| 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 | 56.9 | Low | 70.3 | Confident | 208 Ų | 208 | 125.8 Ų | 125.8 | 100% | 1.025 | 63% | 0.628 | S | S | * | * | 0 | -41.7 | 0 | -74.6 | -178.2 | -176.4 | 0 | 0 | 113.3 | H3 Y4 C5 | M1-H3 PolarHBondContact O-N 3.2Å; M1-Y4 PolarHBondContact O-N 2.93Å; M1-Y4 VanDerWaalsContact O-N 3.15Å; M1-C5 PolarHBondContact O-N 2.89Å | |||
| 2 | A | 59.7 | Low | 71.6 | Confident | 73 Ų | 73 | 124.6 Ų | 124.6 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -56.3 | -38.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y4 C5 I6 | A2-Y4 VanDerWaalsContact C-N 3.31Å; A2-Y4 PolarHBondContact O-N 3.49Å; A2-C5 PolarHBondContact O-N 3.19Å; A2-I6 WeakPolarHBondContact O-CG1 3.36Å; A2-I6 PolarHBondContact O-N 3.33Å; A2-I6 VanDerWaalsContact O-N 3.13Å |
| 3 | H | 57 | Low | 72.5 | Confident | 149 Ų | 149 | 120.2 Ų | 120.2 | 69% | 0.69 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.9 | -35.2 | 176.8 | -106.5 | -98.7 | 0 | 0 | 0 | 113.8 | M1 H7 | M1-H3 PolarHBondContact O-N 3.2Å; H3-H7 PolarHBondContact O-N 3.47Å; H3-H7 VanDerWaalsContact O-N 3.12Å |
| 4 | Y | 62.5 | Low | 73.2 | Confident | 181 Ų | 181 | 116.4 Ų | 116.4 | 71% | 0.71 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -38.6 | 177.4 | -80.6 | -86.4 | 0 | 0 | 0 | 111.7 | M1 A2 H7 N8 | M1-Y4 PolarHBondContact O-N 2.93Å; M1-Y4 VanDerWaalsContact O-N 3.15Å; A2-Y4 VanDerWaalsContact C-N 3.31Å; A2-Y4 PolarHBondContact O-N 3.49Å; Y4-H7 PolarHBondContact O-N 3.46Å; Y4-N8 PolarHBondContact O-N 3.16Å |
| 5 | C | 67.2 | Low | 74 | Confident | 88 Ų | 88 | 114.1 Ų | 114.1 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -41.4 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | M1 A2 N8 F9 | M1-C5 PolarHBondContact O-N 2.89Å; A2-C5 PolarHBondContact O-N 3.19Å; C5-N8 PolarHBondContact O-N 3.01Å; C5-F9 PolarHBondContact O-N 3.36Å |
| 6 | I | 74.8 | Confident | 74.7 | Confident | 92 Ų | 92 | 112.9 Ų | 112.9 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -45.4 | 178.8 | -66.7 | 166.7 | 0 | 0 | 0 | 110.9 | A2 N8 F9 F10 | A2-I6 WeakPolarHBondContact O-CG1 3.36Å; A2-I6 PolarHBondContact O-N 3.33Å; A2-I6 VanDerWaalsContact O-N 3.13Å; I6-N8 PolarHBondContact O-N 3.46Å; I6-F9 PolarHBondContact O-N 2.9Å; I6-F10 HydrophobicContact CG2-CD2 3.81Å; I6-F10 HydrophobicContact CG2-CE2 3.77Å; I6-F10 WeakPolarHBondContact O-CD2 3.41Å; I6-F10 PolarHBondContact O-N 3.11Å |
| 7 | H | 70.4 | Confident | 75.2 | Confident | 121 Ų | 121 | 111.5 Ų | 111.5 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61 | -41.9 | 175.8 | -85.7 | 167.8 | 0 | 0 | 0 | 112.9 | H3 Y4 F9 F10 L11 | H3-H7 PolarHBondContact O-N 3.47Å; H3-H7 VanDerWaalsContact O-N 3.12Å; Y4-H7 PolarHBondContact O-N 3.46Å; H7-F9 VanDerWaalsContact C-N 3.3Å; H7-F9 PolarHBondContact O-N 3.1Å; H7-F10 PolarHBondContact O-N 3.02Å; H7-L11 PolarHBondContact O-N 3.03Å |
| 8 | N | 75.6 | Confident | 75.3 | Confident | 102 Ų | 102 | 111.9 Ų | 111.9 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63 | -38.2 | 176.6 | -76.9 | -9.6 | 0 | 0 | 0 | 112 | Y4 C5 I6 L11 L12 | Y4-N8 PolarHBondContact O-N 3.16Å; C5-N8 PolarHBondContact O-N 3.01Å; I6-N8 PolarHBondContact O-N 3.46Å; N8-L11 PolarHBondContact O-N 3.34Å; N8-L12 WeakPolarHBondContact O-CB 3.35Å; N8-L12 PolarHBondContact O-N 3.28Å |
| 9 | F | 84 | Confident | 75.8 | Confident | 137 Ų | 137 | 112.9 Ų | 112.9 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.7 | -45.4 | 176 | -175.1 | -102.2 | 0 | 0 | 0 | 112.1 | C5 I6 H7 L11 L12 L13 | C5-F9 PolarHBondContact O-N 3.36Å; I6-F9 PolarHBondContact O-N 2.9Å; H7-F9 VanDerWaalsContact C-N 3.3Å; H7-F9 PolarHBondContact O-N 3.1Å; F9-L11 PolarHBondContact O-N 2.93Å; F9-L12 PolarHBondContact O-N 3.19Å; F9-L13 HydrophobicContact CD1-CD1 3.76Å; F9-L13 HydrophobicContact CE1-CD1 3.28Å; F9-L13 HydrophobicContact CE1-CG 4.34Å; F9-L13 HydrophobicContact CZ-CD1 3.82Å; F9-L13 HydrophobicContact CZ-CG 4.5Å; F9-L13 PolarHBondContact O-N 2.94Å |
| 10 | F | 83.4 | Confident | 76.2 | Confident | 127 Ų | 127 | 114.4 Ų | 114.4 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.1 | -42.5 | 175.6 | -87.6 | -73.2 | 0 | 0 | 0 | 112.7 | I6 H7 L12 L13 C14 | I6-F10 HydrophobicContact CG2-CD2 3.81Å; I6-F10 HydrophobicContact CG2-CE2 3.77Å; I6-F10 WeakPolarHBondContact O-CD2 3.41Å; I6-F10 PolarHBondContact O-N 3.11Å; H7-F10 PolarHBondContact O-N 3.02Å; F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 3.4Å; F10-L13 PolarHBondContact O-N 3.47Å; F10-C14 PolarHBondContact O-N 2.9Å; F10-C14 PolarHBondContact O-SG 3.48Å; F10-C14 VanDerWaalsContact O-SG 3.33Å |
| 11 | L | 82 | Confident | 76.4 | Confident | 106 Ų | 106 | 114.4 Ų | 114.4 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.2 | -43.3 | 175.4 | -94.3 | 154.6 | 0 | 0 | 0 | 112 | H7 N8 F9 C14 I15 | H7-L11 PolarHBondContact O-N 3.03Å; N8-L11 PolarHBondContact O-N 3.34Å; F9-L11 PolarHBondContact O-N 2.93Å; L11-C14 PolarHBondContact O-N 2.97Å; L11-I15 VanDerWaalsContact O-CG1 3.31Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 3.47Å |
| 12 | L | 85.6 | Confident | 77.7 | Confident | 111 Ų | 111 | 111.5 Ų | 111.5 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 180 | -143.5 | 136 | 0 | 0 | 0 | 111.5 | N8 F9 F10 I15 L16 | N8-L12 WeakPolarHBondContact O-CB 3.35Å; N8-L12 PolarHBondContact O-N 3.28Å; F9-L12 PolarHBondContact O-N 3.19Å; F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 3.4Å; L12-I15 PolarHBondContact O-N 3Å; L12-L16 HydrophobicContact CD2-CD1 4.04Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 2.95Å |
| 13 | L | 83.7 | Confident | 78.7 | Confident | 67 Ų | 67 | 111.4 Ų | 111.4 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.8 | -47.3 | 171.6 | -92.9 | 162.4 | 0 | 0 | 0 | 112.1 | F9 F10 I15 L16 I17 | F9-L13 HydrophobicContact CD1-CD1 3.76Å; F9-L13 HydrophobicContact CE1-CD1 3.28Å; F9-L13 HydrophobicContact CE1-CG 4.34Å; F9-L13 HydrophobicContact CZ-CD1 3.82Å; F9-L13 HydrophobicContact CZ-CG 4.5Å; F9-L13 PolarHBondContact O-N 2.94Å; F10-L13 PolarHBondContact O-N 3.47Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 3.16Å; L13-L16 PolarHBondContact O-N 3.44Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 2.94Å |
| 14 | C | 82.1 | Confident | 80.1 | Confident | 67 Ų | 67 | 106.9 Ų | 106.9 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 177.4 | -72.2 | 0 | 0 | 0 | 0 | 112 | F10 L11 Q18 | F10-C14 PolarHBondContact O-N 2.9Å; F10-C14 PolarHBondContact O-SG 3.48Å; F10-C14 VanDerWaalsContact O-SG 3.33Å; L11-C14 PolarHBondContact O-N 2.97Å; C14-Q18 WeakPolarHBondContact O-CB 3.25Å; C14-Q18 VanDerWaalsContact O-CG 3.26Å; C14-Q18 WeakPolarHBondContact O-CG 3.49Å; C14-Q18 PolarHBondContact O-N 3.48Å |
