74 L75 | Q67-M71 HydrophobicContact CB-CE 4.48Å; Q67-M71 VanDerWaalsContact O-CB 3.3Å; Q67-M71 WeakPolarHBondContact O-CB 3.35Å; Q67-M71 WeakPolarHBondContact O-CG 3.48Å; Q67-M71 PolarHBondContact O-N 2.9Å; E68-M71 HydrophobicContact CG-CE 4.43Å; E68-M71 PolarHBondContact O-N 3.33Å; M71-Y73 VanDerWaalsContact C-N 3.29Å; M71-Y73 PolarHBondContact O-N 2.96Å; M71-W74 PolarHBondContact O-N 3.07Å; M71-L75 WeakPolarHBondContact O-CB 3.4Å; M71-L75 WeakPolarHBondContact O-CD1 3.48Å; M71-L75 VanDerWaalsContact O-CG 3.3Å; M71-L75 WeakPolarHBondContact O-CG 3.39Å; M71-L75 PolarHBondContact O-N 3.48Å |
| 72 | E | 60.8 | Low | 65.3 | Low | 144 Ų | 144 | 105 Ų | 105 | 67% | 0.673 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | 173.9 | -74 | 177.4 | 176.5 | 0 | 0 | 111.5 | E68 N70 N76 | E68-E72 WeakPolarHBondContact O-CB 3.36Å; E68-E72 VanDerWaalsContact O-CG 3.28Å; E68-E72 WeakPolarHBondContact O-CG 3.17Å; E68-E72 PolarHBondContact O-N 3.33Å; N70-E72 PolarHBondContact O-N 2.83Å; E72-N76 VanDerWaalsContact O-CB 3.23Å; E72-N76 WeakPolarHBondContact O-CB 3.23Å; E72-N76 PolarHBondContact O-N 2.84Å; E72-N76 VanDerWaalsContact O-N 3.15Å |
| 73 | Y | 61 | Low | 63.9 | Low | 113 Ų | 113 | 101.8 Ų | 101.8 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.4 | -37.5 | 178.8 | -171.8 | -108.4 | 0 | 0 | 0 | 113.2 | S69 N70 M71 C79 C83 | S69-Y73 WeakPolarHBondContact O-CB 3.34Å; S69-Y73 PolarHBondContact O-N 2.85Å; N70-Y73 CarbonylContact O-C 3.59Å; N70-Y73 WeakPolarHBondContact O-CB 3.32Å; N70-Y73 PolarHBondContact O-N 3.49Å; N70-Y73 VanDerWaalsContact O-N 3.12Å; M71-Y73 VanDerWaalsContact C-N 3.29Å; M71-Y73 PolarHBondContact O-N 2.96Å; Y73-C79 WeakPolarHBondContact CD2-SG 3.5Å; Y73-C79 WeakPolarHBondContact O-CB 3.4Å; Y73-C79 PolarHBondContact O-SG 2.97Å; Y73-C83 HydrophobicContact CD1-CB 3.69Å; Y73-C83 HydrophobicContact CE1-CB 3.33Å; Y73-C83 WeakPolarHBondContact CE1-SG 3.19Å; Y73-C83 HydrophobicContact CG-CB 4.48Å; Y73-C83 PolarHBondContact OH-SG 3.37Å |
| 74 | W | 60 | Low | 62.6 | Low | 76 Ų | 76 | 100.1 Ų | 100.1 | 29% | 0.288 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -79 | -25.5 | 177.3 | -59.7 | 113.3 | 0 | 0 | 0 | 113.1 | N70 M71 C83 D84 R85 | N70-W74 VanDerWaalsContact CG-CD1 3.46Å; N70-W74 PolarHBondContact ND2-NE1 3.38Å; N70-W74 PolarHBondContact O-N 3.45Å; N70-W74 PolarHBondContact OD1-NE1 3.02Å; M71-W74 PolarHBondContact O-N 3.07Å; W74-C83 WeakPolarHBondContact CZ3-O 3.3Å; W74-D84 VanDerWaalsContact CE3-CA 3.46Å; W74-D84 VanDerWaalsContact CZ3-N 3.27Å; W74-D84 VanDerWaalsContact CZ3-O 3.24Å; W74-D84 WeakPolarHBondContact CZ3-O 3.33Å; W74-R85 HydrophobicContact CD2-CB 4.05Å; W74-R85 VanDerWaalsContact CE3-CA 3.44Å; W74-R85 HydrophobicContact CE3-CB 3.79Å; W74-R85 VanDerWaalsContact CZ3-CA 3.44Å; W74-R85 HydrophobicContact CZ3-CB 4.21Å |
| 75 | L | 57.3 | Low | 61.2 | Low | 142 Ų | 142 | 105 Ų | 105 | 74% | 0.743 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -94.2 | -3.1 | 178.5 | -67.6 | 166.2 | 0 | 0 | 0 | 113.1 | M71 P77 | M71-L75 WeakPolarHBondContact O-CB 3.4Å; M71-L75 WeakPolarHBondContact O-CD1 3.48Å; M71-L75 VanDerWaalsContact O-CG 3.3Å; M71-L75 WeakPolarHBondContact O-CG 3.39Å; M71-L75 PolarHBondContact O-N 3.48Å; L75-P77 VanDerWaalsContact O-CD 3.27Å; L75-P77 WeakPolarHBondContact O-CD 3.28Å |
