| 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 | 60.1 | Low | 68.2 | Low | 219 Ų | 219 | 125.1 Ų | 125.1 | 100% | 1.079 | 63% | 0.63 | S | S | * | * | 0 | -9.4 | 0 | -91.5 | -167.4 | 159.8 | 0 | 0 | 115.3 | |||||
| 2 | S | 63.8 | Low | 69.4 | Low | 85 Ų | 85 | 124.3 Ų | 124.3 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.6 | -35.9 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | H4 R5 L6 | S2-H4 PolarHBondContact O-N 3.45Å; S2-R5 PolarHBondContact O-N 3.17Å; S2-R5 VanDerWaalsContact O-N 3.17Å; S2-L6 PolarHBondContact O-N 3.28Å |
| 3 | L | 62.2 | Low | 70.3 | Confident | 134 Ų | 134 | 123.8 Ų | 123.8 | 70% | 0.702 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.3 | -36.5 | -177 | -72.8 | 163.6 | 0 | 0 | 0 | 113.7 | R5 L6 F7 | L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.39Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-F7 PolarHBondContact O-N 3.13Å; L3-F7 VanDerWaalsContact O-N 3.07Å |
| 4 | H | 64.9 | Low | 70.9 | Confident | 135 Ų | 135 | 129.1 Ų | 129.1 | 63% | 0.625 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.8 | -31.2 | 177.7 | -155.5 | -62.1 | 0 | 0 | 0 | 112 | S2 Q8 | S2-H4 PolarHBondContact O-N 3.45Å; H4-Q8 WeakPolarHBondContact O-CG 3.32Å; H4-Q8 PolarHBondContact O-N 3.07Å; H4-Q8 VanDerWaalsContact O-N 3.13Å |
| 5 | R | 66.6 | Low | 71.5 | Confident | 191 Ų | 191 | 125.5 Ų | 125.5 | 72% | 0.721 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.6 | -36.2 | 174.5 | -65.6 | -163.4 | 179.2 | -154.4 | 1.6 | 111.8 | S2 L3 Q8 L9 | S2-R5 PolarHBondContact O-N 3.17Å; S2-R5 VanDerWaalsContact O-N 3.17Å; L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.39Å; R5-Q8 PolarHBondContact O-N 3.04Å; R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 3.17Å |
| 6 | L | 68.3 | Low | 72 | Confident | 109 Ų | 109 | 121.1 Ų | 121.1 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.3 | -39.1 | 173 | -76 | 161.8 | 0 | 0 | 0 | 112.3 | S2 L3 S10 | S2-L6 PolarHBondContact O-N 3.28Å; L3-L6 PolarHBondContact O-N 3.47Å; L6-S10 WeakPolarHBondContact O-CB 3.07Å; L6-S10 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-OG 3.39Å |
| 7 | F | 68.3 | Low | 72.5 | Confident | 164 Ų | 164 | 118.4 Ų | 118.4 | 72% | 0.719 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.2 | -34.9 | 176.1 | -124.6 | -86.5 | 0 | 0 | 0 | 113.1 | L3 S10 S11 | L3-F7 PolarHBondContact O-N 3.13Å; L3-F7 VanDerWaalsContact O-N 3.07Å; F7-S10 PolarHBondContact O-OG 3.46Å; F7-S11 WeakPolarHBondContact O-CB 3.22Å; F7-S11 PolarHBondContact O-N 2.9Å; F7-S11 VanDerWaalsContact O-N 3.08Å |
| 8 | Q | 71.6 | Confident | 72.8 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -43.8 | 174.8 | -69.3 | -102.1 | -17.7 | 0 | 0 | 111.1 | H4 R5 S10 S11 L12 | H4-Q8 WeakPolarHBondContact O-CG 3.32Å; H4-Q8 PolarHBondContact O-N 3.07Å; H4-Q8 VanDerWaalsContact O-N 3.13Å; R5-Q8 PolarHBondContact O-N 3.04Å; Q8-S10 VanDerWaalsContact C-N 3.35Å; Q8-S10 PolarHBondContact O-N 3.43Å; Q8-S11 WeakPolarHBondContact O-CB 3.35Å; Q8-S11 PolarHBondContact O-N 2.96Å; Q8-L12 WeakPolarHBondContact O-CG 3.45Å; Q8-L12 PolarHBondContact O-N 3.32Å |
| 9 | L | 73.3 | Confident | 72.9 | Confident | 108 Ų | 108 | 113.8 Ų | 113.8 | 57% | 0.565 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.6 | -41.1 | 175.1 | -75.2 | 165.5 | 0 | 0 | 0 | 111.9 | R5 S11 L12 L13 | R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 3.17Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 2.92Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.08Å |
| 10 | S | 76.1 | Confident | 72.9 | Confident | 48 Ų | 48 | 112.3 Ų | 112.3 | 34% | 0.336 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67 | -34.7 | 177.3 | 73.3 | 0 | 0 | 0 | 0 | 112.5 | L6 F7 Q8 R14 | L6-S10 WeakPolarHBondContact O-CB 3.07Å; L6-S10 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-OG 3.39Å; F7-S10 PolarHBondContact O-OG 3.46Å; Q8-S10 VanDerWaalsContact C-N 3.35Å; Q8-S10 PolarHBondContact O-N 3.43Å; S10-R14 WeakPolarHBondContact O-CB 3.45Å; S10-R14 VanDerWaalsContact O-CG 3.22Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-N 3.34Å |
| 11 | S | 75.6 | Confident | 72.8 | Confident | 72 Ų | 72 | 112 Ų | 112 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.5 | -47.2 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | F7 Q8 L9 L13 R14 S15 | F7-S11 WeakPolarHBondContact O-CB 3.22Å; F7-S11 PolarHBondContact O-N 2.9Å; F7-S11 VanDerWaalsContact O-N 3.08Å; Q8-S11 WeakPolarHBondContact O-CB 3.35Å; Q8-S11 PolarHBondContact O-N 2.96Å; L9-S11 VanDerWaalsContact C-N 3.33Å; L9-S11 PolarHBondContact O-N 2.94Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 2.94Å; S11-R14 PolarHBondContact O-N 3.31Å; S11-S15 WeakPolarHBondContact O-CB 3.41Å; S11-S15 PolarHBondContact O-N 3.38Å |
| 12 | L | 81.8 | Confident | 73.3 | Confident | 115 Ų | 115 | 110.2 Ų | 110.2 | 60% | 0.602 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -39.9 | 177.5 | -65.9 | 174.5 | 0 | 0 | 0 | 111.7 | Q8 L9 S15 A16 | Q8-L12 WeakPolarHBondContact O-CG 3.45Å; Q8-L12 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-N 3.38Å; L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.48Å |
| 13 | L | 81.2 | Confident | 73.6 | Confident | 119 Ų | 119 | 116.3 Ų | 116.3 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.8 | -42.7 | 178.1 | -152.4 | 132.6 | 0 | 0 | 0 | 111.4 | L9 S11 S15 A16 V17 | L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.08Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 2.94Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 3.44Å; L13-V17 HydrophobicContact CD2-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.9Å |
| 14 | R | 78.4 | Confident | 73.8 | Confident | 197 Ų | 197 | 113.2 Ų | 113.2 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.8 | -40 | 172.4 | -77 | 176.7 | 178 | -146.1 | 0.5 | 112 | S10 S11 S18 | S10-R14 WeakPolarHBondContact O-CB 3.45Å; S10-R14 VanDerWaalsContact O-CG 3.22Å; S10-R14 WeakPolarHBondContact O-CG 3.31Å; S10-R14 PolarHBondContact O-N 3.34Å; S11-R14 PolarHBondContact O-N 3.31Å; R14-S18 WeakPolarHBondContact O-CB 3.42Å; R14-S18 PolarHBondContact O-N 3.49Å |