| 15 | I | 85.8 | Confident | 81.2 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.4 | -68.9 | 165.3 | 0 | 0 | 0 | 110.9 | L11 L12 L13 Q18 K19 | L11-I15 VanDerWaalsContact O-CG1 3.31Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 3Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 3.16Å; I15-Q18 PolarHBondContact O-N 3.2Å; I15-K19 HydrophobicContact CG2-CD 4.49Å; I15-K19 WeakPolarHBondContact O-CG 3.41Å; I15-K19 PolarHBondContact O-N 3.45Å |
| 16 | L | 83.9 | Confident | 81.9 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 177.9 | -72.1 | 171.3 | 0 | 0 | 0 | 111.3 | L12 L13 Q18 K19 E20 | L12-L16 HydrophobicContact CD2-CD1 4.04Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 2.95Å; L13-L16 PolarHBondContact O-N 3.44Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.23Å; L16-K19 WeakPolarHBondContact O-CB 3.4Å; L16-K19 PolarHBondContact O-N 3.47Å; L16-K19 VanDerWaalsContact O-N 3.12Å; L16-E20 PolarHBondContact O-N 3.35Å |
| 17 | I | 83.3 | Confident | 82.3 | Confident | 89 Ų | 89 | 105.1 Ų | 105.1 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 177.3 | -67.1 | 166.2 | 0 | 0 | 0 | 110.8 | L13 K19 E20 L21 | L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 2.94Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 3.33Å; I17-E20 PolarHBondContact O-N 2.95Å; I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 HydrophobicContact CG2-CG 4.37Å; I17-L21 WeakPolarHBondContact O-CB 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.33Å; I17-L21 PolarHBondContact O-N 3.37Å |
| 18 | Q | 77.5 | Confident | 83.1 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -36.7 | 177.1 | -77.8 | -179.3 | -12 | 0 | 0 | 112.8 | C14 I15 L16 K22 | C14-Q18 WeakPolarHBondContact O-CB 3.25Å; C14-Q18 VanDerWaalsContact O-CG 3.26Å; C14-Q18 WeakPolarHBondContact O-CG 3.49Å; C14-Q18 PolarHBondContact O-N 3.48Å; I15-Q18 PolarHBondContact O-N 3.2Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 3.23Å; Q18-K22 VanDerWaalsContact O-CG 3.31Å; Q18-K22 WeakPolarHBondContact O-CG 3.42Å; Q18-K22 PolarHBondContact O-N 2.98Å; Q18-K22 VanDerWaalsContact O-N 3.17Å |
| 19 | K | 84.5 | Confident | 83.6 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -44.7 | 174.7 | -78.2 | -178 | 177.2 | -176.1 | 0 | 111.2 | I15 L16 I17 K22 C23 | I15-K19 HydrophobicContact CG2-CD 4.49Å; I15-K19 WeakPolarHBondContact O-CG 3.41Å; I15-K19 PolarHBondContact O-N 3.45Å; L16-K19 WeakPolarHBondContact O-CB 3.4Å; L16-K19 PolarHBondContact O-N 3.47Å; L16-K19 VanDerWaalsContact O-N 3.12Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 3.33Å; K19-K22 PolarHBondContact O-N 3.41Å; K19-C23 PolarHBondContact O-N 2.98Å; K19-C23 PolarHBondContact O-SG 3.43Å |
| 20 | E | 84 | Confident | 83.4 | Confident | 142 Ų | 142 | 102.2 Ų | 102.2 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | -179.6 | -162.8 | 168.7 | -167.6 | 0 | 0 | 111.7 | L16 I17 K22 C23 S24 | L16-E20 PolarHBondContact O-N 3.35Å; I17-E20 PolarHBondContact O-N 2.95Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 3.21Å; E20-C23 WeakPolarHBondContact O-CB 3.39Å; E20-C23 PolarHBondContact O-N 3.26Å; E20-S24 PolarHBondContact O-N 2.84Å |
| 21 | L | 80.8 | Confident | 83.5 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -40 | 173.3 | -73.2 | 170.9 | 0 | 0 | 0 | 112.7 | I17 S24 K25 | I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 HydrophobicContact CG2-CG 4.37Å; I17-L21 WeakPolarHBondContact O-CB 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.33Å; I17-L21 PolarHBondContact O-N 3.37Å; L21-S24 PolarHBondContact O-N 3.41Å; L21-K25 PolarHBondContact O-N 3.43Å |
| 22 | K | 84.8 | Confident | 84 | Confident | 146 Ų | 146 | 100.7 Ų | 100.7 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 174.6 | -76.8 | 177.9 | -177.9 | -176.6 | 0 | 111.4 | Q18 K19 E20 K25 I26 | Q18-K22 VanDerWaalsContact O-CG 3.31Å; Q18-K22 WeakPolarHBondContact O-CG 3.42Å; Q18-K22 PolarHBondContact O-N 2.98Å; Q18-K22 VanDerWaalsContact O-N 3.17Å; K19-K22 PolarHBondContact O-N 3.41Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 3.21Å; K22-K25 PolarHBondContact O-N 3.27Å; K22-I26 VanDerWaalsContact O-CG1 3.28Å; K22-I26 WeakPolarHBondContact O-CG1 3.47Å; K22-I26 PolarHBondContact O-N 3.28Å |
| 23 | C | 79.5 | Confident | 83.8 | Confident | 71 Ų | 71 | 98.3 Ų | 98.3 | 48% | 0.48 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.2 | -73 | 0 | 0 | 0 | 0 | 111.5 | K19 E20 K25 I26 I27 | K19-C23 PolarHBondContact O-N 2.98Å; K19-C23 PolarHBondContact O-SG 3.43Å; E20-C23 WeakPolarHBondContact O-CB 3.39Å; E20-C23 PolarHBondContact O-N 3.26Å; C23-K25 VanDerWaalsContact C-N 3.33Å; C23-K25 PolarHBondContact O-N 2.88Å; C23-I26 PolarHBondContact O-N 2.91Å; C23-I26 VanDerWaalsContact O-N 3.16Å; C23-I27 WeakPolarHBondContact O-CG1 3.26Å; C23-I27 PolarHBondContact O-N 3.24Å |
| 24 | S | 86.6 | Confident | 83.8 | Confident | 55 Ų | 55 | 97.7 Ų | 97.7 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.3 | -47.2 | 176.3 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | E20 L21 I26 I27 E28 | E20-S24 PolarHBondContact O-N 2.84Å; L21-S24 PolarHBondContact O-N 3.41Å; S24-I26 VanDerWaalsContact C-N 3.32Å; S24-I26 PolarHBondContact O-N 2.07Å; S24-I27 PolarHBondContact O-N 2.97Å; S24-E28 WeakPolarHBondContact O-CG 3.24Å; S24-E28 PolarHBondContact O-N 3.49Å |
| 25 | K | 85.7 | Confident | 84.2 | Confident | 134 Ų | 134 | 100 Ų | 100 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -34.2 | 179 | -165.1 | 172.7 | -173.4 | 175.8 | 0 | 113 | L21 K22 C23 N29 | L21-K25 PolarHBondContact O-N 3.43Å; K22-K25 PolarHBondContact O-N 3.27Å; C23-K25 VanDerWaalsContact C-N 3.33Å; C23-K25 PolarHBondContact O-N 2.88Å; K25-N29 WeakPolarHBondContact O-CB 3.36Å; K25-N29 PolarHBondContact O-N 3.48Å; K25-N29 PolarHBondContact O-ND2 2.9Å |
| 26 | I | 81.8 | Confident | 84.3 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 173.9 | -69.5 | 164.8 | 0 | 0 | 0 | 110.2 | K22 C23 S24 N29 I30 | K22-I26 VanDerWaalsContact O-CG1 3.28Å; K22-I26 WeakPolarHBondContact O-CG1 3.47Å; K22-I26 PolarHBondContact O-N 3.28Å; C23-I26 PolarHBondContact O-N 2.91Å; C23-I26 VanDerWaalsContact O-N 3.16Å; S24-I26 VanDerWaalsContact C-N 3.32Å; S24-I26 PolarHBondContact O-N 2.07Å; I26-N29 PolarHBondContact O-N 2.95Å; I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.45Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.48Å; I26-I30 PolarHBondContact O-N 3.44Å |
