| 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 | 38.1 | Very low | 46.1 | Very low | 237 Ų | 237 | 147.4 Ų | 147.4 | 100% | 1.167 | 86% | 0.855 | S | S | * | * | 0 | 94.7 | 0 | -62.5 | -165.9 | 127.2 | 0 | 0 | 105.7 | |||||
| 2 | L | 46.4 | Very low | 46.2 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 86% | 0.859 | 85% | 0.848 | S | S | * | * | 46.1 | 101.7 | 80.8 | -78.6 | 166.6 | 0 | 0 | 0 | 112.7 | |||||
| 3 | S | 40.6 | Very low | 46.6 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -173.9 | 93.5 | 145 | -68.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 4 | D | 43.3 | Very low | 47.4 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | 51.5 | 112.8 | 89.9 | -95 | -30.2 | 0 | 0 | 0 | 114.5 | |||||
| 5 | G | 38.1 | Very low | 47.7 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -149.5 | 78.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | C | 47.9 | Very low | 48.4 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | -60.3 | 142.6 | 165.4 | -85.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | G | 41.3 | Very low | 48.4 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 169.7 | 95.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 8 | S | 54.4 | Low | 48.8 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | 86.8 | 91.2 | 147.3 | -52 | 0 | 0 | 0 | 0 | 118 | E10 | S8-E10 PolarHBondContact O-N 2.82Å; S8-E10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | E | 52 | Low | 48.7 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -70.1 | 90 | 156.1 | -58.6 | 178 | 106.1 | 0 | 0 | 109.4 | K11 | E9-K11 PolarHBondContact O-N 3.24Š| ||
| 10 | E | 50.5 | Low | 48.5 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -79.2 | 105 | 166.6 | -78 | -177.3 | 119.9 | 0 | 0 | 109.4 | S8 I12 | S8-E10 PolarHBondContact O-N 2.82Å; S8-E10 VanDerWaalsContact O-N 3.13Å; E10-I12 PolarHBondContact O-N 2.86Å | ||
| 11 | K | 54.5 | Low | 48.7 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -66.2 | 95.8 | 171.4 | -70.4 | 179.2 | 177.5 | 174 | 0 | 109.4 | E9 S13 | E9-K11 PolarHBondContact O-N 3.24Å; K11-S13 PolarHBondContact O-N 3.44Å | ||
| 12 | I | 47.3 | Very low | 49.1 | Very low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -75.1 | 106.4 | 169.4 | -44.2 | 171.2 | 0 | 0 | 0 | 107 | E10 V14 | E10-I12 PolarHBondContact O-N 2.86Å; I12-V14 PolarHBondContact O-N 3.17Å | ||
| 13 | S | 50.9 | Low | 49.5 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 103.9 | 171.1 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | K11 P15 | K11-S13 PolarHBondContact O-N 3.44Å; S13-P15 WeakPolarHBondContact O-CD 2.94Å | ||
| 14 | V | 58.2 | Low | 50 | Low | 125 Ų | 125 | 127.9 Ų | 127.9 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -74.7 | 124 | 170.4 | -169.8 | 0 | 0 | 0 | 0 | 107.8 | I12 S16 | I12-V14 PolarHBondContact O-N 3.17Å; V14-S16 PolarHBondContact O-N 2.89Å | ||
| 15 | P | 51.9 | Low | 50.4 | Low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -61.3 | 114.9 | 173.5 | -21.9 | 33.6 | 0 | 0 | 0 | 110 | S13 C17 | S13-P15 WeakPolarHBondContact O-CD 2.94Å; P15-C17 PolarHBondContact O-N 2.83Å; P15-C17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | S | 58.8 | Low | 51.2 | Low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 100.3 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | V14 | V14-S16 PolarHBondContact O-N 2.89Š| ||
| 17 | C | 48.8 | Very low | 51.6 | Low | 111 Ų | 111 | 131.4 Ų | 131.4 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -127 | 46.6 | 171.5 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | P15 | P15-C17 PolarHBondContact O-N 2.83Å; P15-C17 VanDerWaalsContact O-N 3.1Å | ||
| 18 | Y | 55.6 | Low | 52.4 | Low | 241 Ų | 241 | 136.2 Ų | 136.2 | 95% | 0.945 | 79% | 0.793 | S | S | * | * | trans | -100.4 | 91 | 157.7 | -98.7 | -85.8 | 0 | 0 | 0 | 108.2 | ||||
| 19 | G | 46.9 | Very low | 52.5 | Low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -153 | 117.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | G | 44.9 | Very low | 52.7 | Low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 105.9 | 99.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G22 | G20-G22 PolarHBondContact O-N 2.85Š| ||
| 21 | I | 51.9 | Low | 53.1 | Low | 186 Ų | 186 | 125 Ų | 125 | 95% | 0.954 | 75% | 0.753 | S | S | * | * | trans | -57.3 | 120.1 | 156.4 | -64.8 | 153.4 | 0 | 0 | 0 | 107.9 | ||||
| 22 | G | 46.9 | Very low | 53.4 | Low | 66 Ų | 66 | 118.8 Ų | 118.8 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | trans | -170.7 | 106.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G20 | G20-G22 PolarHBondContact O-N 2.85Š| ||
| 23 | A | 54.3 | Low | 54.5 | Low | 85 Ų | 85 | 117.3 Ų | 117.3 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | 58.7 | 127.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | V25 | A23-V25 VanDerWaalsContact C-N 3.32Å; A23-V25 PolarHBondContact O-N 2.81Å | ||
| 24 | P | 51 | Low | 55.9 | Low | 131 Ų | 131 | 117.1 Ų | 117.1 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -70.6 | 95.5 | 164.8 | 31.4 | -29.7 | 0 | 0 | 0 | 107.3 | S26 | P24-S26 PolarHBondContact O-N 2.95Š| ||
| 25 | V | 52.4 | Low | 57.2 | Low | 129 Ų | 129 | 115 Ų | 115 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 96.4 | 154.6 | 174.4 | 0 | 0 | 0 | 0 | 104.5 | A23 R27 | A23-V25 VanDerWaalsContact C-N 3.32Å; A23-V25 PolarHBondContact O-N 2.81Å; V25-R27 PolarHBondContact O-N 3.11Å | ||
| 26 | S | 54.8 | Low | 59 | Low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -58.1 | 93.1 | 162.9 | -173.5 | 0 | 0 | 0 | 0 | 105.8 | P24 Q28 | P24-S26 PolarHBondContact O-N 2.95Å; S26-Q28 PolarHBondContact O-N 2.86Å | ||
| 27 | R | 57.4 | Low | 60.7 | Low | 215 Ų | 215 | 114.9 Ų | 114.9 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | trans | -65.5 | 89.9 | 163.5 | -165.6 | 179.8 | -163 | -146.5 | 4 | 103.6 | V25 V29 | V25-R27 PolarHBondContact O-N 3.11Å; R27-V29 PolarHBondContact O-N 2.76Å | ||
| 28 | Q | 56.5 | Low | 62.8 | Low | 169 Ų | 169 | 115.2 Ų | 115.2 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | trans | -59.2 | 88.9 | 159.2 | -72 | -173.7 | 28.2 | 0 | 0 | 105.2 | S26 P30 | S26-Q28 PolarHBondContact O-N 2.86Å; Q28-P30 WeakPolarHBondContact O-CD 2.91Å | ||
| 29 | V | 56.7 | Low | 64.6 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 58% | 0.582 | 66% | 0.655 | S | S | * | * | trans | -57.4 | 120.9 | 153.3 | 175.8 | 0 | 0 | 0 | 0 | 103.6 | R27 A31 | R27-V29 PolarHBondContact O-N 2.76Å; V29-A31 PolarHBondContact O-N 2.95Å | ||
| 30 | P | 55.6 | Low | 66.9 | Low | 64 Ų | 64 | 108.8 Ų | 108.8 | 42% | 0.416 | 64% | 0.643 | S | S | . | * | trans | -69.8 | 89.6 | -179.7 | -12.1 | 26.9 | 0 | 0 | 0 | 107.9 | Q28 S32 H33 | Q28-P30 WeakPolarHBondContact O-CD 2.91Å; P30-S32 PolarHBondContact O-N 3.15Å; P30-S32 VanDerWaalsContact O-N 3.07Å; P30-H33 WeakPolarHBondContact CB-CD2 3.05Å; P30-H33 PolarHBondContact O-N 3.1Å; P30-H33 VanDerWaalsContact O-N 3.09Å | ||
| 31 | A | 59.4 | Low | 69.4 | Low | 79 Ų | 79 | 109.8 Ų | 109.8 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.8 | -16.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V29 S35 | V29-A31 PolarHBondContact O-N 2.95Å; A31-S35 PolarHBondContact O-N 3.32Å |
| 32 | S | 60.4 | Low | 71.5 | Confident | 64 Ų | 64 | 104.8 Ų | 104.8 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | 173.1 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | P30 S35 E36 | P30-S32 PolarHBondContact O-N 3.15Å; P30-S32 VanDerWaalsContact O-N 3.07Å; S32-S35 PolarHBondContact O-N 3.03Å; S32-E36 WeakPolarHBondContact O-CG 3.19Å; S32-E36 PolarHBondContact O-N 2.88Å |
| 33 | H | 71.3 | Confident | 73.8 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.2 | -38.4 | -177.4 | -71.5 | -44 | 0 | 0 | 0 | 112.4 | P30 S35 E36 L37 | P30-H33 WeakPolarHBondContact CB-CD2 3.05Å; P30-H33 PolarHBondContact O-N 3.1Å; P30-H33 VanDerWaalsContact O-N 3.09Å; H33-S35 VanDerWaalsContact C-N 3.33Å; H33-E36 PolarHBondContact O-N 3.31Å; H33-L37 WeakPolarHBondContact O-CB 2.96Å; H33-L37 PolarHBondContact O-N 2.99Å |
| 34 | D | 79.9 | Confident | 75.9 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -35.7 | 173.7 | -82.2 | -8.6 | 0 | 0 | 0 | 111.6 | M38 | D34-M38 VanDerWaalsContact O-CB 3.32Å; D34-M38 WeakPolarHBondContact O-CB 3.41Å; D34-M38 WeakPolarHBondContact O-CG 3.47Å; D34-M38 PolarHBondContact O-N 3.17Å |