| 15 | S | 80 | Confident | 73.6 | Confident | 76 Ų | 76 | 111.5 Ų | 111.5 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -46.6 | 177.4 | -171.7 | 0 | 0 | 0 | 0 | 111.9 | S11 L12 L13 V17 S18 L19 | S11-S15 WeakPolarHBondContact O-CB 3.41Å; S11-S15 PolarHBondContact O-N 3.38Å; L12-S15 PolarHBondContact O-N 3.38Å; L13-S15 VanDerWaalsContact C-N 3.31Å; L13-S15 PolarHBondContact O-N 2.89Å; S15-V17 PolarHBondContact O-N 2.92Å; S15-S18 PolarHBondContact O-N 3.4Å; S15-L19 WeakPolarHBondContact O-CB 3.2Å; S15-L19 PolarHBondContact O-N 2.9Å |
| 16 | A | 80.3 | Confident | 73.4 | Confident | 55 Ų | 55 | 105.1 Ų | 105.1 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 L13 L19 T20 | L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 3.33Å; A16-T20 WeakPolarHBondContact O-CB 3.38Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 PolarHBondContact O-OG1 3.45Å |
| 17 | V | 79.4 | Confident | 73.2 | Confident | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L13 S15 L19 T20 L21 | L13-V17 HydrophobicContact CD2-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.9Å; S15-V17 PolarHBondContact O-N 2.92Å; V17-L19 PolarHBondContact O-N 2.97Å; V17-T20 PolarHBondContact O-N 2.87Å; V17-L21 HydrophobicContact CG1-CD1 3.63Å; V17-L21 WeakPolarHBondContact O-CB 3.17Å; V17-L21 PolarHBondContact O-N 3.42Å |
| 18 | S | 77.8 | Confident | 72.7 | Confident | 43 Ų | 43 | 99.8 Ų | 99.8 | 30% | 0.301 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | R14 S15 L21 R22 | R14-S18 WeakPolarHBondContact O-CB 3.42Å; R14-S18 PolarHBondContact O-N 3.49Å; S15-S18 PolarHBondContact O-N 3.4Å; S18-L21 PolarHBondContact O-N 2.74Å; S18-R22 VanDerWaalsContact O-CB 3.31Å; S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 WeakPolarHBondContact O-CG 3.31Å; S18-R22 PolarHBondContact O-N 2.99Å; S18-R22 PolarHBondContact OG-NE 3.25Å |
| 19 | L | 74.6 | Confident | 72.2 | Confident | 107 Ų | 107 | 96.3 Ų | 96.3 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 178.2 | -174.7 | 64.5 | 0 | 0 | 0 | 111.7 | S15 A16 V17 R22 R23 | S15-L19 WeakPolarHBondContact O-CB 3.2Å; S15-L19 PolarHBondContact O-N 2.9Å; A16-L19 PolarHBondContact O-N 3.33Å; V17-L19 PolarHBondContact O-N 2.97Å; L19-R22 PolarHBondContact O-N 3.43Å; L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.47Å |
| 20 | T | 73.6 | Confident | 71.7 | Confident | 83 Ų | 83 | 95.6 Ų | 95.6 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | A16 V17 R23 N24 | A16-T20 WeakPolarHBondContact O-CB 3.38Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 PolarHBondContact O-OG1 3.45Å; V17-T20 PolarHBondContact O-N 2.87Å; T20-R23 PolarHBondContact O-N 3.04Å; T20-N24 WeakPolarHBondContact O-CB 3.13Å; T20-N24 PolarHBondContact O-N 3.42Å; T20-N24 PolarHBondContact O-ND2 3.24Å |
| 21 | L | 70.4 | Confident | 71.1 | Confident | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -45.7 | 173.8 | -86.3 | 153.1 | 0 | 0 | 0 | 111.5 | V17 S18 R23 N24 I25 | V17-L21 HydrophobicContact CG1-CD1 3.63Å; V17-L21 WeakPolarHBondContact O-CB 3.17Å; V17-L21 PolarHBondContact O-N 3.42Å; S18-L21 PolarHBondContact O-N 2.74Å; L21-R23 PolarHBondContact O-N 3.47Å; L21-N24 PolarHBondContact O-N 3.13Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 2.79Å; L21-I25 VanDerWaalsContact O-N 3.13Å |
| 22 | R | 71.4 | Confident | 70.3 | Confident | 182 Ų | 182 | 100.9 Ų | 100.9 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 178.8 | -75.5 | 176.2 | -174.1 | -159.7 | 0.3 | 113.3 | S18 L19 I25 | S18-R22 VanDerWaalsContact O-CB 3.31Å; S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 WeakPolarHBondContact O-CG 3.31Å; S18-R22 PolarHBondContact O-N 2.99Å; S18-R22 PolarHBondContact OG-NE 3.25Å; L19-R22 PolarHBondContact O-N 3.43Å; R22-I25 WeakPolarHBondContact O-CG1 3.39Å |
| 23 | R | 69.3 | Low | 69.3 | Low | 212 Ų | 212 | 101 Ų | 101 | 80% | 0.8 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.3 | -25.2 | 176.2 | -69.8 | -173.9 | 93.3 | -171.9 | 6.5 | 113.2 | L19 T20 L21 | L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.47Å; T20-R23 PolarHBondContact O-N 3.04Å; L21-R23 PolarHBondContact O-N 3.47Å |
| 24 | N | 65.9 | Low | 68.2 | Low | 69 Ų | 69 | 102.6 Ų | 102.6 | 37% | 0.369 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -94.6 | 2.8 | 179.4 | -73.1 | -78.3 | 0 | 0 | 0 | 114.2 | T20 L21 G26 I27 S28 | T20-N24 WeakPolarHBondContact O-CB 3.13Å; T20-N24 PolarHBondContact O-N 3.42Å; T20-N24 PolarHBondContact O-ND2 3.24Å; L21-N24 PolarHBondContact O-N 3.13Å; N24-G26 PolarHBondContact O-N 2.86Å; N24-G26 VanDerWaalsContact O-N 3.08Å; N24-I27 PolarHBondContact O-N 3.41Å; N24-S28 PolarHBondContact O-N 3.16Å; N24-S28 PolarHBondContact O-OG 3.07Å; N24-S28 VanDerWaalsContact O-OG 3.08Å |
| 25 | I | 62.5 | Low | 67.2 | Low | 100 Ų | 100 | 96.7 Ų | 96.7 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -53.5 | -32 | 177.6 | -60.4 | -176.2 | 0 | 0 | 0 | 111.9 | L21 R22 I27 S28 A29 | L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 2.79Å; L21-I25 VanDerWaalsContact O-N 3.13Å; R22-I25 WeakPolarHBondContact O-CG1 3.39Å; I25-I27 VanDerWaalsContact C-N 3.33Å; I25-I27 PolarHBondContact O-N 3.08Å; I25-S28 CarbonylContact O-C 3.5Å; I25-S28 WeakPolarHBondContact O-CB 3.39Å; I25-S28 PolarHBondContact O-N 3.34Å; I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 2.93Å |
| 26 | G | 62.6 | Low | 66.2 | Low | 57 Ų | 57 | 100.2 Ų | 100.2 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | N24 | N24-G26 PolarHBondContact O-N 2.86Å; N24-G26 VanDerWaalsContact O-N 3.08Å |
| 27 | I | 62.5 | Low | 65.4 | Low | 114 Ų | 114 | 104.5 Ų | 104.5 | 59% | 0.585 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.8 | -40.2 | 173.9 | -57.1 | 177.1 | 0 | 0 | 0 | 109.5 | N24 I25 A29 V30 V31 | N24-I27 PolarHBondContact O-N 3.41Å; I25-I27 VanDerWaalsContact C-N 3.33Å; I25-I27 PolarHBondContact O-N 3.08Å; I27-A29 PolarHBondContact O-N 3.08Å; I27-V30 PolarHBondContact O-N 2.79Å; I27-V30 VanDerWaalsContact O-N 3.16Å; I27-V31 PolarHBondContact O-N 2.76Å |
