| 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 | A | 37.8 | Very low | 48.8 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 100% | 1.207 | 82% | 0.821 | S | S | * | * | 0 | 107.3 | 0 | 0 | 0 | 0 | 0 | 0 | 107.6 | S3 | A1-S3 PolarHBondContact O-N 3.32Š| |||
| 2 | V | 41.5 | Very low | 49.1 | Very low | 141 Ų | 141 | 138 Ų | 138 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 105.1 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | V4 | V2-V4 PolarHBondContact O-N 3.14Å; V2-V4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | S | 48.3 | Very low | 49.8 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -64.1 | 108.9 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | A1 A5 | A1-S3 PolarHBondContact O-N 3.32Å; S3-A5 PolarHBondContact O-N 2.88Å; S3-A5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | V | 51.9 | Low | 50.6 | Low | 139 Ų | 139 | 135.1 Ų | 135.1 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -75.7 | 100.2 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 107 | V2 R6 | V2-V4 PolarHBondContact O-N 3.14Å; V2-V4 VanDerWaalsContact O-N 3.13Å; V4-R6 PolarHBondContact O-N 2.89Å | ||
| 5 | A | 50.1 | Low | 51.5 | Low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -63.3 | 122.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S3 M7 | S3-A5 PolarHBondContact O-N 2.88Å; S3-A5 VanDerWaalsContact O-N 3.12Å; A5-M7 PolarHBondContact O-N 3.04Å | ||
| 6 | R | 49.4 | Very low | 52.6 | Low | 236 Ų | 236 | 132.5 Ų | 132.5 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 104.9 | 172.4 | 178.6 | 165.9 | 162.4 | 152.5 | -7.1 | 108.1 | V4 K8 | V4-R6 PolarHBondContact O-N 2.89Å; R6-K8 PolarHBondContact O-N 3.22Å | ||
| 7 | M | 52.9 | Low | 53.8 | Low | 185 Ų | 185 | 130.1 Ų | 130.1 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -62.5 | 108.1 | 172.8 | -65.2 | -172 | -173.5 | 0 | 0 | 108.6 | A5 G9 | A5-M7 PolarHBondContact O-N 3.04Å; M7-G9 PolarHBondContact O-N 3.1Å; M7-G9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | K | 51.6 | Low | 55.6 | Low | 178 Ų | 178 | 126.2 Ų | 126.2 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | trans | -75.6 | 93.2 | 166 | -173.6 | 94.6 | 170.1 | -168.6 | 0 | 106 | R6 D10 | R6-K8 PolarHBondContact O-N 3.22Å; K8-D10 PolarHBondContact O-N 3.25Å | ||
| 9 | G | 44.6 | Very low | 57.3 | Low | 61 Ų | 61 | 124.9 Ų | 124.9 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | -75.7 | 100.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | M7 T11 | M7-G9 PolarHBondContact O-N 3.1Å; M7-G9 VanDerWaalsContact O-N 3.15Å; G9-T11 PolarHBondContact O-N 3.1Å; G9-T11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | D | 48.6 | Very low | 59 | Low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -78.8 | 80 | 159.8 | -70.3 | -33.5 | 0 | 0 | 0 | 107.4 | K8 | K8-D10 PolarHBondContact O-N 3.25Š| ||
| 11 | T | 60.3 | Low | 60.6 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | trans | -73.2 | 125.3 | 169.5 | -34.2 | 0 | 0 | 0 | 0 | 107.5 | G9 V13 | G9-T11 PolarHBondContact O-N 3.1Å; G9-T11 VanDerWaalsContact O-N 3.11Å; T11-V13 PolarHBondContact O-N 3.36Å | ||
| 12 | P | 52.6 | Low | 63.2 | Low | 119 Ų | 119 | 115 Ų | 115 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -62.4 | 108.5 | 169.8 | 24.6 | -29.9 | 0 | 0 | 0 | 107.6 | N14 | P12-N14 PolarHBondContact O-N 3.06Š| ||
| 13 | V | 57.9 | Low | 65.8 | Low | 118 Ų | 118 | 116.6 Ų | 116.6 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | trans | -64.2 | 100.4 | 172.8 | 165.9 | 0 | 0 | 0 | 0 | 106.8 | T11 S15 | T11-V13 PolarHBondContact O-N 3.36Å; V13-S15 PolarHBondContact O-N 3.22Å; V13-S15 PolarHBondContact O-OG 2.97Å | ||
| 14 | N | 61.3 | Low | 68 | Low | 118 Ų | 118 | 119 Ų | 119 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | trans | -56.9 | 104.4 | 165.4 | -177.2 | 17.5 | 0 | 0 | 0 | 107.3 | P12 T16 | P12-N14 PolarHBondContact O-N 3.06Å; N14-T16 PolarHBondContact O-N 3.2Å | ||
| 15 | S | 63.8 | Low | 70.1 | Confident | 107 Ų | 107 | 116.5 Ų | 116.5 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 22.4 | -161.1 | -64.2 | 0 | 0 | 0 | 0 | 114.4 | V13 | V13-S15 PolarHBondContact O-N 3.22Å; V13-S15 PolarHBondContact O-OG 2.97Å |