| 76 | N | 56.9 | Low | 60.4 | Low | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | trans | -79.2 | 114.9 | 177.2 | -179.6 | 11.9 | 0 | 0 | 0 | 110.8 | E72 H78 C79 | E72-N76 VanDerWaalsContact O-CB 3.23Å; E72-N76 WeakPolarHBondContact O-CB 3.23Å; E72-N76 PolarHBondContact O-N 2.84Å; E72-N76 VanDerWaalsContact O-N 3.15Å; N76-H78 PolarHBondContact O-N 3.43Å; N76-H78 PolarHBondContact OD1-N 2.92Å; N76-H78 VanDerWaalsContact OD1-N 3.11Å; N76-C79 HydrophobicContact CB-CB 4.29Å; N76-C79 PolarHBondContact ND2-SG 2.66Å; N76-C79 VanDerWaalsContact ND2-SG 3.43Å; N76-C79 WeakPolarHBondContact O-CB 3.21Å; N76-C79 PolarHBondContact O-N 2.96Å | ||
| 77 | P | 58.3 | Low | 59.4 | Low | 118 Ų | 118 | 110.3 Ų | 110.3 | 77% | 0.766 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.5 | -179.8 | 26.9 | -33.1 | 0 | 0 | 0 | 114 | L75 | L75-P77 VanDerWaalsContact O-CD 3.27Å; L75-P77 WeakPolarHBondContact O-CD 3.28Å |
| 78 | H | 63.6 | Low | 58.5 | Low | 165 Ų | 165 | 106.3 Ų | 106.3 | 76% | 0.764 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 5.1 | 174.5 | -63.4 | -64.4 | 0 | 0 | 0 | 114.1 | N76 | N76-H78 PolarHBondContact O-N 3.43Å; N76-H78 PolarHBondContact OD1-N 2.92Å; N76-H78 VanDerWaalsContact OD1-N 3.11Å |
| 79 | C | 57.6 | Low | 57.4 | Low | 31 Ų | 31 | 109.9 Ų | 109.9 | 21% | 0.209 | 55% | 0.545 | C | S | . | . | S | Bend | trans | -74.8 | 140.9 | 177.1 | -89.5 | 0 | 0 | 0 | 0 | 112 | Y73 N76 C83 | Y73-C79 WeakPolarHBondContact CD2-SG 3.5Å; Y73-C79 WeakPolarHBondContact O-CB 3.4Å; Y73-C79 PolarHBondContact O-SG 2.97Å; N76-C79 HydrophobicContact CB-CB 4.29Å; N76-C79 PolarHBondContact ND2-SG 2.66Å; N76-C79 VanDerWaalsContact ND2-SG 3.43Å; N76-C79 WeakPolarHBondContact O-CB 3.21Å; N76-C79 PolarHBondContact O-N 2.96Å; C79-C83 HydrophobicContact CB-CB 3.65Å |
| 80 | P | 58.3 | Low | 56.6 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | trans | -62.4 | 159 | 178.4 | 20.5 | -27 | 0 | 0 | 0 | 112 | R82 C83 | P80-R82 PolarHBondContact O-N 3.11Å; P80-C83 WeakPolarHBondContact O-CB 3.3Å; P80-C83 PolarHBondContact O-N 3.05Å; P80-C83 PolarHBondContact O-SG 3.15Å | ||
| 81 | P | 55.6 | Low | 55.8 | Low | 114 Ų | 114 | 119.1 Ų | 119.1 | 74% | 0.74 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -64.6 | -5 | -168.4 | 23.9 | -34.9 | 0 | 0 | 0 | 116 | C83 | P81-C83 PolarHBondContact O-N 3.09Š|
| 82 | R | 52.9 | Low | 55.5 | Low | 220 Ų | 220 | 120.1 Ų | 120.1 | 83% | 0.83 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -80 | 2.4 | 172.2 | -57 | -175.7 | -161.1 | -92.1 | 0.4 | 112.7 | P80 | P80-R82 PolarHBondContact O-N 3.11Š|
| 83 | C | 53.4 | Low | 55.3 | Low | 7 Ų | 7 | 118.8 Ų | 118.8 | 5% | 0.047 | 61% | 0.605 | C | S | . | * | G | 310 helix | trans | -122.4 | 20.8 | -169.6 | -40.6 | 0 | 0 | 0 | 0 | 110.9 | Y73 W74 C79 P80 P81 | Y73-C83 HydrophobicContact CD1-CB 3.69Å; Y73-C83 HydrophobicContact CE1-CB 3.33Å; Y73-C83 WeakPolarHBondContact CE1-SG 3.19Å; Y73-C83 HydrophobicContact CG-CB 4.48Å; Y73-C83 PolarHBondContact OH-SG 3.37Å; W74-C83 WeakPolarHBondContact CZ3-O 3.3Å; C79-C83 HydrophobicContact CB-CB 3.65Å; P80-C83 WeakPolarHBondContact O-CB 3.3Å; P80-C83 PolarHBondContact O-N 3.05Å; P80-C83 PolarHBondContact O-SG 3.15Å; P81-C83 PolarHBondContact O-N 3.09Å |
