| 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 | 45.2 | Very low | 49.5 | Very low | 228 Ų | 228 | 136.1 Ų | 136.1 | 100% | 1.123 | 84% | 0.837 | S | S | * | * | 0 | 87.2 | 0 | -82.6 | 152.4 | 80.5 | 0 | 0 | 107.3 | |||||
| 2 | D | 40.9 | Very low | 50.2 | Low | 163 Ų | 163 | 131.7 Ų | 131.7 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | trans | 27.8 | 126.1 | 136.1 | -35 | -64.9 | 0 | 0 | 0 | 116.6 | ||||
| 3 | G | 47.1 | Very low | 49.5 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 84% | 0.836 | S | S | * | * | cis | 144.2 | 104.6 | 17.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 4 | F | 47.6 | Very low | 49.7 | Very low | 222 Ų | 222 | 126.6 Ų | 126.6 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | trans | -133.5 | 89.1 | 168.7 | -78.3 | -77.8 | 0 | 0 | 0 | 108.2 | ||||
| 5 | G | 54.9 | Low | 49.9 | Very low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -138.2 | 120.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | S | 48.4 | Very low | 50.5 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | 177.9 | 110.2 | 130.5 | 31.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | D | 65 | Low | 51 | Low | 167 Ų | 167 | 126.5 Ų | 126.5 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -51.2 | 135.4 | 149 | -61.5 | -77.7 | 0 | 0 | 0 | 110.3 | ||||
| 8 | F | 49.1 | Very low | 51.8 | Low | 185 Ų | 185 | 125.4 Ų | 125.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -142 | 112.5 | 147.1 | 67.3 | -87.4 | 0 | 0 | 0 | 111.2 | ||||
| 9 | S | 46.5 | Very low | 52.5 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 47.1 | 117.2 | 138.5 | -66.4 | 0 | 0 | 0 | 0 | 120.7 | G11 | S9-G11 PolarHBondContact O-N 2.92Š| ||
| 10 | A | 58.5 | Low | 53.3 | Low | 110 Ų | 110 | 120.7 Ų | 120.7 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -19 | 123.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 11 | G | 41.8 | Very low | 54.1 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | -162.2 | 88.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | S9 S13 | S9-G11 PolarHBondContact O-N 2.92Å; G11-S13 PolarHBondContact O-N 3.35Å | ||
| 12 | G | 57.1 | Low | 55.3 | Low | 83 Ų | 83 | 111.6 Ų | 111.6 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | -53.9 | 126.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | S | 41.7 | Very low | 56.6 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -141.9 | 110.8 | 158.2 | -97.2 | 0 | 0 | 0 | 0 | 106.4 | G11 G15 | G11-S13 PolarHBondContact O-N 3.35Å; S13-G15 PolarHBondContact O-N 3.24Å | ||
| 14 | G | 51.7 | Low | 57.9 | Low | 77 Ų | 77 | 111.2 Ų | 111.2 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -50.1 | 113.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K16 | G14-K16 PolarHBondContact O-N 3.43Š| ||
| 15 | G | 52.7 | Low | 58.6 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -55.2 | 109.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106 | S13 I17 | S13-G15 PolarHBondContact O-N 3.24Å; G15-I17 VanDerWaalsContact C-N 3.27Å; G15-I17 PolarHBondContact O-N 3.48Å | ||
| 16 | K | 59.1 | Low | 59.5 | Low | 186 Ų | 186 | 106.3 Ų | 106.3 | 81% | 0.809 | 67% | 0.673 | S | S | * | * | trans | -54.9 | 107.3 | 161.1 | -77.2 | 171.9 | 177.2 | 156.1 | 0 | 104.1 | G14 D18 | G14-K16 PolarHBondContact O-N 3.43Å; K16-D18 PolarHBondContact O-N 3.43Å | ||
| 17 | I | 60 | Low | 60.5 | Low | 125 Ų | 125 | 106.5 Ų | 106.5 | 64% | 0.641 | 66% | 0.66 | S | S | * | * | trans | -54.6 | 101.4 | 166.7 | -68.9 | -178.5 | 0 | 0 | 0 | 104 | G15 T19 I22 | G15-I17 VanDerWaalsContact C-N 3.27Å; G15-I17 PolarHBondContact O-N 3.48Å; I17-T19 HydrophobicContact CG2-CG2 4.27Å; I17-T19 PolarHBondContact O-N 3.22Å; I17-I22 HydrophobicContact CB-CD1 4.45Å; I17-I22 HydrophobicContact CG2-CD1 3.22Å | ||
| 18 | D | 64.4 | Low | 61.2 | Low | 107 Ų | 107 | 102.4 Ų | 102.4 | 57% | 0.572 | 64% | 0.641 | S | S | * | * | trans | -66.8 | 84.3 | 176.4 | -80.7 | -52.1 | 0 | 0 | 0 | 106.7 | K16 G20 T21 I22 | K16-D18 PolarHBondContact O-N 3.43Å; D18-G20 PolarHBondContact O-N 3.44Å; D18-T21 HydrophobicContact CB-CG2 4.11Å; D18-T21 VanDerWaalsContact CB-OG1 3.3Å; D18-T21 WeakPolarHBondContact CB-OG1 3.38Å; D18-T21 PolarHBondContact O-N 2.98Å; D18-T21 PolarHBondContact O-OG1 2.98Å; D18-I22 PolarHBondContact O-N 3.25Å; D18-I22 VanDerWaalsContact O-N 3.1Å | ||
| 19 | T | 66.5 | Low | 62 | Low | 103 Ų | 103 | 99.9 Ų | 99.9 | 63% | 0.632 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54.8 | -26.1 | -177.8 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | I17 M23 | I17-T19 HydrophobicContact CG2-CG2 4.27Å; I17-T19 PolarHBondContact O-N 3.22Å; T19-M23 WeakPolarHBondContact O-CB 3.32Å; T19-M23 VanDerWaalsContact O-CG 3.31Å; T19-M23 WeakPolarHBondContact O-CG 3.34Å; T19-M23 PolarHBondContact O-N 2.87Å |
| 20 | G | 67 | Low | 63.3 | Low | 53 Ų | 53 | 99 Ų | 99 | 55% | 0.546 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.6 | -44.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D18 E24 | D18-G20 PolarHBondContact O-N 3.44Å; G20-E24 PolarHBondContact O-N 3.09Å; G20-E24 VanDerWaalsContact O-N 3.13Å |
| 21 | T | 70.4 | Confident | 64.2 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.9 | -34.4 | 178.4 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | D18 E24 Q25 | D18-T21 HydrophobicContact CB-CG2 4.11Å; D18-T21 VanDerWaalsContact CB-OG1 3.3Å; D18-T21 WeakPolarHBondContact CB-OG1 3.38Å; D18-T21 PolarHBondContact O-N 2.98Å; D18-T21 PolarHBondContact O-OG1 2.98Å; T21-E24 PolarHBondContact O-N 3.04Å; T21-Q25 WeakPolarHBondContact O-CG 3.36Å; T21-Q25 PolarHBondContact O-N 2.97Å |
| 22 | I | 71.2 | Confident | 66.2 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.3 | -43.9 | 174.5 | -67.6 | 168.5 | 0 | 0 | 0 | 111.3 | I17 D18 E24 Q25 V26 | I17-I22 HydrophobicContact CB-CD1 4.45Å; I17-I22 HydrophobicContact CG2-CD1 3.22Å; D18-I22 PolarHBondContact O-N 3.25Å; D18-I22 VanDerWaalsContact O-N 3.1Å; I22-E24 PolarHBondContact O-N 3.46Å; I22-Q25 PolarHBondContact O-N 3.37Å; I22-V26 HydrophobicContact CG2-CG2 4.14Å; I22-V26 WeakPolarHBondContact O-CB 3.46Å; I22-V26 WeakPolarHBondContact O-CG2 3.46Å; I22-V26 PolarHBondContact O-N 3.34Å |