| 16 | T | 69.6 | Low | 72.3 | Confident | 121 Ų | 121 | 116.1 Ų | 116.1 | 74% | 0.742 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.8 | 37.1 | 174 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | N14 | N14-T16 PolarHBondContact O-N 3.2Š|
| 17 | M | 71.6 | Confident | 74.6 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | trans | -84 | 119.2 | 171.1 | -138.5 | 157.6 | 84.8 | 0 | 0 | 110.2 | Q21 A22 L25 | M17-Q21 HydrophobicContact CG-CB 3.92Å; M17-A22 HydrophobicContact CE-CB 4.32Å; M17-L25 HydrophobicContact CE-CD2 3.77Å | ||
| 18 | S | 86.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 105.2 Ų | 105.2 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | trans | -61.1 | 149 | 179.1 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | G20 Q21 A22 | S18-G20 PolarHBondContact O-N 3.07Å; S18-G20 VanDerWaalsContact O-N 3.09Å; S18-Q21 PolarHBondContact O-N 3.5Å; S18-Q21 VanDerWaalsContact OG-CG 3.31Å; S18-Q21 WeakPolarHBondContact OG-CG 3.48Å; S18-Q21 PolarHBondContact OG-N 3.49Å; S18-Q21 PolarHBondContact OG-OE1 3.25Å; S18-A22 PolarHBondContact O-N 2.81Å | ||
| 19 | V | 88.9 | Confident | 78.9 | Confident | 102 Ų | 102 | 100.8 Ų | 100.8 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54 | -34.3 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | R23 | V19-R23 WeakPolarHBondContact O-CG 3.09Å; V19-R23 PolarHBondContact O-N 3.13Å; V19-R23 VanDerWaalsContact O-N 3.07Å |
| 20 | G | 91.4 | Very high | 81.4 | Confident | 43 Ų | 43 | 103.5 Ų | 103.5 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S18 K24 | S18-G20 PolarHBondContact O-N 3.07Å; S18-G20 VanDerWaalsContact O-N 3.09Å; G20-K24 WeakPolarHBondContact O-CG 3.38Å; G20-K24 PolarHBondContact O-N 2.83Å |
| 21 | Q | 92.3 | Very high | 83.7 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -41.3 | 175.6 | -73.6 | 164.9 | -55 | 0 | 0 | 111.8 | M17 S18 R23 K24 L25 | M17-Q21 HydrophobicContact CG-CB 3.92Å; S18-Q21 PolarHBondContact O-N 3.5Å; S18-Q21 VanDerWaalsContact OG-CG 3.31Å; S18-Q21 WeakPolarHBondContact OG-CG 3.48Å; S18-Q21 PolarHBondContact OG-N 3.49Å; S18-Q21 PolarHBondContact OG-OE1 3.25Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.87Å; Q21-K24 PolarHBondContact O-N 3.11Å; Q21-L25 PolarHBondContact O-N 2.88Å |
| 22 | A | 92.7 | Very high | 85.4 | Confident | 38 Ų | 38 | 100 Ų | 100 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M17 S18 L25 V26 | M17-A22 HydrophobicContact CE-CB 4.32Å; S18-A22 PolarHBondContact O-N 2.81Å; A22-L25 PolarHBondContact O-N 3.15Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3.12Å |
| 23 | R | 94.7 | Very high | 87.5 | Confident | 174 Ų | 174 | 97.7 Ų | 97.7 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 175.6 | -72.9 | 175.8 | -171.9 | -80 | -0 | 112.3 | V19 Q21 L25 V26 E27 | V19-R23 WeakPolarHBondContact O-CG 3.09Å; V19-R23 PolarHBondContact O-N 3.13Å; V19-R23 VanDerWaalsContact O-N 3.07Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 2.87Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 3.42Å; R23-V26 PolarHBondContact O-N 3.12Å; R23-E27 WeakPolarHBondContact O-CG 3.45Å; R23-E27 PolarHBondContact O-N 3.44Å |
| 24 | K | 95.5 | Very high | 89.3 | Confident | 166 Ų | 166 | 96.4 Ų | 96.4 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.5 | -42.9 | 176.6 | -72.6 | -178.6 | 179.2 | -174.9 | 0 | 111.9 | G20 Q21 E27 Q28 | G20-K24 WeakPolarHBondContact O-CG 3.38Å; G20-K24 PolarHBondContact O-N 2.83Å; Q21-K24 PolarHBondContact O-N 3.11Å; K24-E27 PolarHBondContact O-N 2.99Å; K24-Q28 PolarHBondContact O-N 2.92Å |
| 25 | L | 95.7 | Very high | 90.9 | Very high | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.7 | -179.2 | 62.3 | 0 | 0 | 0 | 111.8 | M17 Q21 A22 R23 E27 Q28 L29 | M17-L25 HydrophobicContact CE-CD2 3.77Å; Q21-L25 PolarHBondContact O-N 2.88Å; A22-L25 PolarHBondContact O-N 3.15Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 3.42Å; L25-E27 VanDerWaalsContact C-N 3.35Å; L25-E27 PolarHBondContact O-N 3.48Å; L25-Q28 PolarHBondContact O-N 3.13Å; L25-L29 HydrophobicContact CD1-CD1 4.32Å; L25-L29 HydrophobicContact CD1-CG 4.25Å; L25-L29 HydrophobicContact CG-CD1 4.01Å; L25-L29 HydrophobicContact CG-CG 4.38Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.5Å |
