| 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 | 49.9 | Very low | 59.2 | Low | 236 Ų | 236 | 142.7 Ų | 142.7 | 100% | 1.163 | 83% | 0.829 | S | S | * | * | 0 | 96.7 | 0 | -71.9 | -175.3 | -175.7 | 0 | 0 | 106.1 | |||||
| 2 | E | 47.3 | Very low | 59.5 | Low | 197 Ų | 197 | 139 Ų | 139 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -123.9 | 93.7 | 177.1 | -60.6 | -115.9 | 106.6 | 0 | 0 | 105.7 | ||||
| 3 | T | 56.4 | Low | 59.8 | Low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127 | 172.4 | 32.5 | 0 | 0 | 0 | 0 | 108.6 | T5 | T3-T5 PolarHBondContact O-N 3.44Š|
| 4 | P | 51.7 | Low | 59.8 | Low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 131.3 | 179.3 | 6.3 | 5.4 | 0 | 0 | 0 | 110.3 | ||
| 5 | T | 68.6 | Low | 59.7 | Low | 128 Ų | 128 | 134.5 Ų | 134.5 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.7 | 175.9 | -44.6 | 0 | 0 | 0 | 0 | 111.1 | T3 | T3-T5 PolarHBondContact O-N 3.44Š|
| 6 | P | 60.5 | Low | 59.5 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.3 | 177.9 | 12.6 | -2.6 | 0 | 0 | 0 | 110.7 | ||
| 7 | L | 60.3 | Low | 59.9 | Low | 162 Ų | 162 | 133.1 Ų | 133.1 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145.5 | 174 | -69.6 | 168.4 | 0 | 0 | 0 | 110.7 | ||
| 8 | P | 67.8 | Low | 60.3 | Low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 153.3 | 176.1 | 27.6 | -33.7 | 0 | 0 | 0 | 111.5 | V10 | P8-V10 PolarHBondContact O-N 3.21Š|
| 9 | P | 62.8 | Low | 60.9 | Low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125.3 | 177.5 | 26.4 | -32.1 | 0 | 0 | 0 | 110.1 | ||
| 10 | V | 65.8 | Low | 61.6 | Low | 130 Ų | 130 | 128.5 Ų | 128.5 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 131.9 | 173 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | P8 A12 | P8-V10 PolarHBondContact O-N 3.21Å; V10-A12 PolarHBondContact O-N 3.34Å |
| 11 | P | 59.9 | Low | 62.5 | Low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.5 | 176.1 | 24 | -31.1 | 0 | 0 | 0 | 109.3 | S13 | P11-S13 PolarHBondContact O-N 3.43Å; P11-S13 VanDerWaalsContact O-N 3.15Å |
| 12 | A | 62.3 | Low | 64.3 | Low | 98 Ų | 98 | 128.5 Ų | 128.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 120.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V10 | V10-A12 PolarHBondContact O-N 3.34Š|
| 13 | S | 63.5 | Low | 66.3 | Low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139 | 172.9 | -43.7 | 0 | 0 | 0 | 0 | 109 | P11 T15 | P11-S13 PolarHBondContact O-N 3.43Å; P11-S13 VanDerWaalsContact O-N 3.15Å; S13-T15 PolarHBondContact O-N 3.25Å |
| 14 | P | 59.8 | Low | 67.8 | Low | 127 Ų | 127 | 127.9 Ų | 127.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -69.6 | 99.9 | 172.7 | 28 | -30.8 | 0 | 0 | 0 | 108 | C16 | P14-C16 PolarHBondContact O-N 3.22Š| ||
| 15 | T | 59.3 | Low | 69.7 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 86.7 | 164.4 | 24.8 | 0 | 0 | 0 | 0 | 108.2 | S13 N17 | S13-T15 PolarHBondContact O-N 3.25Å; T15-N17 PolarHBondContact O-N 3.43Å | ||
| 16 | C | 55.7 | Low | 70.8 | Confident | 109 Ų | 109 | 129.1 Ų | 129.1 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -75.9 | 83.9 | 162.7 | -172.3 | 0 | 0 | 0 | 0 | 107.3 | P14 P18 | P14-C16 PolarHBondContact O-N 3.22Å; C16-P18 WeakPolarHBondContact O-CD 3.19Å | ||
| 17 | N | 66.5 | Low | 72.4 | Confident | 136 Ų | 136 | 130.7 Ų | 130.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -91.7 | 101 | 160.6 | -76.9 | -9.9 | 0 | 0 | 0 | 106.4 | T15 A19 | T15-N17 PolarHBondContact O-N 3.43Å; N17-A19 VanDerWaalsContact C-N 3.31Å; N17-A19 PolarHBondContact O-N 3.05Å | ||
| 18 | P | 67.9 | Low | 73.9 | Confident | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -68.5 | 97.5 | 170.6 | 28.4 | -31.2 | 0 | 0 | 0 | 107 | C16 | C16-P18 WeakPolarHBondContact O-CD 3.19Š| ||
| 19 | A | 71.2 | Confident | 75.3 | Confident | 79 Ų | 79 | 128.7 Ų | 128.7 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | trans | -51.8 | 134.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | N17 R21 | N17-A19 VanDerWaalsContact C-N 3.31Å; N17-A19 PolarHBondContact O-N 3.05Å; A19-R21 PolarHBondContact O-N 2.96Å; A19-R21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | P | 75.8 | Confident | 76.8 | Confident | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -55.3 | 124.6 | -179.7 | 20.6 | -30.4 | 0 | 0 | 0 | 109 | T22 | P20-T22 PolarHBondContact O-N 3.29Š| ||