| 23 | M | 66.9 | Low | 67.5 | Low | 118 Ų | 118 | 95.2 Ų | 95.2 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.1 | -39.8 | 174.3 | -90.4 | -96.6 | -96.5 | 0 | 0 | 111.7 | T19 V26 K27 | T19-M23 WeakPolarHBondContact O-CB 3.32Å; T19-M23 VanDerWaalsContact O-CG 3.31Å; T19-M23 WeakPolarHBondContact O-CG 3.34Å; T19-M23 PolarHBondContact O-N 2.87Å; M23-V26 PolarHBondContact O-N 3.33Å; M23-K27 VanDerWaalsContact O-CG 3.25Å; M23-K27 WeakPolarHBondContact O-CG 3.37Å; M23-K27 PolarHBondContact O-N 3.48Å |
| 24 | E | 74.4 | Confident | 69.5 | Low | 102 Ų | 102 | 94.2 Ų | 94.2 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 178.3 | -165.1 | 58.9 | -159.7 | 0 | 0 | 112 | G20 T21 I22 V26 K27 V28 | G20-E24 PolarHBondContact O-N 3.09Å; G20-E24 VanDerWaalsContact O-N 3.13Å; T21-E24 PolarHBondContact O-N 3.04Å; I22-E24 PolarHBondContact O-N 3.46Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.94Å; E24-K27 PolarHBondContact O-N 2.81Å; E24-K27 IonicContact OE2-NZ 3.24Å; E24-K27 PolarHBondContact OE2-NZ 3.02Å; E24-V28 WeakPolarHBondContact O-CG2 3.47Å; E24-V28 PolarHBondContact O-N 3.11Å |
| 25 | Q | 63.9 | Low | 71.1 | Confident | 124 Ų | 124 | 92.8 Ų | 92.8 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 173.6 | -73.4 | -177.8 | 1 | 0 | 0 | 112.2 | T21 I22 V28 Q29 | T21-Q25 WeakPolarHBondContact O-CG 3.36Å; T21-Q25 PolarHBondContact O-N 2.97Å; I22-Q25 PolarHBondContact O-N 3.37Å; Q25-V28 PolarHBondContact O-N 3.33Å; Q25-Q29 WeakPolarHBondContact O-CG 3.33Å; Q25-Q29 PolarHBondContact O-N 2.94Å |
| 26 | V | 72.8 | Confident | 72.9 | Confident | 63 Ų | 63 | 95.3 Ų | 95.3 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 111 | I22 M23 E24 V28 Q29 I30 | I22-V26 HydrophobicContact CG2-CG2 4.14Å; I22-V26 WeakPolarHBondContact O-CB 3.46Å; I22-V26 WeakPolarHBondContact O-CG2 3.46Å; I22-V26 PolarHBondContact O-N 3.34Å; M23-V26 PolarHBondContact O-N 3.33Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.94Å; V26-V28 PolarHBondContact O-N 3.44Å; V26-Q29 PolarHBondContact O-N 3.21Å; V26-I30 HydrophobicContact CG1-CD1 3.65Å; V26-I30 HydrophobicContact CG1-CG1 4.3Å; V26-I30 WeakPolarHBondContact O-CB 3.16Å; V26-I30 WeakPolarHBondContact O-CG1 3.43Å; V26-I30 PolarHBondContact O-N 3.06Å |
| 27 | K | 70.8 | Confident | 74.5 | Confident | 112 Ų | 112 | 90.8 Ų | 90.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.2 | -74.7 | 170.9 | -166 | 166.3 | 0 | 112.3 | M23 E24 I30 A31 | M23-K27 VanDerWaalsContact O-CG 3.25Å; M23-K27 WeakPolarHBondContact O-CG 3.37Å; M23-K27 PolarHBondContact O-N 3.48Å; E24-K27 PolarHBondContact O-N 2.81Å; E24-K27 IonicContact OE2-NZ 3.24Å; E24-K27 PolarHBondContact OE2-NZ 3.02Å; K27-I30 PolarHBondContact O-N 2.79Å; K27-A31 WeakPolarHBondContact O-CB 3.2Å; K27-A31 PolarHBondContact O-N 3.36Å |
| 28 | V | 78.3 | Confident | 76 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | E24 Q25 V26 I30 A31 V32 | E24-V28 WeakPolarHBondContact O-CG2 3.47Å; E24-V28 PolarHBondContact O-N 3.11Å; Q25-V28 PolarHBondContact O-N 3.33Å; V26-V28 PolarHBondContact O-N 3.44Å; V28-I30 VanDerWaalsContact C-N 3.34Å; V28-I30 PolarHBondContact O-N 3.46Å; V28-A31 WeakPolarHBondContact O-CB 3.36Å; V28-A31 PolarHBondContact O-N 3.39Å; V28-V32 HydrophobicContact CG1-CG2 4.47Å; V28-V32 WeakPolarHBondContact O-CG2 3.44Å; V28-V32 PolarHBondContact O-N 3.43Å |
| 29 | Q | 66.8 | Low | 77.4 | Confident | 132 Ų | 132 | 85.9 Ų | 85.9 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 177 | -73.7 | 178.5 | 4.1 | 0 | 0 | 112.4 | Q25 V26 V32 A33 | Q25-Q29 WeakPolarHBondContact O-CG 3.33Å; Q25-Q29 PolarHBondContact O-N 2.94Å; V26-Q29 PolarHBondContact O-N 3.21Å; Q29-V32 PolarHBondContact O-N 2.82Å; Q29-A33 WeakPolarHBondContact O-CB 3.36Å; Q29-A33 PolarHBondContact O-N 2.82Å |
| 30 | I | 74.4 | Confident | 78.8 | Confident | 91 Ų | 91 | 87.1 Ų | 87.1 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.4 | -70.4 | 166.8 | 0 | 0 | 0 | 110.5 | V26 K27 V28 V32 A33 N34 | V26-I30 HydrophobicContact CG1-CD1 3.65Å; V26-I30 HydrophobicContact CG1-CG1 4.3Å; V26-I30 WeakPolarHBondContact O-CB 3.16Å; V26-I30 WeakPolarHBondContact O-CG1 3.43Å; V26-I30 PolarHBondContact O-N 3.06Å; K27-I30 PolarHBondContact O-N 2.79Å; V28-I30 VanDerWaalsContact C-N 3.34Å; V28-I30 PolarHBondContact O-N 3.46Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 PolarHBondContact O-N 3.48Å; I30-A33 PolarHBondContact O-N 3.33Å; I30-N34 VanDerWaalsContact CG2-ND2 3.3Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.4Å; I30-N34 WeakPolarHBondContact O-CB 3.49Å; I30-N34 PolarHBondContact O-N 2.95Å; I30-N34 PolarHBondContact O-ND2 3.01Å |
| 31 | A | 76.4 | Confident | 80.1 | Confident | 59 Ų | 59 | 91.4 Ų | 91.4 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K27 V28 N34 A35 | K27-A31 WeakPolarHBondContact O-CB 3.2Å; K27-A31 PolarHBondContact O-N 3.36Å; V28-A31 WeakPolarHBondContact O-CB 3.36Å; V28-A31 PolarHBondContact O-N 3.39Å; A31-N34 PolarHBondContact O-N 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.33Å; A31-A35 PolarHBondContact O-N 3.02Å |
| 32 | V | 84.2 | Confident | 81.3 | Confident | 75 Ų | 75 | 88.3 Ų | 88.3 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | V28 Q29 I30 N34 A35 Q36 | V28-V32 HydrophobicContact CG1-CG2 4.47Å; V28-V32 WeakPolarHBondContact O-CG2 3.44Å; V28-V32 PolarHBondContact O-N 3.43Å; Q29-V32 PolarHBondContact O-N 2.82Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 PolarHBondContact O-N 3.48Å; V32-N34 PolarHBondContact O-N 3.38Å; V32-A35 PolarHBondContact O-N 2.73Å; V32-Q36 WeakPolarHBondContact O-CG 3.26Å; V32-Q36 PolarHBondContact O-N 2.85Å |
| 33 | A | 83.9 | Confident | 82.5 | Confident | 51 Ų | 51 | 87.9 Ų | 87.9 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q29 I30 A35 Q36 E37 | Q29-A33 WeakPolarHBondContact O-CB 3.36Å; Q29-A33 PolarHBondContact O-N 2.82Å; I30-A33 PolarHBondContact O-N 3.33Å; A33-A35 PolarHBondContact O-N 2.88Å; A33-Q36 PolarHBondContact O-N 3.49Å; A33-E37 PolarHBondContact O-N 3.39Å |