| 27 | I | 83.3 | Confident | 84.2 | Confident | 91 Ų | 91 | 104.1 Ų | 104.1 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -48.7 | 177.8 | -68.1 | 166.8 | 0 | 0 | 0 | 110.3 | C23 S24 N29 I30 E31 | C23-I27 WeakPolarHBondContact O-CG1 3.26Å; C23-I27 PolarHBondContact O-N 3.24Å; S24-I27 PolarHBondContact O-N 2.97Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 3.36Å; I27-I30 PolarHBondContact O-N 3.01Å; I27-I30 VanDerWaalsContact O-N 3.08Å; I27-E31 HydrophobicContact CG2-CG 4.35Å; I27-E31 WeakPolarHBondContact O-CG 3.14Å; I27-E31 PolarHBondContact O-N 3.25Å |
| 28 | E | 87.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.2 | -46.7 | 175.4 | -75.3 | 173.8 | 179.3 | 0 | 0 | 111.6 | S24 I30 E31 D32 | S24-E28 WeakPolarHBondContact O-CG 3.24Å; S24-E28 PolarHBondContact O-N 3.49Å; E28-I30 VanDerWaalsContact C-N 3.32Å; E28-I30 PolarHBondContact O-N 3.46Å; E28-E31 PolarHBondContact O-N 3.03Å; E28-D32 WeakPolarHBondContact O-CB 3.35Å; E28-D32 PolarHBondContact O-N 2.87Å |
| 29 | N | 85.8 | Confident | 84.8 | Confident | 89 Ų | 89 | 105.7 Ų | 105.7 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 177.1 | -73.2 | -11.9 | 0 | 0 | 0 | 113 | K25 I26 I27 S33 | K25-N29 WeakPolarHBondContact O-CB 3.36Å; K25-N29 PolarHBondContact O-N 3.48Å; K25-N29 PolarHBondContact O-ND2 2.9Å; I26-N29 PolarHBondContact O-N 2.95Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 3.36Å; N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.45Å; N29-S33 PolarHBondContact O-OG 3.44Å |
| 30 | I | 79.3 | Confident | 84.8 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 176 | -71 | 167.7 | 0 | 0 | 0 | 110.1 | I26 I27 E28 S33 A34 | I26-I30 HydrophobicContact CG2-CD1 3.79Å; I26-I30 HydrophobicContact CG2-CG1 4.45Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.48Å; I26-I30 PolarHBondContact O-N 3.44Å; I27-I30 PolarHBondContact O-N 3.01Å; I27-I30 VanDerWaalsContact O-N 3.08Å; E28-I30 VanDerWaalsContact C-N 3.32Å; E28-I30 PolarHBondContact O-N 3.46Å; I30-S33 PolarHBondContact O-N 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.45Å; I30-A34 PolarHBondContact O-N 2.97Å |
| 31 | E | 86.6 | Confident | 84.7 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177 | -72.6 | -179 | 179.5 | 0 | 0 | 111.8 | I27 E28 A34 K35 | I27-E31 HydrophobicContact CG2-CG 4.35Å; I27-E31 WeakPolarHBondContact O-CG 3.14Å; I27-E31 PolarHBondContact O-N 3.25Å; E28-E31 PolarHBondContact O-N 3.03Å; E31-A34 PolarHBondContact O-N 2.96Å; E31-K35 WeakPolarHBondContact O-CG 3.44Å; E31-K35 PolarHBondContact O-N 3.27Å |
| 32 | D | 91.4 | Very high | 85.2 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 175.8 | -75.5 | -14.6 | 0 | 0 | 0 | 111.6 | E28 K35 F36 | E28-D32 WeakPolarHBondContact O-CB 3.35Å; E28-D32 PolarHBondContact O-N 2.87Å; D32-K35 PolarHBondContact O-N 2.98Å; D32-F36 WeakPolarHBondContact O-CB 3.45Å; D32-F36 PolarHBondContact O-N 3.25Å |
| 33 | S | 82.8 | Confident | 85.4 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 42% | 0.42 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | N29 I30 F36 Y37 | N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.45Å; N29-S33 PolarHBondContact O-OG 3.44Å; I30-S33 PolarHBondContact O-N 3.28Å; S33-F36 WeakPolarHBondContact O-CB 3.25Å; S33-F36 PolarHBondContact O-N 3.41Å; S33-Y37 WeakPolarHBondContact O-CD2 3.43Å; S33-Y37 PolarHBondContact O-N 3.21Å |
| 34 | A | 83.2 | Confident | 85.6 | Confident | 54 Ų | 54 | 96.5 Ų | 96.5 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I30 E31 F36 Y37 E38 | I30-A34 WeakPolarHBondContact O-CB 3.45Å; I30-A34 PolarHBondContact O-N 2.97Å; E31-A34 PolarHBondContact O-N 2.96Å; A34-F36 VanDerWaalsContact C-N 3.33Å; A34-F36 PolarHBondContact O-N 3.23Å; A34-Y37 PolarHBondContact O-N 3.5Å; A34-E38 WeakPolarHBondContact O-CB 3.36Å; A34-E38 PolarHBondContact O-N 3.26Å |
| 35 | K | 89.1 | Confident | 85.6 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 174.6 | -71.7 | 170.6 | -172.2 | 161.7 | 0 | 112.3 | E31 D32 E38 V39 | E31-K35 WeakPolarHBondContact O-CG 3.44Å; E31-K35 PolarHBondContact O-N 3.27Å; D32-K35 PolarHBondContact O-N 2.98Å; K35-E38 PolarHBondContact O-N 2.91Å; K35-V39 PolarHBondContact O-N 3.38Å |
| 36 | F | 87.9 | Confident | 85.9 | Confident | 129 Ų | 129 | 99.8 Ų | 99.8 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 175.8 | 176.4 | -94.6 | 0 | 0 | 0 | 111.6 | D32 S33 A34 V39 R40 | D32-F36 WeakPolarHBondContact O-CB 3.45Å; D32-F36 PolarHBondContact O-N 3.25Å; S33-F36 WeakPolarHBondContact O-CB 3.25Å; S33-F36 PolarHBondContact O-N 3.41Å; A34-F36 VanDerWaalsContact C-N 3.33Å; A34-F36 PolarHBondContact O-N 3.23Å; F36-V39 PolarHBondContact O-N 2.65Å; F36-R40 HydrophobicContact CE1-CB 4.47Å; F36-R40 WeakPolarHBondContact O-CB 3.16Å; F36-R40 PolarHBondContact O-N 3.07Å |
| 37 | Y | 82.1 | Confident | 86.2 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.9 | -29.5 | 179.5 | -73.1 | -63.8 | 0 | 0 | 0 | 113.7 | S33 A34 V39 R40 L41 | S33-Y37 WeakPolarHBondContact O-CD2 3.43Å; S33-Y37 PolarHBondContact O-N 3.21Å; A34-Y37 PolarHBondContact O-N 3.5Å; Y37-V39 PolarHBondContact O-N 3.12Å; Y37-R40 PolarHBondContact O-N 2.96Å; Y37-L41 WeakPolarHBondContact O-CB 3.47Å; Y37-L41 VanDerWaalsContact O-CG 3.28Å; Y37-L41 WeakPolarHBondContact O-CG 3.25Å; Y37-L41 PolarHBondContact O-N 3.34Å |
| 38 | E | 86.3 | Confident | 86.1 | Confident | 146 Ų | 146 | 98.3 Ų | 98.3 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -34.3 | 174.8 | -169.2 | 174.1 | -166.1 | 0 | 0 | 111.8 | A34 K35 P42 | A34-E38 WeakPolarHBondContact O-CB 3.36Å; A34-E38 PolarHBondContact O-N 3.26Å; K35-E38 PolarHBondContact O-N 2.91Å; E38-P42 WeakPolarHBondContact O-CD 3.37Å |
| 39 | V | 88.7 | Confident | 86.2 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -82.6 | -41.6 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | K35 F36 Y37 P42 | K35-V39 PolarHBondContact O-N 3.38Å; F36-V39 PolarHBondContact O-N 2.65Å; Y37-V39 PolarHBondContact O-N 3.12Å; V39-P42 WeakPolarHBondContact O-CD 3.5Å |
| 40 | R | 83.8 | Confident | 86.4 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.3 | -31.3 | -172.9 | -172.1 | 60.2 | -175.6 | 153.3 | 10.7 | 113.7 | F36 Y37 E43 L44 E47 | F36-R40 HydrophobicContact CE1-CB 4.47Å; F36-R40 WeakPolarHBondContact O-CB 3.16Å; F36-R40 PolarHBondContact O-N 3.07Å; Y37-R40 PolarHBondContact O-N 2.96Å; R40-E43 WeakPolarHBondContact CD-OE2 3.42Å; R40-E43 IonicContact CZ-OE2 3.25Å; R40-E43 IonicContact NH1-OE2 3.12Å; R40-E43 PolarHBondContact NH1-OE2 3.45Å; R40-E43 PolarHBondContact O-N 3.45Å; R40-L44 HydrophobicContact CG-CD1 4.09Å; R40-L44 HydrophobicContact CG-CG 4.29Å; R40-L44 WeakPolarHBondContact O-CG 3.35Å; R40-L44 PolarHBondContact O-N 3.44Å; R40-E47 IonicContact CZ-OE1 3.79Å; R40-E47 IonicContact NH1-OE1 2.81Å; R40-E47 PolarHBondContact NH1-OE1 3.41Å; R40-E47 IonicContact NH2-OE1 3.47Å; R40-E47 PolarHBondContact NH2-OE1 2.98Å; R40-E47 VanDerWaalsContact NH2-OE1 3.12Å; R40-E47 IonicContact NH2-OE2 3.63Å; R40-E47 PolarHBondContact NH2-OE2 2.93Å |