| 21 | R | 80.3 | Confident | 78.2 | Confident | 245 Ų | 245 | 126 Ų | 126 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | trans | -70.5 | 103 | 176.3 | -72.3 | -178.4 | 170.7 | 155 | -2 | 108.1 | A19 | A19-R21 PolarHBondContact O-N 2.96Å; A19-R21 VanDerWaalsContact O-N 3.11Å | ||
| 22 | T | 86.8 | Confident | 80 | Confident | 119 Ų | 119 | 123.7 Ų | 123.7 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124.5 | 171 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | P20 | P20-T22 PolarHBondContact O-N 3.29Š|
| 23 | I | 89.4 | Confident | 81.7 | Confident | 143 Ų | 143 | 122 Ų | 122 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 122.1 | 170.3 | -58 | 174.8 | 0 | 0 | 0 | 107.1 | I25 | I23-I25 HydrophobicContact CG2-CG1 4.11Š|
| 24 | Q | 88.6 | Confident | 83.3 | Confident | 170 Ų | 170 | 121 Ų | 121 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -92 | 127.9 | 171.4 | -66.5 | -164.3 | -42.4 | 0 | 0 | 109.5 | ||
| 25 | I | 92 | Very high | 85.1 | Confident | 123 Ų | 123 | 119.8 Ų | 119.8 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | trans | -119.4 | 126.5 | 177.1 | -56.2 | 176 | 0 | 0 | 0 | 107 | I23 F27 | I23-I25 HydrophobicContact CG2-CG1 4.11Å; I25-F27 HydrophobicContact CG2-CD2 4.38Å; I25-F27 HydrophobicContact CG2-CE1 4.27Å; I25-F27 HydrophobicContact CG2-CE2 3.64Å; I25-F27 HydrophobicContact CG2-CZ 3.58Å | ||
| 26 | E | 91.6 | Very high | 87 | Confident | 159 Ų | 159 | 120.1 Ų | 120.1 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -114.9 | 143.2 | 177.6 | -65.1 | -173.8 | 170.6 | 0 | 0 | 110.5 | ||||
| 27 | F | 93.6 | Very high | 89 | Confident | 149 Ų | 149 | 116.6 Ų | 116.6 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | trans | -122.9 | 90.8 | 175.2 | -62.2 | -79.1 | 0 | 0 | 0 | 107.9 | I25 Q29 H30 | I25-F27 HydrophobicContact CG2-CD2 4.38Å; I25-F27 HydrophobicContact CG2-CE1 4.27Å; I25-F27 HydrophobicContact CG2-CE2 3.64Å; I25-F27 HydrophobicContact CG2-CZ 3.58Å; F27-Q29 PolarHBondContact O-N 3.19Å; F27-H30 HydrophobicContact CB-CB 3.85Å; F27-H30 VanDerWaalsContact O-CB 3.29Å; F27-H30 WeakPolarHBondContact O-CB 3.35Å; F27-H30 PolarHBondContact O-N 2.95Å | ||
| 28 | P | 92.1 | Very high | 90.5 | Very high | 103 Ų | 103 | 112.5 Ų | 112.5 | 67% | 0.669 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -27.7 | -167.2 | -24.6 | 32.8 | 0 | 0 | 0 | 114.3 | ||
| 29 | Q | 95.9 | Very high | 91.9 | Very high | 124 Ų | 124 | 110.6 Ų | 110.6 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 4.1 | -178.9 | -66.7 | 78.1 | 7.5 | 0 | 0 | 113.9 | F27 S31 S32 S33 | F27-Q29 PolarHBondContact O-N 3.19Å; Q29-S31 PolarHBondContact O-N 2.85Å; Q29-S32 WeakPolarHBondContact CA-OG 3.35Å; Q29-S32 PolarHBondContact O-N 3.33Å; Q29-S32 PolarHBondContact O-OG 3.14Å; Q29-S33 PolarHBondContact O-N 2.82Å; Q29-S33 PolarHBondContact O-OG 2.97Å |
| 30 | H | 95.4 | Very high | 93.2 | Very high | 120 Ų | 120 | 112.2 Ų | 112.2 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.4 | -45.8 | -173.7 | 179.8 | 64.3 | 0 | 0 | 0 | 112.5 | F27 S32 S33 L34 | F27-H30 HydrophobicContact CB-CB 3.85Å; F27-H30 VanDerWaalsContact O-CB 3.29Å; F27-H30 WeakPolarHBondContact O-CB 3.35Å; F27-H30 PolarHBondContact O-N 2.95Å; H30-S32 PolarHBondContact O-N 2.99Å; H30-S33 PolarHBondContact O-N 3.36Å; H30-L34 VanDerWaalsContact O-CB 3.23Å; H30-L34 WeakPolarHBondContact O-CB 3.41Å; H30-L34 PolarHBondContact O-N 3.49Å |
| 31 | S | 95.4 | Very high | 94.3 | Very high | 78 Ų | 78 | 108.8 Ų | 108.8 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 179.6 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | Q29 L34 L35 | Q29-S31 PolarHBondContact O-N 2.85Å; S31-L34 PolarHBondContact O-N 3.09Å; S31-L35 WeakPolarHBondContact O-CG 3.33Å; S31-L35 PolarHBondContact O-N 3.24Å |
| 32 | S | 97.1 | Very high | 95.2 | Very high | 64 Ų | 64 | 101.7 Ų | 101.7 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 177.7 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | Q29 H30 L34 L35 E36 | Q29-S32 WeakPolarHBondContact CA-OG 3.35Å; Q29-S32 PolarHBondContact O-N 3.33Å; Q29-S32 PolarHBondContact O-OG 3.14Å; H30-S32 PolarHBondContact O-N 2.99Å; S32-L34 VanDerWaalsContact C-N 3.32Å; S32-L34 PolarHBondContact O-N 3.34Å; S32-L35 PolarHBondContact O-N 2.77Å; S32-E36 WeakPolarHBondContact O-CB 3.31Å; S32-E36 PolarHBondContact O-N 3.16Å |
