| 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 | 52.9 | Low | 52.7 | Low | 218 Ų | 218 | 170.1 Ų | 170.1 | 100% | 1.074 | 84% | 0.836 | S | S | * | * | 0 | 106.1 | 0 | -73.1 | 83.9 | 164.1 | 0 | 0 | 107.5 | |||||
| 2 | D | 53.6 | Low | 54.3 | Low | 169 Ų | 169 | 166.4 Ų | 166.4 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | trans | -65.8 | 129.7 | -169 | -61.5 | -91.4 | 0 | 0 | 0 | 113.6 | ||||
| 3 | H | 52.1 | Low | 54.6 | Low | 187 Ų | 187 | 159 Ų | 159 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | -82.4 | 116.1 | 170.5 | -59.3 | -73.7 | 0 | 0 | 0 | 109.4 | ||||
| 4 | K | 57.3 | Low | 54.8 | Low | 201 Ų | 201 | 161.5 Ų | 161.5 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -122.5 | 101.4 | 164.9 | -179 | 177.3 | 156.1 | -174.9 | 0 | 109.6 | ||||
| 5 | P | 43.9 | Very low | 55 | Low | 98 Ų | 98 | 159.9 Ų | 159.9 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -92.9 | 160.8 | 168.9 | 38 | -31 | 0 | 0 | 0 | 110.6 | ||||
| 6 | L | 43.8 | Very low | 55.1 | Low | 153 Ų | 153 | 159.7 Ų | 159.7 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | 69.6 | 108.2 | 164.1 | -44.4 | -175 | 0 | 0 | 0 | 116.9 | ||||
| 7 | L | 52.3 | Low | 54.6 | Low | 163 Ų | 163 | 160.9 Ų | 160.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | -173.3 | 94.6 | 123.7 | -84.9 | -154.1 | 0 | 0 | 0 | 109.9 | E9 | L7-E9 PolarHBondContact O-N 3.11Š| |||
| 8 | Q | 48.4 | Very low | 54.3 | Low | 178 Ų | 178 | 158 Ų | 158 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 39.1 | 81.2 | 130.1 | -158.2 | 144 | -24.7 | 0 | 0 | 116.9 | R10 | Q8-R10 PolarHBondContact O-N 3.44Š| ||
| 9 | E | 49.9 | Very low | 53.8 | Low | 202 Ų | 202 | 153.8 Ų | 153.8 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | trans | -72.8 | 69.2 | 170.8 | -151.9 | 173.6 | 131.5 | 0 | 0 | 110.1 | L7 | L7-E9 PolarHBondContact O-N 3.11Š| ||
| 10 | R | 59.9 | Low | 52.9 | Low | 202 Ų | 202 | 156.1 Ų | 156.1 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 122.1 | 167.4 | -175.3 | -164.5 | 175.6 | 157.7 | 1.5 | 108 | Q8 | Q8-R10 PolarHBondContact O-N 3.44Š|
| 11 | P | 65.9 | Low | 52.2 | Low | 100 Ų | 100 | 150.8 Ų | 150.8 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 153.5 | 176.9 | 24.2 | -31.4 | 0 | 0 | 0 | 111.9 | ||
| 12 | P | 71.3 | Confident | 51.6 | Low | 126 Ų | 126 | 147.7 Ų | 147.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.6 | -175 | -21.9 | 31.9 | 0 | 0 | 0 | 112.7 | Y14 | P12-Y14 PolarHBondContact O-N 2.83Š|
| 13 | A | 59.2 | Low | 51.1 | Low | 70 Ų | 70 | 149.4 Ų | 149.4 | 58% | 0.579 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 123.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | N15 | A13-N15 PolarHBondContact O-N 3.17Š|
| 14 | Y | 56.6 | Low | 50.3 | Low | 194 Ų | 194 | 145.6 Ų | 145.6 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 121.5 | 172 | 56.4 | -88 | 0 | 0 | 0 | 108.4 | P12 L16 | P12-Y14 PolarHBondContact O-N 2.83Å; Y14-L16 HydrophobicContact CD2-CD1 4.25Å; Y14-L16 HydrophobicContact CE2-CD1 3.79Å; Y14-L16 HydrophobicContact CE2-CG 4.47Å |
| 15 | N | 57.9 | Low | 49.6 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 121.4 | 172.4 | -56.5 | -43.4 | 0 | 0 | 0 | 107.7 | A13 E17 | A13-N15 PolarHBondContact O-N 3.17Å; N15-E17 PolarHBondContact O-N 3.35Å |
| 16 | L | 56.9 | Low | 49.8 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -76.2 | 66 | 174.3 | -102.4 | 133.9 | 0 | 0 | 0 | 109.9 | Y14 | Y14-L16 HydrophobicContact CD2-CD1 4.25Å; Y14-L16 HydrophobicContact CE2-CD1 3.79Å; Y14-L16 HydrophobicContact CE2-CG 4.47Å | ||