| 41 | L | 82.5 | Confident | 86.6 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | -178.9 | -77.9 | 168.3 | 0 | 0 | 0 | 112.6 | Y37 E43 L44 D45 | Y37-L41 WeakPolarHBondContact O-CB 3.47Å; Y37-L41 VanDerWaalsContact O-CG 3.28Å; Y37-L41 WeakPolarHBondContact O-CG 3.25Å; Y37-L41 PolarHBondContact O-N 3.34Å; L41-E43 PolarHBondContact O-N 3.23Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-L44 VanDerWaalsContact O-N 3.11Å; L41-D45 PolarHBondContact O-N 2.94Å |
| 42 | P | 89.7 | Confident | 86.7 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -33.4 | 174.7 | -26.3 | 33.3 | 0 | 0 | 0 | 114.3 | E38 V39 K46 | E38-P42 WeakPolarHBondContact O-CD 3.37Å; V39-P42 WeakPolarHBondContact O-CD 3.5Å; P42-K46 WeakPolarHBondContact O-CB 3.49Å; P42-K46 PolarHBondContact O-N 3.47Å |
| 43 | E | 90.8 | Very high | 86.7 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.5 | -66.6 | 179.6 | 166.1 | 0 | 0 | 111.4 | R40 L41 K46 E47 | R40-E43 WeakPolarHBondContact CD-OE2 3.42Å; R40-E43 IonicContact CZ-OE2 3.25Å; R40-E43 IonicContact NH1-OE2 3.12Å; R40-E43 PolarHBondContact NH1-OE2 3.45Å; R40-E43 PolarHBondContact O-N 3.45Å; L41-E43 PolarHBondContact O-N 3.23Å; E43-K46 PolarHBondContact O-N 3.21Å; E43-E47 WeakPolarHBondContact O-CG 3.38Å; E43-E47 PolarHBondContact O-N 3.11Å |
| 44 | L | 82.4 | Confident | 87 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.6 | -71.9 | 171.3 | 0 | 0 | 0 | 111.9 | R40 L41 K46 E47 A48 | R40-L44 HydrophobicContact CG-CD1 4.09Å; R40-L44 HydrophobicContact CG-CG 4.29Å; R40-L44 WeakPolarHBondContact O-CG 3.35Å; R40-L44 PolarHBondContact O-N 3.44Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-L44 VanDerWaalsContact O-N 3.11Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.37Å; L44-E47 PolarHBondContact O-N 3.04Å; L44-A48 WeakPolarHBondContact O-CB 3.4Å; L44-A48 PolarHBondContact O-N 3.38Å |
| 45 | D | 86.1 | Confident | 86.9 | Confident | 114 Ų | 114 | 98.7 Ų | 98.7 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 174.8 | -73.4 | -19.3 | 0 | 0 | 0 | 111 | L41 A48 Q49 | L41-D45 PolarHBondContact O-N 2.94Å; D45-A48 PolarHBondContact O-N 2.96Å; D45-Q49 PolarHBondContact O-N 3.47Å |
| 46 | K | 92.7 | Very high | 86.6 | Confident | 144 Ų | 144 | 97.7 Ų | 97.7 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.1 | -42.9 | 175.3 | -172.2 | -179.1 | 178.9 | -176 | 0 | 112.2 | P42 E43 L44 A48 Q49 I50 | P42-K46 WeakPolarHBondContact O-CB 3.49Å; P42-K46 PolarHBondContact O-N 3.47Å; E43-K46 PolarHBondContact O-N 3.21Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.37Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.45Å; K46-Q49 PolarHBondContact O-N 3.02Å; K46-I50 HydrophobicContact CG-CD1 4.23Å; K46-I50 VanDerWaalsContact O-CG1 3.28Å; K46-I50 WeakPolarHBondContact O-CG1 3.41Å; K46-I50 PolarHBondContact O-N 3.05Å |
| 47 | E | 88.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 97.8 Ų | 97.8 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 174.7 | -73.8 | 172.5 | -158.6 | 0 | 0 | 110.8 | R40 E43 L44 I50 A51 | R40-E47 IonicContact CZ-OE1 3.79Å; R40-E47 IonicContact NH1-OE1 2.81Å; R40-E47 PolarHBondContact NH1-OE1 3.41Å; R40-E47 IonicContact NH2-OE1 3.47Å; R40-E47 PolarHBondContact NH2-OE1 2.98Å; R40-E47 VanDerWaalsContact NH2-OE1 3.12Å; R40-E47 IonicContact NH2-OE2 3.63Å; R40-E47 PolarHBondContact NH2-OE2 2.93Å; E43-E47 WeakPolarHBondContact O-CG 3.38Å; E43-E47 PolarHBondContact O-N 3.11Å; L44-E47 PolarHBondContact O-N 3.04Å; E47-I50 PolarHBondContact O-N 2.93Å; E47-A51 PolarHBondContact O-N 3.45Å; E47-A51 VanDerWaalsContact O-N 3.11Å |
| 48 | A | 81.4 | Confident | 86.4 | Confident | 60 Ų | 60 | 95 Ų | 95 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L44 D45 K46 I50 A51 E52 | L44-A48 WeakPolarHBondContact O-CB 3.4Å; L44-A48 PolarHBondContact O-N 3.38Å; D45-A48 PolarHBondContact O-N 2.96Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.45Å; A48-I50 VanDerWaalsContact C-N 3.34Å; A48-I50 PolarHBondContact O-N 3.11Å; A48-A51 PolarHBondContact O-N 3.26Å; A48-E52 PolarHBondContact O-N 3.3Å |
| 49 | Q | 88.7 | Confident | 86 | Confident | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 177.1 | -171 | 63.7 | 58.2 | 0 | 0 | 111.8 | D45 K46 A51 E52 D53 | D45-Q49 PolarHBondContact O-N 3.47Å; K46-Q49 PolarHBondContact O-N 3.02Å; Q49-A51 VanDerWaalsContact C-N 3.32Å; Q49-A51 PolarHBondContact O-N 2.87Å; Q49-E52 PolarHBondContact O-N 3.03Å; Q49-D53 PolarHBondContact NE2-OD1 3.28Å; Q49-D53 WeakPolarHBondContact O-CB 3.5Å; Q49-D53 VanDerWaalsContact O-CG 3.22Å; Q49-D53 PolarHBondContact O-N 2.92Å |
| 50 | I | 91.3 | Very high | 85.7 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 41% | 0.41 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.3 | -69 | 164.9 | 0 | 0 | 0 | 110.5 | K46 E47 A48 E52 D53 E54 | K46-I50 HydrophobicContact CG-CD1 4.23Å; K46-I50 VanDerWaalsContact O-CG1 3.28Å; K46-I50 WeakPolarHBondContact O-CG1 3.41Å; K46-I50 PolarHBondContact O-N 3.05Å; E47-I50 PolarHBondContact O-N 2.93Å; A48-I50 VanDerWaalsContact C-N 3.34Å; A48-I50 PolarHBondContact O-N 3.11Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-E52 PolarHBondContact O-N 2.87Å; I50-D53 PolarHBondContact O-N 3.2Å; I50-E54 WeakPolarHBondContact O-CB 3.42Å; I50-E54 WeakPolarHBondContact O-CG 3.28Å; I50-E54 PolarHBondContact O-N 3.36Å |
| 51 | A | 83.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 92 Ų | 92 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E47 A48 Q49 A55 | E47-A51 PolarHBondContact O-N 3.45Å; E47-A51 VanDerWaalsContact O-N 3.11Å; A48-A51 PolarHBondContact O-N 3.26Å; Q49-A51 VanDerWaalsContact C-N 3.32Å; Q49-A51 PolarHBondContact O-N 2.87Å; A51-A55 WeakPolarHBondContact O-CB 3.35Å; A51-A55 PolarHBondContact O-N 3.47Å |
| 52 | E | 88.3 | Confident | 85.3 | Confident | 123 Ų | 123 | 89.5 Ų | 89.5 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | 174.7 | -172.9 | 176.4 | -167.7 | 0 | 0 | 111.7 | A48 Q49 I50 E54 A55 Q56 | A48-E52 PolarHBondContact O-N 3.3Å; Q49-E52 PolarHBondContact O-N 3.03Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-E52 PolarHBondContact O-N 2.87Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.5Å; E52-A55 PolarHBondContact O-N 2.75Å; E52-Q56 WeakPolarHBondContact O-CB 3.36Å; E52-Q56 PolarHBondContact O-N 3.34Å |