| 33 | S | 97.7 | Very high | 95.7 | Very high | 64 Ų | 64 | 101.9 Ų | 101.9 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 179.4 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | Q29 H30 S37 | Q29-S33 PolarHBondContact O-N 2.82Å; Q29-S33 PolarHBondContact O-OG 2.97Å; H30-S33 PolarHBondContact O-N 3.36Å; S33-S37 WeakPolarHBondContact O-CB 3.19Å; S33-S37 PolarHBondContact O-N 2.93Å |
| 34 | L | 97.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -50.2 | 174.4 | -176 | 159.5 | 0 | 0 | 0 | 110.8 | H30 S31 S32 E36 S37 L38 | H30-L34 VanDerWaalsContact O-CB 3.23Å; H30-L34 WeakPolarHBondContact O-CB 3.41Å; H30-L34 PolarHBondContact O-N 3.49Å; S31-L34 PolarHBondContact O-N 3.09Å; S32-L34 VanDerWaalsContact C-N 3.32Å; S32-L34 PolarHBondContact O-N 3.34Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 2.87Å; L34-S37 WeakPolarHBondContact O-CB 3.45Å; L34-S37 PolarHBondContact O-N 3.37Å; L34-L38 HydrophobicContact CD2-CD1 3.45Å; L34-L38 VanDerWaalsContact CD2-CD1 3.45Å; L34-L38 HydrophobicContact CD2-CG 4.05Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.39Å |
| 35 | L | 97.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 92.5 Ų | 92.5 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 179.7 | -70.2 | 175 | 0 | 0 | 0 | 112.3 | S31 S32 L38 N39 | S31-L35 WeakPolarHBondContact O-CG 3.33Å; S31-L35 PolarHBondContact O-N 3.24Å; S32-L35 PolarHBondContact O-N 2.77Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-N39 WeakPolarHBondContact O-CB 3.33Å; L35-N39 PolarHBondContact O-N 3.31Å |
| 36 | E | 98.4 | Very high | 96.8 | Very high | 130 Ų | 130 | 91.6 Ų | 91.6 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 173.5 | -176.9 | 176.9 | -146.3 | 0 | 0 | 111.5 | S32 L34 N39 R40 | S32-E36 WeakPolarHBondContact O-CB 3.31Å; S32-E36 PolarHBondContact O-N 3.16Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-E36 PolarHBondContact O-N 2.87Å; E36-N39 PolarHBondContact O-N 2.65Å; E36-R40 PolarHBondContact O-N 2.82Å |
| 37 | S | 98.3 | Very high | 97 | Very high | 35 Ų | 35 | 91.2 Ų | 91.2 | 25% | 0.245 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.5 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | S33 L34 N39 R40 H41 | S33-S37 WeakPolarHBondContact O-CB 3.19Å; S33-S37 PolarHBondContact O-N 2.93Å; L34-S37 WeakPolarHBondContact O-CB 3.45Å; L34-S37 PolarHBondContact O-N 3.37Å; S37-N39 VanDerWaalsContact C-N 3.33Å; S37-N39 PolarHBondContact O-N 2.93Å; S37-R40 PolarHBondContact O-N 3.45Å; S37-R40 PolarHBondContact OG-NH2 3.09Å; S37-R40 VanDerWaalsContact OG-NH2 3.16Å; S37-H41 PolarHBondContact O-N 3.38Å |
| 38 | L | 98.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 85 Ų | 85 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 176.7 | -69.4 | -179.8 | 0 | 0 | 0 | 112.2 | L34 L35 H41 R42 H62 V65 | L34-L38 HydrophobicContact CD2-CD1 3.45Å; L34-L38 VanDerWaalsContact CD2-CD1 3.45Å; L34-L38 HydrophobicContact CD2-CG 4.05Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.39Å; L35-L38 PolarHBondContact O-N 3.27Å; L38-H41 PolarHBondContact O-N 3.3Å; L38-R42 PolarHBondContact O-N 3.3Å; L38-H62 PolarHBondContact O-CE1 3.07Å; L38-V65 HydrophobicContact CD1-CG2 3.68Å |
| 39 | N | 98.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 84.4 Ų | 84.4 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.7 | -174.1 | 50 | 0 | 0 | 0 | 111.8 | L35 E36 S37 R42 L43 | L35-N39 WeakPolarHBondContact O-CB 3.33Å; L35-N39 PolarHBondContact O-N 3.31Å; E36-N39 PolarHBondContact O-N 2.65Å; S37-N39 VanDerWaalsContact C-N 3.33Å; S37-N39 PolarHBondContact O-N 2.93Å; N39-R42 WeakPolarHBondContact O-CB 3.42Å; N39-R42 PolarHBondContact O-N 2.95Å; N39-R42 PolarHBondContact OD1-NE 2.91Å; N39-R42 PolarHBondContact OD1-NH2 3.45Å; N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 2.73Å |