| 34 | N | 84.4 | Confident | 84 | Confident | 94 Ų | 94 | 86 Ų | 86 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.6 | -77.4 | -63 | 0 | 0 | 0 | 112.3 | I30 A31 V32 E37 L38 | I30-N34 VanDerWaalsContact CG2-ND2 3.3Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.4Å; I30-N34 WeakPolarHBondContact O-CB 3.49Å; I30-N34 PolarHBondContact O-N 2.95Å; I30-N34 PolarHBondContact O-ND2 3.01Å; A31-N34 PolarHBondContact O-N 3.26Å; V32-N34 PolarHBondContact O-N 3.38Å; N34-E37 PolarHBondContact O-N 3.34Å; N34-L38 WeakPolarHBondContact O-CB 3.46Å; N34-L38 PolarHBondContact O-N 3.22Å |
| 35 | A | 85.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A31 V32 A33 L38 L39 | A31-A35 WeakPolarHBondContact O-CB 3.33Å; A31-A35 PolarHBondContact O-N 3.02Å; V32-A35 PolarHBondContact O-N 2.73Å; A33-A35 PolarHBondContact O-N 2.88Å; A35-L38 WeakPolarHBondContact O-CB 3.27Å; A35-L38 PolarHBondContact O-N 3.26Å; A35-L39 VanDerWaalsContact O-CG 3.31Å; A35-L39 WeakPolarHBondContact O-CG 3.35Å; A35-L39 PolarHBondContact O-N 3.48Å |
| 36 | Q | 90 | Very high | 86.7 | Confident | 121 Ų | 121 | 81.3 Ų | 81.3 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 174.3 | -74.4 | 175.7 | -15.7 | 0 | 0 | 111.5 | V32 A33 L38 L39 Q40 | V32-Q36 WeakPolarHBondContact O-CG 3.26Å; V32-Q36 PolarHBondContact O-N 2.85Å; A33-Q36 PolarHBondContact O-N 3.49Å; Q36-L38 VanDerWaalsContact C-N 3.32Å; Q36-L38 PolarHBondContact O-N 3.04Å; Q36-L39 PolarHBondContact O-N 3.01Å; Q36-Q40 WeakPolarHBondContact O-CB 3.24Å; Q36-Q40 PolarHBondContact O-N 2.86Å |
| 37 | E | 92.9 | Very high | 87.8 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.7 | -175 | 174.7 | 175.4 | 0 | 0 | 111.8 | A33 N34 L39 Q40 R41 | A33-E37 PolarHBondContact O-N 3.39Å; N34-E37 PolarHBondContact O-N 3.34Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 3.07Å; E37-Q40 PolarHBondContact O-N 3.4Å; E37-R41 HydrophobicContact CG-CG 4.39Å; E37-R41 WeakPolarHBondContact O-CB 3.37Å; E37-R41 WeakPolarHBondContact O-CG 3.49Å; E37-R41 PolarHBondContact O-N 3.24Å; E37-R41 IonicContact OE1-CZ 3.24Å; E37-R41 VanDerWaalsContact OE1-CZ 3.24Å; E37-R41 IonicContact OE1-NE 2.88Å; E37-R41 PolarHBondContact OE1-NE 3.33Å; E37-R41 IonicContact OE1-NH2 2.73Å; E37-R41 PolarHBondContact OE1-NH2 2.88Å |
| 38 | L | 91.3 | Very high | 89 | Confident | 31 Ų | 31 | 86 Ų | 86 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.5 | 179.3 | 63.9 | 0 | 0 | 0 | 111.3 | N34 A35 Q36 R41 M42 Y73 M74 W77 | N34-L38 WeakPolarHBondContact O-CB 3.46Å; N34-L38 PolarHBondContact O-N 3.22Å; A35-L38 WeakPolarHBondContact O-CB 3.27Å; A35-L38 PolarHBondContact O-N 3.26Å; Q36-L38 VanDerWaalsContact C-N 3.32Å; Q36-L38 PolarHBondContact O-N 3.04Å; L38-R41 PolarHBondContact O-N 3.42Å; L38-M42 VanDerWaalsContact O-CB 3.31Å; L38-M42 WeakPolarHBondContact O-CB 3.37Å; L38-M42 PolarHBondContact O-N 3.19Å; L38-Y73 HydrophobicContact CD1-CE1 3.67Å; L38-M74 HydrophobicContact CD2-SD 4.36Å; L38-W77 VanDerWaalsContact CD1-CD1 3.46Å; L38-W77 HydrophobicContact CD1-CD2 4.21Å; L38-W77 HydrophobicContact CD1-CG 3.9Å; L38-W77 HydrophobicContact CD2-CD2 4.19Å; L38-W77 HydrophobicContact CD2-CH2 4.49Å; L38-W77 HydrophobicContact CD2-CZ2 4.15Å |
| 39 | L | 93.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 90 Ų | 90 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178 | -70.5 | 173.3 | 0 | 0 | 0 | 111.6 | A35 Q36 E37 M42 T43 | A35-L39 VanDerWaalsContact O-CG 3.31Å; A35-L39 WeakPolarHBondContact O-CG 3.35Å; A35-L39 PolarHBondContact O-N 3.48Å; Q36-L39 PolarHBondContact O-N 3.01Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 3.07Å; L39-M42 HydrophobicContact CD2-CE 3.79Å; L39-M42 PolarHBondContact O-N 3.29Å; L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.43Å; L39-T43 PolarHBondContact O-N 3.34Å; L39-T43 PolarHBondContact O-OG1 2.9Å |
| 40 | Q | 95.7 | Very high | 91.4 | Very high | 129 Ų | 129 | 84.5 Ų | 84.5 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.9 | -51.1 | 177.2 | -162.4 | 93.9 | 26.7 | 0 | 0 | 110.7 | Q36 E37 M42 T43 D44 | Q36-Q40 WeakPolarHBondContact O-CB 3.24Å; Q36-Q40 PolarHBondContact O-N 2.86Å; E37-Q40 PolarHBondContact O-N 3.4Å; Q40-M42 VanDerWaalsContact C-N 3.35Å; Q40-M42 PolarHBondContact O-N 2.61Å; Q40-T43 PolarHBondContact O-N 3.1Å; Q40-D44 PolarHBondContact O-N 2.91Å |
| 41 | R | 95.6 | Very high | 92.4 | Very high | 144 Ų | 144 | 81 Ų | 81 | 54% | 0.543 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | -179.8 | -72.2 | -177.9 | -179.4 | -108.2 | 4.3 | 112.7 | E37 L38 K45 | E37-R41 HydrophobicContact CG-CG 4.39Å; E37-R41 WeakPolarHBondContact O-CB 3.37Å; E37-R41 WeakPolarHBondContact O-CG 3.49Å; E37-R41 PolarHBondContact O-N 3.24Å; E37-R41 IonicContact OE1-CZ 3.24Å; E37-R41 VanDerWaalsContact OE1-CZ 3.24Å; E37-R41 IonicContact OE1-NE 2.88Å; E37-R41 PolarHBondContact OE1-NE 3.33Å; E37-R41 IonicContact OE1-NH2 2.73Å; E37-R41 PolarHBondContact OE1-NH2 2.88Å; L38-R41 PolarHBondContact O-N 3.42Å; R41-K45 WeakPolarHBondContact O-CB 3.21Å; R41-K45 WeakPolarHBondContact O-CG 3.17Å; R41-K45 PolarHBondContact O-N 3.36Å; R41-K45 VanDerWaalsContact O-N 3.13Å |
| 42 | M | 96 | Very high | 93.2 | Very high | 15 Ų | 15 | 81.7 Ų | 81.7 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 175 | -177.8 | 174.6 | 67.1 | 0 | 0 | 110.7 | L38 L39 Q40 D44 K45 C46 M70 Y73 M74 | L38-M42 VanDerWaalsContact O-CB 3.31Å; L38-M42 WeakPolarHBondContact O-CB 3.37Å; L38-M42 PolarHBondContact O-N 3.19Å; L39-M42 HydrophobicContact CD2-CE 3.79Å; L39-M42 PolarHBondContact O-N 3.29Å; Q40-M42 VanDerWaalsContact C-N 3.35Å; Q40-M42 PolarHBondContact O-N 2.61Å; M42-D44 PolarHBondContact O-N 3.04Å; M42-K45 PolarHBondContact O-N 3.27Å; M42-C46 WeakPolarHBondContact O-CB 3.31Å; M42-C46 PolarHBondContact O-N 3.47Å; M42-M70 HydrophobicContact CE-CE 4.45Å; M42-M70 HydrophobicContact CE-CG 4.16Å; M42-M70 HydrophobicContact CE-SD 4.33Å; M42-M70 HydrophobicContact CG-CG 4.22Å; M42-M70 HydrophobicContact SD-CB 4.03Å; M42-M70 HydrophobicContact SD-CG 3.98Å; M42-Y73 HydrophobicContact CB-CD1 3.6Å; M42-Y73 HydrophobicContact CB-CE1 3.54Å; M42-Y73 HydrophobicContact CB-CG 4.23Å; M42-Y73 HydrophobicContact CG-CD1 3.44Å; M42-Y73 VanDerWaalsContact CG-CD1 3.44Å; M42-Y73 HydrophobicContact CG-CE1 3.96Å; M42-Y73 HydrophobicContact CG-CG 3.81Å; M42-Y73 HydrophobicContact SD-CD1 3.72Å; M42-Y73 HydrophobicContact SD-CE1 4.43Å; M42-Y73 HydrophobicContact SD-CG 4.4Å; M42-M74 HydrophobicContact SD-CG 4.08Å; M42-M74 HydrophobicContact SD-SD 4.22Å |