| 26 | V | 96.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.3 | 168 | 0 | 0 | 0 | 0 | 111.5 | A22 R23 Q28 L29 K30 | A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3.12Å; R23-V26 PolarHBondContact O-N 3.12Å; V26-Q28 VanDerWaalsContact C-N 3.34Å; V26-Q28 PolarHBondContact O-N 3.36Å; V26-L29 PolarHBondContact O-N 2.91Å; V26-K30 HydrophobicContact CG1-CD 4.39Å; V26-K30 WeakPolarHBondContact O-CG 3.15Å; V26-K30 PolarHBondContact O-N 3.26Å |
| 27 | E | 97.3 | Very high | 93.7 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.7 | -64.6 | -47.3 | 125.4 | 0 | 0 | 111.9 | R23 K24 L25 K30 I31 | R23-E27 WeakPolarHBondContact O-CG 3.45Å; R23-E27 PolarHBondContact O-N 3.44Å; K24-E27 PolarHBondContact O-N 2.99Å; L25-E27 VanDerWaalsContact C-N 3.35Å; L25-E27 PolarHBondContact O-N 3.48Å; E27-K30 PolarHBondContact O-N 3.3Å; E27-K30 IonicContact OE1-NZ 3.47Å; E27-K30 PolarHBondContact OE1-NZ 3.35Å; E27-K30 IonicContact OE2-NZ 2.88Å; E27-K30 PolarHBondContact OE2-NZ 3.42Å; E27-I31 WeakPolarHBondContact O-CG1 3.32Å; E27-I31 PolarHBondContact O-N 3.42Å |
| 28 | Q | 97.4 | Very high | 94.9 | Very high | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 174 | -179.3 | 60 | 26.1 | 0 | 0 | 112.1 | K24 L25 V26 K30 I31 E32 | K24-Q28 PolarHBondContact O-N 2.92Å; L25-Q28 PolarHBondContact O-N 3.13Å; V26-Q28 VanDerWaalsContact C-N 3.34Å; V26-Q28 PolarHBondContact O-N 3.36Å; Q28-K30 VanDerWaalsContact C-N 3.28Å; Q28-K30 PolarHBondContact O-N 3.15Å; Q28-I31 WeakPolarHBondContact O-CB 3.3Å; Q28-I31 PolarHBondContact O-N 2.8Å; Q28-I31 VanDerWaalsContact O-N 3.08Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.39Å; Q28-E32 PolarHBondContact NE2-OE1 3.31Å; Q28-E32 PolarHBondContact O-N 3.31Å |
| 29 | L | 97.2 | Very high | 95.4 | Very high | 86 Ų | 86 | 107.9 Ų | 107.9 | 45% | 0.45 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -33.4 | -180 | -71.1 | 172.6 | 0 | 0 | 0 | 112.5 | L25 V26 I31 E32 A33 | L25-L29 HydrophobicContact CD1-CD1 4.32Å; L25-L29 HydrophobicContact CD1-CG 4.25Å; L25-L29 HydrophobicContact CG-CD1 4.01Å; L25-L29 HydrophobicContact CG-CG 4.38Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.5Å; V26-L29 PolarHBondContact O-N 2.91Å; L29-I31 VanDerWaalsContact C-N 3.31Å; L29-I31 PolarHBondContact O-N 2.85Å; L29-E32 PolarHBondContact O-N 3.08Å; L29-A33 WeakPolarHBondContact O-CB 3.48Å; L29-A33 PolarHBondContact O-N 2.83Å |
| 30 | K | 97.6 | Very high | 95.9 | Very high | 118 Ų | 118 | 108.9 Ų | 108.9 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -39.5 | 173.4 | -74.5 | 170.5 | -179.5 | 171.3 | 0 | 111.8 | V26 E27 Q28 S34 | V26-K30 HydrophobicContact CG1-CD 4.39Å; V26-K30 WeakPolarHBondContact O-CG 3.15Å; V26-K30 PolarHBondContact O-N 3.26Å; E27-K30 PolarHBondContact O-N 3.3Å; E27-K30 IonicContact OE1-NZ 3.47Å; E27-K30 PolarHBondContact OE1-NZ 3.35Å; E27-K30 IonicContact OE2-NZ 2.88Å; E27-K30 PolarHBondContact OE2-NZ 3.42Å; Q28-K30 VanDerWaalsContact C-N 3.28Å; Q28-K30 PolarHBondContact O-N 3.15Å; K30-S34 PolarHBondContact O-N 3.14Å |
| 31 | I | 97.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 111.1 Ų | 111.1 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.9 | -47.3 | 175.6 | -62.1 | 166.3 | 0 | 0 | 0 | 109.7 | E27 Q28 L29 A33 S34 F35 | E27-I31 WeakPolarHBondContact O-CG1 3.32Å; E27-I31 PolarHBondContact O-N 3.42Å; Q28-I31 WeakPolarHBondContact O-CB 3.3Å; Q28-I31 PolarHBondContact O-N 2.8Å; Q28-I31 VanDerWaalsContact O-N 3.08Å; L29-I31 VanDerWaalsContact C-N 3.31Å; L29-I31 PolarHBondContact O-N 2.85Å; I31-A33 VanDerWaalsContact C-N 3.28Å; I31-A33 PolarHBondContact O-N 3.27Å; I31-S34 PolarHBondContact O-N 3.32Å; I31-S34 VanDerWaalsContact O-N 3.14Å; I31-S34 PolarHBondContact O-OG 3.28Å; I31-F35 HydrophobicContact CG2-CE2 4.13Å; I31-F35 VanDerWaalsContact O-CD2 3.23Å; I31-F35 WeakPolarHBondContact O-CD2 3.44Å |
| 32 | E | 96.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 111.2 Ų | 111.2 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -33.5 | 179.3 | -71.9 | 176.1 | -163 | 0 | 0 | 113.1 | Q28 L29 S34 | Q28-E32 WeakPolarHBondContact CG-OE1 3.39Å; Q28-E32 PolarHBondContact NE2-OE1 3.31Å; Q28-E32 PolarHBondContact O-N 3.31Å; L29-E32 PolarHBondContact O-N 3.08Å; E32-S34 VanDerWaalsContact C-N 3.32Å |