| 40 | R | 98.6 | Very high | 97.5 | Very high | 113 Ų | 113 | 79.5 Ų | 79.5 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.2 | -178.5 | 174.3 | 58.4 | -105.8 | -5.9 | 111.5 | E36 S37 R42 L43 E44 | E36-R40 PolarHBondContact O-N 2.82Å; S37-R40 PolarHBondContact O-N 3.45Å; S37-R40 PolarHBondContact OG-NH2 3.09Å; S37-R40 VanDerWaalsContact OG-NH2 3.16Å; R40-R42 VanDerWaalsContact C-N 3.26Å; R40-R42 PolarHBondContact O-N 3.39Å; R40-L43 PolarHBondContact O-N 3.07Å; R40-E44 VanDerWaalsContact CG-OE1 3.3Å; R40-E44 WeakPolarHBondContact CG-OE1 3.4Å; R40-E44 WeakPolarHBondContact O-CG 3.43Å; R40-E44 PolarHBondContact O-N 3.32Å |
| 41 | H | 98.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 76.6 Ų | 76.6 | 20% | 0.199 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.3 | -40 | 174.8 | -67.9 | 170.8 | 0 | 0 | 0 | 112.1 | S37 L38 E44 G45 K46 F47 | S37-H41 PolarHBondContact O-N 3.38Å; L38-H41 PolarHBondContact O-N 3.3Å; H41-E44 CarbonylContact O-C 3.54Å; H41-E44 PolarHBondContact O-N 2.95Å; H41-G45 PolarHBondContact O-N 3.26Å; H41-K46 HydrophobicContact CB-CB 4.23Å; H41-K46 PolarHBondContact O-N 3.47Å; H41-F47 HydrophobicContact CB-CD2 4.27Å; H41-F47 AromaticContact CE1-CE2 3.79Å; H41-F47 AromaticContact CG-CD2 3.95Å; H41-F47 AromaticContact ND1-CD2 3.59Å; H41-F47 AromaticContact ND1-CE2 3.76Å |
| 42 | R | 98.3 | Very high | 97.5 | Very high | 97 Ų | 97 | 74.9 Ų | 74.9 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.8 | -174.8 | -175.4 | 63.2 | 80.2 | 0.4 | 111.8 | L38 N39 R40 E44 G45 R60 | L38-R42 PolarHBondContact O-N 3.3Å; N39-R42 WeakPolarHBondContact O-CB 3.42Å; N39-R42 PolarHBondContact O-N 2.95Å; N39-R42 PolarHBondContact OD1-NE 2.91Å; N39-R42 PolarHBondContact OD1-NH2 3.45Å; R40-R42 VanDerWaalsContact C-N 3.26Å; R40-R42 PolarHBondContact O-N 3.39Å; R42-E44 VanDerWaalsContact C-N 3.32Å; R42-E44 PolarHBondContact O-N 3.33Å; R42-G45 PolarHBondContact O-N 3.32Å; R42-G45 VanDerWaalsContact O-N 3.12Å; R42-R60 WeakPolarHBondContact CG-O 3.5Å |
| 43 | L | 97.9 | Very high | 97.5 | Very high | 123 Ų | 123 | 78.1 Ų | 78.1 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.2 | -35 | 178.6 | -67.5 | 173.5 | 0 | 0 | 0 | 112.3 | N39 R40 G45 | N39-L43 WeakPolarHBondContact O-CG 3.48Å; N39-L43 PolarHBondContact O-N 2.73Å; R40-L43 PolarHBondContact O-N 3.07Å; L43-G45 VanDerWaalsContact C-N 3.27Å; L43-G45 PolarHBondContact O-N 3.22Å |
| 44 | E | 97.9 | Very high | 97.4 | Very high | 97 Ų | 97 | 78.5 Ų | 78.5 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.5 | 174.6 | -66.5 | 174.1 | -168.5 | 0 | 0 | 113.3 | R40 H41 R42 K46 | R40-E44 VanDerWaalsContact CG-OE1 3.3Å; R40-E44 WeakPolarHBondContact CG-OE1 3.4Å; R40-E44 WeakPolarHBondContact O-CG 3.43Å; R40-E44 PolarHBondContact O-N 3.32Å; H41-E44 CarbonylContact O-C 3.54Å; H41-E44 PolarHBondContact O-N 2.95Å; R42-E44 VanDerWaalsContact C-N 3.32Å; R42-E44 PolarHBondContact O-N 3.33Å; E44-K46 VanDerWaalsContact C-N 3.26Å; E44-K46 HydrophobicContact CB-CD 4.26Å; E44-K46 HydrophobicContact CB-CG 4.1Å; E44-K46 PolarHBondContact O-N 2.83Å; E44-K46 VanDerWaalsContact OE2-CD 3.3Å; E44-K46 WeakPolarHBondContact OE2-CD 3.35Å; E44-K46 WeakPolarHBondContact OE2-CE 3.25Å; E44-K46 IonicContact OE2-NZ 2.68Å; E44-K46 PolarHBondContact OE2-NZ 2.98Å |
| 45 | G | 96.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 84.2 Ų | 84.2 | 19% | 0.186 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 18.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H41 R42 L43 R60 | H41-G45 PolarHBondContact O-N 3.26Å; R42-G45 PolarHBondContact O-N 3.32Å; R42-G45 VanDerWaalsContact O-N 3.12Å; L43-G45 VanDerWaalsContact C-N 3.27Å; L43-G45 PolarHBondContact O-N 3.22Å; G45-R60 PolarHBondContact O-NH1 2.91Å; G45-R60 PolarHBondContact O-NH2 3.24Å |
| 46 | K | 97.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 82.6 Ų | 82.6 | 45% | 0.452 | 43% | 0.429 | S | S | . | . | trans | -86.9 | 136.6 | -179.5 | -68.9 | -179.5 | -177.4 | 161.3 | 0 | 111.4 | H41 E44 C48 H62 | H41-K46 HydrophobicContact CB-CB 4.23Å; H41-K46 PolarHBondContact O-N 3.47Å; E44-K46 VanDerWaalsContact C-N 3.26Å; E44-K46 HydrophobicContact CB-CD 4.26Å; E44-K46 HydrophobicContact CB-CG 4.1Å; E44-K46 PolarHBondContact O-N 2.83Å; E44-K46 VanDerWaalsContact OE2-CD 3.3Å; E44-K46 WeakPolarHBondContact OE2-CD 3.35Å; E44-K46 WeakPolarHBondContact OE2-CE 3.25Å; E44-K46 IonicContact OE2-NZ 2.68Å; E44-K46 PolarHBondContact OE2-NZ 2.98Å; K46-C48 PolarHBondContact O-N 3.32Å; K46-H62 PolarHBondContact O-NE2 2.89Å; K46-H62 VanDerWaalsContact O-NE2 3.09Å | ||