| 17 | E | 47.1 | Very low | 49.9 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -135 | 74.5 | 174.2 | -95.7 | 159.1 | 86 | 0 | 0 | 109 | N15 | N15-E17 PolarHBondContact O-N 3.35Š| ||
| 18 | A | 48 | Very low | 50 | Low | 108 Ų | 108 | 138.6 Ų | 138.6 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -147.5 | 96.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 19 | G | 45 | Very low | 49.7 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 127.8 | 55.4 | 164 | 0 | 0 | 0 | 0 | 0 | 116.3 | G21 | G19-G21 PolarHBondContact O-N 3.05Š| ||
| 20 | Q | 35.7 | Very low | 49.5 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | trans | -47.7 | 120 | 165.5 | -166.8 | 153.6 | -59 | 0 | 0 | 111.6 | ||||
| 21 | G | 39 | Very low | 48.7 | Very low | 44 Ų | 44 | 128.3 Ų | 128.3 | 45% | 0.454 | 77% | 0.766 | S | S | . | * | trans | -177.8 | 50.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G19 Y23 | G19-G21 PolarHBondContact O-N 3.05Å; G21-Y23 PolarHBondContact O-N 3.49Å | ||
| 22 | D | 40 | Very low | 48 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 91.6 | 179.3 | -85.8 | -79.3 | 0 | 0 | 0 | 112.1 | ||||
| 23 | Y | 42.2 | Very low | 47.3 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -111 | 108.1 | 147.7 | -15.2 | -77.3 | 0 | 0 | 0 | 106.1 | G21 C25 | G21-Y23 PolarHBondContact O-N 3.49Å; Y23-C25 PolarHBondContact O-N 3.19Å; Y23-C25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | A | 35.6 | Very low | 47.5 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -59 | 110.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 25 | C | 44 | Very low | 47.8 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -117.2 | 110.2 | 155.3 | -165.4 | 0 | 0 | 0 | 0 | 106.1 | Y23 | Y23-C25 PolarHBondContact O-N 3.19Å; Y23-C25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | G | 47.1 | Very low | 48.3 | Very low | 46 Ų | 46 | 125.7 Ų | 125.7 | 47% | 0.474 | 79% | 0.789 | S | S | . | * | trans | -64.8 | 161.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | H28 | G26-H28 PolarHBondContact O-CD2 3.4Å; G26-H28 PolarHBondContact O-N 3.35Å; G26-H28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | P | 46.7 | Very low | 49.2 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -78.2 | 102.3 | -173.5 | 32.4 | -30.8 | 0 | 0 | 0 | 109.4 | G29 | P27-G29 PolarHBondContact O-N 2.88Š| ||
| 28 | H | 54 | Low | 50.6 | Low | 171 Ų | 171 | 120.8 Ų | 120.8 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 109.8 | 167.3 | -73 | -88.8 | 0 | 0 | 0 | 108.8 | G26 Y30 | G26-H28 PolarHBondContact O-CD2 3.4Å; G26-H28 PolarHBondContact O-N 3.35Å; G26-H28 VanDerWaalsContact O-N 3.1Å; H28-Y30 PolarHBondContact O-N 3.23Å | ||
| 29 | G | 41.9 | Very low | 51.9 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -58 | 117.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P27 | P27-G29 PolarHBondContact O-N 2.88Š| ||
| 30 | Y | 45.1 | Very low | 53.5 | Low | 222 Ų | 222 | 123 Ų | 123 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -88.6 | 115.3 | 165.6 | 52 | -84.6 | 0 | 0 | 0 | 108.2 | H28 | H28-Y30 PolarHBondContact O-N 3.23Š| ||
| 31 | G | 44.2 | Very low | 55.3 | Low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 157.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I33 | G31-I33 PolarHBondContact O-N 3.21Š|
| 32 | A | 51 | Low | 56.6 | Low | 105 Ų | 105 | 127.2 Ų | 127.2 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 127.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 33 | I | 56.2 | Low | 58 | Low | 158 Ų | 158 | 125.5 Ų | 125.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 128.6 | 171.8 | -48.9 | 165.1 | 0 | 0 | 0 | 107.4 | G31 | G31-I33 PolarHBondContact O-N 3.21Š|