| 43 | T | 95.7 | Very high | 93.4 | Very high | 67 Ų | 67 | 86.8 Ų | 86.8 | 41% | 0.411 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 179.4 | -59 | 0 | 0 | 0 | 0 | 110.5 | L39 Q40 K45 C46 F47 | L39-T43 VanDerWaalsContact O-CB 3.28Å; L39-T43 WeakPolarHBondContact O-CB 3.43Å; L39-T43 PolarHBondContact O-N 3.34Å; L39-T43 PolarHBondContact O-OG1 2.9Å; Q40-T43 PolarHBondContact O-N 3.1Å; T43-K45 VanDerWaalsContact C-N 3.34Å; T43-K45 PolarHBondContact O-N 3.13Å; T43-C46 PolarHBondContact O-N 3.43Å; T43-F47 WeakPolarHBondContact O-CB 3.26Å; T43-F47 PolarHBondContact O-N 2.94Å |
| 44 | D | 97.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 89.5 Ų | 89.5 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 179.1 | -73.3 | -15.2 | 0 | 0 | 0 | 112.7 | Q40 M42 K48 | Q40-D44 PolarHBondContact O-N 2.91Å; M42-D44 PolarHBondContact O-N 3.04Å; D44-K48 WeakPolarHBondContact O-CB 3.47Å; D44-K48 WeakPolarHBondContact O-CD 3.47Å; D44-K48 VanDerWaalsContact O-CG 3.24Å; D44-K48 WeakPolarHBondContact O-CG 3.31Å; D44-K48 PolarHBondContact O-N 3.44Å; D44-K48 VanDerWaalsContact O-N 3.1Å |
| 45 | K | 97.5 | Very high | 94 | Very high | 127 Ų | 127 | 87.9 Ų | 87.9 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.8 | -48 | 178.7 | -84.3 | 172.5 | 177.1 | -76.3 | 0 | 111.7 | R41 M42 T43 K49 Y73 | R41-K45 WeakPolarHBondContact O-CB 3.21Å; R41-K45 WeakPolarHBondContact O-CG 3.17Å; R41-K45 PolarHBondContact O-N 3.36Å; R41-K45 VanDerWaalsContact O-N 3.13Å; M42-K45 PolarHBondContact O-N 3.27Å; T43-K45 VanDerWaalsContact C-N 3.34Å; T43-K45 PolarHBondContact O-N 3.13Å; K45-K49 VanDerWaalsContact O-CB 3.31Å; K45-K49 WeakPolarHBondContact O-CB 3.46Å; K45-K49 PolarHBondContact O-N 2.94Å; K45-Y73 HydrophobicContact CD-CD2 3.89Å; K45-Y73 HydrophobicContact CD-CE2 3.4Å; K45-Y73 VanDerWaalsContact CD-CE2 3.4Å |
| 46 | C | 97.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 91.9 Ų | 91.9 | 1% | 0.014 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -70.4 | -37.1 | -177.4 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | M42 T43 K49 C50 C69 | M42-C46 WeakPolarHBondContact O-CB 3.31Å; M42-C46 PolarHBondContact O-N 3.47Å; T43-C46 PolarHBondContact O-N 3.43Å; C46-K49 PolarHBondContact O-N 3.48Å; C46-C50 VanDerWaalsContact O-CB 3.24Å; C46-C50 WeakPolarHBondContact O-CB 3.47Å; C46-C50 PolarHBondContact O-N 2.97Å; C46-C69 WeakPolarHBondContact CA-SG 3.33Å; C46-C69 HydrophobicContact CB-CB 3.76Å; C46-C69 WeakPolarHBondContact CB-SG 3.02Å; C46-C69 WeakPolarHBondContact SG-CB 3.37Å; C46-C69 CovalentContact SG-SG 2.05Å; C46-C69 PolarHBondContact SG-SG 3.32Å |
| 47 | F | 96.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 90.4 Ų | 90.4 | 44% | 0.443 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -52.5 | 173.4 | -170.7 | -89.9 | 0 | 0 | 0 | 111.2 | T43 K49 C50 I51 | T43-F47 WeakPolarHBondContact O-CB 3.26Å; T43-F47 PolarHBondContact O-N 2.94Å; F47-K49 PolarHBondContact O-N 3.26Å; F47-C50 PolarHBondContact O-N 3.43Å; F47-I51 HydrophobicContact CD1-CB 4.38Å; F47-I51 HydrophobicContact CD2-CB 4.18Å; F47-I51 HydrophobicContact CD2-CG1 3.57Å; F47-I51 HydrophobicContact CE1-CB 4.21Å; F47-I51 HydrophobicContact CE1-CG2 4.27Å; F47-I51 HydrophobicContact CE2-CB 4.01Å; F47-I51 HydrophobicContact CE2-CG1 3.67Å; F47-I51 HydrophobicContact CE2-CG2 3.98Å; F47-I51 HydrophobicContact CG-CB 4.36Å; F47-I51 HydrophobicContact CG-CG1 4.04Å; F47-I51 HydrophobicContact CZ-CB 4.03Å; F47-I51 HydrophobicContact CZ-CG1 4.21Å; F47-I51 HydrophobicContact CZ-CG2 3.77Å; F47-I51 WeakPolarHBondContact O-CB 3.3Å; F47-I51 PolarHBondContact O-N 3.29Å |
| 48 | K | 96.5 | Very high | 94.5 | Very high | 172 Ų | 172 | 89.7 Ų | 89.7 | 75% | 0.748 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.6 | -30.7 | 177.6 | -74 | 172.5 | -177.4 | 171.5 | 0 | 113.4 | D44 | D44-K48 WeakPolarHBondContact O-CB 3.47Å; D44-K48 WeakPolarHBondContact O-CD 3.47Å; D44-K48 VanDerWaalsContact O-CG 3.24Å; D44-K48 WeakPolarHBondContact O-CG 3.31Å; D44-K48 PolarHBondContact O-N 3.44Å; D44-K48 VanDerWaalsContact O-N 3.1Å |
| 49 | K | 97.1 | Very high | 94.6 | Very high | 166 Ų | 166 | 92.1 Ų | 92.1 | 72% | 0.722 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -81.9 | -39 | -178.6 | -178.6 | 58.6 | 178.6 | 176.8 | 0 | 112.8 | K45 C46 F47 | K45-K49 VanDerWaalsContact O-CB 3.31Å; K45-K49 WeakPolarHBondContact O-CB 3.46Å; K45-K49 PolarHBondContact O-N 2.94Å; C46-K49 PolarHBondContact O-N 3.48Å; F47-K49 PolarHBondContact O-N 3.26Å |
| 50 | C | 97.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 93.6 Ų | 93.6 | 11% | 0.108 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -103.9 | -23.5 | -167.8 | -68.9 | 0 | 0 | 0 | 0 | 114 | C46 F47 C65 I66 | C46-C50 VanDerWaalsContact O-CB 3.24Å; C46-C50 WeakPolarHBondContact O-CB 3.47Å; C46-C50 PolarHBondContact O-N 2.97Å; F47-C50 PolarHBondContact O-N 3.43Å; C50-C65 WeakPolarHBondContact CA-SG 3.48Å; C50-C65 HydrophobicContact CB-CB 3.59Å; C50-C65 WeakPolarHBondContact CB-SG 3.05Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 PolarHBondContact SG-O 3.43Å; C50-C65 VanDerWaalsContact SG-O 3.33Å; C50-C65 CovalentContact SG-SG 2.04Å; C50-C65 PolarHBondContact SG-SG 3.24Å; C50-I66 HydrophobicContact CB-CG1 3.87Å |
| 51 | I | 96.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 91.2 Ų | 91.2 | 9% | 0.087 | 51% | 0.505 | C | S | . | . | trans | -102.1 | 102.3 | -176.2 | -51.8 | -53.5 | 0 | 0 | 0 | 109.6 | F47 P54 L58 E62 I66 | F47-I51 HydrophobicContact CD1-CB 4.38Å; F47-I51 HydrophobicContact CD2-CB 4.18Å; F47-I51 HydrophobicContact CD2-CG1 3.57Å; F47-I51 HydrophobicContact CE1-CB 4.21Å; F47-I51 HydrophobicContact CE1-CG2 4.27Å; F47-I51 HydrophobicContact CE2-CB 4.01Å; F47-I51 HydrophobicContact CE2-CG1 3.67Å; F47-I51 HydrophobicContact CE2-CG2 3.98Å; F47-I51 HydrophobicContact CG-CB 4.36Å; F47-I51 HydrophobicContact CG-CG1 4.04Å; F47-I51 HydrophobicContact CZ-CB 4.03Å; F47-I51 HydrophobicContact CZ-CG1 4.21Å; F47-I51 HydrophobicContact CZ-CG2 3.77Å; F47-I51 WeakPolarHBondContact O-CB 3.3Å; F47-I51 PolarHBondContact O-N 3.29Å; I51-P54 HydrophobicContact CG2-CG 4.45Å; I51-L58 HydrophobicContact CD1-CD2 3.39Å; I51-L58 HydrophobicContact CG1-CD2 4.32Å; I51-E62 HydrophobicContact CD1-CB 3.62Å; I51-E62 HydrophobicContact CD1-CG 3.69Å; I51-I66 HydrophobicContact CD1-CD1 3.88Å; I51-I66 HydrophobicContact CG1-CD1 4.39Å | ||