| 47 | F | 97.3 | Very high | 97.1 | Very high | 152 Ų | 152 | 84.9 Ų | 84.9 | 67% | 0.667 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 59.6 | 5.5 | 178.2 | -43.6 | -68.8 | 0 | 0 | 0 | 114.8 | H41 D49 H62 | H41-F47 HydrophobicContact CB-CD2 4.27Å; H41-F47 AromaticContact CE1-CE2 3.79Å; H41-F47 AromaticContact CG-CD2 3.95Å; H41-F47 AromaticContact ND1-CD2 3.59Å; H41-F47 AromaticContact ND1-CE2 3.76Å; F47-D49 PolarHBondContact O-N 3.31Å; F47-H62 PolarHBondContact O-CD2 2.82Å; F47-H62 VanDerWaalsContact O-CD2 3.3Å |
| 48 | C | 97.6 | Very high | 97 | Very high | 19 Ų | 19 | 89.2 Ų | 89.2 | 13% | 0.128 | 45% | 0.449 | C | S | . | . | trans | -68.1 | 120.9 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | K46 R60 A61 | K46-C48 PolarHBondContact O-N 3.32Å; C48-R60 HydrophobicContact CB-CB 4Å; C48-A61 VanDerWaalsContact CA-O 3.25Å; C48-A61 WeakPolarHBondContact CA-O 3.39Å; C48-A61 WeakPolarHBondContact CB-O 3.42Å | ||
| 49 | D | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 90.7 Ų | 90.7 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | trans | -111.3 | 3.1 | -176.1 | 60 | -11.7 | 0 | 0 | 0 | 112.4 | F47 A61 H62 K63 | F47-D49 PolarHBondContact O-N 3.31Å; D49-A61 PolarHBondContact N-O 3.21Å; D49-H62 WeakPolarHBondContact OD1-CA 3.39Å; D49-K63 WeakPolarHBondContact O-CE 3.14Å; D49-K63 WeakPolarHBondContact OD1-CG 3.36Å; D49-K63 PolarHBondContact OD1-N 3.11Å | ||
| 50 | V | 95.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 93 Ų | 93 | 13% | 0.127 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145.2 | 173.7 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | L52 R60 A61 K63 L66 L77 | V50-L52 HydrophobicContact CG2-CD2 4.01Å; V50-R60 WeakPolarHBondContact O-CA 3.18Å; V50-A61 HydrophobicContact CG1-CB 4.11Å; V50-A61 WeakPolarHBondContact CG1-O 3.45Å; V50-A61 PolarHBondContact N-O 3.15Å; V50-A61 PolarHBondContact O-N 2.96Å; V50-K63 HydrophobicContact CB-CG 3.73Å; V50-K63 HydrophobicContact CG1-CG 3.74Å; V50-L66 HydrophobicContact CG1-CD1 4.03Å; V50-L77 HydrophobicContact CG2-CD2 4.17Å |
| 51 | S | 96.6 | Very high | 96.8 | Very high | 58 Ų | 58 | 88.1 Ų | 88.1 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.9 | 170 | -74.3 | 0 | 0 | 0 | 0 | 109.5 | E58 L59 | S51-E58 WeakPolarHBondContact CB-OE1 3.39Å; S51-E58 PolarHBondContact OG-OE1 2.96Å; S51-L59 CarbonylContact C-O 3.58Å; S51-L59 WeakPolarHBondContact CA-O 3.44Å |
| 52 | L | 95.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 87 Ų | 87 | 22% | 0.22 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.3 | 177.7 | -56 | 177 | 0 | 0 | 0 | 109.5 | V50 V54 E58 L59 L66 F73 | V50-L52 HydrophobicContact CG2-CD2 4.01Å; L52-V54 HydrophobicContact CB-CG2 4.39Å; L52-E58 WeakPolarHBondContact O-CA 3.35Å; L52-L59 HydrophobicContact CB-CB 4.4Å; L52-L59 PolarHBondContact N-O 3.38Å; L52-L59 PolarHBondContact O-N 3.17Å; L52-L66 HydrophobicContact CD1-CD1 4Å; L52-F73 HydrophobicContact CD1-CE1 3.97Å; L52-F73 HydrophobicContact CD1-CZ 3.85Å; L52-F73 HydrophobicContact CD2-CE1 4.09Å |
| 53 | L | 96.8 | Very high | 96.7 | Very high | 132 Ų | 132 | 85.9 Ų | 85.9 | 69% | 0.691 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110.8 | 173.3 | -174 | 67.4 | 0 | 0 | 0 | 109.5 | R57 | L53-R57 WeakPolarHBondContact CA-O 3.2Å |
| 54 | V | 95.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 83.4 Ų | 83.4 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 116.7 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | L52 G56 R57 L59 | L52-V54 HydrophobicContact CB-CG2 4.39Å; V54-G56 PolarHBondContact O-N 3.5Å; V54-R57 PolarHBondContact N-O 3.49Å; V54-R57 WeakPolarHBondContact O-CB 3.33Å; V54-R57 PolarHBondContact O-N 3.02Å; V54-L59 HydrophobicContact CG2-CD1 4.37Å |
| 55 | Q | 95.6 | Very high | 96.7 | Very high | 197 Ų | 197 | 81.3 Ų | 81.3 | 92% | 0.921 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.7 | 179.5 | -61 | -179.7 | -28.9 | 0 | 0 | 113.1 | R57 | Q55-R57 VanDerWaalsContact C-N 3.27Å; Q55-R57 PolarHBondContact O-N 3.12Å |