| 33 | A | 96.1 | Very high | 96.7 | Very high | 69 Ų | 69 | 111 Ų | 111 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.4 | -28.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L29 I31 F35 | L29-A33 WeakPolarHBondContact O-CB 3.48Å; L29-A33 PolarHBondContact O-N 2.83Å; I31-A33 VanDerWaalsContact C-N 3.28Å; I31-A33 PolarHBondContact O-N 3.27Å; A33-F35 VanDerWaalsContact C-N 3.29Å; A33-F35 PolarHBondContact O-N 3.06Å |
| 34 | S | 95.7 | Very high | 96.9 | Very high | 91 Ų | 91 | 104.8 Ų | 104.8 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -6 | -178.2 | 73 | 0 | 0 | 0 | 0 | 113.8 | K30 I31 E32 C36 | K30-S34 PolarHBondContact O-N 3.14Å; I31-S34 PolarHBondContact O-N 3.32Å; I31-S34 VanDerWaalsContact O-N 3.14Å; I31-S34 PolarHBondContact O-OG 3.28Å; E32-S34 VanDerWaalsContact C-N 3.32Å; S34-C36 PolarHBondContact O-N 3.17Å |
| 35 | F | 94.9 | Very high | 97 | Very high | 138 Ų | 138 | 99.4 Ų | 99.4 | 61% | 0.605 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -66.5 | 124.2 | 174.4 | -80.6 | -88.7 | 0 | 0 | 0 | 112.1 | I31 A33 R37 | I31-F35 HydrophobicContact CG2-CE2 4.13Å; I31-F35 VanDerWaalsContact O-CD2 3.23Å; I31-F35 WeakPolarHBondContact O-CD2 3.44Å; A33-F35 VanDerWaalsContact C-N 3.29Å; A33-F35 PolarHBondContact O-N 3.06Å; F35-R37 PolarHBondContact O-N 3.34Å |
| 36 | C | 95.6 | Very high | 97.2 | Very high | 132 Ų | 132 | 99 Ų | 99 | 89% | 0.892 | 54% | 0.535 | S | S | * | . | trans | -67.5 | 110.6 | 169 | -75.4 | 0 | 0 | 0 | 0 | 110.2 | S34 | S34-C36 PolarHBondContact O-N 3.17Š| ||
| 37 | R | 96.4 | Very high | 97.2 | Very high | 196 Ų | 196 | 101.2 Ų | 101.2 | 74% | 0.74 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 144.4 | 174.4 | -63.8 | 178.2 | -176.1 | 75.8 | 3.1 | 110.3 | F35 | F35-R37 PolarHBondContact O-N 3.34Š|
| 38 | I | 97.2 | Very high | 97.3 | Very high | 108 Ų | 108 | 102.1 Ų | 102.1 | 55% | 0.554 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 159.2 | 167.9 | 62.5 | 172.4 | 0 | 0 | 0 | 110.5 | A43 | I38-A43 HydrophobicContact CD1-CB 3.76Å; I38-A43 HydrophobicContact CG1-CB 4.27Å |
| 39 | K | 98.1 | Very high | 97.3 | Very high | 166 Ų | 166 | 100.6 Ų | 100.6 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.5 | 174.1 | -68.4 | -177.7 | -179.3 | 174.2 | 0 | 109.9 | S41 K42 A43 | K39-S41 PolarHBondContact O-N 3.31Å; K39-K42 HydrophobicContact CB-CB 4.36Å; K39-K42 WeakPolarHBondContact O-CB 3.34Å; K39-K42 PolarHBondContact O-N 3.08Å; K39-A43 PolarHBondContact O-N 2.89Å |
| 40 | V | 98.3 | Very high | 97.3 | Very high | 123 Ų | 123 | 103.4 Ų | 103.4 | 75% | 0.745 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -57.9 | -39.4 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | K42 A43 A44 | V40-K42 VanDerWaalsContact C-N 3.26Å; V40-K42 PolarHBondContact O-N 3.06Å; V40-A43 PolarHBondContact O-N 3.25Å; V40-A44 WeakPolarHBondContact O-CB 3.28Å; V40-A44 PolarHBondContact O-N 3.15Å |
| 41 | S | 98 | Very high | 97.3 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -34.9 | 176.2 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | K39 A45 | K39-S41 PolarHBondContact O-N 3.31Å; S41-A45 WeakPolarHBondContact O-CB 3.38Å; S41-A45 PolarHBondContact O-N 2.98Å; S41-A45 VanDerWaalsContact O-N 3.12Å |
| 42 | K | 98 | Very high | 97.2 | Very high | 110 Ų | 110 | 102.5 Ų | 102.5 | 48% | 0.478 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.8 | -48.2 | 175.3 | 177.3 | 171.6 | 168.9 | 42 | 0 | 110.8 | K39 V40 A44 A45 D46 | K39-K42 HydrophobicContact CB-CB 4.36Å; K39-K42 WeakPolarHBondContact O-CB 3.34Å; K39-K42 PolarHBondContact O-N 3.08Å; V40-K42 VanDerWaalsContact C-N 3.26Å; V40-K42 PolarHBondContact O-N 3.06Å; K42-A44 VanDerWaalsContact C-N 3.26Å; K42-A44 PolarHBondContact O-N 3.04Å; K42-A45 PolarHBondContact O-N 2.87Å; K42-A45 VanDerWaalsContact O-N 3.17Å; K42-D46 IonicContact NZ-OD1 2.71Å; K42-D46 PolarHBondContact NZ-OD1 2.92Å; K42-D46 VanDerWaalsContact NZ-OD1 3.08Å; K42-D46 IonicContact NZ-OD2 3.08Å; K42-D46 PolarHBondContact NZ-OD2 3.4Å; K42-D46 PolarHBondContact O-N 2.97Å |