| 28 | S | 57.9 | Low | 64.5 | Low | 46 Ų | 46 | 103.4 Ų | 103.4 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.2 | -33.1 | 172.9 | -41 | 0 | 0 | 0 | 0 | 111.8 | N24 I25 V31 F32 | N24-S28 PolarHBondContact O-N 3.16Å; N24-S28 PolarHBondContact O-OG 3.07Å; N24-S28 VanDerWaalsContact O-OG 3.08Å; I25-S28 CarbonylContact O-C 3.5Å; I25-S28 WeakPolarHBondContact O-CB 3.39Å; I25-S28 PolarHBondContact O-N 3.34Å; S28-V31 PolarHBondContact O-N 2.73Å; S28-F32 VanDerWaalsContact O-CB 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.37Å; S28-F32 PolarHBondContact O-N 3.32Å |
| 29 | A | 62.2 | Low | 64.7 | Low | 38 Ų | 38 | 104.8 Ų | 104.8 | 31% | 0.314 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.6 | -34.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I25 I27 N33 | I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 2.93Å; I27-A29 PolarHBondContact O-N 3.08Å; A29-N33 WeakPolarHBondContact O-CB 3.2Å; A29-N33 PolarHBondContact O-N 3.26Å; A29-N33 PolarHBondContact O-ND2 2.8Å |
| 30 | V | 61.6 | Low | 65.3 | Low | 93 Ų | 93 | 104.2 Ų | 104.2 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.3 | -39.9 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | I27 K34 | I27-V30 PolarHBondContact O-N 2.79Å; I27-V30 VanDerWaalsContact O-N 3.16Å; V30-K34 PolarHBondContact O-N 2.96Å |
| 31 | V | 63.9 | Low | 65.9 | Low | 98 Ų | 98 | 106 Ų | 106 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.5 | -42 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | I27 S28 K34 A35 | I27-V31 PolarHBondContact O-N 2.76Å; S28-V31 PolarHBondContact O-N 2.73Å; V31-K34 PolarHBondContact O-N 3.19Å; V31-A35 WeakPolarHBondContact O-CB 3.29Å; V31-A35 PolarHBondContact O-N 3.31Å |
| 32 | F | 59.5 | Low | 66.7 | Low | 134 Ų | 134 | 106.1 Ų | 106.1 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.9 | -35.2 | 176.2 | -116.6 | -86.7 | 0 | 0 | 0 | 112.2 | S28 A35 K36 | S28-F32 VanDerWaalsContact O-CB 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.37Å; S28-F32 PolarHBondContact O-N 3.32Å; F32-A35 CarbonylContact O-C 3.53Å; F32-A35 PolarHBondContact O-N 3.05Å; F32-K36 HydrophobicContact CD1-CD 4.35Å; F32-K36 HydrophobicContact CD1-CG 4.26Å; F32-K36 VanDerWaalsContact O-CB 3.24Å; F32-K36 WeakPolarHBondContact O-CB 3.24Å; F32-K36 PolarHBondContact O-N 3.46Å |
| 33 | N | 59.3 | Low | 67.4 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.8 | -35.9 | 172.6 | -86.1 | -67 | 0 | 0 | 0 | 111.8 | A29 A35 | A29-N33 WeakPolarHBondContact O-CB 3.2Å; A29-N33 PolarHBondContact O-N 3.26Å; A29-N33 PolarHBondContact O-ND2 2.8Å; N33-A35 VanDerWaalsContact C-N 3.25Å; N33-A35 PolarHBondContact O-N 2.79Å |
| 34 | K | 59.3 | Low | 68.5 | Low | 151 Ų | 151 | 98 Ų | 98 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -30 | 168.5 | -84.5 | -169.4 | 174.6 | -159.8 | 0 | 112.9 | V30 V31 | V30-K34 PolarHBondContact O-N 2.96Å; V31-K34 PolarHBondContact O-N 3.19Å |
| 35 | A | 57.4 | Low | 69.8 | Low | 74 Ų | 74 | 101.3 Ų | 101.3 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -87.7 | -24.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V31 F32 N33 D37 | V31-A35 WeakPolarHBondContact O-CB 3.29Å; V31-A35 PolarHBondContact O-N 3.31Å; F32-A35 CarbonylContact O-C 3.53Å; F32-A35 PolarHBondContact O-N 3.05Å; N33-A35 VanDerWaalsContact C-N 3.25Å; N33-A35 PolarHBondContact O-N 2.79Å; A35-D37 VanDerWaalsContact C-N 3.26Å; A35-D37 PolarHBondContact O-N 3.18Å |
| 36 | K | 57.7 | Low | 71.2 | Confident | 150 Ų | 150 | 99.4 Ų | 99.4 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 46.3 | -178 | -95.4 | -171.1 | 163.2 | -172.2 | 0 | 113.1 | F32 | F32-K36 HydrophobicContact CD1-CD 4.35Å; F32-K36 HydrophobicContact CD1-CG 4.26Å; F32-K36 VanDerWaalsContact O-CB 3.24Å; F32-K36 WeakPolarHBondContact O-CB 3.24Å; F32-K36 PolarHBondContact O-N 3.46Å |
| 37 | D | 63.5 | Low | 72.7 | Confident | 144 Ų | 144 | 99.1 Ų | 99.1 | 77% | 0.77 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 86.9 | 180 | -44.4 | -50.5 | 0 | 0 | 0 | 111.7 | A35 D39 | A35-D37 VanDerWaalsContact C-N 3.26Å; A35-D37 PolarHBondContact O-N 3.18Å; D37-D39 PolarHBondContact O-N 3.13Å; D37-D39 VanDerWaalsContact O-N 3.13Å |
| 38 | L | 62 | Low | 74.2 | Confident | 51 Ų | 51 | 100.3 Ų | 100.3 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | trans | -42.6 | 125.9 | 150.5 | -83.1 | 160.8 | 0 | 0 | 0 | 107.2 | P40 Q42 K43 L46 | L38-P40 VanDerWaalsContact O-N 3.13Å; L38-Q42 HydrophobicContact CD2-CB 4.36Å; L38-K43 HydrophobicContact CB-CB 4.04Å; L38-L46 HydrophobicContact CD1-CD1 4.07Å; L38-L46 HydrophobicContact CD2-CD1 4.33Å | ||
| 39 | D | 82.6 | Confident | 75.9 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | trans | -39.6 | 125.4 | 171.7 | 167.8 | 6.9 | 0 | 0 | 0 | 107.6 | D37 I41 Q42 K43 | D37-D39 PolarHBondContact O-N 3.13Å; D37-D39 VanDerWaalsContact O-N 3.13Å; D39-I41 CarbonylContact O-C 3.53Å; D39-I41 PolarHBondContact O-N 3.22Å; D39-I41 PolarHBondContact OD1-N 3.2Å; D39-Q42 HydrophobicContact CB-CB 4.25Å; D39-Q42 HydrophobicContact CB-CG 3.98Å; D39-Q42 WeakPolarHBondContact O-CA 3.37Å; D39-Q42 WeakPolarHBondContact O-CB 3.32Å; D39-Q42 PolarHBondContact O-N 3.03Å; D39-K43 PolarHBondContact O-N 3.46Å | ||
| 40 | P | 86.3 | Confident | 77.4 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 61% | 0.61 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -44.4 | -34.5 | -176.6 | -32.2 | 35.1 | 0 | 0 | 0 | 113.4 | L38 L44 | L38-P40 VanDerWaalsContact O-N 3.13Å; P40-L44 WeakPolarHBondContact O-CB 3.4Å; P40-L44 VanDerWaalsContact O-CG 3.23Å; P40-L44 WeakPolarHBondContact O-CG 3.42Å; P40-L44 PolarHBondContact O-N 2.93Å |
| 41 | I | 86.9 | Confident | 79 | Confident | 122 Ų | 122 | 107 Ų | 107 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -46.9 | 176.1 | -63.3 | 168.8 | 0 | 0 | 0 | 111.9 | D39 K43 L44 F45 | D39-I41 CarbonylContact O-C 3.53Å; D39-I41 PolarHBondContact O-N 3.22Å; D39-I41 PolarHBondContact OD1-N 3.2Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 3.44Å; I41-L44 PolarHBondContact O-N 3.04Å; I41-F45 PolarHBondContact O-N 3.39Å |