| 52 | G | 91.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 85.2 Ų | 85.2 | 75% | 0.753 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -87.1 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 53 | K | 90 | Very high | 94.8 | Very high | 182 Ų | 182 | 89.2 Ų | 89.2 | 79% | 0.791 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -133.2 | 98.2 | 179.7 | -69.7 | -178.4 | -177 | 176 | 0 | 108.9 | G55 | K53-G55 PolarHBondContact O-N 2.97Š|
| 54 | P | 89.9 | Confident | 94.9 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | trans | -58 | 125.9 | 179.4 | -21.7 | 32.1 | 0 | 0 | 0 | 110.8 | I51 | I51-P54 HydrophobicContact CG2-CG 4.45Š| ||
| 55 | G | 89.1 | Confident | 94.9 | Very high | 61 Ų | 61 | 90.8 Ų | 90.8 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | trans | -130.2 | 179.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K53 S57 | K53-G55 PolarHBondContact O-N 2.97Å; G55-S57 PolarHBondContact O-N 3.33Å | ||
| 56 | S | 92.4 | Very high | 94.9 | Very high | 130 Ų | 130 | 86 Ų | 86 | 91% | 0.909 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -72.1 | -8.7 | 174.1 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 57 | S | 93.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 88.4 Ų | 88.4 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -151.5 | 147.2 | -173.9 | -48.8 | 0 | 0 | 0 | 0 | 109 | G55 | G55-S57 PolarHBondContact O-N 3.33Š|
| 58 | L | 93.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 88.6 Ų | 88.6 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | trans | -82 | 129.8 | 173 | -62.8 | 173.1 | 0 | 0 | 0 | 109.2 | I51 E62 Q63 I66 | I51-L58 HydrophobicContact CD1-CD2 3.39Å; I51-L58 HydrophobicContact CG1-CD2 4.32Å; L58-E62 WeakPolarHBondContact CA-OE2 3.21Å; L58-E62 HydrophobicContact CB-CB 4.39Å; L58-E62 HydrophobicContact CD2-CB 4.27Å; L58-Q63 HydrophobicContact CB-CG 3.61Å; L58-Q63 HydrophobicContact CD1-CG 4.24Å; L58-I66 HydrophobicContact CD1-CD1 3.87Å; L58-I66 HydrophobicContact CD2-CD1 4.01Å | ||
| 59 | D | 93.4 | Very high | 95 | Very high | 81 Ų | 81 | 81.6 Ų | 81.6 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | trans | -72.8 | 167.2 | 169.8 | 81.1 | 32.4 | 0 | 0 | 0 | 111.3 | S61 E62 Q63 | D59-S61 PolarHBondContact O-N 3.49Å; D59-S61 VanDerWaalsContact OD1-CA 3.28Å; D59-S61 WeakPolarHBondContact OD1-CA 3.42Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.44Å; D59-S61 PolarHBondContact OD1-N 3.22Å; D59-S61 PolarHBondContact OD1-OG 2.79Å; D59-S61 PolarHBondContact OD2-OG 3.47Å; D59-E62 PolarHBondContact N-OE2 3.36Å; D59-E62 PolarHBondContact O-N 2.96Å; D59-E62 WeakPolarHBondContact OD1-CG 3.31Å; D59-E62 PolarHBondContact OD1-N 3.45Å; D59-Q63 WeakPolarHBondContact O-CG 3.47Å; D59-Q63 PolarHBondContact O-N 3.41Å | ||
| 60 | N | 96.4 | Very high | 95 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 69% | 0.69 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.7 | -29 | -176.7 | -168.5 | 51.1 | 0 | 0 | 0 | 113 | K64 | N60-K64 WeakPolarHBondContact O-CB 3Å; N60-K64 PolarHBondContact O-N 2.95Å; N60-K64 VanDerWaalsContact O-N 3.15Å |
| 61 | S | 95.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 80.8 Ų | 80.8 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -75.6 | -39.5 | 178 | 77.5 | 0 | 0 | 0 | 0 | 111.7 | D59 K64 C65 | D59-S61 PolarHBondContact O-N 3.49Å; D59-S61 VanDerWaalsContact OD1-CA 3.28Å; D59-S61 WeakPolarHBondContact OD1-CA 3.42Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.44Å; D59-S61 PolarHBondContact OD1-N 3.22Å; D59-S61 PolarHBondContact OD1-OG 2.79Å; D59-S61 PolarHBondContact OD2-OG 3.47Å; S61-K64 PolarHBondContact O-N 2.97Å; S61-C65 WeakPolarHBondContact O-CB 3.42Å; S61-C65 PolarHBondContact O-N 3.31Å |
| 62 | E | 96.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 88.2 Ų | 88.2 | 8% | 0.084 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.6 | -46 | 174.3 | -70.7 | -179.5 | 141.9 | 0 | 0 | 111.1 | I51 L58 D59 K64 C65 I66 | I51-E62 HydrophobicContact CD1-CB 3.62Å; I51-E62 HydrophobicContact CD1-CG 3.69Å; L58-E62 WeakPolarHBondContact CA-OE2 3.21Å; L58-E62 HydrophobicContact CB-CB 4.39Å; L58-E62 HydrophobicContact CD2-CB 4.27Å; D59-E62 PolarHBondContact N-OE2 3.36Å; D59-E62 PolarHBondContact O-N 2.96Å; D59-E62 WeakPolarHBondContact OD1-CG 3.31Å; D59-E62 PolarHBondContact OD1-N 3.45Å; E62-K64 PolarHBondContact O-N 3.18Å; E62-C65 PolarHBondContact O-N 2.87Å; E62-I66 WeakPolarHBondContact O-CB 3.25Å; E62-I66 WeakPolarHBondContact O-CG1 3.48Å; E62-I66 PolarHBondContact O-N 3.34Å |
| 63 | Q | 95.7 | Very high | 95.2 | Very high | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -49 | 174.9 | -71.8 | 179 | -18.7 | 0 | 0 | 111.6 | L58 D59 C65 I66 A67 | L58-Q63 HydrophobicContact CB-CG 3.61Å; L58-Q63 HydrophobicContact CD1-CG 4.24Å; D59-Q63 WeakPolarHBondContact O-CG 3.47Å; D59-Q63 PolarHBondContact O-N 3.41Å; Q63-C65 PolarHBondContact O-N 2.85Å; Q63-I66 PolarHBondContact O-N 3.43Å; Q63-A67 PolarHBondContact O-N 2.87Å |
| 64 | K | 97.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 81.6 Ų | 81.6 | 61% | 0.609 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 178.1 | -171.7 | 177 | -179.4 | 178.8 | 0 | 111.7 | N60 S61 E62 A67 M68 | N60-K64 WeakPolarHBondContact O-CB 3Å; N60-K64 PolarHBondContact O-N 2.95Å; N60-K64 VanDerWaalsContact O-N 3.15Å; S61-K64 PolarHBondContact O-N 2.97Å; E62-K64 PolarHBondContact O-N 3.18Å; K64-A67 PolarHBondContact O-N 3.47Å; K64-M68 HydrophobicContact CG-CE 4.21Å; K64-M68 WeakPolarHBondContact O-CG 3.27Å; K64-M68 PolarHBondContact O-N 3.36Å; K64-M68 VanDerWaalsContact O-N 3.15Å |