| 43 | A | 98.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 101.4 Ų | 101.4 | 26% | 0.264 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.2 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I38 K39 V40 D46 L47 | I38-A43 HydrophobicContact CD1-CB 3.76Å; I38-A43 HydrophobicContact CG1-CB 4.27Å; K39-A43 PolarHBondContact O-N 2.89Å; V40-A43 PolarHBondContact O-N 3.25Å; A43-D46 PolarHBondContact O-N 3.09Å; A43-L47 VanDerWaalsContact O-CG 3.32Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; A43-L47 PolarHBondContact O-N 3.03Å |
| 44 | A | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 102.1 Ų | 102.1 | 37% | 0.372 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V40 K42 D46 L47 M48 | V40-A44 WeakPolarHBondContact O-CB 3.28Å; V40-A44 PolarHBondContact O-N 3.15Å; K42-A44 VanDerWaalsContact C-N 3.26Å; K42-A44 PolarHBondContact O-N 3.04Å; A44-D46 VanDerWaalsContact C-N 3.35Å; A44-D46 PolarHBondContact O-N 3.22Å; A44-L47 PolarHBondContact O-N 3.11Å; A44-M48 WeakPolarHBondContact O-CG 3.21Å; A44-M48 PolarHBondContact O-N 3.46Å |
| 45 | A | 98.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S41 K42 L47 M48 A49 | S41-A45 WeakPolarHBondContact O-CB 3.38Å; S41-A45 PolarHBondContact O-N 2.98Å; S41-A45 VanDerWaalsContact O-N 3.12Å; K42-A45 PolarHBondContact O-N 2.87Å; K42-A45 VanDerWaalsContact O-N 3.17Å; A45-L47 VanDerWaalsContact C-N 3.33Å; A45-L47 PolarHBondContact O-N 2.93Å; A45-M48 PolarHBondContact O-N 2.86Å; A45-A49 WeakPolarHBondContact O-CB 3.43Å; A45-A49 PolarHBondContact O-N 2.88Å |
| 46 | D | 98.1 | Very high | 96.9 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 177.9 | -64.1 | -16.1 | 0 | 0 | 0 | 110.6 | K42 A43 A44 Y50 | K42-D46 IonicContact NZ-OD1 2.71Å; K42-D46 PolarHBondContact NZ-OD1 2.92Å; K42-D46 VanDerWaalsContact NZ-OD1 3.08Å; K42-D46 IonicContact NZ-OD2 3.08Å; K42-D46 PolarHBondContact NZ-OD2 3.4Å; K42-D46 PolarHBondContact O-N 2.97Å; A43-D46 PolarHBondContact O-N 3.09Å; A44-D46 VanDerWaalsContact C-N 3.35Å; A44-D46 PolarHBondContact O-N 3.22Å; D46-Y50 PolarHBondContact O-N 3.01Å; D46-Y50 VanDerWaalsContact O-N 3.09Å |
| 47 | L | 98.3 | Very high | 96.7 | Very high | 120 Ų | 120 | 97.2 Ų | 97.2 | 63% | 0.628 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -45.7 | 174 | -73 | 173.6 | 0 | 0 | 0 | 112.6 | A43 A44 A45 Y50 C51 | A43-L47 VanDerWaalsContact O-CG 3.32Å; A43-L47 WeakPolarHBondContact O-CG 3.47Å; A43-L47 PolarHBondContact O-N 3.03Å; A44-L47 PolarHBondContact O-N 3.11Å; A45-L47 VanDerWaalsContact C-N 3.33Å; A45-L47 PolarHBondContact O-N 2.93Å; L47-Y50 PolarHBondContact O-N 2.91Å; L47-C51 PolarHBondContact O-N 3.32Å; L47-C51 PolarHBondContact O-SG 3.17Å |
| 48 | M | 97.5 | Very high | 96.6 | Very high | 119 Ų | 119 | 90.9 Ų | 90.9 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -47.6 | 177.3 | -72.3 | 177.9 | 68 | 0 | 0 | 111 | A44 A45 Y50 C51 D52 | A44-M48 WeakPolarHBondContact O-CG 3.21Å; A44-M48 PolarHBondContact O-N 3.46Å; A45-M48 PolarHBondContact O-N 2.86Å; M48-Y50 VanDerWaalsContact C-N 3.26Å; M48-Y50 PolarHBondContact O-N 3.33Å; M48-C51 PolarHBondContact O-N 3.5Å; M48-C51 VanDerWaalsContact O-N 3.15Å; M48-D52 WeakPolarHBondContact O-CB 3.32Å; M48-D52 VanDerWaalsContact O-CG 3.26Å; M48-D52 PolarHBondContact O-N 3.24Å |
| 49 | A | 98 | Very high | 96.4 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A45 A53 | A45-A49 WeakPolarHBondContact O-CB 3.43Å; A45-A49 PolarHBondContact O-N 2.88Å; A49-A53 VanDerWaalsContact O-CB 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.35Å; A49-A53 PolarHBondContact O-N 3.38Å; A49-A53 VanDerWaalsContact O-N 3.08Å |
| 50 | Y | 98.1 | Very high | 96.1 | Very high | 145 Ų | 145 | 88.9 Ų | 88.9 | 57% | 0.569 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.6 | -47.9 | 175.1 | -178.6 | -96.1 | 0 | 0 | 0 | 111.8 | D46 L47 M48 A53 H54 | D46-Y50 PolarHBondContact O-N 3.01Å; D46-Y50 VanDerWaalsContact O-N 3.09Å; L47-Y50 PolarHBondContact O-N 2.91Å; M48-Y50 VanDerWaalsContact C-N 3.26Å; M48-Y50 PolarHBondContact O-N 3.33Å; Y50-A53 PolarHBondContact O-N 2.86Å; Y50-H54 AromaticContact CD2-CE1 3.59Å; Y50-H54 AromaticContact CD2-ND1 3.76Å; Y50-H54 AromaticContact CE2-CE1 3.32Å; Y50-H54 WeakPolarHBondContact CE2-CE1 3.32Å; Y50-H54 AromaticContact CE2-ND1 3.65Å; Y50-H54 AromaticContact CE2-NE2 3.92Å; Y50-H54 AromaticContact CZ-CE1 3.95Å; Y50-H54 AromaticContact CZ-ND1 3.93Å; Y50-H54 PolarHBondContact O-N 2.83Å; Y50-H54 PolarHBondContact O-ND1 2.89Å |