| 34 | P | 62.4 | Low | 58.7 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.9 | 174 | -13 | 24.2 | 0 | 0 | 0 | 110.8 | A36 | P34-A36 PolarHBondContact O-N 3.48Š|
| 35 | A | 63.1 | Low | 59.7 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 36 | A | 69.7 | Low | 60.1 | Low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 144.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P34 | P34-A36 PolarHBondContact O-N 3.48Š|
| 37 | P | 75.3 | Confident | 60.2 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67 | 153.1 | 176.9 | 25.5 | -31.8 | 0 | 0 | 0 | 112.6 | ||
| 38 | P | 76.3 | Confident | 60.3 | Low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 147.3 | -176.5 | 25.9 | -33.9 | 0 | 0 | 0 | 112.8 | ||
| 39 | P | 76.1 | Confident | 60.1 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149.9 | 178.9 | 28.2 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 40 | P | 77.4 | Confident | 60.6 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 154 | 178.3 | 27.3 | -33.4 | 0 | 0 | 0 | 112.6 | Y42 | P40-Y42 PolarHBondContact O-N 3.37Š|
| 41 | P | 74.7 | Confident | 61 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.2 | 178.5 | -16.7 | 29.7 | 0 | 0 | 0 | 111.7 | ||
| 42 | Y | 65.5 | Low | 61.3 | Low | 207 Ų | 207 | 130.3 Ų | 130.3 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 136.4 | 173.8 | 33 | -90.4 | 0 | 0 | 0 | 110.7 | P40 Y44 | P40-Y42 PolarHBondContact O-N 3.37Å; Y42-Y44 PolarHBondContact O-N 3.14Å |
| 43 | P | 70.1 | Confident | 61.5 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.6 | 167.9 | 28.7 | -29.3 | 0 | 0 | 0 | 108.7 | L45 | P43-L45 PolarHBondContact O-N 3.14Š|
| 44 | Y | 55.4 | Low | 61.3 | Low | 200 Ų | 200 | 129.5 Ų | 129.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 116 | 170.6 | 51.5 | -82.5 | 0 | 0 | 0 | 108.2 | Y42 V46 | Y42-Y44 PolarHBondContact O-N 3.14Å; Y44-V46 PolarHBondContact O-N 3.19Å |
| 45 | L | 57.7 | Low | 60.7 | Low | 173 Ų | 173 | 134.8 Ų | 134.8 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 118 | 162.7 | -88.5 | 168.2 | 0 | 0 | 0 | 108 | P43 T47 | P43-L45 PolarHBondContact O-N 3.14Å; L45-T47 PolarHBondContact O-N 2.86Å |
| 46 | V | 52.5 | Low | 59.9 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 130.2 | 175.1 | 159.2 | 0 | 0 | 0 | 0 | 111.1 | Y44 G48 | Y44-V46 PolarHBondContact O-N 3.19Å; V46-G48 PolarHBondContact O-N 2.87Å; V46-G48 VanDerWaalsContact O-N 3.13Å |
| 47 | T | 48.4 | Very low | 58.9 | Low | 140 Ų | 140 | 141.4 Ų | 141.4 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -50.8 | 106.8 | 173.9 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | L45 | L45-T47 PolarHBondContact O-N 2.86Š| ||
| 48 | G | 49.6 | Very low | 57.7 | Low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -115.2 | 99.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | V46 | V46-G48 PolarHBondContact O-N 2.87Å; V46-G48 VanDerWaalsContact O-N 3.13Å | ||
| 49 | I | 48.8 | Very low | 56.5 | Low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | 27.3 | 112.6 | 154.6 | -47.3 | 172.2 | 0 | 0 | 0 | 117.4 | T51 | I49-T51 HydrophobicContact CG2-CG2 3.92Å; I49-T51 PolarHBondContact O-N 3.41Å | ||
| 50 | P | 53.3 | Low | 55.6 | Low | 130 Ų | 130 | 143 Ų | 143 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | trans | -84.2 | 100.5 | 163.9 | 30.2 | -23 | 0 | 0 | 0 | 109.8 | ||||