| 53 | D | 91.5 | Very high | 84.8 | Confident | 93 Ų | 93 | 89.8 Ų | 89.8 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 178.4 | -68.9 | -10.3 | 0 | 0 | 0 | 111.4 | Q49 I50 Q56 K57 | Q49-D53 PolarHBondContact NE2-OD1 3.28Å; Q49-D53 WeakPolarHBondContact O-CB 3.5Å; Q49-D53 VanDerWaalsContact O-CG 3.22Å; Q49-D53 PolarHBondContact O-N 2.92Å; I50-D53 PolarHBondContact O-N 3.2Å; D53-Q56 PolarHBondContact O-N 3.31Å; D53-K57 WeakPolarHBondContact O-CB 3.18Å; D53-K57 PolarHBondContact O-N 3.35Å |
| 54 | E | 89 | Confident | 84.2 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | 175.1 | -75.8 | -176.3 | 175 | 0 | 0 | 112 | I50 E52 Q56 K57 V58 | I50-E54 WeakPolarHBondContact O-CB 3.42Å; I50-E54 WeakPolarHBondContact O-CG 3.28Å; I50-E54 PolarHBondContact O-N 3.36Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.5Å; E54-Q56 VanDerWaalsContact C-N 3.34Å; E54-Q56 PolarHBondContact O-N 3.25Å; E54-K57 WeakPolarHBondContact O-CB 3.49Å; E54-K57 PolarHBondContact O-N 3.3Å; E54-V58 WeakPolarHBondContact O-CG2 3.28Å; E54-V58 PolarHBondContact O-N 3.05Å |
| 55 | A | 79.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A51 E52 K57 V58 I59 | A51-A55 WeakPolarHBondContact O-CB 3.35Å; A51-A55 PolarHBondContact O-N 3.47Å; E52-A55 PolarHBondContact O-N 2.75Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.24Å; A55-V58 PolarHBondContact O-N 2.81Å; A55-I59 WeakPolarHBondContact O-CG1 3.4Å; A55-I59 PolarHBondContact O-N 3.25Å |
| 56 | Q | 83 | Confident | 82.9 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 178 | -172 | 58.5 | 58.4 | 0 | 0 | 111.7 | E52 D53 E54 I59 N60 | E52-Q56 WeakPolarHBondContact O-CB 3.36Å; E52-Q56 PolarHBondContact O-N 3.34Å; D53-Q56 PolarHBondContact O-N 3.31Å; E54-Q56 VanDerWaalsContact C-N 3.34Å; E54-Q56 PolarHBondContact O-N 3.25Å; Q56-I59 PolarHBondContact O-N 2.85Å; Q56-N60 PolarHBondContact NE2-OD1 2.95Å; Q56-N60 PolarHBondContact O-N 3.44Å; Q56-N60 PolarHBondContact O-ND2 3.28Å; Q56-N60 PolarHBondContact O-OD1 2.82Å |
| 57 | K | 86.1 | Confident | 81.8 | Confident | 131 Ų | 131 | 82.5 Ų | 82.5 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60 | -47.5 | 173.8 | -173.6 | -174.3 | 174.9 | -168.1 | 0 | 111.4 | D53 E54 A55 I59 N60 E61 | D53-K57 WeakPolarHBondContact O-CB 3.18Å; D53-K57 PolarHBondContact O-N 3.35Å; E54-K57 WeakPolarHBondContact O-CB 3.49Å; E54-K57 PolarHBondContact O-N 3.3Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.24Å; K57-I59 VanDerWaalsContact C-N 3.33Å; K57-I59 PolarHBondContact O-N 3.43Å; K57-N60 PolarHBondContact O-N 3.23Å; K57-E61 VanDerWaalsContact CE-OE1 3.25Å; K57-E61 WeakPolarHBondContact CE-OE1 3.37Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.33Å |
| 58 | V | 80.3 | Confident | 81.2 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | E54 A55 N60 E61 I62 | E54-V58 WeakPolarHBondContact O-CG2 3.28Å; E54-V58 PolarHBondContact O-N 3.05Å; A55-V58 PolarHBondContact O-N 2.81Å; V58-N60 VanDerWaalsContact C-N 3.34Å; V58-N60 PolarHBondContact O-N 2.85Å; V58-E61 PolarHBondContact O-N 3.01Å; V58-I62 HydrophobicContact CG1-CD1 3.97Å; V58-I62 VanDerWaalsContact O-CG1 3.32Å; V58-I62 WeakPolarHBondContact O-CG1 3.35Å; V58-I62 PolarHBondContact O-N 3.27Å |
| 59 | I | 78.8 | Confident | 80.6 | Confident | 81 Ų | 81 | 86.6 Ų | 86.6 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.5 | -70.5 | 166.9 | 0 | 0 | 0 | 110.8 | A55 Q56 K57 E61 I62 I63 | A55-I59 WeakPolarHBondContact O-CG1 3.4Å; A55-I59 PolarHBondContact O-N 3.25Å; Q56-I59 PolarHBondContact O-N 2.85Å; K57-I59 VanDerWaalsContact C-N 3.33Å; K57-I59 PolarHBondContact O-N 3.43Å; I59-E61 PolarHBondContact O-N 2.97Å; I59-I62 PolarHBondContact O-N 3.12Å; I59-I63 HydrophobicContact CG2-CD1 3.83Å; I59-I63 HydrophobicContact CG2-CG1 4.48Å; I59-I63 WeakPolarHBondContact O-CG1 3.46Å; I59-I63 PolarHBondContact O-N 3.47Å |
| 60 | N | 82.2 | Confident | 79.7 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.9 | -67.8 | -14 | 0 | 0 | 0 | 111.6 | Q56 K57 V58 I62 I63 D64 | Q56-N60 PolarHBondContact NE2-OD1 2.95Å; Q56-N60 PolarHBondContact O-N 3.44Å; Q56-N60 PolarHBondContact O-ND2 3.28Å; Q56-N60 PolarHBondContact O-OD1 2.82Å; K57-N60 PolarHBondContact O-N 3.23Å; V58-N60 VanDerWaalsContact C-N 3.34Å; V58-N60 PolarHBondContact O-N 2.85Å; N60-I62 VanDerWaalsContact C-N 3.31Å; N60-I62 PolarHBondContact O-N 3.47Å; N60-I63 PolarHBondContact O-N 2.94Å; N60-D64 PolarHBondContact O-N 3.36Å |
| 61 | E | 82.6 | Confident | 78.5 | Confident | 94 Ų | 94 | 87.5 Ų | 87.5 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 174.6 | -73.3 | 176 | -172.6 | 0 | 0 | 112 | K57 V58 I59 Q65 | K57-E61 VanDerWaalsContact CE-OE1 3.25Å; K57-E61 WeakPolarHBondContact CE-OE1 3.37Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.33Å; V58-E61 PolarHBondContact O-N 3.01Å; I59-E61 PolarHBondContact O-N 2.97Å; E61-Q65 WeakPolarHBondContact O-CB 3.43Å; E61-Q65 VanDerWaalsContact O-CG 3.3Å; E61-Q65 WeakPolarHBondContact O-CG 3.42Å; E61-Q65 PolarHBondContact O-N 3Å |
| 62 | I | 75.1 | Confident | 77.9 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 22% | 0.221 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 175.6 | -68.5 | 166.9 | 0 | 0 | 0 | 110.9 | V58 I59 N60 Q65 Q66 L76 | V58-I62 HydrophobicContact CG1-CD1 3.97Å; V58-I62 VanDerWaalsContact O-CG1 3.32Å; V58-I62 WeakPolarHBondContact O-CG1 3.35Å; V58-I62 PolarHBondContact O-N 3.27Å; I59-I62 PolarHBondContact O-N 3.12Å; N60-I62 VanDerWaalsContact C-N 3.31Å; N60-I62 PolarHBondContact O-N 3.47Å; I62-Q65 PolarHBondContact O-N 2.75Å; I62-Q66 WeakPolarHBondContact O-CG 3.45Å; I62-Q66 PolarHBondContact O-N 3.44Å; I62-L76 HydrophobicContact CG2-CD2 4.35Å |
| 63 | I | 77.8 | Confident | 76.9 | Confident | 83 Ų | 83 | 88.1 Ų | 88.1 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 178.4 | -68.7 | 168.5 | 0 | 0 | 0 | 110.8 | I59 N60 Q65 Q66 G67 | I59-I63 HydrophobicContact CG2-CD1 3.83Å; I59-I63 HydrophobicContact CG2-CG1 4.48Å; I59-I63 WeakPolarHBondContact O-CG1 3.46Å; I59-I63 PolarHBondContact O-N 3.47Å; N60-I63 PolarHBondContact O-N 2.94Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.18Å; I63-Q66 WeakPolarHBondContact O-CB 3.12Å; I63-Q66 PolarHBondContact O-N 3.41Å; I63-Q66 VanDerWaalsContact O-N 3.16Å; I63-G67 PolarHBondContact O-N 2.89Å |
| 64 | D | 79 | Confident | 75.8 | Confident | 108 Ų | 108 | 86 Ų | 86 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 177.4 | -78.1 | -11.1 | 0 | 0 | 0 | 111.2 | N60 Q66 G67 N68 | N60-D64 PolarHBondContact O-N 3.36Å; D64-Q66 VanDerWaalsContact C-N 3.33Å; D64-Q66 PolarHBondContact O-N 3.38Å; D64-G67 PolarHBondContact O-N 3.06Å; D64-N68 VanDerWaalsContact O-CG 3.29Å; D64-N68 PolarHBondContact O-N 3.37Å; D64-N68 PolarHBondContact O-ND2 3.4Å |