| 51 | C | 97.3 | Very high | 95.8 | Very high | 76 Ų | 76 | 88.5 Ų | 88.5 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 177.9 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | L47 M48 A53 H54 A55 | L47-C51 PolarHBondContact O-N 3.32Å; L47-C51 PolarHBondContact O-SG 3.17Å; M48-C51 PolarHBondContact O-N 3.5Å; M48-C51 VanDerWaalsContact O-N 3.15Å; C51-A53 VanDerWaalsContact C-N 3.29Å; C51-A53 PolarHBondContact O-N 3Å; C51-H54 PolarHBondContact O-N 3.47Å; C51-H54 VanDerWaalsContact O-N 3.14Å; C51-A55 VanDerWaalsContact O-CB 3.32Å; C51-A55 WeakPolarHBondContact O-CB 3.21Å; C51-A55 PolarHBondContact O-N 3Å |
| 52 | D | 95.3 | Very high | 95.5 | Very high | 115 Ų | 115 | 87.1 Ų | 87.1 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | -179.4 | -67.9 | -19.5 | 0 | 0 | 0 | 111.9 | M48 H54 | M48-D52 WeakPolarHBondContact O-CB 3.32Å; M48-D52 VanDerWaalsContact O-CG 3.26Å; M48-D52 PolarHBondContact O-N 3.24Å; D52-H54 VanDerWaalsContact C-N 3.3Å; D52-H54 PolarHBondContact O-N 3.14Å |
| 53 | A | 96.4 | Very high | 95 | Very high | 68 Ų | 68 | 87.4 Ų | 87.4 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68 | -26.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A49 Y50 C51 | A49-A53 VanDerWaalsContact O-CB 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.35Å; A49-A53 PolarHBondContact O-N 3.38Å; A49-A53 VanDerWaalsContact O-N 3.08Å; Y50-A53 PolarHBondContact O-N 2.86Å; C51-A53 VanDerWaalsContact C-N 3.29Å; C51-A53 PolarHBondContact O-N 3Å |
| 54 | H | 95.9 | Very high | 94.6 | Very high | 84 Ų | 84 | 88.5 Ų | 88.5 | 39% | 0.389 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -114.7 | -3.5 | -174.4 | -59.8 | 82.8 | 0 | 0 | 0 | 113.7 | Y50 C51 D52 C56 D57 D58 | Y50-H54 AromaticContact CD2-CE1 3.59Å; Y50-H54 AromaticContact CD2-ND1 3.76Å; Y50-H54 AromaticContact CE2-CE1 3.32Å; Y50-H54 WeakPolarHBondContact CE2-CE1 3.32Å; Y50-H54 AromaticContact CE2-ND1 3.65Å; Y50-H54 AromaticContact CE2-NE2 3.92Å; Y50-H54 AromaticContact CZ-CE1 3.95Å; Y50-H54 AromaticContact CZ-ND1 3.93Å; Y50-H54 PolarHBondContact O-N 2.83Å; Y50-H54 PolarHBondContact O-ND1 2.89Å; C51-H54 PolarHBondContact O-N 3.47Å; C51-H54 VanDerWaalsContact O-N 3.14Å; D52-H54 VanDerWaalsContact C-N 3.3Å; D52-H54 PolarHBondContact O-N 3.14Å; H54-C56 PolarHBondContact O-N 3.29Å; H54-D57 PolarHBondContact O-N 3.38Å; H54-D58 PolarHBondContact O-N 3.5Å |
| 55 | A | 93.2 | Very high | 94.2 | Very high | 33 Ų | 33 | 89.9 Ų | 89.9 | 27% | 0.273 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | C51 D57 T62 | C51-A55 VanDerWaalsContact O-CB 3.32Å; C51-A55 WeakPolarHBondContact O-CB 3.21Å; C51-A55 PolarHBondContact O-N 3Å; A55-D57 VanDerWaalsContact C-N 3.29Å; A55-D57 PolarHBondContact O-N 3.35Å; A55-T62 PolarHBondContact O-OG1 3.08Å |
| 56 | C | 90.4 | Very high | 93.6 | Very high | 99 Ų | 99 | 91.5 Ų | 91.5 | 67% | 0.669 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.7 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | H54 | H54-C56 PolarHBondContact O-N 3.29Š|
| 57 | D | 92.1 | Very high | 93 | Very high | 125 Ų | 125 | 92.7 Ų | 92.7 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -10.5 | -176.6 | -63.3 | -26.7 | 0 | 0 | 0 | 112.5 | H54 A55 P59 | H54-D57 PolarHBondContact O-N 3.38Å; A55-D57 VanDerWaalsContact C-N 3.29Å; A55-D57 PolarHBondContact O-N 3.35Å; D57-P59 WeakPolarHBondContact O-CD 3.31Å |
| 58 | D | 94.5 | Very high | 92.5 | Very high | 63 Ų | 63 | 93.1 Ų | 93.1 | 34% | 0.337 | 54% | 0.54 | S | S | . | . | trans | -83.8 | 109.3 | 176.3 | -172.9 | -26.2 | 0 | 0 | 0 | 110.3 | H54 L60 I61 T62 | H54-D58 PolarHBondContact O-N 3.5Å; D58-L60 PolarHBondContact O-N 3.37Å; D58-L60 VanDerWaalsContact O-N 3.11Å; D58-L60 VanDerWaalsContact OD1-CB 3.3Å; D58-L60 WeakPolarHBondContact OD1-CB 3.23Å; D58-L60 PolarHBondContact OD1-N 3.34Å; D58-I61 HydrophobicContact CB-CB 4.09Å; D58-I61 HydrophobicContact CB-CG1 4Å; D58-I61 PolarHBondContact O-N 2.91Å; D58-I61 VanDerWaalsContact O-N 3.13Å; D58-I61 PolarHBondContact OD1-N 2.96Å; D58-I61 WeakPolarHBondContact OD2-CG1 3.33Å; D58-T62 PolarHBondContact O-N 2.99Å | ||