| 65 | C | 98 | Very high | 95.7 | Very high | 37 Ų | 37 | 79.8 Ų | 79.8 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | C50 S61 E62 Q63 A67 M68 C69 | C50-C65 WeakPolarHBondContact CA-SG 3.48Å; C50-C65 HydrophobicContact CB-CB 3.59Å; C50-C65 WeakPolarHBondContact CB-SG 3.05Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 PolarHBondContact SG-O 3.43Å; C50-C65 VanDerWaalsContact SG-O 3.33Å; C50-C65 CovalentContact SG-SG 2.04Å; C50-C65 PolarHBondContact SG-SG 3.24Å; S61-C65 WeakPolarHBondContact O-CB 3.42Å; S61-C65 PolarHBondContact O-N 3.31Å; E62-C65 PolarHBondContact O-N 2.87Å; Q63-C65 PolarHBondContact O-N 2.85Å; C65-A67 PolarHBondContact O-N 3.29Å; C65-M68 PolarHBondContact O-N 3.46Å; C65-C69 VanDerWaalsContact O-CB 3.27Å; C65-C69 WeakPolarHBondContact O-CB 3.43Å; C65-C69 PolarHBondContact O-N 2.92Å |
| 66 | I | 97.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 14% | 0.144 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 179.4 | -74.3 | 169 | 0 | 0 | 0 | 110.7 | C50 I51 L58 E62 Q63 M68 C69 M70 | C50-I66 HydrophobicContact CB-CG1 3.87Å; I51-I66 HydrophobicContact CD1-CD1 3.88Å; I51-I66 HydrophobicContact CG1-CD1 4.39Å; L58-I66 HydrophobicContact CD1-CD1 3.87Å; L58-I66 HydrophobicContact CD2-CD1 4.01Å; E62-I66 WeakPolarHBondContact O-CB 3.25Å; E62-I66 WeakPolarHBondContact O-CG1 3.48Å; E62-I66 PolarHBondContact O-N 3.34Å; Q63-I66 PolarHBondContact O-N 3.43Å; I66-M68 PolarHBondContact O-N 3.13Å; I66-C69 WeakPolarHBondContact O-CB 3.45Å; I66-C69 PolarHBondContact O-N 3.48Å; I66-C69 VanDerWaalsContact O-N 3.14Å; I66-M70 HydrophobicContact CG2-CE 3.63Å; I66-M70 HydrophobicContact CG2-CG 4.24Å; I66-M70 HydrophobicContact CG2-SD 3.88Å; I66-M70 WeakPolarHBondContact O-CG 3.49Å; I66-M70 PolarHBondContact O-N 2.05Å |
| 67 | A | 96 | Very high | 96.2 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56 | -51.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q63 K64 C65 C69 M70 D71 | Q63-A67 PolarHBondContact O-N 2.87Å; K64-A67 PolarHBondContact O-N 3.47Å; C65-A67 PolarHBondContact O-N 3.29Å; A67-C69 VanDerWaalsContact C-N 3.3Å; A67-C69 PolarHBondContact O-N 3.01Å; A67-M70 PolarHBondContact O-N 3.38Å; A67-D71 PolarHBondContact O-N 2.84Å; A67-D71 VanDerWaalsContact O-N 3.09Å |
| 68 | M | 98.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 76.3 Ų | 76.3 | 51% | 0.512 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.8 | -66.2 | -175.7 | -58.6 | 0 | 0 | 112.5 | K64 C65 I66 R72 | K64-M68 HydrophobicContact CG-CE 4.21Å; K64-M68 WeakPolarHBondContact O-CG 3.27Å; K64-M68 PolarHBondContact O-N 3.36Å; K64-M68 VanDerWaalsContact O-N 3.15Å; C65-M68 PolarHBondContact O-N 3.46Å; I66-M68 PolarHBondContact O-N 3.13Å; M68-R72 WeakPolarHBondContact O-CB 3.24Å; M68-R72 VanDerWaalsContact O-CG 3.26Å; M68-R72 WeakPolarHBondContact O-CG 3.2Å; M68-R72 PolarHBondContact O-N 3.24Å |
| 69 | C | 98.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 76.7 Ų | 76.7 | 18% | 0.176 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 178.8 | 177 | 0 | 0 | 0 | 0 | 111.8 | C46 C65 I66 A67 R72 Y73 | C46-C69 WeakPolarHBondContact CA-SG 3.33Å; C46-C69 HydrophobicContact CB-CB 3.76Å; C46-C69 WeakPolarHBondContact CB-SG 3.02Å; C46-C69 WeakPolarHBondContact SG-CB 3.37Å; C46-C69 CovalentContact SG-SG 2.05Å; C46-C69 PolarHBondContact SG-SG 3.32Å; C65-C69 VanDerWaalsContact O-CB 3.27Å; C65-C69 WeakPolarHBondContact O-CB 3.43Å; C65-C69 PolarHBondContact O-N 2.92Å; I66-C69 WeakPolarHBondContact O-CB 3.45Å; I66-C69 PolarHBondContact O-N 3.48Å; I66-C69 VanDerWaalsContact O-N 3.14Å; A67-C69 VanDerWaalsContact C-N 3.3Å; A67-C69 PolarHBondContact O-N 3.01Å; C69-R72 PolarHBondContact O-N 2.04Å; C69-Y73 VanDerWaalsContact O-CB 3.3Å; C69-Y73 WeakPolarHBondContact O-CB 3.34Å; C69-Y73 PolarHBondContact O-N 2.86Å |
| 70 | M | 96.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 77.4 Ų | 77.4 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 178.7 | -71.9 | -179.8 | 171.4 | 0 | 0 | 110.9 | M42 I66 A67 R72 Y73 M74 | M42-M70 HydrophobicContact CE-CE 4.45Å; M42-M70 HydrophobicContact CE-CG 4.16Å; M42-M70 HydrophobicContact CE-SD 4.33Å; M42-M70 HydrophobicContact CG-CG 4.22Å; M42-M70 HydrophobicContact SD-CB 4.03Å; M42-M70 HydrophobicContact SD-CG 3.98Å; I66-M70 HydrophobicContact CG2-CE 3.63Å; I66-M70 HydrophobicContact CG2-CG 4.24Å; I66-M70 HydrophobicContact CG2-SD 3.88Å; I66-M70 WeakPolarHBondContact O-CG 3.49Å; I66-M70 PolarHBondContact O-N 2.05Å; A67-M70 PolarHBondContact O-N 3.38Å; M70-R72 PolarHBondContact O-N 3.07Å; M70-Y73 PolarHBondContact O-N 3.35Å; M70-M74 WeakPolarHBondContact O-CG 3.37Å; M70-M74 PolarHBondContact O-N 2.84Å |
| 71 | D | 95.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 72.9 Ų | 72.9 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.8 | -51.1 | 175.9 | -69.6 | -21.7 | 0 | 0 | 0 | 111.3 | A67 Y73 M74 D75 | A67-D71 PolarHBondContact O-N 2.84Å; A67-D71 VanDerWaalsContact O-N 3.09Å; D71-Y73 VanDerWaalsContact C-N 3.33Å; D71-Y73 PolarHBondContact O-N 3.31Å; D71-M74 PolarHBondContact O-N 2.75Å; D71-D75 PolarHBondContact O-N 2.86Å |
| 72 | R | 97.5 | Very high | 96.3 | Very high | 172 Ų | 172 | 77.2 Ų | 77.2 | 65% | 0.649 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.5 | -35.4 | 178.6 | -68.4 | -62.1 | 87.3 | 156.9 | 5.8 | 113.2 | M68 C69 M70 D75 A76 | M68-R72 WeakPolarHBondContact O-CB 3.24Å; M68-R72 VanDerWaalsContact O-CG 3.26Å; M68-R72 WeakPolarHBondContact O-CG 3.2Å; M68-R72 PolarHBondContact O-N 3.24Å; C69-R72 PolarHBondContact O-N 2.04Å; M70-R72 PolarHBondContact O-N 3.07Å; R72-D75 IonicContact CZ-OD2 3.11Å; R72-D75 IonicContact NE-OD2 3.26Å; R72-D75 PolarHBondContact NE-OD2 3.45Å; R72-D75 IonicContact NH2-OD2 2.61Å; R72-D75 PolarHBondContact NH2-OD2 3.09Å; R72-A76 WeakPolarHBondContact O-CB 3.31Å; R72-A76 PolarHBondContact O-N 2.89Å |