| 35 | S | 86.5 | Confident | 78.1 | Confident | 81 Ų | 81 | 109.6 Ų | 109.6 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.8 | -41 | 177 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | A31 S32 H33 A39 | A31-S35 PolarHBondContact O-N 3.32Å; S32-S35 PolarHBondContact O-N 3.03Å; H33-S35 VanDerWaalsContact C-N 3.33Å; S35-A39 WeakPolarHBondContact O-CB 3.5Å; S35-A39 PolarHBondContact O-N 3.4Å |
| 36 | E | 89.5 | Confident | 80.3 | Confident | 129 Ų | 129 | 110.5 Ų | 110.5 | 60% | 0.603 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -40.9 | 178.1 | -73.3 | 173.5 | -174.6 | 0 | 0 | 111.4 | S32 H33 A39 F40 | S32-E36 WeakPolarHBondContact O-CG 3.19Å; S32-E36 PolarHBondContact O-N 2.88Å; H33-E36 PolarHBondContact O-N 3.31Å; E36-A39 PolarHBondContact O-N 2.97Å; E36-F40 PolarHBondContact O-N 3.48Å |
| 37 | L | 93.3 | Very high | 82.3 | Confident | 92 Ų | 92 | 109.1 Ų | 109.1 | 48% | 0.482 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.6 | -45.5 | 174.3 | 178.3 | 61.2 | 0 | 0 | 0 | 111.4 | H33 F40 M41 | H33-L37 WeakPolarHBondContact O-CB 2.96Å; H33-L37 PolarHBondContact O-N 2.99Å; L37-F40 PolarHBondContact O-N 2.96Å; L37-M41 HydrophobicContact CD1-CG 4.28Å; L37-M41 HydrophobicContact CD1-SD 4.31Å; L37-M41 HydrophobicContact CG-SD 4.18Å; L37-M41 WeakPolarHBondContact O-CB 3.21Å; L37-M41 WeakPolarHBondContact O-CG 3.32Å; L37-M41 PolarHBondContact O-N 3.17Å |
| 38 | M | 93.1 | Very high | 84.3 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 177.3 | -72.1 | -73.9 | -77.2 | 0 | 0 | 112.1 | D34 F40 M41 T42 | D34-M38 VanDerWaalsContact O-CB 3.32Å; D34-M38 WeakPolarHBondContact O-CB 3.41Å; D34-M38 WeakPolarHBondContact O-CG 3.47Å; D34-M38 PolarHBondContact O-N 3.17Å; M38-F40 VanDerWaalsContact C-N 3.33Å; M38-F40 PolarHBondContact O-N 3.39Å; M38-M41 PolarHBondContact O-N 3.3Å; M38-T42 WeakPolarHBondContact O-CB 3.34Å; M38-T42 VanDerWaalsContact O-CG2 3.3Å; M38-T42 WeakPolarHBondContact O-CG2 3.47Å; M38-T42 PolarHBondContact O-N 3.35Å; M38-T42 PolarHBondContact O-OG1 3.31Å |
| 39 | A | 93.6 | Very high | 86.3 | Confident | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S35 E36 T42 R43 | S35-A39 WeakPolarHBondContact O-CB 3.5Å; S35-A39 PolarHBondContact O-N 3.4Å; E36-A39 PolarHBondContact O-N 2.97Å; A39-T42 WeakPolarHBondContact CA-OG1 3.31Å; A39-T42 PolarHBondContact O-OG1 3.05Å; A39-R43 WeakPolarHBondContact O-CB 3.27Å; A39-R43 PolarHBondContact O-N 3.48Å; A39-R43 VanDerWaalsContact O-N 3.12Å |
| 40 | F | 95.9 | Very high | 88.2 | Confident | 123 Ų | 123 | 99.1 Ų | 99.1 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -46.1 | 174.5 | 175.5 | -98.1 | 0 | 0 | 0 | 112.1 | E36 L37 M38 R43 K44 | E36-F40 PolarHBondContact O-N 3.48Å; L37-F40 PolarHBondContact O-N 2.96Å; M38-F40 VanDerWaalsContact C-N 3.33Å; M38-F40 PolarHBondContact O-N 3.39Å; F40-R43 WeakPolarHBondContact O-CB 3.48Å; F40-R43 PolarHBondContact O-N 3.11Å; F40-K44 HydrophobicContact CD1-CG 4.24Å; F40-K44 HydrophobicContact CE1-CG 3.8Å; F40-K44 HydrophobicContact CE2-CG 4.22Å; F40-K44 HydrophobicContact CZ-CD 4.2Å; F40-K44 HydrophobicContact CZ-CG 3.81Å; F40-K44 WeakPolarHBondContact O-CG 3.24Å; F40-K44 PolarHBondContact O-N 3.47Å |
| 41 | M | 96.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 48% | 0.478 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 179 | -72.5 | -176.9 | 71.9 | 0 | 0 | 112 | L37 M38 R43 K44 L45 | L37-M41 HydrophobicContact CD1-CG 4.28Å; L37-M41 HydrophobicContact CD1-SD 4.31Å; L37-M41 HydrophobicContact CG-SD 4.18Å; L37-M41 WeakPolarHBondContact O-CB 3.21Å; L37-M41 WeakPolarHBondContact O-CG 3.32Å; L37-M41 PolarHBondContact O-N 3.17Å; M38-M41 PolarHBondContact O-N 3.3Å; M41-R43 VanDerWaalsContact C-N 3.34Å; M41-R43 PolarHBondContact O-N 2.79Å; M41-K44 PolarHBondContact O-N 3.31Å; M41-L45 WeakPolarHBondContact O-CB 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.47Å; M41-L45 PolarHBondContact O-N 3Å |
| 42 | T | 95.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 175.2 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | M38 A39 L45 W46 | M38-T42 WeakPolarHBondContact O-CB 3.34Å; M38-T42 VanDerWaalsContact O-CG2 3.3Å; M38-T42 WeakPolarHBondContact O-CG2 3.47Å; M38-T42 PolarHBondContact O-N 3.35Å; M38-T42 PolarHBondContact O-OG1 3.31Å; A39-T42 WeakPolarHBondContact CA-OG1 3.31Å; A39-T42 PolarHBondContact O-OG1 3.05Å; T42-L45 PolarHBondContact O-N 2.68Å; T42-W46 WeakPolarHBondContact O-CB 3.24Å; T42-W46 PolarHBondContact O-N 3.07Å |
| 43 | R | 96.6 | Very high | 93.9 | Very high | 167 Ų | 167 | 102.9 Ų | 102.9 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -45.5 | 172.1 | -169.2 | 76.8 | -172 | -164 | 1.5 | 111.7 | A39 F40 M41 W46 D47 | A39-R43 WeakPolarHBondContact O-CB 3.27Å; A39-R43 PolarHBondContact O-N 3.48Å; A39-R43 VanDerWaalsContact O-N 3.12Å; F40-R43 WeakPolarHBondContact O-CB 3.48Å; F40-R43 PolarHBondContact O-N 3.11Å; M41-R43 VanDerWaalsContact C-N 3.34Å; M41-R43 PolarHBondContact O-N 2.79Å; R43-W46 WeakPolarHBondContact O-CB 3.41Å; R43-W46 PolarHBondContact O-N 2.95Å; R43-D47 VanDerWaalsContact O-CG 3.27Å; R43-D47 PolarHBondContact O-N 3.39Å |
| 44 | K | 97.6 | Very high | 95.2 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 177.8 | -73.2 | -63.2 | -174.8 | -173.7 | 0 | 112.7 | F40 M41 W46 D47 L48 | F40-K44 HydrophobicContact CD1-CG 4.24Å; F40-K44 HydrophobicContact CE1-CG 3.8Å; F40-K44 HydrophobicContact CE2-CG 4.22Å; F40-K44 HydrophobicContact CZ-CD 4.2Å; F40-K44 HydrophobicContact CZ-CG 3.81Å; F40-K44 WeakPolarHBondContact O-CG 3.24Å; F40-K44 PolarHBondContact O-N 3.47Å; M41-K44 PolarHBondContact O-N 3.31Å; K44-W46 VanDerWaalsContact C-N 3.33Å; K44-D47 PolarHBondContact O-N 2.82Å; K44-L48 WeakPolarHBondContact O-CB 3.41Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.44Å; K44-L48 PolarHBondContact O-N 2.93Å |
| 45 | L | 97.9 | Very high | 96.1 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 174.4 | -77.2 | 170.2 | 0 | 0 | 0 | 111.4 | M41 T42 L48 E49 | M41-L45 WeakPolarHBondContact O-CB 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.47Å; M41-L45 PolarHBondContact O-N 3Å; T42-L45 PolarHBondContact O-N 2.68Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-E49 WeakPolarHBondContact O-CB 3.47Å; L45-E49 PolarHBondContact O-N 3.44Å |
| 46 | W | 97.9 | Very high | 96.6 | Very high | 147 Ų | 147 | 98.8 Ų | 98.8 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -48.7 | 175.2 | -179.7 | -85.8 | 0 | 0 | 0 | 112.1 | T42 R43 K44 L48 E49 Q50 | T42-W46 WeakPolarHBondContact O-CB 3.24Å; T42-W46 PolarHBondContact O-N 3.07Å; R43-W46 WeakPolarHBondContact O-CB 3.41Å; R43-W46 PolarHBondContact O-N 2.95Å; K44-W46 VanDerWaalsContact C-N 3.33Å; W46-L48 VanDerWaalsContact C-N 3.3Å; W46-L48 PolarHBondContact O-N 3.31Å; W46-E49 PolarHBondContact O-N 3.42Å; W46-Q50 WeakPolarHBondContact O-CG 3.36Å; W46-Q50 PolarHBondContact O-N 3.16Å |
| 47 | D | 97.9 | Very high | 97 | Very high | 68 Ų | 68 | 97.8 Ų | 97.8 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 179.2 | -66.3 | -19 | 0 | 0 | 0 | 111.1 | R43 K44 Q50 Q51 | R43-D47 VanDerWaalsContact O-CG 3.27Å; R43-D47 PolarHBondContact O-N 3.39Å; K44-D47 PolarHBondContact O-N 2.82Å; D47-Q50 PolarHBondContact O-N 2.87Å; D47-Q51 WeakPolarHBondContact O-CB 3.31Å; D47-Q51 PolarHBondContact O-N 3.15Å |
| 48 | L | 98.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 98.2 Ų | 98.2 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.7 | -72.9 | 172.9 | 0 | 0 | 0 | 112.1 | K44 L45 W46 Q50 Q51 V52 | K44-L48 WeakPolarHBondContact O-CB 3.41Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.44Å; K44-L48 PolarHBondContact O-N 2.93Å; L45-L48 PolarHBondContact O-N 3.45Å; W46-L48 VanDerWaalsContact C-N 3.3Å; W46-L48 PolarHBondContact O-N 3.31Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.87Å; L48-Q51 PolarHBondContact O-N 2.89Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 2.93Å |