| 42 | Q | 85.6 | Confident | 80.4 | Confident | 109 Ų | 109 | 109.2 Ų | 109.2 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 177.4 | -65.6 | -177.9 | 12.8 | 0 | 0 | 111.8 | L38 D39 F45 L46 | L38-Q42 HydrophobicContact CD2-CB 4.36Å; D39-Q42 HydrophobicContact CB-CB 4.25Å; D39-Q42 HydrophobicContact CB-CG 3.98Å; D39-Q42 WeakPolarHBondContact O-CA 3.37Å; D39-Q42 WeakPolarHBondContact O-CB 3.32Å; D39-Q42 PolarHBondContact O-N 3.03Å; Q42-F45 PolarHBondContact O-N 3.33Å; Q42-L46 WeakPolarHBondContact O-CG 3.46Å; Q42-L46 PolarHBondContact O-N 2.76Å |
| 43 | K | 87.8 | Confident | 81.9 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -50 | 173.8 | -177.5 | 175.9 | 176.7 | -177.8 | 0 | 111 | L38 D39 I41 F45 L46 D47 | L38-K43 HydrophobicContact CB-CB 4.04Å; D39-K43 PolarHBondContact O-N 3.46Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 3.44Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.78Å; K43-L46 PolarHBondContact O-N 3.26Å; K43-D47 WeakPolarHBondContact CG-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.25Å; K43-D47 VanDerWaalsContact O-CG 3.23Å; K43-D47 PolarHBondContact O-N 3.44Å |
| 44 | L | 91.3 | Very high | 83.4 | Confident | 110 Ų | 110 | 103.5 Ų | 103.5 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.5 | -42.3 | 176.6 | -75.9 | 167.9 | 0 | 0 | 0 | 111.9 | P40 I41 D47 K48 | P40-L44 WeakPolarHBondContact O-CB 3.4Å; P40-L44 VanDerWaalsContact O-CG 3.23Å; P40-L44 WeakPolarHBondContact O-CG 3.42Å; P40-L44 PolarHBondContact O-N 2.93Å; I41-L44 PolarHBondContact O-N 3.04Å; L44-D47 PolarHBondContact O-N 2.89Å; L44-K48 WeakPolarHBondContact O-CG 3.39Å; L44-K48 PolarHBondContact O-N 3.49Å |
| 45 | F | 92.5 | Very high | 85 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -48.5 | 177.6 | -175.8 | -105.1 | 0 | 0 | 0 | 112.2 | I41 Q42 K43 D47 K48 I49 | I41-F45 PolarHBondContact O-N 3.39Å; Q42-F45 PolarHBondContact O-N 3.33Å; K43-F45 VanDerWaalsContact C-N 3.27Å; K43-F45 PolarHBondContact O-N 2.78Å; F45-D47 VanDerWaalsContact C-N 3.33Å; F45-D47 PolarHBondContact O-N 2.89Å; F45-K48 PolarHBondContact O-N 3.35Å; F45-I49 HydrophobicContact CD1-CD1 3.72Å; F45-I49 HydrophobicContact CE1-CD1 3.27Å; F45-I49 HydrophobicContact CE1-CG1 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.44Å; F45-I49 HydrophobicContact CG-CD1 4.49Å; F45-I49 HydrophobicContact CZ-CD1 3.68Å; F45-I49 HydrophobicContact CZ-CG1 4.47Å; F45-I49 WeakPolarHBondContact O-CG1 3.42Å; F45-I49 PolarHBondContact O-N 3Å |
| 46 | L | 92.2 | Very high | 86.5 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 178.1 | -70.2 | 177.4 | 0 | 0 | 0 | 112.3 | L38 Q42 K43 I49 R50 | L38-L46 HydrophobicContact CD1-CD1 4.07Å; L38-L46 HydrophobicContact CD2-CD1 4.33Å; Q42-L46 WeakPolarHBondContact O-CG 3.46Å; Q42-L46 PolarHBondContact O-N 2.76Å; K43-L46 PolarHBondContact O-N 3.26Å; L46-I49 PolarHBondContact O-N 2.99Å; L46-R50 VanDerWaalsContact O-CG 3.32Å; L46-R50 WeakPolarHBondContact O-CG 3.48Å; L46-R50 PolarHBondContact O-N 2.99Å |
| 47 | D | 93.9 | Very high | 88 | Confident | 52 Ų | 52 | 99.7 Ų | 99.7 | 28% | 0.278 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 178.1 | -68.7 | -13.5 | 0 | 0 | 0 | 110.3 | K43 L44 F45 I49 R50 D51 | K43-D47 WeakPolarHBondContact CG-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.25Å; K43-D47 VanDerWaalsContact O-CG 3.23Å; K43-D47 PolarHBondContact O-N 3.44Å; L44-D47 PolarHBondContact O-N 2.89Å; F45-D47 VanDerWaalsContact C-N 3.33Å; F45-D47 PolarHBondContact O-N 2.89Å; D47-I49 PolarHBondContact O-N 3.22Å; D47-R50 PolarHBondContact O-N 3.42Å; D47-R50 IonicContact OD1-NH1 3.22Å; D47-R50 PolarHBondContact OD1-NH1 3.33Å; D47-D51 WeakPolarHBondContact O-CB 3.26Å; D47-D51 PolarHBondContact O-N 3.32Å |
| 48 | K | 94.3 | Very high | 89.1 | Confident | 138 Ų | 138 | 97.1 Ų | 97.1 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | 173.6 | -68.1 | -55.6 | 178.8 | -166.8 | 0 | 113.9 | L44 F45 Y52 | L44-K48 WeakPolarHBondContact O-CG 3.39Å; L44-K48 PolarHBondContact O-N 3.49Å; F45-K48 PolarHBondContact O-N 3.35Å; K48-Y52 WeakPolarHBondContact O-CB 3.49Å; K48-Y52 PolarHBondContact O-N 2.94Å |
| 49 | I | 94.6 | Very high | 90 | Very high | 85 Ų | 85 | 97.1 Ų | 97.1 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 173.6 | -71.9 | 171.8 | 0 | 0 | 0 | 110.7 | F45 L46 D47 Y52 S53 | F45-I49 HydrophobicContact CD1-CD1 3.72Å; F45-I49 HydrophobicContact CE1-CD1 3.27Å; F45-I49 HydrophobicContact CE1-CG1 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.44Å; F45-I49 HydrophobicContact CG-CD1 4.49Å; F45-I49 HydrophobicContact CZ-CD1 3.68Å; F45-I49 HydrophobicContact CZ-CG1 4.47Å; F45-I49 WeakPolarHBondContact O-CG1 3.42Å; F45-I49 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 2.99Å; D47-I49 PolarHBondContact O-N 3.22Å; I49-Y52 PolarHBondContact O-N 2.85Å; I49-S53 VanDerWaalsContact O-CB 3.26Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.27Å |
| 50 | R | 94.1 | Very high | 89.7 | Confident | 150 Ų | 150 | 97.4 Ų | 97.4 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 179.9 | -71.8 | 171.1 | -179.4 | 141.3 | -2.5 | 111.6 | L46 D47 S53 S54 | L46-R50 VanDerWaalsContact O-CG 3.32Å; L46-R50 WeakPolarHBondContact O-CG 3.48Å; L46-R50 PolarHBondContact O-N 2.99Å; D47-R50 PolarHBondContact O-N 3.42Å; D47-R50 IonicContact OD1-NH1 3.22Å; D47-R50 PolarHBondContact OD1-NH1 3.33Å; R50-S53 PolarHBondContact O-N 3.37Å; R50-S54 WeakPolarHBondContact O-CB 3.35Å; R50-S54 PolarHBondContact O-N 3.28Å |
| 51 | D | 93.9 | Very high | 89.3 | Confident | 84 Ų | 84 | 95.3 Ų | 95.3 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 176.7 | -73.3 | -9 | 0 | 0 | 0 | 110.6 | D47 S54 K55 | D47-D51 WeakPolarHBondContact O-CB 3.26Å; D47-D51 PolarHBondContact O-N 3.32Å; D51-S54 PolarHBondContact O-N 3.06Å; D51-K55 WeakPolarHBondContact O-CG 3.31Å; D51-K55 PolarHBondContact O-N 3.44Å |
| 52 | Y | 93.4 | Very high | 89.2 | Confident | 143 Ų | 143 | 93.5 Ų | 93.5 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 178.6 | 179.3 | -94.5 | 0 | 0 | 0 | 112.2 | K48 I49 S54 K55 S56 V63 | K48-Y52 WeakPolarHBondContact O-CB 3.49Å; K48-Y52 PolarHBondContact O-N 2.94Å; I49-Y52 PolarHBondContact O-N 2.85Å; Y52-S54 VanDerWaalsContact C-N 3.35Å; Y52-S54 PolarHBondContact O-N 3.4Å; Y52-K55 PolarHBondContact O-N 2.87Å; Y52-S56 VanDerWaalsContact O-CB 3.25Å; Y52-S56 WeakPolarHBondContact O-CB 3.23Å; Y52-S56 PolarHBondContact O-N 3Å; Y52-V63 HydrophobicContact CD2-CG1 4.45Å; Y52-V63 HydrophobicContact CD2-CG2 4.27Å; Y52-V63 HydrophobicContact CE2-CB 4.05Å; Y52-V63 HydrophobicContact CE2-CG1 4.37Å; Y52-V63 HydrophobicContact CE2-CG2 3.64Å |