| 84 | D | 55.3 | Low | 54.9 | Low | 60 Ų | 60 | 119.2 Ų | 119.2 | 32% | 0.321 | 61% | 0.614 | S | S | . | * | trans | -102.6 | 124.8 | 162 | -177.1 | -14.7 | 0 | 0 | 0 | 109.6 | W74 N86 Y87 G88 | W74-D84 VanDerWaalsContact CE3-CA 3.46Å; W74-D84 VanDerWaalsContact CZ3-N 3.27Å; W74-D84 VanDerWaalsContact CZ3-O 3.24Å; W74-D84 WeakPolarHBondContact CZ3-O 3.33Å; D84-N86 PolarHBondContact O-N 2.92Å; D84-N86 VanDerWaalsContact O-N 3.08Å; D84-N86 WeakPolarHBondContact OD1-CB 3.49Å; D84-N86 PolarHBondContact OD1-N 2.79Å; D84-N86 PolarHBondContact OD1-ND2 3.22Å; D84-Y87 HydrophobicContact CB-CD2 4.01Å; D84-Y87 PolarHBondContact O-N 3.44Å; D84-Y87 VanDerWaalsContact OD2-CD2 3.32Å; D84-Y87 WeakPolarHBondContact OD2-CD2 3.27Å; D84-G88 PolarHBondContact O-N 2.77Å; D84-G88 VanDerWaalsContact O-N 3.13Å | ||
| 85 | R | 52.3 | Low | 54.7 | Low | 200 Ų | 200 | 121.7 Ų | 121.7 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -20.6 | -171.6 | -168 | 179.8 | 111 | -179.1 | 2.8 | 110.5 | W74 | W74-R85 HydrophobicContact CD2-CB 4.05Å; W74-R85 VanDerWaalsContact CE3-CA 3.44Å; W74-R85 HydrophobicContact CE3-CB 3.79Å; W74-R85 VanDerWaalsContact CZ3-CA 3.44Å; W74-R85 HydrophobicContact CZ3-CB 4.21Å |
| 86 | N | 57.8 | Low | 54.5 | Low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -14.9 | 176.8 | -54.9 | -56.7 | 0 | 0 | 0 | 113.4 | D84 | D84-N86 PolarHBondContact O-N 2.92Å; D84-N86 VanDerWaalsContact O-N 3.08Å; D84-N86 WeakPolarHBondContact OD1-CB 3.49Å; D84-N86 PolarHBondContact OD1-N 2.79Å; D84-N86 PolarHBondContact OD1-ND2 3.22Å |
| 87 | Y | 54.6 | Low | 54.3 | Low | 182 Ų | 182 | 123.9 Ų | 123.9 | 71% | 0.714 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -8.1 | -176.8 | -75.5 | -87.7 | 0 | 0 | 0 | 114.4 | D84 | D84-Y87 HydrophobicContact CB-CD2 4.01Å; D84-Y87 PolarHBondContact O-N 3.44Å; D84-Y87 VanDerWaalsContact OD2-CD2 3.32Å; D84-Y87 WeakPolarHBondContact OD2-CD2 3.27Å |
| 88 | G | 52.2 | Low | 54 | Low | 38 Ų | 38 | 124.3 Ų | 124.3 | 39% | 0.392 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -80.7 | 117.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | D84 | D84-G88 PolarHBondContact O-N 2.77Å; D84-G88 VanDerWaalsContact O-N 3.13Å |
| 89 | H | 46.8 | Very low | 53.3 | Low | 175 Ų | 175 | 121.2 Ų | 121.2 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.9 | 163.8 | -81.4 | -65.8 | 0 | 0 | 0 | 109.5 | V91 | H89-V91 PolarHBondContact O-N 2.85Š|
| 90 | P | 48.1 | Very low | 53 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.2 | 172 | 27.3 | -31.6 | 0 | 0 | 0 | 108.7 | ||
| 91 | V | 48.3 | Very low | 52.5 | Low | 212 Ų | 212 | 133.5 Ų | 133.5 | 100% | 1.285 | 68% | 0.676 | S | S | * | * | trans | -91.6 | 0 | 166.9 | -166.3 | 0 | 0 | 0 | 0 | 108.1 | H89 | H89-V91 PolarHBondContact O-N 2.85Š|
Retrieved 91 of 91 residues in 415.5 ms
(Link to these results)