| 49 | E | 97.8 | Very high | 97.5 | Very high | 92 Ų | 92 | 97.1 Ų | 97.1 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 176.5 | -169.9 | -170.8 | 154.1 | 0 | 0 | 111.2 | L45 W46 V52 K53 | L45-E49 WeakPolarHBondContact O-CB 3.47Å; L45-E49 PolarHBondContact O-N 3.44Å; W46-E49 PolarHBondContact O-N 3.42Å; E49-V52 PolarHBondContact O-N 3.36Å; E49-K53 WeakPolarHBondContact O-CG 3.24Å; E49-K53 PolarHBondContact O-N 2.99Å; E49-K53 WeakPolarHBondContact OE1-CE 3.39Å; E49-K53 IonicContact OE1-NZ 2.81Å; E49-K53 PolarHBondContact OE1-NZ 2.83Å |
| 50 | Q | 98.1 | Very high | 97.8 | Very high | 80 Ų | 80 | 98.6 Ų | 98.6 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.8 | -68 | -60.7 | -32.1 | 0 | 0 | 111.9 | W46 D47 L48 K53 A54 | W46-Q50 WeakPolarHBondContact O-CG 3.36Å; W46-Q50 PolarHBondContact O-N 3.16Å; D47-Q50 PolarHBondContact O-N 2.87Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.87Å; Q50-K53 PolarHBondContact O-N 3.48Å; Q50-A54 PolarHBondContact O-N 3.36Å |
| 51 | Q | 98.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.2 | -174.9 | 175.1 | -9.7 | 0 | 0 | 112 | D47 L48 K53 A54 Q55 | D47-Q51 WeakPolarHBondContact O-CB 3.31Å; D47-Q51 PolarHBondContact O-N 3.15Å; L48-Q51 PolarHBondContact O-N 2.89Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.46Å; Q51-A54 PolarHBondContact O-N 3.14Å; Q51-Q55 WeakPolarHBondContact O-CB 3.49Å; Q51-Q55 WeakPolarHBondContact O-CG 3.49Å; Q51-Q55 PolarHBondContact O-N 2.81Å |
| 52 | V | 98.4 | Very high | 98 | Very high | 85 Ų | 85 | 96.9 Ų | 96.9 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.4 | 169 | 0 | 0 | 0 | 0 | 110.9 | L48 E49 Q55 T56 | L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 2.93Å; E49-V52 PolarHBondContact O-N 3.36Å; V52-Q55 PolarHBondContact O-N 2.97Å; V52-T56 WeakPolarHBondContact O-CB 3.48Å; V52-T56 PolarHBondContact O-N 3.25Å; V52-T56 PolarHBondContact O-OG1 2.96Å |
| 53 | K | 98.1 | Very high | 98.1 | Very high | 93 Ų | 93 | 97 Ų | 97 | 40% | 0.404 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 175.5 | -73.7 | 172.8 | -174.4 | 166.8 | 0 | 111.3 | E49 Q50 Q51 Q55 T56 D57 | E49-K53 WeakPolarHBondContact O-CG 3.24Å; E49-K53 PolarHBondContact O-N 2.99Å; E49-K53 WeakPolarHBondContact OE1-CE 3.39Å; E49-K53 IonicContact OE1-NZ 2.81Å; E49-K53 PolarHBondContact OE1-NZ 2.83Å; Q50-K53 PolarHBondContact O-N 3.48Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.46Å; K53-Q55 VanDerWaalsContact C-N 3.31Å; K53-Q55 PolarHBondContact O-N 3.22Å; K53-T56 WeakPolarHBondContact O-CB 3.33Å; K53-T56 PolarHBondContact O-N 3.31Å; K53-T56 VanDerWaalsContact O-N 3.09Å; K53-D57 PolarHBondContact O-N 2.88Å |
| 54 | A | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q50 Q51 D57 E58 | Q50-A54 PolarHBondContact O-N 3.36Å; Q51-A54 PolarHBondContact O-N 3.14Å; A54-D57 PolarHBondContact O-N 2.84Å; A54-E58 PolarHBondContact O-N 2.88Å |
| 55 | Q | 98.4 | Very high | 98.2 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 175.9 | -74.7 | 179.7 | -12.5 | 0 | 0 | 112.2 | Q51 V52 K53 E58 I59 | Q51-Q55 WeakPolarHBondContact O-CB 3.49Å; Q51-Q55 WeakPolarHBondContact O-CG 3.49Å; Q51-Q55 PolarHBondContact O-N 2.81Å; V52-Q55 PolarHBondContact O-N 2.97Å; K53-Q55 VanDerWaalsContact C-N 3.31Å; K53-Q55 PolarHBondContact O-N 3.22Å; Q55-E58 PolarHBondContact O-N 3.49Å; Q55-I59 VanDerWaalsContact O-CG1 3.26Å; Q55-I59 WeakPolarHBondContact O-CG1 3.29Å; Q55-I59 PolarHBondContact O-N 3.24Å |
| 56 | T | 98.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 96 Ų | 96 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 177.2 | -55 | 0 | 0 | 0 | 0 | 110.6 | V52 K53 E58 I59 L60 | V52-T56 WeakPolarHBondContact O-CB 3.48Å; V52-T56 PolarHBondContact O-N 3.25Å; V52-T56 PolarHBondContact O-OG1 2.96Å; K53-T56 WeakPolarHBondContact O-CB 3.33Å; K53-T56 PolarHBondContact O-N 3.31Å; K53-T56 VanDerWaalsContact O-N 3.09Å; T56-E58 VanDerWaalsContact C-N 3.32Å; T56-E58 PolarHBondContact O-N 3.45Å; T56-I59 PolarHBondContact O-N 3.01Å; T56-L60 HydrophobicContact CG2-CD1 4.41Å; T56-L60 WeakPolarHBondContact O-CG 3.42Å; T56-L60 PolarHBondContact O-N 3.47Å |
| 57 | D | 98.1 | Very high | 98.2 | Very high | 108 Ų | 108 | 91.5 Ų | 91.5 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 176.8 | -66.5 | -23.6 | 0 | 0 | 0 | 111.9 | K53 A54 L60 S61 | K53-D57 PolarHBondContact O-N 2.88Å; A54-D57 PolarHBondContact O-N 2.84Å; D57-L60 PolarHBondContact O-N 3.42Å; D57-S61 WeakPolarHBondContact O-CB 3.46Å; D57-S61 PolarHBondContact O-N 2.97Å |
| 58 | E | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 91.3 Ų | 91.3 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.6 | -169.6 | -172.6 | 165 | 0 | 0 | 112.1 | A54 Q55 T56 S61 K62 | A54-E58 PolarHBondContact O-N 2.88Å; Q55-E58 PolarHBondContact O-N 3.49Å; T56-E58 VanDerWaalsContact C-N 3.32Å; T56-E58 PolarHBondContact O-N 3.45Å; E58-S61 PolarHBondContact O-N 3.5Å; E58-K62 HydrophobicContact CG-CD 4.29Å; E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 3.24Å; E58-K62 VanDerWaalsContact OE1-CE 3.25Å; E58-K62 WeakPolarHBondContact OE1-CE 3.4Å; E58-K62 IonicContact OE1-NZ 2.83Å; E58-K62 PolarHBondContact OE1-NZ 3.36Å |
| 59 | I | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 91 Ų | 91 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 175.8 | -71.4 | 165.5 | 0 | 0 | 0 | 109.8 | Q55 T56 S61 K62 D63 | Q55-I59 VanDerWaalsContact O-CG1 3.26Å; Q55-I59 WeakPolarHBondContact O-CG1 3.29Å; Q55-I59 PolarHBondContact O-N 3.24Å; T56-I59 PolarHBondContact O-N 3.01Å; I59-S61 VanDerWaalsContact C-N 3.3Å; I59-S61 PolarHBondContact O-N 2.96Å; I59-K62 CarbonylContact O-C 3.59Å; I59-K62 WeakPolarHBondContact O-CB 3.43Å; I59-K62 PolarHBondContact O-N 2.88Å; I59-K62 VanDerWaalsContact O-N 3.07Å; I59-D63 PolarHBondContact O-N 3.21Å |
| 60 | L | 98.5 | Very high | 98 | Very high | 90 Ų | 90 | 92.6 Ų | 92.6 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 178.6 | -68.2 | 174.9 | 0 | 0 | 0 | 112.3 | T56 D57 K62 D63 Q64 | T56-L60 HydrophobicContact CG2-CD1 4.41Å; T56-L60 WeakPolarHBondContact O-CG 3.42Å; T56-L60 PolarHBondContact O-N 3.47Å; D57-L60 PolarHBondContact O-N 3.42Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-D63 PolarHBondContact O-N 2.93Å; L60-Q64 VanDerWaalsContact O-CG 3.31Å; L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.5Å |
| 61 | S | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 93.8 Ų | 93.8 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | D57 E58 I59 K65 | D57-S61 WeakPolarHBondContact O-CB 3.46Å; D57-S61 PolarHBondContact O-N 2.97Å; E58-S61 PolarHBondContact O-N 3.5Å; I59-S61 VanDerWaalsContact C-N 3.3Å; I59-S61 PolarHBondContact O-N 2.96Å; S61-K65 PolarHBondContact O-N 2.9Å; S61-K65 VanDerWaalsContact O-N 3.1Å |
| 62 | K | 98.6 | Very high | 97.5 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 176.7 | -75.5 | 170.2 | 170.5 | 169.9 | 0 | 111.7 | E58 I59 L60 Q64 K65 I66 | E58-K62 HydrophobicContact CG-CD 4.29Å; E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 3.24Å; E58-K62 VanDerWaalsContact OE1-CE 3.25Å; E58-K62 WeakPolarHBondContact OE1-CE 3.4Å; E58-K62 IonicContact OE1-NZ 2.83Å; E58-K62 PolarHBondContact OE1-NZ 3.36Å; I59-K62 CarbonylContact O-C 3.59Å; I59-K62 WeakPolarHBondContact O-CB 3.43Å; I59-K62 PolarHBondContact O-N 2.88Å; I59-K62 VanDerWaalsContact O-N 3.07Å; L60-K62 VanDerWaalsContact C-N 3.35Å; K62-Q64 PolarHBondContact O-N 3.14Å; K62-K65 CarbonylContact O-C 3.14Å; K62-K65 WeakPolarHBondContact O-CB 3.38Å; K62-K65 PolarHBondContact O-N 3.42Å; K62-K65 VanDerWaalsContact O-N 3.13Å; K62-I66 VanDerWaalsContact O-CG1 3.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.33Å; K62-I66 PolarHBondContact O-N 3.45Å |
| 63 | D | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 93 Ų | 93 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.4 | -70.8 | -20 | 0 | 0 | 0 | 111.4 | I59 L60 K65 I66 A67 | I59-D63 PolarHBondContact O-N 3.21Å; L60-D63 PolarHBondContact O-N 2.93Å; D63-K65 VanDerWaalsContact C-N 3.3Å; D63-K65 PolarHBondContact O-N 3.13Å; D63-I66 PolarHBondContact O-N 3.12Å; D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.06Å |
| 64 | Q | 98.3 | Very high | 96.6 | Very high | 140 Ų | 140 | 94.4 Ų | 94.4 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 173.1 | -72.6 | 171.9 | 21.1 | 0 | 0 | 111.9 | L60 K62 A67 A68 | L60-Q64 VanDerWaalsContact O-CG 3.31Å; L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.5Å; K62-Q64 PolarHBondContact O-N 3.14Å; Q64-A67 PolarHBondContact O-N 3.37Å; Q64-A68 WeakPolarHBondContact O-CB 3.38Å; Q64-A68 PolarHBondContact O-N 3.24Å |