| 65 | Q | 72.3 | Confident | 74.9 | Confident | 75 Ų | 75 | 86.2 Ų | 86.2 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 174.1 | -74.5 | -174.7 | 10.1 | 0 | 0 | 112.2 | E61 I62 I63 N68 H69 | E61-Q65 WeakPolarHBondContact O-CB 3.43Å; E61-Q65 VanDerWaalsContact O-CG 3.3Å; E61-Q65 WeakPolarHBondContact O-CG 3.42Å; E61-Q65 PolarHBondContact O-N 3Å; I62-Q65 PolarHBondContact O-N 2.75Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.18Å; Q65-N68 PolarHBondContact O-N 3.43Å; Q65-H69 WeakPolarHBondContact O-CB 3.47Å; Q65-H69 PolarHBondContact O-CD2 3.08Å; Q65-H69 PolarHBondContact O-N 2.88Å |
| 66 | Q | 68.2 | Low | 74.4 | Confident | 26 Ų | 26 | 84.6 Ų | 84.6 | 12% | 0.121 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 173.7 | -77.5 | 175.3 | 8.6 | 0 | 0 | 112 | I62 I63 D64 N68 H69 N70 V71 L76 | I62-Q66 WeakPolarHBondContact O-CG 3.45Å; I62-Q66 PolarHBondContact O-N 3.44Å; I63-Q66 WeakPolarHBondContact O-CB 3.12Å; I63-Q66 PolarHBondContact O-N 3.41Å; I63-Q66 VanDerWaalsContact O-N 3.16Å; D64-Q66 VanDerWaalsContact C-N 3.33Å; D64-Q66 PolarHBondContact O-N 3.38Å; Q66-N68 VanDerWaalsContact C-N 3.32Å; Q66-N68 PolarHBondContact O-N 2.86Å; Q66-H69 PolarHBondContact O-N 2.9Å; Q66-N70 PolarHBondContact O-N 3.19Å; Q66-V71 PolarHBondContact O-N 3.16Å; Q66-L76 HydrophobicContact CG-CD1 3.27Å |
| 67 | G | 71.3 | Confident | 73.7 | Confident | 58 Ų | 58 | 83.8 Ų | 83.8 | 60% | 0.598 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.5 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I63 D64 H69 | I63-G67 PolarHBondContact O-N 2.89Å; D64-G67 PolarHBondContact O-N 3.06Å; G67-H69 PolarHBondContact O-N 3.04Å |
| 68 | N | 73.8 | Confident | 73.1 | Confident | 136 Ų | 136 | 83.4 Ų | 83.4 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.7 | -31.8 | -179.3 | -70.2 | -28.9 | 0 | 0 | 0 | 113.6 | D64 Q65 Q66 | D64-N68 VanDerWaalsContact O-CG 3.29Å; D64-N68 PolarHBondContact O-N 3.37Å; D64-N68 PolarHBondContact O-ND2 3.4Å; Q65-N68 PolarHBondContact O-N 3.43Å; Q66-N68 VanDerWaalsContact C-N 3.32Å; Q66-N68 PolarHBondContact O-N 2.86Å |
| 69 | H | 69.1 | Low | 72.6 | Confident | 108 Ų | 108 | 80.7 Ų | 80.7 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -98.7 | 0.1 | -178.7 | -66 | -64.6 | 0 | 0 | 0 | 114.1 | Q65 Q66 G67 V71 | Q65-H69 WeakPolarHBondContact O-CB 3.47Å; Q65-H69 PolarHBondContact O-CD2 3.08Å; Q65-H69 PolarHBondContact O-N 2.88Å; Q66-H69 PolarHBondContact O-N 2.9Å; G67-H69 PolarHBondContact O-N 3.04Å; H69-V71 HydrophobicContact CB-CG2 3.9Å; H69-V71 VanDerWaalsContact O-CG2 3.25Å; H69-V71 WeakPolarHBondContact O-CG2 3.28Å; H69-V71 PolarHBondContact O-N 2.93Å |
| 70 | N | 70.7 | Confident | 72.1 | Confident | 161 Ų | 161 | 79.1 Ų | 79.1 | 86% | 0.861 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 34 | -178.9 | -131.7 | 10.2 | 0 | 0 | 0 | 112.8 | Q66 | Q66-N70 PolarHBondContact O-N 3.19Š|
| 71 | V | 66.5 | Low | 71.5 | Confident | 31 Ų | 31 | 81.5 Ų | 81.5 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | trans | -105.6 | 129.6 | -176.7 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | Q66 H69 K75 Y102 | Q66-V71 PolarHBondContact O-N 3.16Å; H69-V71 HydrophobicContact CB-CG2 3.9Å; H69-V71 VanDerWaalsContact O-CG2 3.25Å; H69-V71 WeakPolarHBondContact O-CG2 3.28Å; H69-V71 PolarHBondContact O-N 2.93Å; V71-K75 HydrophobicContact CG1-CB 3.72Å; V71-Y102 VanDerWaalsContact CG2-OH 3.23Å; V71-Y102 WeakPolarHBondContact CG2-OH 3.45Å | ||
| 72 | S | 70.9 | Confident | 70.9 | Confident | 73 Ų | 73 | 81.5 Ų | 81.5 | 51% | 0.51 | 44% | 0.437 | S | S | . | . | trans | -69.3 | 145.7 | 177 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | G74 K75 L76 | S72-G74 PolarHBondContact O-N 2.96Å; S72-G74 VanDerWaalsContact O-N 3.11Å; S72-K75 PolarHBondContact O-N 3.43Å; S72-L76 PolarHBondContact O-N 3.39Å | ||
| 73 | F | 67.7 | Low | 70.6 | Confident | 119 Ų | 119 | 80 Ų | 80 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -50.7 | -39.9 | -179.6 | -173.1 | -88.3 | 0 | 0 | 0 | 113.3 | K75 L76 I77 | F73-K75 PolarHBondContact O-N 3.12Å; F73-L76 PolarHBondContact O-N 2.92Å; F73-L76 VanDerWaalsContact O-N 3.16Å; F73-I77 HydrophobicContact CD1-CG1 3.84Å; F73-I77 HydrophobicContact CE1-CD1 3.82Å; F73-I77 HydrophobicContact CE1-CG1 3.42Å; F73-I77 VanDerWaalsContact CE1-CG1 3.42Å; F73-I77 HydrophobicContact CZ-CD1 3.85Å; F73-I77 HydrophobicContact CZ-CG1 3.91Å; F73-I77 WeakPolarHBondContact O-CG1 3.5Å; F73-I77 PolarHBondContact O-N 3.22Å |
| 74 | G | 68.6 | Low | 70 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 52% | 0.515 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S72 L76 E78 | S72-G74 PolarHBondContact O-N 2.96Å; S72-G74 VanDerWaalsContact O-N 3.11Å; G74-L76 VanDerWaalsContact C-N 3.31Å; G74-L76 PolarHBondContact O-N 3.41Å; G74-E78 WeakPolarHBondContact O-CB 3.38Å; G74-E78 PolarHBondContact O-N 3.4Å |
| 75 | K | 69.9 | Low | 69.6 | Low | 131 Ų | 131 | 82.3 Ų | 82.3 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.2 | -32.3 | 176.5 | -78.5 | -170 | 173.4 | -171 | 0 | 112.3 | V71 S72 F73 E78 C79 | V71-K75 HydrophobicContact CG1-CB 3.72Å; S72-K75 PolarHBondContact O-N 3.43Å; F73-K75 PolarHBondContact O-N 3.12Å; K75-E78 PolarHBondContact O-N 3.06Å; K75-C79 PolarHBondContact O-N 2.93Å |
| 76 | L | 67.6 | Low | 69.4 | Low | 17 Ų | 17 | 79.9 Ų | 79.9 | 9% | 0.089 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.4 | -42.6 | 179.4 | -140 | 153 | 0 | 0 | 0 | 111.3 | I62 Q66 S72 F73 G74 E78 C79 Q80 Y102 | I62-L76 HydrophobicContact CG2-CD2 4.35Å; Q66-L76 HydrophobicContact CG-CD1 3.27Å; S72-L76 PolarHBondContact O-N 3.39Å; F73-L76 PolarHBondContact O-N 2.92Å; F73-L76 VanDerWaalsContact O-N 3.16Å; G74-L76 VanDerWaalsContact C-N 3.31Å; G74-L76 PolarHBondContact O-N 3.41Å; L76-E78 VanDerWaalsContact C-N 3.31Å; L76-E78 PolarHBondContact O-N 3.17Å; L76-C79 PolarHBondContact O-N 3.29Å; L76-Q80 WeakPolarHBondContact O-CB 3.48Å; L76-Q80 PolarHBondContact O-N 3Å; L76-Y102 HydrophobicContact CG-CE2 4.38Å |
| 77 | I | 69.7 | Low | 68.9 | Low | 79 Ų | 79 | 87 Ų | 87 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 170.5 | -67 | -72.4 | 0 | 0 | 0 | 111.1 | F73 Q80 K81 | F73-I77 HydrophobicContact CD1-CG1 3.84Å; F73-I77 HydrophobicContact CE1-CD1 3.82Å; F73-I77 HydrophobicContact CE1-CG1 3.42Å; F73-I77 VanDerWaalsContact CE1-CG1 3.42Å; F73-I77 HydrophobicContact CZ-CD1 3.85Å; F73-I77 HydrophobicContact CZ-CG1 3.91Å; F73-I77 WeakPolarHBondContact O-CG1 3.5Å; F73-I77 PolarHBondContact O-N 3.22Å; I77-Q80 WeakPolarHBondContact O-CB 3.35Å; I77-Q80 PolarHBondContact O-N 2.94Å; I77-K81 WeakPolarHBondContact O-CB 3.34Å; I77-K81 PolarHBondContact O-N 3.41Å |