| 59 | P | 92.1 | Very high | 92.1 | Very high | 74 Ų | 74 | 90.3 Ų | 90.3 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.5 | -177.6 | -21.7 | 36.4 | 0 | 0 | 0 | 114.3 | D57 T62 V64 | D57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-T62 CarbonylContact C-O 3.52Å; P59-T62 WeakPolarHBondContact CA-O 3.42Å; P59-V64 HydrophobicContact CB-CG1 3.84Å; P59-V64 HydrophobicContact CB-CG2 4.3Å; P59-V64 HydrophobicContact CG-CG1 4.28Å |
| 60 | L | 91.6 | Very high | 91.7 | Very high | 159 Ų | 159 | 93.1 Ų | 93.1 | 83% | 0.832 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -26.8 | 178.5 | -56.5 | -179.8 | 0 | 0 | 0 | 112.1 | D58 | D58-L60 PolarHBondContact O-N 3.37Å; D58-L60 VanDerWaalsContact O-N 3.11Å; D58-L60 VanDerWaalsContact OD1-CB 3.3Å; D58-L60 WeakPolarHBondContact OD1-CB 3.23Å; D58-L60 PolarHBondContact OD1-N 3.34Å |
| 61 | I | 92.8 | Very high | 91.2 | Very high | 115 Ų | 115 | 95.3 Ų | 95.3 | 59% | 0.59 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -45.7 | 176.4 | -57.1 | -63.8 | 0 | 0 | 0 | 110.2 | D58 P63 | D58-I61 HydrophobicContact CB-CB 4.09Å; D58-I61 HydrophobicContact CB-CG1 4Å; D58-I61 PolarHBondContact O-N 2.91Å; D58-I61 VanDerWaalsContact O-N 3.13Å; D58-I61 PolarHBondContact OD1-N 2.96Å; D58-I61 WeakPolarHBondContact OD2-CG1 3.33Å; I61-P63 WeakPolarHBondContact O-CD 3.45Å |
| 62 | T | 91 | Very high | 90.6 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 37% | 0.368 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 102.5 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | A55 D58 P59 V64 | A55-T62 PolarHBondContact O-OG1 3.08Å; D58-T62 PolarHBondContact O-N 2.99Å; P59-T62 CarbonylContact C-O 3.52Å; P59-T62 WeakPolarHBondContact CA-O 3.42Å; T62-V64 PolarHBondContact O-N 3.19Å |
| 63 | P | 88.2 | Confident | 89.9 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 75% | 0.747 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 125.5 | -175.5 | -24 | 33.6 | 0 | 0 | 0 | 111.9 | I61 | I61-P63 WeakPolarHBondContact O-CD 3.45Š|
| 64 | V | 89.8 | Confident | 88.9 | Confident | 56 Ų | 56 | 104.6 Ų | 104.6 | 34% | 0.339 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -78.7 | 153.8 | 174.6 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | P59 T62 E68 N69 | P59-V64 HydrophobicContact CB-CG1 3.84Å; P59-V64 HydrophobicContact CB-CG2 4.3Å; P59-V64 HydrophobicContact CG-CG1 4.28Å; T62-V64 PolarHBondContact O-N 3.19Å; V64-E68 HydrophobicContact CB-CB 4.45Å; V64-N69 HydrophobicContact CG2-CB 4.27Å |
| 65 | P | 89.6 | Confident | 87.7 | Confident | 73 Ų | 73 | 107.8 Ų | 107.8 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 147.1 | 172.6 | -24.2 | 33.9 | 0 | 0 | 0 | 111.5 | S67 E68 N69 | P65-S67 PolarHBondContact O-N 3.42Å; P65-S67 VanDerWaalsContact O-N 3.1Å; P65-E68 PolarHBondContact O-N 3.27Å; P65-N69 PolarHBondContact O-N 3.34Å |
| 66 | T | 84.8 | Confident | 86.3 | Confident | 87 Ų | 87 | 115 Ų | 115 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -32.8 | -175.8 | -26.3 | 0 | 0 | 0 | 0 | 111.9 | E68 N69 R72 | T66-E68 VanDerWaalsContact C-N 3.26Å; T66-E68 PolarHBondContact O-N 3.4Å; T66-N69 PolarHBondContact O-N 3.01Å; T66-R72 HydrophobicContact CG2-CB 3.99Å; T66-R72 HydrophobicContact CG2-CG 3.51Å; T66-R72 WeakPolarHBondContact O-CB 3.44Å; T66-R72 WeakPolarHBondContact O-CD 3.37Å |
| 67 | S | 85.9 | Confident | 84.5 | Confident | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -30.7 | 176.9 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | P65 | P65-S67 PolarHBondContact O-N 3.42Å; P65-S67 VanDerWaalsContact O-N 3.1Å |
| 68 | E | 87.1 | Confident | 82.4 | Confident | 129 Ų | 129 | 118.5 Ų | 118.5 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -21.4 | 179.2 | -66.3 | 178.8 | -162.7 | 0 | 0 | 111.8 | V64 P65 T66 P70 | V64-E68 HydrophobicContact CB-CB 4.45Å; P65-E68 PolarHBondContact O-N 3.27Å; T66-E68 VanDerWaalsContact C-N 3.26Å; T66-E68 PolarHBondContact O-N 3.4Å; E68-P70 WeakPolarHBondContact O-CD 3.31Å |
| 69 | N | 90.4 | Very high | 80.8 | Confident | 59 Ų | 59 | 119.3 Ų | 119.3 | 32% | 0.316 | 63% | 0.631 | S | S | . | * | trans | -69.1 | 112.5 | 176.1 | -176.3 | -5.3 | 0 | 0 | 0 | 111 | V64 P65 T66 F71 R72 | V64-N69 HydrophobicContact CG2-CB 4.27Å; P65-N69 PolarHBondContact O-N 3.34Å; T66-N69 PolarHBondContact O-N 3.01Å; N69-F71 PolarHBondContact O-N 3.07Å; N69-F71 VanDerWaalsContact O-N 3.15Å; N69-F71 WeakPolarHBondContact OD1-CA 3.32Å; N69-F71 WeakPolarHBondContact OD1-CB 3.48Å; N69-F71 PolarHBondContact OD1-N 3.07Å; N69-R72 VanDerWaalsContact O-CB 3.3Å; N69-R72 WeakPolarHBondContact O-CB 3.47Å; N69-R72 PolarHBondContact O-N 3.09Å | ||