| 73 | Y | 97.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 80.1 Ų | 80.1 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 176.6 | -177 | -92.1 | 0 | 0 | 0 | 111.1 | L38 M42 K45 C69 M70 D71 A76 W77 | L38-Y73 HydrophobicContact CD1-CE1 3.67Å; M42-Y73 HydrophobicContact CB-CD1 3.6Å; M42-Y73 HydrophobicContact CB-CE1 3.54Å; M42-Y73 HydrophobicContact CB-CG 4.23Å; M42-Y73 HydrophobicContact CG-CD1 3.44Å; M42-Y73 VanDerWaalsContact CG-CD1 3.44Å; M42-Y73 HydrophobicContact CG-CE1 3.96Å; M42-Y73 HydrophobicContact CG-CG 3.81Å; M42-Y73 HydrophobicContact SD-CD1 3.72Å; M42-Y73 HydrophobicContact SD-CE1 4.43Å; M42-Y73 HydrophobicContact SD-CG 4.4Å; K45-Y73 HydrophobicContact CD-CD2 3.89Å; K45-Y73 HydrophobicContact CD-CE2 3.4Å; K45-Y73 VanDerWaalsContact CD-CE2 3.4Å; C69-Y73 VanDerWaalsContact O-CB 3.3Å; C69-Y73 WeakPolarHBondContact O-CB 3.34Å; C69-Y73 PolarHBondContact O-N 2.86Å; M70-Y73 PolarHBondContact O-N 3.35Å; D71-Y73 VanDerWaalsContact C-N 3.33Å; D71-Y73 PolarHBondContact O-N 3.31Å; Y73-A76 PolarHBondContact O-N 2.96Å; Y73-W77 WeakPolarHBondContact O-CB 3.28Å; Y73-W77 PolarHBondContact O-N 2.87Å |
| 74 | M | 95 | Very high | 96.3 | Very high | 72 Ų | 72 | 82.5 Ų | 82.5 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 178.2 | -71.3 | -61.4 | -78.4 | 0 | 0 | 112 | L38 M42 M70 D71 W77 N78 | L38-M74 HydrophobicContact CD2-SD 4.36Å; M42-M74 HydrophobicContact SD-CG 4.08Å; M42-M74 HydrophobicContact SD-SD 4.22Å; M70-M74 WeakPolarHBondContact O-CG 3.37Å; M70-M74 PolarHBondContact O-N 2.84Å; D71-M74 PolarHBondContact O-N 2.75Å; M74-W77 PolarHBondContact O-N 2.89Å; M74-N78 VanDerWaalsContact O-CB 3.27Å; M74-N78 WeakPolarHBondContact O-CB 3.37Å; M74-N78 VanDerWaalsContact O-CG 3.28Å; M74-N78 PolarHBondContact O-N 2.9Å; M74-N78 PolarHBondContact O-ND2 3.36Å; M74-N78 VanDerWaalsContact O-ND2 3.07Å |
| 75 | D | 96.2 | Very high | 96.2 | Very high | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.6 | -71.1 | -32 | 0 | 0 | 0 | 112.4 | D71 R72 N78 T79 | D71-D75 PolarHBondContact O-N 2.86Å; R72-D75 IonicContact CZ-OD2 3.11Å; R72-D75 IonicContact NE-OD2 3.26Å; R72-D75 PolarHBondContact NE-OD2 3.45Å; R72-D75 IonicContact NH2-OD2 2.61Å; R72-D75 PolarHBondContact NH2-OD2 3.09Å; D75-N78 PolarHBondContact O-N 2.92Å; D75-T79 WeakPolarHBondContact O-CB 3.43Å; D75-T79 PolarHBondContact O-N 3.02Å; D75-T79 PolarHBondContact O-OG1 2.83Å |
| 76 | A | 96.4 | Very high | 96 | Very high | 55 Ų | 55 | 80.1 Ų | 80.1 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R72 Y73 N78 T79 V80 | R72-A76 WeakPolarHBondContact O-CB 3.31Å; R72-A76 PolarHBondContact O-N 2.89Å; Y73-A76 PolarHBondContact O-N 2.96Å; A76-N78 PolarHBondContact O-N 2.83Å; A76-T79 PolarHBondContact O-N 2.7Å; A76-V80 WeakPolarHBondContact O-CG2 3.3Å; A76-V80 PolarHBondContact O-N 2.88Å |
| 77 | W | 94.6 | Very high | 96 | Very high | 105 Ų | 105 | 85.7 Ų | 85.7 | 40% | 0.398 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 178.1 | -177.9 | 85.9 | 0 | 0 | 0 | 111.8 | L38 Y73 M74 T79 V80 S81 | L38-W77 VanDerWaalsContact CD1-CD1 3.46Å; L38-W77 HydrophobicContact CD1-CD2 4.21Å; L38-W77 HydrophobicContact CD1-CG 3.9Å; L38-W77 HydrophobicContact CD2-CD2 4.19Å; L38-W77 HydrophobicContact CD2-CH2 4.49Å; L38-W77 HydrophobicContact CD2-CZ2 4.15Å; Y73-W77 WeakPolarHBondContact O-CB 3.28Å; Y73-W77 PolarHBondContact O-N 2.87Å; M74-W77 PolarHBondContact O-N 2.89Å; W77-T79 VanDerWaalsContact C-N 3.3Å; W77-T79 PolarHBondContact O-N 2.89Å; W77-V80 PolarHBondContact O-N 3.34Å; W77-S81 WeakPolarHBondContact O-CB 3.32Å; W77-S81 PolarHBondContact O-N 3.1Å |
| 78 | N | 94.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 85.6 Ų | 85.6 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 176.9 | -82.5 | -40.2 | 0 | 0 | 0 | 112.2 | M74 D75 A76 R82 | M74-N78 VanDerWaalsContact O-CB 3.27Å; M74-N78 WeakPolarHBondContact O-CB 3.37Å; M74-N78 VanDerWaalsContact O-CG 3.28Å; M74-N78 PolarHBondContact O-N 2.9Å; M74-N78 PolarHBondContact O-ND2 3.36Å; M74-N78 VanDerWaalsContact O-ND2 3.07Å; D75-N78 PolarHBondContact O-N 2.92Å; A76-N78 PolarHBondContact O-N 2.83Å; N78-R82 WeakPolarHBondContact O-CB 3.49Å; N78-R82 WeakPolarHBondContact O-CG 3.36Å; N78-R82 PolarHBondContact O-N 2.96Å |
| 79 | T | 96.7 | Very high | 95.7 | Very high | 86 Ų | 86 | 85.7 Ų | 85.7 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.9 | -51.2 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | D75 A76 W77 S81 R82 T83 | D75-T79 WeakPolarHBondContact O-CB 3.43Å; D75-T79 PolarHBondContact O-N 3.02Å; D75-T79 PolarHBondContact O-OG1 2.83Å; A76-T79 PolarHBondContact O-N 2.7Å; W77-T79 VanDerWaalsContact C-N 3.3Å; W77-T79 PolarHBondContact O-N 2.89Å; T79-S81 PolarHBondContact O-N 2.88Å; T79-R82 PolarHBondContact O-N 3.4Å; T79-T83 PolarHBondContact O-N 2.91Å; T79-T83 PolarHBondContact O-OG1 3.46Å; T79-T83 VanDerWaalsContact O-OG1 3.11Å |
| 80 | V | 96.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 90.8 Ų | 90.8 | 59% | 0.588 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A76 W77 R82 T83 Y84 | A76-V80 WeakPolarHBondContact O-CG2 3.3Å; A76-V80 PolarHBondContact O-N 2.88Å; W77-V80 PolarHBondContact O-N 3.34Å; V80-R82 PolarHBondContact O-N 3.3Å; V80-T83 PolarHBondContact O-N 2.99Å; V80-Y84 WeakPolarHBondContact O-CB 3.35Å; V80-Y84 PolarHBondContact O-N 2.88Å |
| 81 | S | 93.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 92 Ų | 92 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 179.2 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | W77 T79 Y84 N85 | W77-S81 WeakPolarHBondContact O-CB 3.32Å; W77-S81 PolarHBondContact O-N 3.1Å; T79-S81 PolarHBondContact O-N 2.88Å; S81-Y84 PolarHBondContact O-N 2.86Å; S81-N85 WeakPolarHBondContact O-CB 3.32Å; S81-N85 PolarHBondContact O-N 3.36Å; S81-N85 PolarHBondContact O-ND2 3.49Å; S81-N85 PolarHBondContact OG-ND2 2.81Å |
| 82 | R | 94.8 | Very high | 95.3 | Very high | 169 Ų | 169 | 94.2 Ų | 94.2 | 64% | 0.638 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.8 | -47.3 | 176.5 | -76.7 | -175.6 | -113 | -96.1 | 7.2 | 112 | N78 T79 V80 S86 | N78-R82 WeakPolarHBondContact O-CB 3.49Å; N78-R82 WeakPolarHBondContact O-CG 3.36Å; N78-R82 PolarHBondContact O-N 2.96Å; T79-R82 PolarHBondContact O-N 3.4Å; V80-R82 PolarHBondContact O-N 3.3Å; R82-S86 WeakPolarHBondContact O-CB 3.49Å; R82-S86 PolarHBondContact O-N 3.48Å |