| 65 | K | 98.3 | Very high | 95.8 | Very high | 142 Ų | 142 | 96 Ų | 96 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 177.1 | -175.4 | 174.3 | -179.1 | 176.5 | 0 | 111.8 | S61 K62 D63 A68 L69 | S61-K65 PolarHBondContact O-N 2.9Å; S61-K65 VanDerWaalsContact O-N 3.1Å; K62-K65 CarbonylContact O-C 3.14Å; K62-K65 WeakPolarHBondContact O-CB 3.38Å; K62-K65 PolarHBondContact O-N 3.42Å; K62-K65 VanDerWaalsContact O-N 3.13Å; D63-K65 VanDerWaalsContact C-N 3.3Å; D63-K65 PolarHBondContact O-N 3.13Å; K65-A68 PolarHBondContact O-N 2.91Å; K65-L69 HydrophobicContact CG-CD1 4.03Å; K65-L69 HydrophobicContact CG-CG 4.4Å; K65-L69 WeakPolarHBondContact O-CB 3.45Å; K65-L69 VanDerWaalsContact O-CG 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.37Å; K65-L69 PolarHBondContact O-N 2.83Å |
| 66 | I | 98 | Very high | 95 | Very high | 81 Ų | 81 | 97.3 Ų | 97.3 | 42% | 0.415 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 175.6 | -70.5 | 164.1 | 0 | 0 | 0 | 109.1 | K62 D63 A68 L69 E70 | K62-I66 VanDerWaalsContact O-CG1 3.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.33Å; K62-I66 PolarHBondContact O-N 3.45Å; D63-I66 PolarHBondContact O-N 3.12Å; I66-A68 VanDerWaalsContact C-N 3.32Å; I66-A68 PolarHBondContact O-N 3.29Å; I66-L69 PolarHBondContact O-N 2.77Å; I66-L69 VanDerWaalsContact O-N 3.11Å; I66-E70 HydrophobicContact CG2-CG 4.16Å; I66-E70 WeakPolarHBondContact CG2-OE1 3.31Å; I66-E70 WeakPolarHBondContact O-CB 3.37Å; I66-E70 VanDerWaalsContact O-CG 3.31Å; I66-E70 WeakPolarHBondContact O-CG 3.43Å; I66-E70 PolarHBondContact O-N 3.32Å |
| 67 | A | 97.7 | Very high | 94 | Very high | 53 Ų | 53 | 102 Ų | 102 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D63 Q64 E70 D71 | D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.06Å; Q64-A67 PolarHBondContact O-N 3.37Å; A67-E70 PolarHBondContact O-N 3.42Å; A67-D71 PolarHBondContact O-N 2.83Å |
| 68 | A | 97.3 | Very high | 92.2 | Very high | 63 Ų | 63 | 101.5 Ų | 101.5 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q64 K65 I66 L72 | Q64-A68 WeakPolarHBondContact O-CB 3.38Å; Q64-A68 PolarHBondContact O-N 3.24Å; K65-A68 PolarHBondContact O-N 2.91Å; I66-A68 VanDerWaalsContact C-N 3.32Å; I66-A68 PolarHBondContact O-N 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.32Å; A68-L72 PolarHBondContact O-N 3.49Å; A68-L72 VanDerWaalsContact O-N 3.07Å |
| 69 | L | 96.6 | Very high | 90.4 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.6 | -37.3 | 176.3 | -71.9 | 174 | 0 | 0 | 0 | 111.8 | K65 I66 L72 V73 | K65-L69 HydrophobicContact CG-CD1 4.03Å; K65-L69 HydrophobicContact CG-CG 4.4Å; K65-L69 WeakPolarHBondContact O-CB 3.45Å; K65-L69 VanDerWaalsContact O-CG 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.37Å; K65-L69 PolarHBondContact O-N 2.83Å; I66-L69 PolarHBondContact O-N 2.77Å; I66-L69 VanDerWaalsContact O-N 3.11Å; L69-L72 PolarHBondContact O-N 3.37Å; L69-V73 WeakPolarHBondContact O-CB 3.21Å; L69-V73 VanDerWaalsContact O-CG2 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.06Å; L69-V73 PolarHBondContact O-N 2.78Å |
| 70 | E | 94.5 | Very high | 89 | Confident | 126 Ų | 126 | 102.5 Ų | 102.5 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 175.1 | -74.7 | 175.7 | 167.9 | 0 | 0 | 111.5 | I66 A67 V73 Q74 | I66-E70 HydrophobicContact CG2-CG 4.16Å; I66-E70 WeakPolarHBondContact CG2-OE1 3.31Å; I66-E70 WeakPolarHBondContact O-CB 3.37Å; I66-E70 VanDerWaalsContact O-CG 3.31Å; I66-E70 WeakPolarHBondContact O-CG 3.43Å; I66-E70 PolarHBondContact O-N 3.32Å; A67-E70 PolarHBondContact O-N 3.42Å; E70-V73 PolarHBondContact O-N 2.86Å; E70-Q74 WeakPolarHBondContact O-CB 3.38Å; E70-Q74 PolarHBondContact O-N 2.88Å |
| 71 | D | 93.6 | Very high | 87.4 | Confident | 106 Ų | 106 | 101.2 Ų | 101.2 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 174.4 | -171.9 | 55.9 | 0 | 0 | 0 | 111.7 | A67 V73 Q74 T75 | A67-D71 PolarHBondContact O-N 2.83Å; D71-V73 PolarHBondContact O-N 2.86Å; D71-Q74 PolarHBondContact O-N 3.46Å; D71-T75 WeakPolarHBondContact O-CG2 3.29Å; D71-T75 PolarHBondContact O-N 3.22Å; D71-T75 PolarHBondContact O-OG1 3.27Å |
| 72 | L | 93.3 | Very high | 85.9 | Confident | 88 Ų | 88 | 104 Ų | 104 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 174.4 | -174.5 | 65 | 0 | 0 | 0 | 111.9 | A68 L69 Q74 T75 L76 | A68-L72 WeakPolarHBondContact O-CB 3.32Å; A68-L72 PolarHBondContact O-N 3.49Å; A68-L72 VanDerWaalsContact O-N 3.07Å; L69-L72 PolarHBondContact O-N 3.37Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 PolarHBondContact O-N 2.85Å; L72-T75 WeakPolarHBondContact CA-OG1 3.47Å; L72-T75 PolarHBondContact O-N 2.85Å; L72-T75 PolarHBondContact O-OG1 3.07Å; L72-L76 HydrophobicContact CD1-CD1 3.9Å; L72-L76 HydrophobicContact CD1-CG 4.01Å; L72-L76 HydrophobicContact CD2-CD1 4.33Å; L72-L76 HydrophobicContact CG-CD1 3.75Å; L72-L76 HydrophobicContact CG-CG 4.22Å; L72-L76 WeakPolarHBondContact O-CB 3.48Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 3.47Å |
| 73 | V | 89.8 | Confident | 84.7 | Confident | 87 Ų | 87 | 100 Ų | 100 | 53% | 0.527 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 111 | L69 E70 D71 R77 | L69-V73 WeakPolarHBondContact O-CB 3.21Å; L69-V73 VanDerWaalsContact O-CG2 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.06Å; L69-V73 PolarHBondContact O-N 2.78Å; E70-V73 PolarHBondContact O-N 2.86Å; D71-V73 PolarHBondContact O-N 2.86Å; V73-R77 VanDerWaalsContact O-CB 3.29Å; V73-R77 WeakPolarHBondContact O-CB 3.22Å; V73-R77 PolarHBondContact O-N 3.43Å |
| 74 | Q | 87.3 | Confident | 83.8 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69 | -39.2 | 178.6 | -172.4 | 61 | 42.1 | 0 | 0 | 112.2 | E70 D71 L72 | E70-Q74 WeakPolarHBondContact O-CB 3.38Å; E70-Q74 PolarHBondContact O-N 2.88Å; D71-Q74 PolarHBondContact O-N 3.46Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 PolarHBondContact O-N 2.85Å |
| 75 | T | 82 | Confident | 83.1 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.6 | -37.1 | 176.6 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | D71 L72 | D71-T75 WeakPolarHBondContact O-CG2 3.29Å; D71-T75 PolarHBondContact O-N 3.22Å; D71-T75 PolarHBondContact O-OG1 3.27Å; L72-T75 WeakPolarHBondContact CA-OG1 3.47Å; L72-T75 PolarHBondContact O-N 2.85Å; L72-T75 PolarHBondContact O-OG1 3.07Å |
| 76 | L | 81.2 | Confident | 82.4 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 64% | 0.644 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.2 | -20.1 | 176 | -69.1 | 178.3 | 0 | 0 | 0 | 112.9 | L72 P78 | L72-L76 HydrophobicContact CD1-CD1 3.9Å; L72-L76 HydrophobicContact CD1-CG 4.01Å; L72-L76 HydrophobicContact CD2-CD1 4.33Å; L72-L76 HydrophobicContact CG-CD1 3.75Å; L72-L76 HydrophobicContact CG-CG 4.22Å; L72-L76 WeakPolarHBondContact O-CB 3.48Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 3.47Å; L76-P78 WeakPolarHBondContact O-CD 3.19Å |
| 77 | R | 77.4 | Confident | 82 | Confident | 169 Ų | 169 | 99.1 Ų | 99.1 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -59.2 | 110 | 170.1 | -114.1 | -178.5 | 173.7 | 161.3 | -1.4 | 106.7 | V73 H79 | V73-R77 VanDerWaalsContact O-CB 3.29Å; V73-R77 WeakPolarHBondContact O-CB 3.22Å; V73-R77 PolarHBondContact O-N 3.43Å; R77-H79 PolarHBondContact O-N 2.94Å |
| 78 | P | 61 | Low | 81.6 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | trans | -55.4 | 142.7 | 168.7 | -13.1 | 28.5 | 0 | 0 | 0 | 106.4 | L76 | L76-P78 WeakPolarHBondContact O-CD 3.19Š| ||
| 79 | H | 59.8 | Low | 81.4 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 65% | 0.648 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -22.5 | 133.1 | 172.6 | -162.4 | 54.7 | 0 | 0 | 0 | 112.3 | R77 A81 A83 | R77-H79 PolarHBondContact O-N 2.94Å; H79-A81 PolarHBondContact O-N 3.4Å; H79-A83 WeakPolarHBondContact CD2-CB 3.45Å |
| 80 | P | 68.4 | Low | 81.3 | Confident | 75 Ų | 75 | 104.6 Ų | 104.6 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | trans | -39.9 | 128.1 | -162.1 | 17.5 | -32.3 | 0 | 0 | 0 | 110.4 | E82 A83 | P80-E82 CarbonylContact O-C 3.59Å; P80-E82 PolarHBondContact O-N 2.62Å; P80-A83 PolarHBondContact O-N 3.13Å | ||