| 70 | P | 88.6 | Confident | 79.2 | Confident | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -21.7 | 179 | -19.2 | 33.5 | 0 | 0 | 0 | 113.4 | E68 R72 | E68-P70 WeakPolarHBondContact O-CD 3.31Å; P70-R72 VanDerWaalsContact C-N 3.33Å |
| 71 | F | 88.6 | Confident | 77.3 | Confident | 190 Ų | 190 | 127.2 Ų | 127.2 | 83% | 0.833 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 9.6 | 178.5 | -56.7 | -77.9 | 0 | 0 | 0 | 113.3 | N69 | N69-F71 PolarHBondContact O-N 3.07Å; N69-F71 VanDerWaalsContact O-N 3.15Å; N69-F71 WeakPolarHBondContact OD1-CA 3.32Å; N69-F71 WeakPolarHBondContact OD1-CB 3.48Å; N69-F71 PolarHBondContact OD1-N 3.07Å |
| 72 | R | 84.4 | Confident | 76.5 | Confident | 110 Ų | 110 | 127.8 Ų | 127.8 | 42% | 0.415 | 67% | 0.672 | S | S | . | * | trans | -62.4 | 138.9 | 174.5 | 176.7 | 176.4 | -174.4 | -102.6 | 11.6 | 111.4 | T66 N69 P70 K74 | T66-R72 HydrophobicContact CG2-CB 3.99Å; T66-R72 HydrophobicContact CG2-CG 3.51Å; T66-R72 WeakPolarHBondContact O-CB 3.44Å; T66-R72 WeakPolarHBondContact O-CD 3.37Å; N69-R72 VanDerWaalsContact O-CB 3.3Å; N69-R72 WeakPolarHBondContact O-CB 3.47Å; N69-R72 PolarHBondContact O-N 3.09Å; P70-R72 VanDerWaalsContact C-N 3.33Å; R72-K74 PolarHBondContact O-N 2.94Å | ||
| 73 | E | 81.2 | Confident | 75.7 | Confident | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -56.8 | 121.9 | 168.3 | -68.3 | -176.6 | -178.8 | 0 | 0 | 111.2 | K75 | E73-K75 PolarHBondContact O-N 2.99Š| ||
| 74 | K | 75.9 | Confident | 75 | Confident | 172 Ų | 172 | 132.3 Ų | 132.3 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | -68.9 | 107.6 | 169.9 | -68.4 | 179.1 | -177.3 | 176.2 | 0 | 107.3 | R72 F76 | R72-K74 PolarHBondContact O-N 2.94Å; K74-F76 VanDerWaalsContact C-N 3.32Å; K74-F76 PolarHBondContact O-N 3.26Å | ||
| 75 | K | 68.8 | Low | 74.2 | Confident | 151 Ų | 151 | 136.8 Ų | 136.8 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -62.1 | 99.4 | 165.7 | -68.8 | -165 | 177.7 | -172.1 | 0 | 107.3 | E73 F77 | E73-K75 PolarHBondContact O-N 2.99Å; K75-F77 PolarHBondContact O-N 3.47Å; K75-F77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | F | 64.9 | Low | 73.2 | Confident | 185 Ų | 185 | 140.8 Ų | 140.8 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | -65.7 | 110 | 163 | -68.9 | -80.8 | 0 | 0 | 0 | 106 | K74 C78 | K74-F76 VanDerWaalsContact C-N 3.32Å; K74-F76 PolarHBondContact O-N 3.26Å; F76-C78 PolarHBondContact O-N 2.8Å | ||
| 77 | F | 53 | Low | 72.4 | Confident | 194 Ų | 194 | 144.3 Ų | 144.3 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | -67.6 | 93 | 167.1 | -60.1 | -83.7 | 0 | 0 | 0 | 106.5 | K75 A79 | K75-F77 PolarHBondContact O-N 3.47Å; K75-F77 VanDerWaalsContact O-N 3.14Å; F77-A79 VanDerWaalsContact C-N 3.29Å; F77-A79 PolarHBondContact O-N 2.71Å | ||
| 78 | C | 47.7 | Very low | 71.5 | Confident | 104 Ų | 104 | 147.4 Ų | 147.4 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | trans | -69.7 | 96.3 | 162.4 | -173.5 | 0 | 0 | 0 | 0 | 106.3 | F76 L80 | F76-C78 PolarHBondContact O-N 2.8Å; C78-L80 PolarHBondContact O-N 3.2Å | ||
| 79 | A | 60.6 | Low | 70.3 | Confident | 80 Ų | 80 | 148.8 Ų | 148.8 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | -73.5 | 105.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | F77 L81 | F77-A79 VanDerWaalsContact C-N 3.29Å; F77-A79 PolarHBondContact O-N 2.71Å; A79-L81 PolarHBondContact O-N 3.26Å; A79-L81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | L | 57.6 | Low | 68.6 | Low | 165 Ų | 165 | 156.3 Ų | 156.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -67 | 102.6 | 159.5 | -74.1 | 166.5 | 0 | 0 | 0 | 106 | C78 | C78-L80 PolarHBondContact O-N 3.2Š| ||
| 81 | L | 52.2 | Low | 66.8 | Low | 233 Ų | 233 | 159.6 Ų | 159.6 | 100% | 1.22 | 78% | 0.779 | S | S | * | * | trans | -83.8 | 0 | 167.1 | -95.3 | 154.4 | 0 | 0 | 0 | 109.5 | A79 | A79-L81 PolarHBondContact O-N 3.26Å; A79-L81 VanDerWaalsContact O-N 3.1Å |
Retrieved 81 of 81 residues in 13.9 ms
(Link to these results)