| 78 | E | 72.2 | Confident | 68.2 | Low | 123 Ų | 123 | 88.7 Ų | 88.7 | 58% | 0.575 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 178.5 | -166.7 | 172.6 | -153 | 0 | 0 | 111.8 | G74 K75 L76 Q80 K81 L82 | G74-E78 WeakPolarHBondContact O-CB 3.38Å; G74-E78 PolarHBondContact O-N 3.4Å; K75-E78 PolarHBondContact O-N 3.06Å; L76-E78 VanDerWaalsContact C-N 3.31Å; L76-E78 PolarHBondContact O-N 3.17Å; E78-Q80 VanDerWaalsContact C-N 3.31Å; E78-Q80 PolarHBondContact O-N 3.31Å; E78-K81 PolarHBondContact O-N 3.47Å; E78-L82 HydrophobicContact CG-CD1 4.49Å; E78-L82 WeakPolarHBondContact O-CB 3.5Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 3.39Å |
| 79 | C | 69.6 | Low | 67.1 | Low | 20 Ų | 20 | 82.4 Ų | 82.4 | 14% | 0.135 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 172.9 | -100.5 | 0 | 0 | 0 | 0 | 111.6 | K75 L76 Y83 C106 | K75-C79 PolarHBondContact O-N 2.93Å; L76-C79 PolarHBondContact O-N 3.29Å; C79-Y83 WeakPolarHBondContact O-CB 3.42Å; C79-Y83 PolarHBondContact O-N 3Å; C79-C106 WeakPolarHBondContact CB-SG 3.37Å; C79-C106 WeakPolarHBondContact SG-CB 3.36Å; C79-C106 CovalentContact SG-SG 2.07Å; C79-C106 PolarHBondContact SG-SG 3.29Å |
| 80 | Q | 68.3 | Low | 66.2 | Low | 49 Ų | 49 | 83.7 Ų | 83.7 | 23% | 0.229 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 172 | -121.3 | -178.4 | -15.9 | 0 | 0 | 112.4 | L76 I77 E78 Y83 Y84 F98 | L76-Q80 WeakPolarHBondContact O-CB 3.48Å; L76-Q80 PolarHBondContact O-N 3Å; I77-Q80 WeakPolarHBondContact O-CB 3.35Å; I77-Q80 PolarHBondContact O-N 2.94Å; E78-Q80 VanDerWaalsContact C-N 3.31Å; E78-Q80 PolarHBondContact O-N 3.31Å; Q80-Y83 WeakPolarHBondContact O-CB 3.46Å; Q80-Y83 PolarHBondContact O-N 2.93Å; Q80-Y84 HydrophobicContact CG-CE2 4.21Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.26Å; Q80-Y84 PolarHBondContact O-N 3.43Å; Q80-F98 HydrophobicContact CB-CZ 4.16Å; Q80-F98 HydrophobicContact CG-CE1 3.71Å; Q80-F98 HydrophobicContact CG-CE2 3.79Å; Q80-F98 HydrophobicContact CG-CZ 3.12Å |
| 81 | K | 69.8 | Low | 65.2 | Low | 127 Ų | 127 | 81.5 Ų | 81.5 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.7 | -47.3 | 179.8 | -166.4 | 178.7 | 178.3 | -171.6 | 0 | 111.2 | I77 E78 Y83 Y84 E85 | I77-K81 WeakPolarHBondContact O-CB 3.34Å; I77-K81 PolarHBondContact O-N 3.41Å; E78-K81 PolarHBondContact O-N 3.47Å; K81-Y83 VanDerWaalsContact C-N 3.26Å; K81-Y83 PolarHBondContact O-N 2.93Å; K81-Y84 PolarHBondContact O-N 3.23Å; K81-E85 WeakPolarHBondContact CE-OE1 3.31Å; K81-E85 WeakPolarHBondContact O-CB 3.28Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 3.03Å |
| 82 | L | 71.7 | Confident | 64.2 | Low | 95 Ų | 95 | 82.1 Ų | 82.1 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59 | -37.9 | 174.7 | -73.2 | 170.1 | 0 | 0 | 0 | 112 | E78 S86 | E78-L82 HydrophobicContact CG-CD1 4.49Å; E78-L82 WeakPolarHBondContact O-CB 3.5Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 3.39Å; L82-S86 WeakPolarHBondContact O-CB 3.33Å; L82-S86 PolarHBondContact O-N 3.21Å; L82-S86 VanDerWaalsContact O-N 3.07Å |
| 83 | Y | 67.7 | Low | 62.8 | Low | 11 Ų | 11 | 86.4 Ų | 86.4 | 4% | 0.043 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65 | -48.6 | 175 | 179 | -100.3 | 0 | 0 | 0 | 111.9 | C79 Q80 K81 E85 S86 Q88 G89 F98 F105 | C79-Y83 WeakPolarHBondContact O-CB 3.42Å; C79-Y83 PolarHBondContact O-N 3Å; Q80-Y83 WeakPolarHBondContact O-CB 3.46Å; Q80-Y83 PolarHBondContact O-N 2.93Å; K81-Y83 VanDerWaalsContact C-N 3.26Å; K81-Y83 PolarHBondContact O-N 2.93Å; Y83-E85 VanDerWaalsContact C-N 3.31Å; Y83-E85 PolarHBondContact O-N 3.45Å; Y83-S86 WeakPolarHBondContact O-CB 3.47Å; Y83-S86 PolarHBondContact O-N 3.5Å; Y83-S86 VanDerWaalsContact O-N 3.12Å; Y83-S86 PolarHBondContact O-OG 3.02Å; Y83-Q88 HydrophobicContact CE2-CB 4.47Å; Y83-G89 VanDerWaalsContact O-CA 3.25Å; Y83-G89 WeakPolarHBondContact O-CA 3.31Å; Y83-G89 PolarHBondContact O-N 3.28Å; Y83-F98 HydrophobicContact CD1-CD2 4.31Å; Y83-F98 AromaticContact CD1-CE2 3.52Å; Y83-F98 HydrophobicContact CD1-CE2 3.52Å; Y83-F98 HydrophobicContact CD1-CZ 4.12Å; Y83-F98 HydrophobicContact CE1-CD2 4.23Å; Y83-F98 AromaticContact CE1-CE2 3.89Å; Y83-F98 HydrophobicContact CE1-CE2 3.89Å; Y83-F98 HydrophobicContact CG-CE2 4.21Å; Y83-F98 HydrophobicContact CG-CZ 4.4Å; Y83-F105 HydrophobicContact CD2-CD2 4.42Å; Y83-F105 HydrophobicContact CD2-CE2 4.28Å |
| 84 | Y | 65.7 | Low | 61.6 | Low | 113 Ų | 113 | 85.4 Ų | 85.4 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -33.1 | 177.9 | -79.9 | -65.2 | 0 | 0 | 0 | 113.5 | Q80 K81 S86 | Q80-Y84 HydrophobicContact CG-CE2 4.21Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.26Å; Q80-Y84 PolarHBondContact O-N 3.43Å; K81-Y84 PolarHBondContact O-N 3.23Å; Y84-S86 VanDerWaalsContact C-N 3.3Å |
| 85 | E | 70.1 | Confident | 60.3 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -78.4 | -13.6 | 175.8 | -70.1 | 174.7 | 177.9 | 0 | 0 | 112.9 | K81 Y83 | K81-E85 WeakPolarHBondContact CE-OE1 3.31Å; K81-E85 WeakPolarHBondContact O-CB 3.28Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 3.03Å; Y83-E85 VanDerWaalsContact C-N 3.31Å; Y83-E85 PolarHBondContact O-N 3.45Å |
| 86 | S | 67.5 | Low | 59.3 | Low | 24 Ų | 24 | 88.2 Ų | 88.2 | 17% | 0.168 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -76.8 | 153.7 | 173 | 82.2 | 0 | 0 | 0 | 0 | 111.8 | L82 Y83 Y84 Q88 G89 I90 | L82-S86 WeakPolarHBondContact O-CB 3.33Å; L82-S86 PolarHBondContact O-N 3.21Å; L82-S86 VanDerWaalsContact O-N 3.07Å; Y83-S86 WeakPolarHBondContact O-CB 3.47Å; Y83-S86 PolarHBondContact O-N 3.5Å; Y83-S86 VanDerWaalsContact O-N 3.12Å; Y83-S86 PolarHBondContact O-OG 3.02Å; Y84-S86 VanDerWaalsContact C-N 3.3Å; S86-Q88 PolarHBondContact O-N 3.05Å; S86-Q88 PolarHBondContact OG-N 3.35Å; S86-G89 PolarHBondContact O-N 3.33Å; S86-G89 PolarHBondContact OG-N 3.43Å; S86-I90 PolarHBondContact O-N 3.33Å |
| 87 | E | 58.1 | Low | 58.4 | Low | 176 Ų | 176 | 92.4 Ų | 92.4 | 82% | 0.822 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.9 | 175.1 | -71.6 | -173.2 | 156.3 | 0 | 0 | 112.9 | T91 | E87-T91 PolarHBondContact O-OG1 3.42Š|
| 88 | Q | 56.9 | Low | 57.4 | Low | 93 Ų | 93 | 91.9 Ų | 91.9 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -36.6 | 177.8 | -67.6 | -177.8 | -0.2 | 0 | 0 | 112.6 | Y83 S86 T91 L92 | Y83-Q88 HydrophobicContact CE2-CB 4.47Å; S86-Q88 PolarHBondContact O-N 3.05Å; S86-Q88 PolarHBondContact OG-N 3.35Å; Q88-T91 PolarHBondContact O-N 3.13Å; Q88-L92 WeakPolarHBondContact O-CB 3.35Å |