| 81 | A | 64.8 | Low | 81.4 | Confident | 63 Ų | 63 | 102.5 Ų | 102.5 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -45 | -30.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H79 A83 T84 L85 | H79-A81 PolarHBondContact O-N 3.4Å; A81-A83 PolarHBondContact O-N 2.72Å; A81-T84 WeakPolarHBondContact CA-OG1 3.4Å; A81-T84 PolarHBondContact O-N 3.01Å; A81-T84 PolarHBondContact O-OG1 3.48Å; A81-L85 WeakPolarHBondContact O-CB 3.5Å; A81-L85 WeakPolarHBondContact O-CG 3.38Å; A81-L85 PolarHBondContact O-N 2.82Å |
| 82 | E | 67.8 | Low | 81.5 | Confident | 131 Ų | 131 | 102.4 Ų | 102.4 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -53 | -45.4 | 170.3 | -67.4 | 93.5 | -170.7 | 0 | 0 | 114.5 | P80 L85 Q86 | P80-E82 CarbonylContact O-C 3.59Å; P80-E82 PolarHBondContact O-N 2.62Å; E82-L85 PolarHBondContact O-N 3.07Å; E82-Q86 WeakPolarHBondContact O-CB 3.33Å; E82-Q86 WeakPolarHBondContact O-CG 3.29Å; E82-Q86 PolarHBondContact O-N 3.43Å |
| 83 | A | 73.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 101.6 Ų | 101.6 | 22% | 0.215 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H79 P80 A81 R87 | H79-A83 WeakPolarHBondContact CD2-CB 3.45Å; P80-A83 PolarHBondContact O-N 3.13Å; A81-A83 PolarHBondContact O-N 2.72Å; A83-R87 WeakPolarHBondContact O-CB 3.15Å; A83-R87 PolarHBondContact O-N 3.32Å |
| 84 | T | 78.1 | Confident | 82 | Confident | 66 Ų | 66 | 101.8 Ų | 101.8 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 171.1 | 54.2 | 0 | 0 | 0 | 0 | 112 | A81 R87 Q88 | A81-T84 WeakPolarHBondContact CA-OG1 3.4Å; A81-T84 PolarHBondContact O-N 3.01Å; A81-T84 PolarHBondContact O-OG1 3.48Å; T84-R87 PolarHBondContact O-N 3.1Å; T84-Q88 WeakPolarHBondContact O-CB 3.24Å; T84-Q88 PolarHBondContact O-N 3.41Å |
| 85 | L | 83.5 | Confident | 82.5 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 177 | -71.7 | 171.9 | 0 | 0 | 0 | 111.7 | A81 E82 R87 Q88 E89 | A81-L85 WeakPolarHBondContact O-CB 3.5Å; A81-L85 WeakPolarHBondContact O-CG 3.38Å; A81-L85 PolarHBondContact O-N 2.82Å; E82-L85 PolarHBondContact O-N 3.07Å; L85-R87 PolarHBondContact O-N 2.96Å; L85-Q88 WeakPolarHBondContact O-CB 3.36Å; L85-Q88 PolarHBondContact O-N 3.49Å; L85-E89 PolarHBondContact O-N 2.99Å |
| 86 | Q | 85.1 | Confident | 83.2 | Confident | 120 Ų | 120 | 98.8 Ų | 98.8 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | 173.9 | -77.7 | 176.7 | -7.6 | 0 | 0 | 111.2 | E82 Q88 E89 E90 | E82-Q86 WeakPolarHBondContact O-CB 3.33Å; E82-Q86 WeakPolarHBondContact O-CG 3.29Å; E82-Q86 PolarHBondContact O-N 3.43Å; Q86-Q88 VanDerWaalsContact C-N 3.27Å; Q86-Q88 PolarHBondContact O-N 2.91Å; Q86-E89 PolarHBondContact O-N 3.4Å; Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.01Å |
| 87 | R | 88.2 | Confident | 84 | Confident | 141 Ų | 141 | 99.3 Ų | 99.3 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 177.1 | -177.8 | 56.3 | 177.9 | -172.7 | 1.2 | 112.1 | A83 T84 L85 E90 L91 | A83-R87 WeakPolarHBondContact O-CB 3.15Å; A83-R87 PolarHBondContact O-N 3.32Å; T84-R87 PolarHBondContact O-N 3.1Å; L85-R87 PolarHBondContact O-N 2.96Å; R87-E90 IonicContact NH1-OE2 2.68Å; R87-E90 PolarHBondContact NH1-OE2 3.41Å; R87-L91 HydrophobicContact CG-CD1 4.39Å; R87-L91 VanDerWaalsContact O-CG 3.31Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 2.93Å; R87-L91 VanDerWaalsContact O-N 3.13Å |
| 88 | Q | 90.3 | Very high | 85 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 175.3 | 179.4 | 177.5 | -17.9 | 0 | 0 | 111.3 | T84 L85 Q86 E90 L91 E92 | T84-Q88 WeakPolarHBondContact O-CB 3.24Å; T84-Q88 PolarHBondContact O-N 3.41Å; L85-Q88 WeakPolarHBondContact O-CB 3.36Å; L85-Q88 PolarHBondContact O-N 3.49Å; Q86-Q88 VanDerWaalsContact C-N 3.27Å; Q86-Q88 PolarHBondContact O-N 2.91Å; Q88-E90 PolarHBondContact O-N 3.27Å; Q88-L91 PolarHBondContact O-N 2.94Å; Q88-L91 VanDerWaalsContact O-N 3.14Å; Q88-E92 HydrophobicContact CG-CG 4.46Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.31Å; Q88-E92 PolarHBondContact NE2-OE1 2.97Å; Q88-E92 WeakPolarHBondContact O-CG 3.44Å; Q88-E92 PolarHBondContact O-N 3.35Å |
| 89 | E | 92.3 | Very high | 86.6 | Confident | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.8 | -42.3 | 178.1 | -173.1 | 177.4 | -172.8 | 0 | 0 | 111.9 | L85 Q86 L91 E92 T93 | L85-E89 PolarHBondContact O-N 2.99Å; Q86-E89 PolarHBondContact O-N 3.4Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.33Å; E89-E92 PolarHBondContact O-N 3.46Å; E89-T93 WeakPolarHBondContact O-CG2 3.25Å; E89-T93 PolarHBondContact O-N 3.34Å; E89-T93 PolarHBondContact O-OG1 2.8Å; E89-T93 VanDerWaalsContact O-OG1 3.12Å |
| 90 | E | 94.8 | Very high | 88.4 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 172.4 | -74 | 174.7 | -177.9 | 0 | 0 | 112.1 | Q86 R87 Q88 T93 M94 | Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.01Å; R87-E90 IonicContact NH1-OE2 2.68Å; R87-E90 PolarHBondContact NH1-OE2 3.41Å; Q88-E90 PolarHBondContact O-N 3.27Å; E90-T93 WeakPolarHBondContact CA-OG1 3.38Å; E90-T93 PolarHBondContact O-N 3.42Å; E90-T93 PolarHBondContact O-OG1 3.11Å; E90-M94 WeakPolarHBondContact O-CB 3.29Å; E90-M94 WeakPolarHBondContact O-CG 3.5Å; E90-M94 PolarHBondContact O-N 2.98Å |
| 91 | L | 96 | Very high | 89.8 | Confident | 81 Ų | 81 | 99.4 Ų | 99.4 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 178.9 | -72.8 | 171.7 | 0 | 0 | 0 | 112.1 | R87 Q88 E89 M94 C95 | R87-L91 HydrophobicContact CG-CD1 4.39Å; R87-L91 VanDerWaalsContact O-CG 3.31Å; R87-L91 WeakPolarHBondContact O-CG 3.44Å; R87-L91 PolarHBondContact O-N 2.93Å; R87-L91 VanDerWaalsContact O-N 3.13Å; Q88-L91 PolarHBondContact O-N 2.94Å; Q88-L91 VanDerWaalsContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.33Å; L91-M94 HydrophobicContact CD2-CE 4.14Å; L91-M94 PolarHBondContact O-N 2.94Å; L91-C95 VanDerWaalsContact O-CB 3.29Å; L91-C95 WeakPolarHBondContact O-CB 3.26Å; L91-C95 PolarHBondContact O-N 3.27Å |
| 92 | E | 96.3 | Very high | 91.2 | Very high | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.5 | -74 | 176.5 | -169.1 | 0 | 0 | 111 | Q88 E89 M94 C95 V96 | Q88-E92 HydrophobicContact CG-CG 4.46Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.31Å; Q88-E92 PolarHBondContact NE2-OE1 2.97Å; Q88-E92 WeakPolarHBondContact O-CG 3.44Å; Q88-E92 PolarHBondContact O-N 3.35Å; E89-E92 PolarHBondContact O-N 3.46Å; E92-M94 PolarHBondContact O-N 2.98Å; E92-C95 WeakPolarHBondContact O-CB 3.47Å; E92-C95 PolarHBondContact O-N 3.03Å; E92-V96 WeakPolarHBondContact O-CG2 3.37Å; E92-V96 PolarHBondContact O-N 3.35Å |
| 93 | T | 96.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 99.9 Ų | 99.9 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | E89 E90 V96 Q97 | E89-T93 WeakPolarHBondContact O-CG2 3.25Å; E89-T93 PolarHBondContact O-N 3.34Å; E89-T93 PolarHBondContact O-OG1 2.8Å; E89-T93 VanDerWaalsContact O-OG1 3.12Å; E90-T93 WeakPolarHBondContact CA-OG1 3.38Å; E90-T93 PolarHBondContact O-N 3.42Å; E90-T93 PolarHBondContact O-OG1 3.11Å; T93-V96 PolarHBondContact O-N 3.02Å; T93-Q97 WeakPolarHBondContact O-CG 3.44Å; T93-Q97 PolarHBondContact O-N 2.82Å |
| 94 | M | 97.3 | Very high | 93.6 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 172.5 | -79.8 | 177 | 30.3 | 0 | 0 | 112.4 | E90 L91 E92 V96 Q97 L98 | E90-M94 WeakPolarHBondContact O-CB 3.29Å; E90-M94 WeakPolarHBondContact O-CG 3.5Å; E90-M94 PolarHBondContact O-N 2.98Å; L91-M94 HydrophobicContact CD2-CE 4.14Å; L91-M94 PolarHBondContact O-N 2.94Å; E92-M94 PolarHBondContact O-N 2.98Å; M94-V96 VanDerWaalsContact C-N 3.35Å; M94-V96 PolarHBondContact O-N 3.43Å; M94-Q97 PolarHBondContact O-N 2.96Å; M94-L98 WeakPolarHBondContact O-CB 3.31Å; M94-L98 WeakPolarHBondContact O-CG 3.34Å; M94-L98 PolarHBondContact O-N 3.41Å |
| 95 | C | 97.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 102.9 Ų | 102.9 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 179.2 | -170 | 0 | 0 | 0 | 0 | 111 | L91 E92 Q97 L98 Q99 | L91-C95 VanDerWaalsContact O-CB 3.29Å; L91-C95 WeakPolarHBondContact O-CB 3.26Å; L91-C95 PolarHBondContact O-N 3.27Å; E92-C95 WeakPolarHBondContact O-CB 3.47Å; E92-C95 PolarHBondContact O-N 3.03Å; C95-Q97 VanDerWaalsContact C-N 3.34Å; C95-Q97 PolarHBondContact O-N 3.43Å; C95-L98 PolarHBondContact O-N 3.39Å; C95-Q99 WeakPolarHBondContact O-CB 3.49Å; C95-Q99 VanDerWaalsContact O-CG 3.24Å; C95-Q99 WeakPolarHBondContact O-CG 3.48Å; C95-Q99 PolarHBondContact O-N 2.94Å; C95-Q99 PolarHBondContact SG-NE2 2.96Å |