| 56 | G | 95.2 | Very high | 96.7 | Very high | 69 Ų | 69 | 82.1 Ų | 82.1 | 71% | 0.711 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 4.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V54 | V54-G56 PolarHBondContact O-N 3.5Š|
| 57 | R | 96.6 | Very high | 96.7 | Very high | 178 Ų | 178 | 77.5 Ų | 77.5 | 67% | 0.672 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 133 | 174.5 | -61.5 | 176.5 | 66 | -166.1 | 1.1 | 110.4 | L53 V54 Q55 | L53-R57 WeakPolarHBondContact CA-O 3.2Å; V54-R57 PolarHBondContact N-O 3.49Å; V54-R57 WeakPolarHBondContact O-CB 3.33Å; V54-R57 PolarHBondContact O-N 3.02Å; Q55-R57 VanDerWaalsContact C-N 3.27Å; Q55-R57 PolarHBondContact O-N 3.12Å |
| 58 | E | 96.6 | Very high | 96.6 | Very high | 127 Ų | 127 | 74.7 Ų | 74.7 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.6 | 175.1 | -166.9 | -178.3 | 142.1 | 0 | 0 | 110.9 | S51 L52 | S51-E58 WeakPolarHBondContact CB-OE1 3.39Å; S51-E58 PolarHBondContact OG-OE1 2.96Å; L52-E58 WeakPolarHBondContact O-CA 3.35Å |
| 59 | L | 96.1 | Very high | 96.5 | Very high | 81 Ų | 81 | 77.9 Ų | 77.9 | 42% | 0.424 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109.9 | 178.1 | -56.2 | 176.8 | 0 | 0 | 0 | 109.7 | S51 L52 V54 | S51-L59 CarbonylContact C-O 3.58Å; S51-L59 WeakPolarHBondContact CA-O 3.44Å; L52-L59 HydrophobicContact CB-CB 4.4Å; L52-L59 PolarHBondContact N-O 3.38Å; L52-L59 PolarHBondContact O-N 3.17Å; V54-L59 HydrophobicContact CG2-CD1 4.37Å |
| 60 | R | 97.6 | Very high | 96.5 | Very high | 120 Ų | 120 | 75.2 Ų | 75.2 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 137.5 | 175.1 | -57.7 | -174.2 | 69.8 | -163.9 | -4 | 110.4 | R42 G45 C48 V50 | R42-R60 WeakPolarHBondContact CG-O 3.5Å; G45-R60 PolarHBondContact O-NH1 2.91Å; G45-R60 PolarHBondContact O-NH2 3.24Å; C48-R60 HydrophobicContact CB-CB 4Å; V50-R60 WeakPolarHBondContact O-CA 3.18Å |
| 61 | A | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 79.2 Ų | 79.2 | 9% | 0.091 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C48 D49 V50 L66 | C48-A61 VanDerWaalsContact CA-O 3.25Å; C48-A61 WeakPolarHBondContact CA-O 3.39Å; C48-A61 WeakPolarHBondContact CB-O 3.42Å; D49-A61 PolarHBondContact N-O 3.21Å; V50-A61 HydrophobicContact CG1-CB 4.11Å; V50-A61 WeakPolarHBondContact CG1-O 3.45Å; V50-A61 PolarHBondContact N-O 3.15Å; V50-A61 PolarHBondContact O-N 2.96Å; A61-L66 HydrophobicContact CB-CD1 3.88Å; A61-L66 HydrophobicContact CB-CG 4.21Å |
| 62 | H | 97.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 83.6 Ų | 83.6 | 9% | 0.093 | 47% | 0.465 | C | S | . | . | trans | -104.3 | 122.9 | 174.5 | -49.9 | 96.2 | 0 | 0 | 0 | 109.8 | L38 K46 F47 D49 A64 V65 L66 | L38-H62 PolarHBondContact O-CE1 3.07Å; K46-H62 PolarHBondContact O-NE2 2.89Å; K46-H62 VanDerWaalsContact O-NE2 3.09Å; F47-H62 PolarHBondContact O-CD2 2.82Å; F47-H62 VanDerWaalsContact O-CD2 3.3Å; D49-H62 WeakPolarHBondContact OD1-CA 3.39Å; H62-A64 VanDerWaalsContact C-N 3.3Å; H62-A64 PolarHBondContact O-N 3.36Å; H62-V65 HydrophobicContact CB-CB 4.16Å; H62-V65 HydrophobicContact CB-CG2 3.82Å; H62-V65 PolarHBondContact O-N 2.92Å; H62-V65 VanDerWaalsContact O-N 3.16Å; H62-L66 PolarHBondContact O-N 2.92Å; H62-L66 VanDerWaalsContact O-N 3.09Å | ||
| 63 | K | 96.8 | Very high | 96.4 | Very high | 72 Ų | 72 | 84.1 Ų | 84.1 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 179.8 | -71.3 | 178.4 | 178.4 | -175.9 | 0 | 112 | D49 V50 V65 L66 A67 L77 | D49-K63 WeakPolarHBondContact O-CE 3.14Å; D49-K63 WeakPolarHBondContact OD1-CG 3.36Å; D49-K63 PolarHBondContact OD1-N 3.11Å; V50-K63 HydrophobicContact CB-CG 3.73Å; V50-K63 HydrophobicContact CG1-CG 3.74Å; K63-V65 VanDerWaalsContact C-N 3.31Å; K63-V65 PolarHBondContact O-N 3.06Å; K63-L66 PolarHBondContact O-N 3.42Å; K63-A67 VanDerWaalsContact O-CB 3.31Å; K63-A67 WeakPolarHBondContact O-CB 3.21Å; K63-A67 PolarHBondContact O-N 3.5Å; K63-L77 HydrophobicContact CB-CB 4.37Å; K63-L77 HydrophobicContact CB-CD1 4.34Å; K63-L77 HydrophobicContact CD-CB 4.46Å; K63-L77 HydrophobicContact CG-CB 4.25Å; K63-L77 HydrophobicContact CG-CD1 4.18Å |
| 64 | A | 96.7 | Very high | 96.3 | Very high | 72 Ų | 72 | 82.3 Ų | 82.3 | 60% | 0.595 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.3 | -40.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H62 A68 | H62-A64 VanDerWaalsContact C-N 3.3Å; H62-A64 PolarHBondContact O-N 3.36Å; A64-A68 WeakPolarHBondContact O-CB 3.3Å; A64-A68 PolarHBondContact O-N 3.34Å |