| 53 | S | 91.4 | Very high | 89.1 | Confident | 55 Ų | 55 | 89.7 Ų | 89.7 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | I49 R50 S56 Q57 | I49-S53 VanDerWaalsContact O-CB 3.26Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.27Å; R50-S53 PolarHBondContact O-N 3.37Å; S53-S56 PolarHBondContact O-N 2.86Å; S53-Q57 WeakPolarHBondContact O-CG 3.47Å; S53-Q57 PolarHBondContact O-N 3.49Å |
| 54 | S | 91.6 | Very high | 88.8 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | R50 D51 Y52 S56 Q57 A58 | R50-S54 WeakPolarHBondContact O-CB 3.35Å; R50-S54 PolarHBondContact O-N 3.28Å; D51-S54 PolarHBondContact O-N 3.06Å; Y52-S54 VanDerWaalsContact C-N 3.35Å; Y52-S54 PolarHBondContact O-N 3.4Å; S54-S56 PolarHBondContact O-N 3.02Å; S54-Q57 PolarHBondContact O-N 3.43Å; S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 2.97Å |
| 55 | K | 91.6 | Very high | 88.3 | Confident | 91 Ų | 91 | 87 Ų | 87 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 177.6 | -71.7 | -178.5 | 169.6 | -158.2 | 0 | 112.6 | D51 Y52 A58 S59 V63 D64 | D51-K55 WeakPolarHBondContact O-CG 3.31Å; D51-K55 PolarHBondContact O-N 3.44Å; Y52-K55 PolarHBondContact O-N 2.87Å; K55-A58 PolarHBondContact O-N 2.96Å; K55-S59 VanDerWaalsContact O-CB 3.31Å; K55-S59 WeakPolarHBondContact O-CB 3.32Å; K55-S59 PolarHBondContact O-N 3.3Å; K55-S59 PolarHBondContact O-OG 3.48Å; K55-V63 HydrophobicContact CB-CG1 3.66Å; K55-V63 HydrophobicContact CB-CG2 4.47Å; K55-V63 HydrophobicContact CD-CG1 3.93Å; K55-V63 HydrophobicContact CG-CG1 4.45Å; K55-D64 IonicContact NZ-OD1 3.8Å; K55-D64 PolarHBondContact NZ-OD1 3.15Å; K55-D64 IonicContact NZ-OD2 3.46Å; K55-D64 PolarHBondContact NZ-OD2 2.61Å |
| 56 | S | 89.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | Y52 S53 S54 A58 S59 G60 V63 | Y52-S56 VanDerWaalsContact O-CB 3.25Å; Y52-S56 WeakPolarHBondContact O-CB 3.23Å; Y52-S56 PolarHBondContact O-N 3Å; S53-S56 PolarHBondContact O-N 2.86Å; S54-S56 PolarHBondContact O-N 3.02Å; S56-A58 PolarHBondContact O-N 3.32Å; S56-S59 PolarHBondContact O-N 3.18Å; S56-G60 PolarHBondContact O-N 3.22Å; S56-V63 VanDerWaalsContact CA-CG2 3.48Å |
| 57 | Q | 88.3 | Confident | 87.5 | Confident | 158 Ų | 158 | 84.9 Ų | 84.9 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 175.6 | -71.9 | -179.9 | -10.3 | 0 | 0 | 112.2 | S53 S54 | S53-Q57 WeakPolarHBondContact O-CG 3.47Å; S53-Q57 PolarHBondContact O-N 3.49Å; S54-Q57 PolarHBondContact O-N 3.43Å |
| 58 | A | 86 | Confident | 87.2 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 75% | 0.752 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.3 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S54 K55 S56 | S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 2.97Å; K55-A58 PolarHBondContact O-N 2.96Å; S56-A58 PolarHBondContact O-N 3.32Å |
| 59 | S | 82.6 | Confident | 87 | Confident | 51 Ų | 51 | 87 Ų | 87 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.1 | -25.7 | -175.3 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | K55 S56 G61 | K55-S59 VanDerWaalsContact O-CB 3.31Å; K55-S59 WeakPolarHBondContact O-CB 3.32Å; K55-S59 PolarHBondContact O-N 3.3Å; K55-S59 PolarHBondContact O-OG 3.48Å; S56-S59 PolarHBondContact O-N 3.18Å; S59-G61 PolarHBondContact O-N 2.98Å |
| 60 | G | 76.4 | Confident | 86.7 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 81% | 0.814 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 58.6 | 14.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S56 | S56-G60 PolarHBondContact O-N 3.22Š|
| 61 | G | 77.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | S | Bend | trans | 179.6 | -149.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S59 V63 | S59-G61 PolarHBondContact O-N 2.98Å; G61-V63 PolarHBondContact O-N 3.32Å |
| 62 | V | 82.9 | Confident | 86.6 | Confident | 84 Ų | 84 | 87.6 Ų | 87.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -62.5 | 122.5 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | A65 F69 | V62-A65 HydrophobicContact CB-CB 3.9Å; V62-A65 HydrophobicContact CG1-CB 4.05Å; V62-A65 VanDerWaalsContact O-CB 3.27Å; V62-A65 WeakPolarHBondContact O-CB 3.27Å; V62-A65 PolarHBondContact O-N 3.46Å; V62-F69 HydrophobicContact CB-CE1 4.27Å; V62-F69 HydrophobicContact CB-CZ 4.34Å; V62-F69 HydrophobicContact CG1-CE1 4.28Å; V62-F69 HydrophobicContact CG1-CE2 4.25Å; V62-F69 HydrophobicContact CG1-CZ 4.02Å; V62-F69 HydrophobicContact CG2-CE1 4.09Å; V62-F69 HydrophobicContact CG2-CZ 3.97Å |
| 63 | V | 85.3 | Confident | 86.5 | Confident | 28 Ų | 28 | 84.9 Ų | 84.9 | 17% | 0.17 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 135.1 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | Y52 K55 S56 G61 A65 | Y52-V63 HydrophobicContact CD2-CG1 4.45Å; Y52-V63 HydrophobicContact CD2-CG2 4.27Å; Y52-V63 HydrophobicContact CE2-CB 4.05Å; Y52-V63 HydrophobicContact CE2-CG1 4.37Å; Y52-V63 HydrophobicContact CE2-CG2 3.64Å; K55-V63 HydrophobicContact CB-CG1 3.66Å; K55-V63 HydrophobicContact CB-CG2 4.47Å; K55-V63 HydrophobicContact CD-CG1 3.93Å; K55-V63 HydrophobicContact CG-CG1 4.45Å; S56-V63 VanDerWaalsContact CA-CG2 3.48Å; G61-V63 PolarHBondContact O-N 3.32Å; V63-A65 PolarHBondContact O-N 3.18Å |
| 64 | D | 80.6 | Confident | 86.5 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 27 | 179.5 | -58 | -34.3 | 0 | 0 | 0 | 113.1 | K55 G66 | K55-D64 IonicContact NZ-OD1 3.8Å; K55-D64 PolarHBondContact NZ-OD1 3.15Å; K55-D64 IonicContact NZ-OD2 3.46Å; K55-D64 PolarHBondContact NZ-OD2 2.61Å; D64-G66 PolarHBondContact O-N 2.74Å |
| 65 | A | 80.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | trans | -68.9 | 103.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V62 V63 F69 | V62-A65 HydrophobicContact CB-CB 3.9Å; V62-A65 HydrophobicContact CG1-CB 4.05Å; V62-A65 VanDerWaalsContact O-CB 3.27Å; V62-A65 WeakPolarHBondContact O-CB 3.27Å; V62-A65 PolarHBondContact O-N 3.46Å; V63-A65 PolarHBondContact O-N 3.18Å; A65-F69 HydrophobicContact CB-CB 4.44Å; A65-F69 HydrophobicContact CB-CD1 3.92Å; A65-F69 HydrophobicContact CB-CG 4.29Å | ||