| 96 | V | 97.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 102.5 Ų | 102.5 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | E92 T93 M94 Q99 R100 | E92-V96 WeakPolarHBondContact O-CG2 3.37Å; E92-V96 PolarHBondContact O-N 3.35Å; T93-V96 PolarHBondContact O-N 3.02Å; M94-V96 VanDerWaalsContact C-N 3.35Å; M94-V96 PolarHBondContact O-N 3.43Å; V96-Q99 PolarHBondContact O-N 3.4Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 PolarHBondContact O-N 2.89Å |
| 97 | Q | 97.9 | Very high | 95.1 | Very high | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 176.7 | -73.9 | 176.8 | 15 | 0 | 0 | 112 | T93 M94 C95 R100 Q101 | T93-Q97 WeakPolarHBondContact O-CG 3.44Å; T93-Q97 PolarHBondContact O-N 2.82Å; M94-Q97 PolarHBondContact O-N 2.96Å; C95-Q97 VanDerWaalsContact C-N 3.34Å; C95-Q97 PolarHBondContact O-N 3.43Å; Q97-R100 WeakPolarHBondContact O-CB 3.32Å; Q97-R100 PolarHBondContact O-N 3.42Å; Q97-Q101 PolarHBondContact O-N 2.75Å |
| 98 | L | 97.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.6 | -72.7 | 171.2 | 0 | 0 | 0 | 111.5 | M94 C95 R100 Q101 V102 | M94-L98 WeakPolarHBondContact O-CB 3.31Å; M94-L98 WeakPolarHBondContact O-CG 3.34Å; M94-L98 PolarHBondContact O-N 3.41Å; C95-L98 PolarHBondContact O-N 3.39Å; L98-R100 VanDerWaalsContact C-N 3.28Å; L98-R100 PolarHBondContact O-N 3.21Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 2.93Å; L98-Q101 VanDerWaalsContact O-N 3.14Å; L98-V102 VanDerWaalsContact O-CG2 3.31Å; L98-V102 WeakPolarHBondContact O-CG2 3.42Å; L98-V102 PolarHBondContact O-N 3.35Å |
| 99 | Q | 96.4 | Very high | 95.6 | Very high | 114 Ų | 114 | 98.6 Ų | 98.6 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 175.1 | -75.3 | 176.4 | 6.7 | 0 | 0 | 112.1 | C95 V96 R103 | C95-Q99 WeakPolarHBondContact O-CB 3.49Å; C95-Q99 VanDerWaalsContact O-CG 3.24Å; C95-Q99 WeakPolarHBondContact O-CG 3.48Å; C95-Q99 PolarHBondContact O-N 2.94Å; C95-Q99 PolarHBondContact SG-NE2 2.96Å; V96-Q99 PolarHBondContact O-N 3.4Å; Q99-R103 WeakPolarHBondContact O-CB 3.44Å; Q99-R103 PolarHBondContact O-N 3.21Å |
| 100 | R | 97.4 | Very high | 95.5 | Very high | 165 Ų | 165 | 96 Ų | 96 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 174.6 | -179.3 | -178.2 | 166.2 | -145.7 | -11.8 | 111.1 | V96 Q97 L98 R103 E104 | V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 PolarHBondContact O-N 2.89Å; Q97-R100 WeakPolarHBondContact O-CB 3.32Å; Q97-R100 PolarHBondContact O-N 3.42Å; L98-R100 VanDerWaalsContact C-N 3.28Å; L98-R100 PolarHBondContact O-N 3.21Å; R100-R103 PolarHBondContact O-N 3.32Å; R100-E104 IonicContact CZ-OE1 3.37Å; R100-E104 IonicContact NE-OE1 3.21Å; R100-E104 PolarHBondContact NE-OE1 3.45Å; R100-E104 IonicContact NH2-OE1 2.62Å; R100-E104 PolarHBondContact NH2-OE1 2.97Å; R100-E104 WeakPolarHBondContact O-CG 3.46Å; R100-E104 PolarHBondContact O-N 3.09Å |
| 101 | Q | 97.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 97.5 Ų | 97.5 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 178.1 | -175 | -178.6 | -12.1 | 0 | 0 | 111.5 | Q97 L98 R103 E104 M105 | Q97-Q101 PolarHBondContact O-N 2.75Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 2.93Å; L98-Q101 VanDerWaalsContact O-N 3.14Å; Q101-R103 VanDerWaalsContact C-N 3.32Å; Q101-R103 PolarHBondContact O-N 3.07Å; Q101-E104 WeakPolarHBondContact O-CB 3.39Å; Q101-E104 PolarHBondContact O-N 3.24Å; Q101-E104 VanDerWaalsContact O-N 3.15Å; Q101-M105 HydrophobicContact CG-SD 4.22Å; Q101-M105 WeakPolarHBondContact O-CG 3.44Å; Q101-M105 PolarHBondContact O-N 3.49Å |
| 102 | V | 94.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 101.3 Ų | 101.3 | 30% | 0.297 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | L98 E104 M105 E106 W116 | L98-V102 VanDerWaalsContact O-CG2 3.31Å; L98-V102 WeakPolarHBondContact O-CG2 3.42Å; L98-V102 PolarHBondContact O-N 3.35Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 3.47Å; V102-M105 CarbonylContact O-C 3.51Å; V102-M105 WeakPolarHBondContact O-CB 3.34Å; V102-M105 PolarHBondContact O-N 2.99Å; V102-M105 VanDerWaalsContact O-N 3.16Å; V102-E106 HydrophobicContact CG1-CG 4.24Å; V102-E106 WeakPolarHBondContact O-CB 3.45Å; V102-E106 VanDerWaalsContact O-CG 3.31Å; V102-E106 WeakPolarHBondContact O-CG 3.4Å; V102-E106 PolarHBondContact O-N 2.93Å; V102-W116 HydrophobicContact CB-CZ3 4.36Å; V102-W116 HydrophobicContact CG1-CE3 4.2Å; V102-W116 HydrophobicContact CG1-CZ3 3.86Å; V102-W116 HydrophobicContact CG2-CH2 4.42Å; V102-W116 HydrophobicContact CG2-CZ3 4.01Å |
| 103 | R | 94.5 | Very high | 95.1 | Very high | 155 Ų | 155 | 98 Ų | 98 | 59% | 0.585 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 176.4 | -172.9 | -171.6 | -59.5 | -157.5 | 0.6 | 112.8 | Q99 R100 Q101 R107 | Q99-R103 WeakPolarHBondContact O-CB 3.44Å; Q99-R103 PolarHBondContact O-N 3.21Å; R100-R103 PolarHBondContact O-N 3.32Å; Q101-R103 VanDerWaalsContact C-N 3.32Å; Q101-R103 PolarHBondContact O-N 3.07Å; R103-R107 WeakPolarHBondContact O-CG 3.35Å; R103-R107 PolarHBondContact O-N 3.29Å; R103-R107 PolarHBondContact O-NE 2.96Å |
| 104 | E | 96.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 98 Ų | 98 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.4 | -76.3 | 172.9 | -170.1 | 0 | 0 | 110.9 | R100 Q101 V102 R107 F108 | R100-E104 IonicContact CZ-OE1 3.37Å; R100-E104 IonicContact NE-OE1 3.21Å; R100-E104 PolarHBondContact NE-OE1 3.45Å; R100-E104 IonicContact NH2-OE1 2.62Å; R100-E104 PolarHBondContact NH2-OE1 2.97Å; R100-E104 WeakPolarHBondContact O-CG 3.46Å; R100-E104 PolarHBondContact O-N 3.09Å; Q101-E104 WeakPolarHBondContact O-CB 3.39Å; Q101-E104 PolarHBondContact O-N 3.24Å; Q101-E104 VanDerWaalsContact O-N 3.15Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 3.47Å; E104-R107 VanDerWaalsContact CG-NH2 3.29Å; E104-R107 PolarHBondContact O-N 3.49Å; E104-F108 WeakPolarHBondContact O-CB 3.26Å; E104-F108 PolarHBondContact O-N 2.87Å |
| 105 | M | 94 | Very high | 94.2 | Very high | 81 Ų | 81 | 99.4 Ų | 99.4 | 40% | 0.399 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 174.8 | -68.9 | 174.8 | 61.8 | 0 | 0 | 112.4 | Q101 V102 R107 F108 L109 W116 | Q101-M105 HydrophobicContact CG-SD 4.22Å; Q101-M105 WeakPolarHBondContact O-CG 3.44Å; Q101-M105 PolarHBondContact O-N 3.49Å; V102-M105 CarbonylContact O-C 3.51Å; V102-M105 WeakPolarHBondContact O-CB 3.34Å; V102-M105 PolarHBondContact O-N 2.99Å; V102-M105 VanDerWaalsContact O-N 3.16Å; M105-R107 PolarHBondContact O-N 2.97Å; M105-F108 WeakPolarHBondContact O-CB 3.45Å; M105-F108 PolarHBondContact O-N 2.92Å; M105-L109 WeakPolarHBondContact O-CD1 3.34Å; M105-L109 VanDerWaalsContact O-CG 3.24Å; M105-L109 WeakPolarHBondContact O-CG 3.49Å; M105-L109 PolarHBondContact O-N 3.27Å; M105-W116 HydrophobicContact CE-CZ3 4.28Å |
| 106 | E | 91.1 | Very high | 93.5 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.6 | -75.1 | 172.9 | 169.4 | 0 | 0 | 112.1 | V102 L109 S110 W116 | V102-E106 HydrophobicContact CG1-CG 4.24Å; V102-E106 WeakPolarHBondContact O-CB 3.45Å; V102-E106 VanDerWaalsContact O-CG 3.31Å; V102-E106 WeakPolarHBondContact O-CG 3.4Å; V102-E106 PolarHBondContact O-N 2.93Å; E106-L109 PolarHBondContact O-N 3.12Å; E106-S110 WeakPolarHBondContact O-CB 3.47Å; E106-S110 PolarHBondContact O-N 3.22Å; E106-W116 HydrophobicContact CG-CE3 4.5Å |
| 107 | R | 94 | Very high | 92.8 | Very high | 135 Ų | 135 | 100.8 Ų | 100.8 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 174.8 | -75.3 | -175.7 | -64.5 | -175.9 | 3.3 | 111.5 | R103 E104 M105 L109 S110 D111 | R103-R107 WeakPolarHBondContact O-CG 3.35Å; R103-R107 PolarHBondContact O-N 3.29Å; R103-R107 PolarHBondContact O-NE 2.96Å; E104-R107 VanDerWaalsContact CG-NH2 3.29Å; E104-R107 PolarHBondContact O-N 3.49Å; M105-R107 PolarHBondContact O-N 2.97Å; R107-L109 VanDerWaalsContact C-N 3.25Å; R107-L109 PolarHBondContact O-N 3.42Å; R107-S110 WeakPolarHBondContact CA-OG 3.42Å; R107-S110 PolarHBondContact O-N 3.4Å; R107-S110 PolarHBondContact O-OG 3.05Å; R107-D111 PolarHBondContact O-N 3.49Å; R107-D111 VanDerWaalsContact O-N 3.11Å |