| 65 | V | 97.2 | Very high | 96.2 | Very high | 52 Ų | 52 | 83.4 Ų | 83.4 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.5 | -44.5 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | L38 H62 K63 A67 A68 A69 | L38-V65 HydrophobicContact CD1-CG2 3.68Å; H62-V65 HydrophobicContact CB-CB 4.16Å; H62-V65 HydrophobicContact CB-CG2 3.82Å; H62-V65 PolarHBondContact O-N 2.92Å; H62-V65 VanDerWaalsContact O-N 3.16Å; K63-V65 VanDerWaalsContact C-N 3.31Å; K63-V65 PolarHBondContact O-N 3.06Å; V65-A67 VanDerWaalsContact C-N 3.35Å; V65-A67 PolarHBondContact O-N 3Å; V65-A68 PolarHBondContact O-N 3.45Å; V65-A69 WeakPolarHBondContact O-CB 3.23Å; V65-A69 PolarHBondContact O-N 2.94Å; V65-A69 VanDerWaalsContact O-N 3.07Å |
| 66 | L | 97.4 | Very high | 96 | Very high | 35 Ų | 35 | 80.6 Ų | 80.6 | 18% | 0.183 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.3 | -69.1 | 179.4 | 0 | 0 | 0 | 111.7 | V50 L52 A61 H62 K63 A69 S70 F73 L77 | V50-L66 HydrophobicContact CG1-CD1 4.03Å; L52-L66 HydrophobicContact CD1-CD1 4Å; A61-L66 HydrophobicContact CB-CD1 3.88Å; A61-L66 HydrophobicContact CB-CG 4.21Å; H62-L66 PolarHBondContact O-N 2.92Å; H62-L66 VanDerWaalsContact O-N 3.09Å; K63-L66 PolarHBondContact O-N 3.42Å; L66-A69 PolarHBondContact O-N 3.3Å; L66-S70 PolarHBondContact O-N 2.98Å; L66-F73 HydrophobicContact CB-CB 3.82Å; L66-F73 HydrophobicContact CB-CD2 4.19Å; L66-F73 HydrophobicContact CB-CG 3.96Å; L66-F73 HydrophobicContact CD1-CD1 4.35Å; L66-F73 HydrophobicContact CD1-CG 4.46Å; L66-F73 HydrophobicContact CD2-CD2 4.29Å; L66-F73 HydrophobicContact CD2-CE2 4.38Å; L66-L77 HydrophobicContact CB-CD1 3.96Å; L66-L77 HydrophobicContact CD1-CD1 3.85Å |
| 67 | A | 97 | Very high | 95.5 | Very high | 8 Ų | 8 | 78.8 Ų | 78.8 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K63 V65 A69 H74 L78 | K63-A67 VanDerWaalsContact O-CB 3.31Å; K63-A67 WeakPolarHBondContact O-CB 3.21Å; K63-A67 PolarHBondContact O-N 3.5Å; V65-A67 VanDerWaalsContact C-N 3.35Å; V65-A67 PolarHBondContact O-N 3Å; A67-A69 VanDerWaalsContact C-N 3.32Å; A67-H74 HydrophobicContact CB-CB 4.17Å; A67-L78 HydrophobicContact CB-CD1 3.56Å; A67-L78 HydrophobicContact CB-CG 4.03Å |
| 68 | A | 95.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 75 Ų | 75 | 76% | 0.76 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.9 | -31.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A64 V65 | A64-A68 WeakPolarHBondContact O-CB 3.3Å; A64-A68 PolarHBondContact O-N 3.34Å; V65-A68 PolarHBondContact O-N 3.45Å |
| 69 | A | 96 | Very high | 92.3 | Very high | 86 Ų | 86 | 78.6 Ų | 78.6 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -91.7 | -18.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V65 L66 A67 | V65-A69 WeakPolarHBondContact O-CB 3.23Å; V65-A69 PolarHBondContact O-N 2.94Å; V65-A69 VanDerWaalsContact O-N 3.07Å; L66-A69 PolarHBondContact O-N 3.3Å; A67-A69 VanDerWaalsContact C-N 3.32Å |
| 70 | S | 96.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 78.5 Ų | 78.5 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | trans | -147.6 | 122.4 | -173.4 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | L66 Y72 F73 H74 | L66-S70 PolarHBondContact O-N 2.98Å; S70-Y72 PolarHBondContact O-N 3.16Å; S70-Y72 PolarHBondContact OG-N 3.25Å; S70-F73 PolarHBondContact O-N 3.42Å; S70-F73 VanDerWaalsContact O-N 3.14Å; S70-H74 PolarHBondContact O-N 3.21Å | ||
| 71 | P | 94.9 | Very high | 91.9 | Very high | 104 Ų | 104 | 76.3 Ų | 76.3 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56.8 | -35.5 | 174 | -25.2 | 34.1 | 0 | 0 | 0 | 113.2 | F73 H74 D75 | P71-F73 VanDerWaalsContact C-N 3.35Å; P71-F73 PolarHBondContact O-N 3.04Å; P71-H74 WeakPolarHBondContact O-CB 3.29Å; P71-H74 PolarHBondContact O-N 3.44Å; P71-D75 PolarHBondContact O-N 2.99Å |
| 72 | Y | 95.3 | Very high | 91.5 | Very high | 151 Ų | 151 | 79.9 Ų | 79.9 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.9 | -46.5 | 177.4 | 175.8 | -93.1 | 0 | 0 | 0 | 111.7 | S70 H74 K76 | S70-Y72 PolarHBondContact O-N 3.16Å; S70-Y72 PolarHBondContact OG-N 3.25Å; Y72-H74 VanDerWaalsContact C-N 3.35Å; Y72-K76 HydrophobicContact CE1-CG 4.32Å; Y72-K76 HydrophobicContact CE2-CG 4.25Å; Y72-K76 WeakPolarHBondContact O-CB 3.44Å; Y72-K76 WeakPolarHBondContact O-CG 3.3Å; Y72-K76 PolarHBondContact O-N 2.99Å |