| 83 | T | 96.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 90 Ų | 90 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 179.8 | -57 | 0 | 0 | 0 | 0 | 111.4 | T79 V80 S86 R87 | T79-T83 PolarHBondContact O-N 2.91Å; T79-T83 PolarHBondContact O-OG1 3.46Å; T79-T83 VanDerWaalsContact O-OG1 3.11Å; V80-T83 PolarHBondContact O-N 2.99Å; T83-S86 PolarHBondContact O-N 3.28Å; T83-R87 WeakPolarHBondContact O-CG 3.38Å; T83-R87 PolarHBondContact O-N 3.45Å |
| 84 | Y | 95.9 | Very high | 94.5 | Very high | 150 Ų | 150 | 96.8 Ų | 96.8 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.4 | -49.4 | 178.3 | 178.2 | -104.7 | 0 | 0 | 0 | 111.5 | V80 S81 S86 R87 L88 | V80-Y84 WeakPolarHBondContact O-CB 3.35Å; V80-Y84 PolarHBondContact O-N 2.88Å; S81-Y84 PolarHBondContact O-N 2.86Å; Y84-S86 PolarHBondContact O-N 3.32Å; Y84-R87 PolarHBondContact O-N 3.33Å; Y84-L88 HydrophobicContact CE1-CD2 4.49Å; Y84-L88 WeakPolarHBondContact O-CB 3.08Å; Y84-L88 PolarHBondContact O-N 3.49Å |
| 85 | N | 94.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 103.5 Ų | 103.5 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.7 | -80.4 | -68.4 | 0 | 0 | 0 | 111.8 | S81 R87 L88 Q89 | S81-N85 WeakPolarHBondContact O-CB 3.32Å; S81-N85 PolarHBondContact O-N 3.36Å; S81-N85 PolarHBondContact O-ND2 3.49Å; S81-N85 PolarHBondContact OG-ND2 2.81Å; N85-R87 VanDerWaalsContact C-N 3.3Å; N85-R87 PolarHBondContact O-N 3.14Å; N85-L88 PolarHBondContact O-N 3.03Å; N85-Q89 WeakPolarHBondContact O-CG 3.48Å; N85-Q89 PolarHBondContact O-N 3.23Å |
| 86 | S | 95 | Very high | 92.9 | Very high | 53 Ų | 53 | 105.2 Ų | 105.2 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | R82 T83 Y84 R90 | R82-S86 WeakPolarHBondContact O-CB 3.49Å; R82-S86 PolarHBondContact O-N 3.48Å; T83-S86 PolarHBondContact O-N 3.28Å; Y84-S86 PolarHBondContact O-N 3.32Å; S86-R90 WeakPolarHBondContact O-CG 3.28Å; S86-R90 PolarHBondContact O-N 2.99Å |
| 87 | R | 95.8 | Very high | 92.8 | Very high | 144 Ų | 144 | 107.8 Ų | 107.8 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 175 | -69.6 | -70.9 | -175.2 | -172.1 | 0.4 | 111.6 | T83 Y84 N85 Q89 R90 E91 | T83-R87 WeakPolarHBondContact O-CG 3.38Å; T83-R87 PolarHBondContact O-N 3.45Å; Y84-R87 PolarHBondContact O-N 3.33Å; N85-R87 VanDerWaalsContact C-N 3.3Å; N85-R87 PolarHBondContact O-N 3.14Å; R87-Q89 VanDerWaalsContact C-N 3.3Å; R87-Q89 PolarHBondContact O-N 3.48Å; R87-R90 PolarHBondContact O-N 3.15Å; R87-R90 VanDerWaalsContact O-N 3.09Å; R87-E91 PolarHBondContact O-N 3.23Å |
| 88 | L | 95.3 | Very high | 92.7 | Very high | 50 Ų | 50 | 108 Ų | 108 | 26% | 0.262 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.9 | -43 | 179.7 | -178.7 | 62.5 | 0 | 0 | 0 | 112.2 | Y84 N85 E91 R92 | Y84-L88 HydrophobicContact CE1-CD2 4.49Å; Y84-L88 WeakPolarHBondContact O-CB 3.08Å; Y84-L88 PolarHBondContact O-N 3.49Å; N85-L88 PolarHBondContact O-N 3.03Å; L88-E91 PolarHBondContact O-N 3.45Å; L88-R92 WeakPolarHBondContact O-CB 3.37Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 3.26Å |
| 89 | Q | 93.2 | Very high | 92.6 | Very high | 106 Ų | 106 | 111.5 Ų | 111.5 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 177.4 | -63.5 | -58.8 | -19.5 | 0 | 0 | 112.3 | N85 R87 R92 A93 | N85-Q89 WeakPolarHBondContact O-CG 3.48Å; N85-Q89 PolarHBondContact O-N 3.23Å; R87-Q89 VanDerWaalsContact C-N 3.3Å; R87-Q89 PolarHBondContact O-N 3.48Å; Q89-R92 PolarHBondContact O-N 2.77Å; Q89-A93 WeakPolarHBondContact O-CB 3.33Å; Q89-A93 PolarHBondContact O-N 3.23Å |
| 90 | R | 94.4 | Very high | 92.3 | Very high | 134 Ų | 134 | 113.1 Ų | 113.1 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 177 | -69.2 | 174.5 | -168.4 | -172.9 | 3.1 | 112.2 | S86 R87 A93 R94 | S86-R90 WeakPolarHBondContact O-CG 3.28Å; S86-R90 PolarHBondContact O-N 2.99Å; R87-R90 PolarHBondContact O-N 3.15Å; R87-R90 VanDerWaalsContact O-N 3.09Å; R90-A93 PolarHBondContact O-N 2.98Å; R90-R94 WeakPolarHBondContact O-CG 3.3Å; R90-R94 PolarHBondContact O-N 2.79Å |
| 91 | E | 95.3 | Very high | 92 | Very high | 90 Ų | 90 | 114.2 Ų | 114.2 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 177.5 | -65.2 | -53.3 | 138.3 | 0 | 0 | 111.5 | R87 L88 A93 R94 M95 | R87-E91 PolarHBondContact O-N 3.23Å; L88-E91 PolarHBondContact O-N 3.45Å; E91-A93 VanDerWaalsContact C-N 3.31Å; E91-A93 PolarHBondContact O-N 2.6Å; E91-R94 PolarHBondContact O-N 2.93Å; E91-R94 IonicContact OE1-NH1 2.92Å; E91-R94 PolarHBondContact OE1-NH1 3.15Å; E91-R94 IonicContact OE2-NH1 3.95Å; E91-M95 PolarHBondContact O-N 3.42Å |
| 92 | R | 92 | Very high | 91.9 | Very high | 146 Ų | 146 | 119.9 Ų | 119.9 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -34.3 | 172.7 | -75.9 | 177.8 | 178.9 | 179.5 | -0.3 | 113.4 | L88 Q89 R94 M95 | L88-R92 WeakPolarHBondContact O-CB 3.37Å; L88-R92 WeakPolarHBondContact O-CG 3.43Å; L88-R92 PolarHBondContact O-N 3.26Å; Q89-R92 PolarHBondContact O-N 2.77Å; R92-R94 VanDerWaalsContact C-N 3.29Å; R92-M95 PolarHBondContact O-N 3.31Å |
| 93 | A | 90 | Very high | 91.7 | Very high | 85 Ų | 85 | 116.2 Ų | 116.2 | 70% | 0.702 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q89 R90 E91 | Q89-A93 WeakPolarHBondContact O-CB 3.33Å; Q89-A93 PolarHBondContact O-N 3.23Å; R90-A93 PolarHBondContact O-N 2.98Å; E91-A93 VanDerWaalsContact C-N 3.31Å; E91-A93 PolarHBondContact O-N 2.6Å |
| 94 | R | 88.1 | Confident | 91.3 | Very high | 186 Ų | 186 | 119.3 Ų | 119.3 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.6 | 174.3 | -75 | 171.9 | 172.5 | 174.2 | -8.9 | 112.9 | R90 E91 R92 | R90-R94 WeakPolarHBondContact O-CG 3.3Å; R90-R94 PolarHBondContact O-N 2.79Å; E91-R94 PolarHBondContact O-N 2.93Å; E91-R94 IonicContact OE1-NH1 2.92Å; E91-R94 PolarHBondContact OE1-NH1 3.15Å; E91-R94 IonicContact OE2-NH1 3.95Å; R92-R94 VanDerWaalsContact C-N 3.29Å |
| 95 | M | 66 | Low | 90.9 | Very high | 213 Ų | 213 | 116.5 Ų | 116.5 | 100% | 1.049 | 55% | 0.545 | S | S | * | . | trans | -92.3 | 0 | 173.9 | -133.1 | 177.1 | -73.8 | 0 | 0 | 109 | E91 R92 | E91-M95 PolarHBondContact O-N 3.42Å; R92-M95 PolarHBondContact O-N 3.31Å |
Retrieved 95 of 95 residues in 108.8 ms
(Link to these results)