| 108 | F | 95.6 | Very high | 91.9 | Very high | 121 Ų | 121 | 95.7 Ų | 95.7 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.2 | -44.1 | 176.6 | 176.8 | -94.5 | 0 | 0 | 0 | 111.4 | E104 M105 D111 Y112 | E104-F108 WeakPolarHBondContact O-CB 3.26Å; E104-F108 PolarHBondContact O-N 2.87Å; M105-F108 WeakPolarHBondContact O-CB 3.45Å; M105-F108 PolarHBondContact O-N 2.92Å; F108-D111 PolarHBondContact O-N 3.26Å; F108-Y112 HydrophobicContact CD2-CE2 4.4Å; F108-Y112 HydrophobicContact CE1-CD2 4.37Å; F108-Y112 HydrophobicContact CE1-CE2 4.07Å; F108-Y112 AromaticContact CE2-CE2 3.85Å; F108-Y112 HydrophobicContact CE2-CE2 3.85Å; F108-Y112 HydrophobicContact CZ-CD2 4.4Å; F108-Y112 AromaticContact CZ-CE2 3.67Å; F108-Y112 HydrophobicContact CZ-CE2 3.67Å; F108-Y112 VanDerWaalsContact O-CD2 3.24Å; F108-Y112 WeakPolarHBondContact O-CD2 3.33Å |
| 109 | L | 93.3 | Very high | 91 | Very high | 23 Ų | 23 | 97.6 Ų | 97.6 | 12% | 0.12 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.9 | -69.8 | 162.6 | 0 | 0 | 0 | 112.2 | M105 E106 R107 D111 Y112 G113 L114 W116 W146 | M105-L109 WeakPolarHBondContact O-CD1 3.34Å; M105-L109 VanDerWaalsContact O-CG 3.24Å; M105-L109 WeakPolarHBondContact O-CG 3.49Å; M105-L109 PolarHBondContact O-N 3.27Å; E106-L109 PolarHBondContact O-N 3.12Å; R107-L109 VanDerWaalsContact C-N 3.25Å; R107-L109 PolarHBondContact O-N 3.42Å; L109-D111 VanDerWaalsContact C-N 3.25Å; L109-D111 PolarHBondContact O-N 2.94Å; L109-Y112 CarbonylContact O-C 3.58Å; L109-Y112 WeakPolarHBondContact O-CA 3.5Å; L109-Y112 PolarHBondContact O-N 2.85Å; L109-G113 PolarHBondContact O-N 3.07Å; L109-L114 CarbonylContact C-O 3.14Å; L109-L114 HydrophobicContact CB-CB 3.93Å; L109-L114 WeakPolarHBondContact CB-O 3.4Å; L109-L114 HydrophobicContact CD2-CB 3.9Å; L109-L114 HydrophobicContact CD2-CD1 3.95Å; L109-L114 WeakPolarHBondContact O-CB 3.38Å; L109-L114 PolarHBondContact O-N 3.37Å; L109-W116 HydrophobicContact CD1-CB 4.2Å; L109-W146 HydrophobicContact CD1-CE3 3.95Å; L109-W146 HydrophobicContact CD1-CH2 3.88Å; L109-W146 HydrophobicContact CD1-CZ3 3.2Å; L109-W146 HydrophobicContact CD2-CE3 4.15Å; L109-W146 HydrophobicContact CD2-CZ3 4Å; L109-W146 HydrophobicContact CG-CZ3 4.22Å |
| 110 | S | 90.6 | Very high | 89.5 | Confident | 71 Ų | 71 | 96 Ų | 96 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -32.3 | -179.8 | 75.8 | 0 | 0 | 0 | 0 | 113.3 | E106 R107 Y112 G113 L114 | E106-S110 WeakPolarHBondContact O-CB 3.47Å; E106-S110 PolarHBondContact O-N 3.22Å; R107-S110 WeakPolarHBondContact CA-OG 3.42Å; R107-S110 PolarHBondContact O-N 3.4Å; R107-S110 PolarHBondContact O-OG 3.05Å; S110-Y112 PolarHBondContact O-N 2.83Å; S110-Y112 VanDerWaalsContact O-N 3.15Å; S110-G113 PolarHBondContact O-N 2.68Å; S110-L114 PolarHBondContact N-O 2.98Å |
| 111 | D | 95.1 | Very high | 87.7 | Confident | 128 Ų | 128 | 96.7 Ų | 96.7 | 68% | 0.684 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.9 | 175.4 | -65.6 | -26 | 0 | 0 | 0 | 112.1 | R107 F108 L109 | R107-D111 PolarHBondContact O-N 3.49Å; R107-D111 VanDerWaalsContact O-N 3.11Å; F108-D111 PolarHBondContact O-N 3.26Å; L109-D111 VanDerWaalsContact C-N 3.25Å; L109-D111 PolarHBondContact O-N 2.94Å |
| 112 | Y | 91.9 | Very high | 85.8 | Confident | 161 Ų | 161 | 98.9 Ų | 98.9 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 8.1 | 175.1 | -64.9 | -79.5 | 0 | 0 | 0 | 113.6 | F108 L109 S110 L114 | F108-Y112 HydrophobicContact CD2-CE2 4.4Å; F108-Y112 HydrophobicContact CE1-CD2 4.37Å; F108-Y112 HydrophobicContact CE1-CE2 4.07Å; F108-Y112 AromaticContact CE2-CE2 3.85Å; F108-Y112 HydrophobicContact CE2-CE2 3.85Å; F108-Y112 HydrophobicContact CZ-CD2 4.4Å; F108-Y112 AromaticContact CZ-CE2 3.67Å; F108-Y112 HydrophobicContact CZ-CE2 3.67Å; F108-Y112 VanDerWaalsContact O-CD2 3.24Å; F108-Y112 WeakPolarHBondContact O-CD2 3.33Å; L109-Y112 CarbonylContact O-C 3.58Å; L109-Y112 WeakPolarHBondContact O-CA 3.5Å; L109-Y112 PolarHBondContact O-N 2.85Å; S110-Y112 PolarHBondContact O-N 2.83Å; S110-Y112 VanDerWaalsContact O-N 3.15Å; Y112-L114 PolarHBondContact O-N 3.4Å |
| 113 | G | 90.4 | Very high | 83.7 | Confident | 37 Ų | 37 | 104.6 Ų | 104.6 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 7.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L109 S110 P148 | L109-G113 PolarHBondContact O-N 3.07Å; S110-G113 PolarHBondContact O-N 2.68Å; G113-P148 CarbonylContact O-C 3.53Å |
| 114 | L | 88.5 | Confident | 81.7 | Confident | 69 Ų | 69 | 104.9 Ų | 104.9 | 36% | 0.361 | 53% | 0.525 | S | S | . | . | trans | -88.3 | 141.4 | -179.3 | -59 | 173.4 | 0 | 0 | 0 | 110.8 | L109 S110 Y112 W146 | L109-L114 CarbonylContact C-O 3.14Å; L109-L114 HydrophobicContact CB-CB 3.93Å; L109-L114 WeakPolarHBondContact CB-O 3.4Å; L109-L114 HydrophobicContact CD2-CB 3.9Å; L109-L114 HydrophobicContact CD2-CD1 3.95Å; L109-L114 WeakPolarHBondContact O-CB 3.38Å; L109-L114 PolarHBondContact O-N 3.37Å; S110-L114 PolarHBondContact N-O 2.98Å; Y112-L114 PolarHBondContact O-N 3.4Å; L114-W146 HydrophobicContact CD2-CB 4.41Å | ||
| 115 | Q | 86.7 | Confident | 79.5 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.6 | 174.3 | -176.7 | 178.4 | 19.3 | 0 | 0 | 111.6 | W146 K147 | Q115-W146 VanDerWaalsContact O-CA 3.32Å; Q115-W146 WeakPolarHBondContact O-CA 3.34Å; Q115-K147 PolarHBondContact N-O 3.13Å |
| 116 | W | 83.9 | Confident | 77.2 | Confident | 96 Ų | 96 | 109.8 Ų | 109.8 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72 | 125.2 | 172.5 | -163.5 | 1.4 | 0 | 0 | 0 | 111.4 | V102 M105 E106 L109 W146 | V102-W116 HydrophobicContact CB-CZ3 4.36Å; V102-W116 HydrophobicContact CG1-CE3 4.2Å; V102-W116 HydrophobicContact CG1-CZ3 3.86Å; V102-W116 HydrophobicContact CG2-CH2 4.42Å; V102-W116 HydrophobicContact CG2-CZ3 4.01Å; M105-W116 HydrophobicContact CE-CZ3 4.28Å; E106-W116 HydrophobicContact CG-CE3 4.5Å; L109-W116 HydrophobicContact CD1-CB 4.2Å; W116-W146 HydrophobicContact CB-CE3 4.2Å; W116-W146 HydrophobicContact CB-CH2 4.19Å; W116-W146 HydrophobicContact CB-CZ3 3.43Å; W116-W146 VanDerWaalsContact CB-CZ3 3.43Å; W116-W146 AromaticContact CD1-CH2 3.62Å; W116-W146 AromaticContact CD1-CZ3 3.62Å; W116-W146 HydrophobicContact CD2-CH2 4.29Å; W116-W146 HydrophobicContact CD2-CZ3 4.41Å; W116-W146 AromaticContact CG-CH2 3.8Å; W116-W146 HydrophobicContact CG-CH2 3.8Å; W116-W146 AromaticContact CG-CZ3 3.55Å; W116-W146 HydrophobicContact CG-CZ3 3.55Å |
| 117 | V | 82.3 | Confident | 75.1 | Confident | 84 Ų | 84 | 114.7 Ų | 114.7 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | trans | -106 | -2.4 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 113.1 | F145 | V117-F145 WeakPolarHBondContact CG2-O 3.3Å; V117-F145 PolarHBondContact N-O 2.77Å | ||
| 118 | G | 79.8 | Confident | 72.7 | Confident | 26 Ų | 26 | 113.5 Ų | 113.5 | 27% | 0.268 | 60% | 0.598 | S | S | . | * | trans | 72 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F145 | G118-F145 VanDerWaalsContact O-CD1 3.27Å; G118-F145 WeakPolarHBondContact O-CD1 3.43Å | ||
| 119 | E | 78.1 | Confident | 70.1 | Confident | 139 Ų | 139 | 117.2 Ų | 117.2 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | trans | -87.2 | 132.8 | 167.5 | -173.5 | 163.6 | -152.4 | 0 | 0 | 108.8 | M121 | E119-M121 PolarHBondContact O-N 2.89Å; E119-M121 VanDerWaalsContact O-N 3.17Å | ||
| 120 | P | 64.6 | Low | 67.5 | Low | 80 Ų | 80 | 122 Ų | 122 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | trans | -63.4 | 119.2 | 173.8 | 24.6 | -30.8 | 0 | 0 | 0 | 109 | D122 | P120-D122 PolarHBondContact O-N 3.09Š| ||
| 121 | M | 59.1 | Low | 65.4 | Low | 180 Ų | 180 | 125.1 Ų | 125.1 | 89% | 0.887 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -61.5 | -10.5 | -177.6 | -99.2 | -158.2 | 157.9 | 0 | 0 | 114.8 | E119 Q123 | E119-M121 PolarHBondContact O-N 2.89Å; E119-M121 VanDerWaalsContact O-N 3.17Å; M121-Q123 VanDerWaalsContact C-N 3.26Å; M121-Q123 PolarHBondContact O-N 3.07Å |
| 122 | D | 57.4 | Low | 62.7 | Low | 152 Ų | 152 | 124.5 Ų | 124.5 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -80.2 | 6.6 | -168 | -59.4 | -35.5 | 0 | 0 | 0 | 114.9 | P120 | P120-D122 PolarHBondContact O-N 3.09Š|
| 123 | Q | 51.4 | Low | 60.8 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -117.9 | -4.8 | -170.1 | -164.3 | 141.3 | 69.9 | 0 | 0 | 116.3 | M121 | M121-Q123 VanDerWaalsContact C-N 3.26Å; M121-Q123 PolarHBondContact O-N 3.07Å |