| 73 | F | 95.5 | Very high | 91.2 | Very high | 53 Ų | 53 | 83.4 Ų | 83.4 | 23% | 0.232 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -74.7 | -28.7 | 178.6 | -75.6 | -61.1 | 0 | 0 | 0 | 112.1 | L52 L66 S70 P71 K76 L77 | L52-F73 HydrophobicContact CD1-CE1 3.97Å; L52-F73 HydrophobicContact CD1-CZ 3.85Å; L52-F73 HydrophobicContact CD2-CE1 4.09Å; L66-F73 HydrophobicContact CB-CB 3.82Å; L66-F73 HydrophobicContact CB-CD2 4.19Å; L66-F73 HydrophobicContact CB-CG 3.96Å; L66-F73 HydrophobicContact CD1-CD1 4.35Å; L66-F73 HydrophobicContact CD1-CG 4.46Å; L66-F73 HydrophobicContact CD2-CD2 4.29Å; L66-F73 HydrophobicContact CD2-CE2 4.38Å; S70-F73 PolarHBondContact O-N 3.42Å; S70-F73 VanDerWaalsContact O-N 3.14Å; P71-F73 VanDerWaalsContact C-N 3.35Å; P71-F73 PolarHBondContact O-N 3.04Å; F73-K76 PolarHBondContact O-N 3.04Å; F73-L77 HydrophobicContact CB-CD1 3.91Å; F73-L77 HydrophobicContact CB-CG 4.44Å; F73-L77 HydrophobicContact CD1-CD1 3.78Å; F73-L77 HydrophobicContact CD1-CG 4.21Å; F73-L77 HydrophobicContact CG-CD1 4.2Å; F73-L77 WeakPolarHBondContact O-CB 3.43Å; F73-L77 VanDerWaalsContact O-CG 3.31Å; F73-L77 WeakPolarHBondContact O-CG 3.44Å; F73-L77 PolarHBondContact O-N 2.78Å |
| 74 | H | 94.1 | Very high | 90.8 | Very high | 93 Ų | 93 | 84.1 Ų | 84.1 | 43% | 0.431 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.6 | -54.7 | 172.2 | -169.9 | 92.6 | 0 | 0 | 0 | 110.9 | A67 S70 P71 Y72 K76 L78 | A67-H74 HydrophobicContact CB-CB 4.17Å; S70-H74 PolarHBondContact O-N 3.21Å; P71-H74 WeakPolarHBondContact O-CB 3.29Å; P71-H74 PolarHBondContact O-N 3.44Å; Y72-H74 VanDerWaalsContact C-N 3.35Å; H74-K76 VanDerWaalsContact C-N 3.3Å; H74-K76 PolarHBondContact O-N 3.21Å; H74-L78 WeakPolarHBondContact O-CB 3.46Å; H74-L78 PolarHBondContact O-N 2.68Å |
| 75 | D | 94.3 | Very high | 90.4 | Very high | 95 Ų | 95 | 84.9 Ų | 84.9 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69 | -27.6 | -177.3 | -64.1 | -15.1 | 0 | 0 | 0 | 113.1 | P71 | P71-D75 PolarHBondContact O-N 2.99Å |
| 76 | K | 89.8 | Confident | 89.9 | Confident | 138 Ų | 138 | 87.3 Ų | 87.3 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -95.8 | -16.1 | -174.4 | -64.3 | -62.7 | -179.4 | -168.8 | 0 | 114.8 | Y72 F73 H74 | Y72-K76 HydrophobicContact CE1-CG 4.32Å; Y72-K76 HydrophobicContact CE2-CG 4.25Å; Y72-K76 WeakPolarHBondContact O-CB 3.44Å; Y72-K76 WeakPolarHBondContact O-CG 3.3Å; Y72-K76 PolarHBondContact O-N 2.99Å; F73-K76 PolarHBondContact O-N 3.04Å; H74-K76 VanDerWaalsContact C-N 3.3Å; H74-K76 PolarHBondContact O-N 3.21Å |
| 77 | L | 84.8 | Confident | 89.4 | Confident | 31 Ų | 31 | 91.3 Ų | 91.3 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -114.7 | -16 | -175.9 | -60.1 | 177.3 | 0 | 0 | 0 | 114.3 | V50 K63 L66 F73 | V50-L77 HydrophobicContact CG2-CD2 4.17Å; K63-L77 HydrophobicContact CB-CB 4.37Å; K63-L77 HydrophobicContact CB-CD1 4.34Å; K63-L77 HydrophobicContact CD-CB 4.46Å; K63-L77 HydrophobicContact CG-CB 4.25Å; K63-L77 HydrophobicContact CG-CD1 4.18Å; L66-L77 HydrophobicContact CB-CD1 3.96Å; L66-L77 HydrophobicContact CD1-CD1 3.85Å; F73-L77 HydrophobicContact CB-CD1 3.91Å; F73-L77 HydrophobicContact CB-CG 4.44Å; F73-L77 HydrophobicContact CD1-CD1 3.78Å; F73-L77 HydrophobicContact CD1-CG 4.21Å; F73-L77 HydrophobicContact CG-CD1 4.2Å; F73-L77 WeakPolarHBondContact O-CB 3.43Å; F73-L77 VanDerWaalsContact O-CG 3.31Å; F73-L77 WeakPolarHBondContact O-CG 3.44Å; F73-L77 PolarHBondContact O-N 2.78Å |
| 78 | L | 70.4 | Confident | 88.7 | Confident | 98 Ų | 98 | 98.3 Ų | 98.3 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | trans | -110.1 | 2.8 | -176.5 | -61 | 177.6 | 0 | 0 | 0 | 114.3 | A67 H74 | A67-L78 HydrophobicContact CB-CD1 3.56Å; A67-L78 HydrophobicContact CB-CG 4.03Å; H74-L78 WeakPolarHBondContact O-CB 3.46Å; H74-L78 PolarHBondContact O-N 2.68Å | ||
| 79 | L | 57.1 | Low | 88.1 | Confident | 203 Ų | 203 | 98.8 Ų | 98.8 | 100% | 1.063 | 52% | 0.521 | S | S | * | . | trans | -113.5 | 0 | 170.9 | -73.3 | 166.9 | 0 | 0 | 0 | 109.7 |
Retrieved 79 of 79 residues in 76 ms
(Link to these results)