| 66 | G | 82.8 | Confident | 86.8 | Confident | 34 Ų | 34 | 87 Ų | 87 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | trans | -89.2 | -179.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D64 E68 F69 Q70 | D64-G66 PolarHBondContact O-N 2.74Å; G66-E68 PolarHBondContact O-N 3.08Å; G66-F69 WeakPolarHBondContact O-CB 3.34Å; G66-F69 PolarHBondContact O-N 3.04Å; G66-F69 VanDerWaalsContact O-N 3.08Å; G66-Q70 PolarHBondContact O-N 3.03Å | ||
| 67 | P | 85.3 | Confident | 86.9 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 78% | 0.779 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.8 | -32.7 | 176.1 | -24.7 | 34.2 | 0 | 0 | 0 | 113.6 | Q70 K71 | P67-Q70 PolarHBondContact O-N 3.49Å; P67-K71 PolarHBondContact O-N 2.87Å |
| 68 | E | 88.9 | Confident | 87.1 | Confident | 155 Ų | 155 | 81.9 Ų | 81.9 | 72% | 0.724 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 176.8 | -64.7 | -171.2 | 170.3 | 0 | 0 | 112.5 | G66 Q70 K71 N72 | G66-E68 PolarHBondContact O-N 3.08Å; E68-Q70 PolarHBondContact O-N 3.4Å; E68-K71 PolarHBondContact O-N 3.16Å; E68-N72 WeakPolarHBondContact O-CB 3.21Å; E68-N72 VanDerWaalsContact O-CG 3.28Å; E68-N72 PolarHBondContact O-N 3.45Å; E68-N72 PolarHBondContact O-OD1 3.03Å |
| 69 | F | 89.6 | Confident | 87.5 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.8 | 177.8 | -95.4 | 0 | 0 | 0 | 110.9 | V62 A65 G66 K71 N72 M73 | V62-F69 HydrophobicContact CB-CE1 4.27Å; V62-F69 HydrophobicContact CB-CZ 4.34Å; V62-F69 HydrophobicContact CG1-CE1 4.28Å; V62-F69 HydrophobicContact CG1-CE2 4.25Å; V62-F69 HydrophobicContact CG1-CZ 4.02Å; V62-F69 HydrophobicContact CG2-CE1 4.09Å; V62-F69 HydrophobicContact CG2-CZ 3.97Å; A65-F69 HydrophobicContact CB-CB 4.44Å; A65-F69 HydrophobicContact CB-CD1 3.92Å; A65-F69 HydrophobicContact CB-CG 4.29Å; G66-F69 WeakPolarHBondContact O-CB 3.34Å; G66-F69 PolarHBondContact O-N 3.04Å; G66-F69 VanDerWaalsContact O-N 3.08Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.02Å; F69-N72 PolarHBondContact O-N 3.13Å; F69-M73 HydrophobicContact CE1-CE 3.8Å; F69-M73 HydrophobicContact CE2-CE 4.3Å; F69-M73 HydrophobicContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact O-CB 3.29Å; F69-M73 WeakPolarHBondContact O-CB 3.46Å; F69-M73 PolarHBondContact O-N 2.77Å |
| 70 | Q | 87.4 | Confident | 87.9 | Confident | 116 Ų | 116 | 84.9 Ų | 84.9 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 178.8 | -172.6 | 60.1 | 36.9 | 0 | 0 | 112.2 | G66 P67 E68 S74 | G66-Q70 PolarHBondContact O-N 3.03Å; P67-Q70 PolarHBondContact O-N 3.49Å; E68-Q70 PolarHBondContact O-N 3.4Å; Q70-S74 WeakPolarHBondContact O-CB 3.37Å; Q70-S74 PolarHBondContact O-N 3.41Å; Q70-S74 PolarHBondContact O-OG 3.49Å |
| 71 | K | 92.9 | Very high | 88.6 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 55% | 0.548 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -53.3 | 174.4 | 179.9 | -179 | 169.6 | -174.2 | 0 | 110.9 | P67 E68 F69 M73 S74 E75 | P67-K71 PolarHBondContact O-N 2.87Å; E68-K71 PolarHBondContact O-N 3.16Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.02Å; K71-M73 VanDerWaalsContact C-N 3.3Å; K71-M73 PolarHBondContact O-N 3.37Å; K71-S74 PolarHBondContact O-N 3.21Å; K71-S74 VanDerWaalsContact O-N 3.09Å; K71-E75 WeakPolarHBondContact CE-OE1 3.45Å; K71-E75 IonicContact NZ-OE1 3.95Å; K71-E75 WeakPolarHBondContact O-CG 3.19Å; K71-E75 PolarHBondContact O-N 3.34Å |
| 72 | N | 93.1 | Very high | 89.2 | Confident | 89 Ų | 89 | 94 Ų | 94 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 179.6 | -68.4 | -2.4 | 0 | 0 | 0 | 111.6 | E68 F69 S74 E75 E76 | E68-N72 WeakPolarHBondContact O-CB 3.21Å; E68-N72 VanDerWaalsContact O-CG 3.28Å; E68-N72 PolarHBondContact O-N 3.45Å; E68-N72 PolarHBondContact O-OD1 3.03Å; F69-N72 PolarHBondContact O-N 3.13Å; N72-S74 VanDerWaalsContact C-N 3.32Å; N72-S74 PolarHBondContact O-N 3.08Å; N72-E75 PolarHBondContact O-N 2.94Å; N72-E76 WeakPolarHBondContact O-CG 3.5Å; N72-E76 PolarHBondContact O-N 3.46Å |
| 73 | M | 92.4 | Very high | 89.7 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 174.6 | -177.7 | 65.5 | 69.3 | 0 | 0 | 111.3 | F69 K71 E76 V77 | F69-M73 HydrophobicContact CE1-CE 3.8Å; F69-M73 HydrophobicContact CE2-CE 4.3Å; F69-M73 HydrophobicContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact CZ-CE 3.46Å; F69-M73 VanDerWaalsContact O-CB 3.29Å; F69-M73 WeakPolarHBondContact O-CB 3.46Å; F69-M73 PolarHBondContact O-N 2.77Å; K71-M73 VanDerWaalsContact C-N 3.3Å; K71-M73 PolarHBondContact O-N 3.37Å; M73-E76 PolarHBondContact O-N 3.42Å; M73-V77 WeakPolarHBondContact O-CB 3.37Å; M73-V77 WeakPolarHBondContact O-CG2 3.39Å; M73-V77 PolarHBondContact O-N 3.24Å; M73-V77 HydrophobicContact SD-CG2 4.45Å |
| 74 | S | 91.7 | Very high | 89.7 | Confident | 60 Ų | 60 | 103.2 Ų | 103.2 | 42% | 0.42 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | -179.3 | -54.7 | 0 | 0 | 0 | 0 | 112 | Q70 K71 N72 A78 | Q70-S74 WeakPolarHBondContact O-CB 3.37Å; Q70-S74 PolarHBondContact O-N 3.41Å; Q70-S74 PolarHBondContact O-OG 3.49Å; K71-S74 PolarHBondContact O-N 3.21Å; K71-S74 VanDerWaalsContact O-N 3.09Å; N72-S74 VanDerWaalsContact C-N 3.32Å; N72-S74 PolarHBondContact O-N 3.08Å; S74-A78 WeakPolarHBondContact O-CB 3.29Å; S74-A78 PolarHBondContact O-N 2.95Å |
| 75 | E | 95.5 | Very high | 89.9 | Confident | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 176.3 | -72.3 | 177.8 | -175.2 | 0 | 0 | 112.1 | K71 N72 A78 K79 | K71-E75 WeakPolarHBondContact CE-OE1 3.45Å; K71-E75 IonicContact NZ-OE1 3.95Å; K71-E75 WeakPolarHBondContact O-CG 3.19Å; K71-E75 PolarHBondContact O-N 3.34Å; N72-E75 PolarHBondContact O-N 2.94Å; E75-A78 PolarHBondContact O-N 2.95Å; E75-K79 PolarHBondContact O-N 3.09Å |
| 76 | E | 94.1 | Very high | 89.8 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 176.9 | -71 | -62.4 | 163 | 0 | 0 | 111.7 | N72 M73 A78 K79 L80 | N72-E76 WeakPolarHBondContact O-CG 3.5Å; N72-E76 PolarHBondContact O-N 3.46Å; M73-E76 PolarHBondContact O-N 3.42Å; E76-A78 PolarHBondContact O-N 3.31Å; E76-K79 WeakPolarHBondContact O-CB 3.41Å; E76-K79 PolarHBondContact O-N 2.96Å; E76-L80 WeakPolarHBondContact O-CG 3.43Å; E76-L80 PolarHBondContact O-N 3.36Å |