| 124 | E | 50.9 | Low | 58.7 | Low | 162 Ų | 162 | 133.1 Ų | 133.1 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.2 | -17.8 | -179.7 | -62.4 | -153.3 | 128.6 | 0 | 0 | 114.5 | S126 | E124-S126 VanDerWaalsContact C-N 3.28Å; E124-S126 PolarHBondContact O-N 3.41Å |
| 125 | D | 49.8 | Very low | 56.5 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -87.6 | 6.6 | -176.9 | -135.2 | 13 | 0 | 0 | 0 | 113.8 | ||
| 126 | S | 47.4 | Very low | 54.7 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -109.6 | 67.5 | 176.3 | -65.8 | 0 | 0 | 0 | 0 | 110.9 | E124 S128 | E124-S126 VanDerWaalsContact C-N 3.28Å; E124-S126 PolarHBondContact O-N 3.41Å; S126-S128 PolarHBondContact O-N 2.81Å | ||
| 127 | E | 46.1 | Very low | 53.2 | Low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -66.3 | 80.9 | 164.1 | -75.6 | -165.2 | 131.2 | 0 | 0 | 110.6 | ||||
| 128 | S | 44.8 | Very low | 51.5 | Low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -156.6 | 66.7 | 154.3 | 58 | 0 | 0 | 0 | 0 | 110.6 | S126 | S126-S128 PolarHBondContact O-N 2.81Š| ||
| 129 | K | 39.6 | Very low | 50.3 | Low | 198 Ų | 198 | 151.1 Ų | 151.1 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -137.3 | 100 | 160.9 | -148.7 | 154.1 | -174.4 | 171.4 | 0 | 111.1 | ||||
| 130 | T | 39.2 | Very low | 48.7 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -27.5 | 131.5 | 162.4 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | S132 | T130-S132 PolarHBondContact O-N 2.75Å; T130-S132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | V | 45.6 | Very low | 47.8 | Very low | 136 Ų | 136 | 150 Ų | 150 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -33.5 | 110.4 | 162.8 | 177.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 132 | S | 40 | Very low | 47.5 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -118.7 | 105.3 | 153.9 | -91.6 | 0 | 0 | 0 | 0 | 107 | T130 | T130-S132 PolarHBondContact O-N 2.75Å; T130-S132 VanDerWaalsContact O-N 3.1Å | ||
| 133 | E | 51 | Low | 47.2 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -54.3 | 145.5 | 158.7 | -79.6 | -179.1 | 118.8 | 0 | 0 | 109.6 | ||||
| 134 | H | 46.9 | Very low | 47.4 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | trans | 85 | 82.2 | 172.6 | -149.5 | 70.4 | 0 | 0 | 0 | 116.8 | ||||
| 135 | G | 41.8 | Very low | 48 | Very low | 60 Ų | 60 | 139.9 Ų | 139.9 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | trans | -164.7 | 109.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | R137 | G135-R137 PolarHBondContact O-N 2.75Š| ||
| 136 | E | 48.3 | Very low | 48.5 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | trans | -44.9 | 107.2 | 159.3 | -74.1 | 171.5 | 132.1 | 0 | 0 | 106.9 | D138 | E136-D138 PolarHBondContact O-N 2.92Š| ||
| 137 | R | 53 | Low | 49.3 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -65.3 | 90.7 | 165.2 | -88.3 | -173.8 | -76.1 | -150.8 | -3.4 | 104.9 | G135 W139 | G135-R137 PolarHBondContact O-N 2.75Å; R137-W139 PolarHBondContact O-N 2.88Å | ||
| 138 | D | 46.2 | Very low | 49.8 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 40% | 0.396 | 70% | 0.699 | S | S | . | * | trans | -62.1 | 91.8 | 173.3 | -176.9 | 12.1 | 0 | 0 | 0 | 106.9 | E136 M140 T141 | E136-D138 PolarHBondContact O-N 2.92Å; D138-M140 PolarHBondContact O-N 2.77Å; D138-M140 WeakPolarHBondContact OD1-CB 3.41Å; D138-M140 PolarHBondContact OD1-N 3.34Å; D138-M140 VanDerWaalsContact OD1-N 3.11Å; D138-T141 HydrophobicContact CB-CG2 4.42Å; D138-T141 PolarHBondContact O-N 3.07Å; D138-T141 PolarHBondContact O-OG1 3.19Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.4Å | ||
| 139 | W | 54.8 | Low | 50.1 | Low | 206 Ų | 206 | 138.8 Ų | 138.8 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -16.9 | 175.3 | 67.3 | -88.4 | 0 | 0 | 0 | 111.4 | R137 | R137-W139 PolarHBondContact O-N 2.88Š|
| 140 | M | 43.7 | Very low | 50.6 | Low | 88 Ų | 88 | 135.7 Ų | 135.7 | 43% | 0.433 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -2.1 | 172.9 | -51.1 | -166.9 | -156.3 | 0 | 0 | 114.7 | D138 K143 | D138-M140 PolarHBondContact O-N 2.77Å; D138-M140 WeakPolarHBondContact OD1-CB 3.41Å; D138-M140 PolarHBondContact OD1-N 3.34Å; D138-M140 VanDerWaalsContact OD1-N 3.11Å; M140-K143 WeakPolarHBondContact O-CD 3.32Å; M140-K143 WeakPolarHBondContact O-CE 3.37Å; M140-K143 WeakPolarHBondContact O-CG 3.1Å; M140-K143 PolarHBondContact O-NZ 3.04Å |
| 141 | T | 46.9 | Very low | 51.3 | Low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -102.3 | -6.3 | 173.3 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | D138 K143 | D138-T141 HydrophobicContact CB-CG2 4.42Å; D138-T141 PolarHBondContact O-N 3.07Å; D138-T141 PolarHBondContact O-OG1 3.19Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.4Å; T141-K143 PolarHBondContact O-N 3.1Å |
| 142 | A | 52 | Low | 51.6 | Low | 45 Ų | 45 | 136.3 Ų | 136.3 | 37% | 0.372 | 67% | 0.674 | S | S | . | * | trans | -72.8 | 32.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112 | K144 F145 | A142-K144 PolarHBondContact O-N 3Å; A142-F145 HydrophobicContact CB-CD2 4.08Å; A142-F145 HydrophobicContact CB-CE2 3.22Å; A142-F145 HydrophobicContact CB-CZ 3.77Å; A142-F145 WeakPolarHBondContact O-CD2 3.49Å; A142-F145 WeakPolarHBondContact O-CE2 3.34Å | ||
| 143 | K | 51.7 | Low | 52.3 | Low | 155 Ų | 155 | 137.7 Ų | 137.7 | 67% | 0.674 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 34.7 | -160.9 | -113 | 177.8 | -163.8 | 154.9 | 0 | 114.6 | M140 T141 | M140-K143 WeakPolarHBondContact O-CD 3.32Å; M140-K143 WeakPolarHBondContact O-CE 3.37Å; M140-K143 WeakPolarHBondContact O-CG 3.1Å; M140-K143 PolarHBondContact O-NZ 3.04Å; T141-K143 PolarHBondContact O-N 3.1Å |
| 144 | K | 56.7 | Low | 52.4 | Low | 184 Ų | 184 | 134.7 Ų | 134.7 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 3.6 | 177.5 | -59.4 | -73.3 | -175.1 | 171.7 | 0 | 114.2 | A142 W146 | A142-K144 PolarHBondContact O-N 3Å; K144-W146 PolarHBondContact O-N 3.29Å |
| 145 | F | 61.5 | Low | 52.8 | Low | 65 Ų | 65 | 130.2 Ų | 130.2 | 29% | 0.285 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -70.6 | -8.1 | 180 | -57.4 | -53.5 | 0 | 0 | 0 | 114.7 | V117 G118 A142 | V117-F145 WeakPolarHBondContact CG2-O 3.3Å; V117-F145 PolarHBondContact N-O 2.77Å; G118-F145 VanDerWaalsContact O-CD1 3.27Å; G118-F145 WeakPolarHBondContact O-CD1 3.43Å; A142-F145 HydrophobicContact CB-CD2 4.08Å; A142-F145 HydrophobicContact CB-CE2 3.22Å; A142-F145 HydrophobicContact CB-CZ 3.77Å; A142-F145 WeakPolarHBondContact O-CD2 3.49Å; A142-F145 WeakPolarHBondContact O-CE2 3.34Å |
| 146 | W | 61.1 | Low | 53.7 | Low | 111 Ų | 111 | 135.6 Ų | 135.6 | 42% | 0.42 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.2 | -175.9 | -41.7 | 100.3 | 0 | 0 | 0 | 110.2 | L109 L114 Q115 W116 K144 | L109-W146 HydrophobicContact CD1-CE3 3.95Å; L109-W146 HydrophobicContact CD1-CH2 3.88Å; L109-W146 HydrophobicContact CD1-CZ3 3.2Å; L109-W146 HydrophobicContact CD2-CE3 4.15Å; L109-W146 HydrophobicContact CD2-CZ3 4Å; L109-W146 HydrophobicContact CG-CZ3 4.22Å; L114-W146 HydrophobicContact CD2-CB 4.41Å; Q115-W146 VanDerWaalsContact O-CA 3.32Å; Q115-W146 WeakPolarHBondContact O-CA 3.34Å; W116-W146 HydrophobicContact CB-CE3 4.2Å; W116-W146 HydrophobicContact CB-CH2 4.19Å; W116-W146 HydrophobicContact CB-CZ3 3.43Å; W116-W146 VanDerWaalsContact CB-CZ3 3.43Å; W116-W146 AromaticContact CD1-CH2 3.62Å; W116-W146 AromaticContact CD1-CZ3 3.62Å; W116-W146 HydrophobicContact CD2-CH2 4.29Å; W116-W146 HydrophobicContact CD2-CZ3 4.41Å; W116-W146 AromaticContact CG-CH2 3.8Å; W116-W146 HydrophobicContact CG-CH2 3.8Å; W116-W146 AromaticContact CG-CZ3 3.55Å; W116-W146 HydrophobicContact CG-CZ3 3.55Å; K144-W146 PolarHBondContact O-N 3.29Å |
| 147 | K | 63.8 | Low | 54.1 | Low | 127 Ų | 127 | 130.8 Ų | 130.8 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 144.5 | 167.3 | -67.8 | -172.3 | 179 | 178.6 | 0 | 109.6 | Q115 | Q115-K147 PolarHBondContact N-O 3.13Å |
| 148 | P | 58 | Low | 54.2 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 100% | 1.078 | 59% | 0.587 | S | S | * | * | trans | -66.6 | 0 | 170.1 | -11.1 | 26.2 | 0 | 0 | 0 | 112.9 | G113 | G113-P148 CarbonylContact O-C 3.53Š|
Retrieved 148 of 148 residues in 24.6 ms
(Link to these results)