| 89 | G | 51.3 | Low | 56.5 | Low | 3 Ų | 3 | 92 Ų | 92 | 3% | 0.031 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -71 | -32.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y83 S86 T91 L92 | Y83-G89 VanDerWaalsContact O-CA 3.25Å; Y83-G89 WeakPolarHBondContact O-CA 3.31Å; Y83-G89 PolarHBondContact O-N 3.28Å; S86-G89 PolarHBondContact O-N 3.33Å; S86-G89 PolarHBondContact OG-N 3.43Å; G89-T91 PolarHBondContact O-N 3Å; G89-L92 PolarHBondContact O-N 3.25Å |
| 90 | I | 50 | Low | 55.6 | Low | 135 Ų | 135 | 99.2 Ų | 99.2 | 69% | 0.692 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -61.4 | -27 | 176.1 | -64.7 | 173.5 | 0 | 0 | 0 | 111.7 | S86 | S86-I90 PolarHBondContact O-N 3.33Š|
| 91 | T | 49.1 | Very low | 54.7 | Low | 115 Ų | 115 | 97.8 Ų | 97.8 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -90.2 | -7.6 | -176 | -41.2 | 0 | 0 | 0 | 0 | 112.6 | E87 Q88 G89 | E87-T91 PolarHBondContact O-OG1 3.42Å; Q88-T91 PolarHBondContact O-N 3.13Å; G89-T91 PolarHBondContact O-N 3Å |
| 92 | L | 46.7 | Very low | 53.7 | Low | 44 Ų | 44 | 94.2 Ų | 94.2 | 23% | 0.23 | 49% | 0.489 | C | S | . | . | trans | -126.7 | 44.8 | -154.7 | -110.7 | 137.7 | 0 | 0 | 0 | 115.4 | Q88 G89 T94 F97 | Q88-L92 WeakPolarHBondContact O-CB 3.35Å; G89-L92 PolarHBondContact O-N 3.25Å; L92-T94 PolarHBondContact O-N 3.44Å; L92-F97 HydrophobicContact CD2-CB 3.2Å; L92-F97 HydrophobicContact CD2-CD2 3.95Å; L92-F97 HydrophobicContact CD2-CG 3.71Å | ||
| 93 | L | 41.1 | Very low | 52.8 | Low | 163 Ų | 163 | 96 Ų | 96 | 85% | 0.853 | 50% | 0.504 | S | S | * | . | trans | -71.4 | 44.7 | 159.7 | -94.4 | 162.6 | 0 | 0 | 0 | 112.3 | ||||
| 94 | T | 42.9 | Very low | 52 | Low | 98 Ų | 98 | 103.6 Ų | 103.6 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -132.6 | 110.1 | 167.2 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | L92 I96 | L92-T94 PolarHBondContact O-N 3.44Å; T94-I96 PolarHBondContact O-N 3.36Å |
| 95 | G | 40.2 | Very low | 51.1 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 89% | 0.887 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 21.5 | -160.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 96 | I | 48.1 | Very low | 49.9 | Very low | 154 Ų | 154 | 102 Ų | 102 | 79% | 0.79 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -14.3 | -173.5 | -65.7 | 175.7 | 0 | 0 | 0 | 113.1 | T94 | T94-I96 PolarHBondContact O-N 3.36Š|
| 97 | F | 48.9 | Very low | 49 | Very low | 106 Ų | 106 | 105.9 Ų | 105.9 | 47% | 0.465 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -97.5 | -8.2 | -169.6 | -112.6 | -87.8 | 0 | 0 | 0 | 116.3 | L92 I99 K100 | L92-F97 HydrophobicContact CD2-CB 3.2Å; L92-F97 HydrophobicContact CD2-CD2 3.95Å; L92-F97 HydrophobicContact CD2-CG 3.71Å; F97-I99 VanDerWaalsContact C-N 3.25Å; F97-I99 PolarHBondContact O-N 3.05Å; F97-K100 PolarHBondContact O-N 3.44Å |
| 98 | F | 48.9 | Very low | 48.5 | Very low | 68 Ų | 68 | 102.2 Ų | 102.2 | 30% | 0.298 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | -174.2 | -137.3 | -87.4 | 0 | 0 | 0 | 112.9 | Q80 Y83 K100 | Q80-F98 HydrophobicContact CB-CZ 4.16Å; Q80-F98 HydrophobicContact CG-CE1 3.71Å; Q80-F98 HydrophobicContact CG-CE2 3.79Å; Q80-F98 HydrophobicContact CG-CZ 3.12Å; Y83-F98 HydrophobicContact CD1-CD2 4.31Å; Y83-F98 AromaticContact CD1-CE2 3.52Å; Y83-F98 HydrophobicContact CD1-CE2 3.52Å; Y83-F98 HydrophobicContact CD1-CZ 4.12Å; Y83-F98 HydrophobicContact CE1-CD2 4.23Å; Y83-F98 AromaticContact CE1-CE2 3.89Å; Y83-F98 HydrophobicContact CE1-CE2 3.89Å; Y83-F98 HydrophobicContact CG-CE2 4.21Å; Y83-F98 HydrophobicContact CG-CZ 4.4Å; F98-K100 PolarHBondContact O-N 3.34Å |
| 99 | I | 53.3 | Low | 48.1 | Very low | 124 Ų | 124 | 102.7 Ų | 102.7 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.2 | -31.3 | -176.6 | -61.8 | 175 | 0 | 0 | 0 | 112.5 | F97 | F97-I99 VanDerWaalsContact C-N 3.25Å; F97-I99 PolarHBondContact O-N 3.05Å |
| 100 | K | 50.7 | Low | 47.9 | Very low | 173 Ų | 173 | 108.6 Ų | 108.6 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.8 | -24.2 | -176.9 | -80.5 | -175.2 | 176.9 | 177.8 | 0 | 113.8 | F97 F98 | F97-K100 PolarHBondContact O-N 3.44Å; F98-K100 PolarHBondContact O-N 3.34Å |
| 101 | S | 49.9 | Very low | 47.7 | Very low | 18 Ų | 18 | 106.9 Ų | 106.9 | 13% | 0.126 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -91.5 | -14.3 | -174.6 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | V103 K104 F105 | S101-V103 VanDerWaalsContact C-N 3.29Å; S101-V103 PolarHBondContact O-N 3.12Å; S101-K104 PolarHBondContact O-N 3.04Å; S101-F105 PolarHBondContact O-N 3.49Å |
| 102 | Y | 47.9 | Very low | 47.7 | Very low | 52 Ų | 52 | 106.4 Ų | 106.4 | 20% | 0.204 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -57 | -39.2 | -178.1 | -167.1 | -100.3 | 0 | 0 | 0 | 113.2 | V71 L76 K104 C106 | V71-Y102 VanDerWaalsContact CG2-OH 3.23Å; V71-Y102 WeakPolarHBondContact CG2-OH 3.45Å; L76-Y102 HydrophobicContact CG-CE2 4.38Å; Y102-K104 PolarHBondContact O-N 2.99Å; Y102-C106 PolarHBondContact O-N 3.15Å |
| 103 | V | 53.5 | Low | 47.7 | Very low | 134 Ų | 134 | 110.9 Ų | 110.9 | 81% | 0.812 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.7 | -18.7 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 113 | S101 | S101-V103 VanDerWaalsContact C-N 3.29Å; S101-V103 PolarHBondContact O-N 3.12Å |
| 104 | K | 51.5 | Low | 48.2 | Very low | 170 Ų | 170 | 106.8 Ų | 106.8 | 74% | 0.739 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -95.3 | -18.2 | -174.3 | -151.1 | 178.6 | -176.8 | -177.5 | 0 | 113.4 | S101 Y102 | S101-K104 PolarHBondContact O-N 3.04Å; Y102-K104 PolarHBondContact O-N 2.99Å |
| 105 | F | 46.3 | Very low | 48.7 | Very low | 89 Ų | 89 | 107.6 Ų | 107.6 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -116.7 | -9.9 | -171.9 | -80.9 | -81.2 | 0 | 0 | 0 | 115 | Y83 S101 | Y83-F105 HydrophobicContact CD2-CD2 4.42Å; Y83-F105 HydrophobicContact CD2-CE2 4.28Å; S101-F105 PolarHBondContact O-N 3.49Å |
| 106 | C | 45 | Very low | 49.4 | Very low | 117 Ų | 117 | 109.5 Ų | 109.5 | 79% | 0.791 | 55% | 0.546 | S | S | * | . | trans | -126.7 | 0 | -168.6 | -125 | 0 | 0 | 0 | 0 | 114.1 | C79 Y102 | C79-C106 WeakPolarHBondContact CB-SG 3.37Å; C79-C106 WeakPolarHBondContact SG-CB 3.36Å; C79-C106 CovalentContact SG-SG 2.07Å; C79-C106 PolarHBondContact SG-SG 3.29Å; Y102-C106 PolarHBondContact O-N 3.15Å |
Retrieved 106 of 106 residues in 33.6 ms
(Link to these results)