| 77 | V | 91.8 | Very high | 89.7 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 38% | 0.376 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 174.3 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | M73 K79 L80 Q81 | M73-V77 WeakPolarHBondContact O-CB 3.37Å; M73-V77 WeakPolarHBondContact O-CG2 3.39Å; M73-V77 PolarHBondContact O-N 3.24Å; M73-V77 HydrophobicContact SD-CG2 4.45Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.47Å; V77-L80 PolarHBondContact O-N 3.44Å; V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.33Å |
| 78 | A | 92.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 99.8 Ų | 99.8 | 26% | 0.264 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S74 E75 E76 Q81 R82 | S74-A78 WeakPolarHBondContact O-CB 3.29Å; S74-A78 PolarHBondContact O-N 2.95Å; E75-A78 PolarHBondContact O-N 2.95Å; E76-A78 PolarHBondContact O-N 3.31Å; A78-Q81 PolarHBondContact O-N 3.32Å; A78-R82 WeakPolarHBondContact O-CG 3.21Å; A78-R82 PolarHBondContact O-N 2.91Å; A78-R82 VanDerWaalsContact O-N 3.07Å |
| 79 | K | 94.5 | Very high | 89.3 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 173.9 | -177.2 | -177.2 | 176.8 | -174.4 | 0 | 111.5 | E75 E76 V77 Q81 R82 L83 | E75-K79 PolarHBondContact O-N 3.09Å; E76-K79 WeakPolarHBondContact O-CB 3.41Å; E76-K79 PolarHBondContact O-N 2.96Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.47Å; K79-Q81 PolarHBondContact O-N 3.02Å; K79-R82 PolarHBondContact O-N 3.42Å; K79-L83 HydrophobicContact CG-CD1 4.31Å; K79-L83 WeakPolarHBondContact O-CG 3.42Å; K79-L83 PolarHBondContact O-N 3.18Å; K79-L83 VanDerWaalsContact O-N 3.13Å |
| 80 | L | 91.4 | Very high | 89.2 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 176.7 | -69.9 | 172.5 | 0 | 0 | 0 | 111.7 | E76 V77 R82 L83 Y84 | E76-L80 WeakPolarHBondContact O-CG 3.43Å; E76-L80 PolarHBondContact O-N 3.36Å; V77-L80 PolarHBondContact O-N 3.44Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 2.94Å; L80-L83 PolarHBondContact O-N 3.13Å; L80-Y84 HydrophobicContact CD2-CD2 4.08Å; L80-Y84 HydrophobicContact CD2-CE2 3.9Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.49Å |
| 81 | Q | 90.3 | Very high | 89.1 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62 | -35.3 | 176.9 | -72.4 | 175.3 | -14.7 | 0 | 0 | 112.7 | V77 A78 K79 G85 G86 | V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.33Å; A78-Q81 PolarHBondContact O-N 3.32Å; K79-Q81 PolarHBondContact O-N 3.02Å; Q81-G85 CarbonylContact O-C 3.16Å; Q81-G85 VanDerWaalsContact O-CA 3.24Å; Q81-G85 WeakPolarHBondContact O-CA 3.45Å; Q81-G85 PolarHBondContact O-N 3.45Å; Q81-G86 PolarHBondContact O-N 2.96Å |
| 82 | R | 90.6 | Very high | 88.9 | Confident | 211 Ų | 211 | 107.6 Ų | 107.6 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.6 | -37.9 | 174.8 | -74.4 | 175.6 | -179.2 | 141.2 | 0.3 | 112.8 | A78 K79 L80 | A78-R82 WeakPolarHBondContact O-CG 3.21Å; A78-R82 PolarHBondContact O-N 2.91Å; A78-R82 VanDerWaalsContact O-N 3.07Å; K79-R82 PolarHBondContact O-N 3.42Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 2.94Å |
| 83 | L | 92.4 | Very high | 88.6 | Confident | 116 Ų | 116 | 107.1 Ų | 107.1 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81.2 | -37.8 | -176.1 | -68.5 | 176 | 0 | 0 | 0 | 112.9 | K79 L80 | K79-L83 HydrophobicContact CG-CD1 4.31Å; K79-L83 WeakPolarHBondContact O-CG 3.42Å; K79-L83 PolarHBondContact O-N 3.18Å; K79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 3.13Å |
| 84 | Y | 87.1 | Confident | 88.3 | Confident | 191 Ų | 191 | 110.7 Ų | 110.7 | 75% | 0.749 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -114.1 | -0.4 | -169.2 | -60.9 | -71.4 | 0 | 0 | 0 | 113.8 | L80 | L80-Y84 HydrophobicContact CD2-CD2 4.08Å; L80-Y84 HydrophobicContact CD2-CE2 3.9Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.49Å |
| 85 | G | 83.1 | Confident | 88.1 | Confident | 45 Ų | 45 | 114.1 Ų | 114.1 | 46% | 0.464 | 59% | 0.593 | S | S | . | * | trans | 93.9 | 135.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q81 G87 | Q81-G85 CarbonylContact O-C 3.16Å; Q81-G85 VanDerWaalsContact O-CA 3.24Å; Q81-G85 WeakPolarHBondContact O-CA 3.45Å; Q81-G85 PolarHBondContact O-N 3.45Å; G85-G87 PolarHBondContact O-N 3.36Å | ||
| 86 | G | 79.2 | Confident | 87.6 | Confident | 68 Ų | 68 | 118.7 Ų | 118.7 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | trans | -93.2 | 90.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | Q81 | Q81-G86 PolarHBondContact O-N 2.96Š| ||
| 87 | G | 81.1 | Confident | 87.2 | Confident | 55 Ų | 55 | 122.4 Ų | 122.4 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -131.9 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G85 L89 | G85-G87 PolarHBondContact O-N 3.36Å; G87-L89 PolarHBondContact O-N 2.95Å; G87-L89 VanDerWaalsContact O-N 3.13Å |
| 88 | D | 83 | Confident | 86.8 | Confident | 80 Ų | 80 | 125 Ų | 125 | 43% | 0.428 | 65% | 0.647 | S | S | . | * | trans | -71.2 | 105.3 | 170.9 | -175.2 | -1.8 | 0 | 0 | 0 | 109.3 | N90 K91 | D88-N90 PolarHBondContact O-N 3.23Å; D88-N90 VanDerWaalsContact O-N 3.16Å; D88-N90 WeakPolarHBondContact OD1-CB 3.49Å; D88-N90 PolarHBondContact OD1-N 3.25Å; D88-N90 PolarHBondContact OD1-ND2 3.07Å; D88-N90 VanDerWaalsContact OD1-ND2 3.15Å; D88-K91 HydrophobicContact CB-CB 4.31Å; D88-K91 HydrophobicContact CB-CD 4.44Å; D88-K91 HydrophobicContact CB-CG 4.45Å; D88-K91 PolarHBondContact O-N 2.95Å; D88-K91 VanDerWaalsContact O-N 3.08Å; D88-K91 VanDerWaalsContact O-O 3.13Å; D88-K91 WeakPolarHBondContact OD2-CD 3.24Å; D88-K91 WeakPolarHBondContact OD2-CE 3.44Å; D88-K91 WeakPolarHBondContact OD2-CG 3.45Å; D88-K91 IonicContact OD2-NZ 2.74Å | ||
| 89 | L | 81.9 | Confident | 86.4 | Confident | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -12.9 | -179.4 | -58.1 | -179.7 | 0 | 0 | 0 | 113.1 | G87 K91 | G87-L89 PolarHBondContact O-N 2.95Å; G87-L89 VanDerWaalsContact O-N 3.13Å; L89-K91 VanDerWaalsContact C-N 3.35Å |
| 90 | N | 86.7 | Confident | 85.8 | Confident | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -8.4 | 176.1 | -54.5 | -68.3 | 0 | 0 | 0 | 112.6 | D88 | D88-N90 PolarHBondContact O-N 3.23Å; D88-N90 VanDerWaalsContact O-N 3.16Å; D88-N90 WeakPolarHBondContact OD1-CB 3.49Å; D88-N90 PolarHBondContact OD1-N 3.25Å; D88-N90 PolarHBondContact OD1-ND2 3.07Å; D88-N90 VanDerWaalsContact OD1-ND2 3.15Å |
| 91 | K | 87.1 | Confident | 85.1 | Confident | 153 Ų | 153 | 136.9 Ų | 136.9 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -117.5 | 134.7 | -178.2 | -67.8 | -178.1 | -172.6 | 174.7 | 0 | 110.4 | D88 L89 | D88-K91 HydrophobicContact CB-CB 4.31Å; D88-K91 HydrophobicContact CB-CD 4.44Å; D88-K91 HydrophobicContact CB-CG 4.45Å; D88-K91 PolarHBondContact O-N 2.95Å; D88-K91 VanDerWaalsContact O-N 3.08Å; D88-K91 VanDerWaalsContact O-O 3.13Å; D88-K91 WeakPolarHBondContact OD2-CD 3.24Å; D88-K91 WeakPolarHBondContact OD2-CE 3.44Å; D88-K91 WeakPolarHBondContact OD2-CG 3.45Å; D88-K91 IonicContact OD2-NZ 2.74Å; L89-K91 VanDerWaalsContact C-N 3.35Å |
| 92 | F | 86.9 | Confident | 84.6 | Confident | 173 Ų | 173 | 140.2 Ų | 140.2 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.6 | 173.3 | -165.8 | -101.2 | 0 | 0 | 0 | 109.9 | F95 | F92-F95 HydrophobicContact CD1-CE2 4.47Å; F92-F95 HydrophobicContact CE1-CD2 4.26Å; F92-F95 AromaticContact CE1-CE2 3.6Å; F92-F95 HydrophobicContact CE1-CE2 3.6Å; F92-F95 AromaticContact CZ-CE2 3.91Å; F92-F95 HydrophobicContact CZ-CE2 3.91Å |
| 93 | P | 87.6 | Confident | 83.9 | Confident | 78 Ų | 78 | 137.3 Ų | 137.3 | 51% | 0.506 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 143.2 | -176.9 | 25.6 | -33.2 | 0 | 0 | 0 | 112.5 | F95 | P93-F95 HydrophobicContact CG-CE2 3.9Å; P93-F95 HydrophobicContact CG-CZ 3.89Å; P93-F95 WeakPolarHBondContact O-CD2 2.89Å; P93-F95 WeakPolarHBondContact O-CE2 3.38Å |
| 94 | D | 86.1 | Confident | 83.1 | Confident | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 120.3 | 170.6 | -67.9 | -41 | 0 | 0 | 0 | 110 | ||
| 95 | F | 87.6 | Confident | 82.1 | Confident | 132 Ų | 132 | 138.8 Ų | 138.8 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 122.5 | 176.8 | -65.9 | -87.1 | 0 | 0 | 0 | 110.3 | F92 P93 F97 | F92-F95 HydrophobicContact CD1-CE2 4.47Å; F92-F95 HydrophobicContact CE1-CD2 4.26Å; F92-F95 AromaticContact CE1-CE2 3.6Å; F92-F95 HydrophobicContact CE1-CE2 3.6Å; F92-F95 AromaticContact CZ-CE2 3.91Å; F92-F95 HydrophobicContact CZ-CE2 3.91Å; P93-F95 HydrophobicContact CG-CE2 3.9Å; P93-F95 HydrophobicContact CG-CZ 3.89Å; P93-F95 WeakPolarHBondContact O-CD2 2.89Å; P93-F95 WeakPolarHBondContact O-CE2 3.38Å; F95-F97 HydrophobicContact CB-CE2 3.77Å; F95-F97 HydrophobicContact CB-CZ 3.86Å; F95-F97 HydrophobicContact CG-CZ 4.46Å |
| 96 | K | 85.8 | Confident | 81.4 | Confident | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -109.5 | 116.3 | 167.3 | -65.5 | -172.1 | -178.1 | -178.2 | 0 | 108.9 | ||||
| 97 | F | 86 | Confident | 80.3 | Confident | 183 Ų | 183 | 151.2 Ų | 151.2 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -91 | 116.2 | 175.8 | -59.3 | -81.4 | 0 | 0 | 0 | 108.3 | F95 | F95-F97 HydrophobicContact CB-CE2 3.77Å; F95-F97 HydrophobicContact CB-CZ 3.86Å; F95-F97 HydrophobicContact CG-CZ 4.46Å |
| 98 | S | 83.3 | Confident | 80.3 | Confident | 116 Ų | 116 | 156.1 Ų | 156.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 137.5 | 169.9 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 99 | E | 82.1 | Confident | 80.1 | Confident | 187 Ų | 187 | 160.1 Ų | 160.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.2 | 175.9 | -69.1 | 178.6 | 177.3 | 0 | 0 | 110.9 | K101 | E99-K101 PolarHBondContact O-N 3.34Š|
| 100 | V | 82.3 | Confident | 80 | Confident | 107 Ų | 107 | 159.9 Ų | 159.9 | 65% | 0.648 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68 | 120.4 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | F102 | V100-F102 HydrophobicContact CB-CE2 4.37Å; V100-F102 HydrophobicContact CB-CZ 4.42Å; V100-F102 HydrophobicContact CG1-CE1 4.34Å; V100-F102 HydrophobicContact CG1-CE2 4.5Å; V100-F102 HydrophobicContact CG1-CZ 4.29Å; V100-F102 PolarHBondContact O-N 3.3Å |
| 101 | K | 77.1 | Confident | 79.7 | Confident | 193 Ų | 193 | 160.3 Ų | 160.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -76.8 | 112.8 | 170 | -65.2 | -175.2 | -179.3 | -179 | 0 | 108 | E99 | E99-K101 PolarHBondContact O-N 3.34Š| ||
| 102 | F | 79 | Confident | 79.2 | Confident | 180 Ų | 180 | 160.8 Ų | 160.8 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 116.9 | 172 | -66.1 | -81.2 | 0 | 0 | 0 | 108.5 | V100 E104 | V100-F102 HydrophobicContact CB-CE2 4.37Å; V100-F102 HydrophobicContact CB-CZ 4.42Å; V100-F102 HydrophobicContact CG1-CE1 4.34Å; V100-F102 HydrophobicContact CG1-CE2 4.5Å; V100-F102 HydrophobicContact CG1-CZ 4.29Å; V100-F102 PolarHBondContact O-N 3.3Å; F102-E104 PolarHBondContact O-N 3.46Å | ||
| 103 | D | 77.5 | Confident | 78.7 | Confident | 150 Ų | 150 | 159.9 Ų | 159.9 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -77.8 | 116.1 | 167.2 | -66.7 | -32 | 0 | 0 | 0 | 107.7 | V105 | D103-V105 PolarHBondContact O-N 3.08Å; D103-V105 VanDerWaalsContact O-N 3.08Å | ||
| 104 | E | 74.9 | Confident | 78 | Confident | 194 Ų | 194 | 165.8 Ų | 165.8 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -63.4 | 110.4 | 175.5 | -74.1 | -174.5 | 161.8 | 0 | 0 | 109.2 | F102 A106 | F102-E104 PolarHBondContact O-N 3.46Å; E104-A106 PolarHBondContact O-N 3.38Å | ||
| 105 | V | 66 | Low | 77.4 | Confident | 144 Ų | 144 | 166.2 Ų | 166.2 | 87% | 0.873 | 83% | 0.831 | S | S | * | * | trans | -69.2 | 106.4 | 171.3 | -175 | 0 | 0 | 0 | 0 | 107.2 | D103 K107 | D103-V105 PolarHBondContact O-N 3.08Å; D103-V105 VanDerWaalsContact O-N 3.08Å; V105-K107 PolarHBondContact O-N 3.06Å | ||
| 106 | A | 67.4 | Low | 76.6 | Confident | 95 Ų | 95 | 169.1 Ų | 169.1 | 79% | 0.785 | 85% | 0.852 | S | S | * | * | trans | -53.3 | 131.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E104 | E104-A106 PolarHBondContact O-N 3.38Š| ||
| 107 | K | 57.6 | Low | 75.7 | Confident | 279 Ų | 279 | 166.2 Ų | 166.2 | 100% | 1.213 | 85% | 0.849 | S | S | * | * | trans | -78.4 | 0 | -174.3 | -158.4 | -177.8 | -172 | -178.5 | 0 | 112.5 | V105 | V105-K107 PolarHBondContact O-N 3.06Š|
Retrieved 107 of 107 residues in 404.9 ms
(Link to these results)