| 51 | T | 53.4 | Low | 54.1 | Low | 98 Ų | 98 | 143.6 Ų | 143.6 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | trans | -80.3 | 117.5 | 165.2 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | I49 H53 | I49-T51 HydrophobicContact CG2-CG2 3.92Å; I49-T51 PolarHBondContact O-N 3.41Å; T51-H53 WeakPolarHBondContact CB-NE2 3.38Å; T51-H53 PolarHBondContact O-CD2 3.33Å; T51-H53 PolarHBondContact O-N 3.29Å; T51-H53 VanDerWaalsContact O-N 3.15Å; T51-H53 PolarHBondContact OG1-CD2 3.1Å; T51-H53 PolarHBondContact OG1-NE2 3.38Å; T51-H53 VanDerWaalsContact OG1-NE2 3.12Å | ||
| 52 | H | 50.2 | Low | 53 | Low | 180 Ų | 180 | 148 Ų | 148 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -70.8 | 99.5 | -178.6 | -164 | -94.4 | 0 | 0 | 0 | 110.4 | ||||
| 53 | H | 56.3 | Low | 52.3 | Low | 132 Ų | 132 | 144.2 Ų | 144.2 | 61% | 0.611 | 76% | 0.761 | S | S | * | * | trans | -119.9 | 112 | 171.1 | -57.7 | -72.3 | 0 | 0 | 0 | 110.1 | T51 R55 | T51-H53 WeakPolarHBondContact CB-NE2 3.38Å; T51-H53 PolarHBondContact O-CD2 3.33Å; T51-H53 PolarHBondContact O-N 3.29Å; T51-H53 VanDerWaalsContact O-N 3.15Å; T51-H53 PolarHBondContact OG1-CD2 3.1Å; T51-H53 PolarHBondContact OG1-NE2 3.38Å; T51-H53 VanDerWaalsContact OG1-NE2 3.12Å; H53-R55 PolarHBondContact O-N 3.04Å; H53-R55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | P | 50.5 | Low | 51.4 | Low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -78.5 | 93.3 | 168.5 | 30.7 | -26.9 | 0 | 0 | 0 | 107.7 | V56 | P54-V56 PolarHBondContact O-N 3.35Š| ||
| 55 | R | 50 | Low | 51 | Low | 225 Ų | 225 | 140.8 Ų | 140.8 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | trans | -86.2 | 101.4 | 169.5 | -88.7 | -165.5 | 159.3 | 112.3 | -1 | 109.8 | H53 Y57 | H53-R55 PolarHBondContact O-N 3.04Å; H53-R55 VanDerWaalsContact O-N 3.09Å; R55-Y57 PolarHBondContact O-N 3.47Å | ||
| 56 | V | 47.7 | Very low | 50.7 | Low | 141 Ų | 141 | 143 Ų | 143 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -57.7 | 117.6 | 157.3 | 177.6 | 0 | 0 | 0 | 0 | 108 | P54 | P54-V56 PolarHBondContact O-N 3.35Š| ||
| 57 | Y | 47.5 | Very low | 50.4 | Low | 192 Ų | 192 | 147.2 Ų | 147.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -137.8 | 104.1 | 163.6 | -164.8 | -94.9 | 0 | 0 | 0 | 110.7 | R55 | R55-Y57 PolarHBondContact O-N 3.47Š| ||
| 58 | N | 50.1 | Low | 50.8 | Low | 93 Ų | 93 | 145.5 Ų | 145.5 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | trans | 40.5 | 93.5 | 136.3 | -154.2 | -46.2 | 0 | 0 | 0 | 117.6 | H60 | N58-H60 PolarHBondContact ND2-CE1 3.41Å; N58-H60 PolarHBondContact O-N 2.93Å; N58-H60 PolarHBondContact OD1-CE1 3.38Å; N58-H60 PolarHBondContact OD1-N 3.32Å; N58-H60 PolarHBondContact OD1-ND1 2.77Å | ||
| 59 | I | 52.2 | Low | 51 | Low | 177 Ų | 177 | 146.6 Ų | 146.6 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | trans | -65.5 | 76.4 | 159.2 | 40.4 | 166.5 | 0 | 0 | 0 | 110.3 | S61 | I59-S61 PolarHBondContact O-N 3.5Š| ||
| 60 | H | 55.8 | Low | 51.3 | Low | 118 Ų | 118 | 144.6 Ų | 144.6 | 55% | 0.546 | 74% | 0.743 | S | S | . | * | trans | -65.2 | 124.4 | 161.6 | -83.9 | 85.6 | 0 | 0 | 0 | 108.6 | N58 R62 | N58-H60 PolarHBondContact ND2-CE1 3.41Å; N58-H60 PolarHBondContact O-N 2.93Å; N58-H60 PolarHBondContact OD1-CE1 3.38Å; N58-H60 PolarHBondContact OD1-N 3.32Å; N58-H60 PolarHBondContact OD1-ND1 2.77Å; H60-R62 PolarHBondContact O-N 3.42Å | ||
| 61 | S | 47 | Very low | 51.1 | Low | 126 Ų | 126 | 143.6 Ų | 143.6 | 88% | 0.881 | 74% | 0.739 | S | S | * | * | trans | -52.4 | 73.7 | 161.6 | 39.8 | 0 | 0 | 0 | 0 | 111.5 | I59 | I59-S61 PolarHBondContact O-N 3.5Š| ||
| 62 | R | 52.3 | Low | 51.2 | Low | 219 Ų | 219 | 145.8 Ų | 145.8 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -94.8 | 127 | 161.4 | -86.8 | -178.5 | 175.4 | -178.7 | -0.6 | 107.3 | H60 V64 | H60-R62 PolarHBondContact O-N 3.42Å; R62-V64 PolarHBondContact O-N 3.39Å | ||
| 63 | T | 50.3 | Low | 51.4 | Low | 128 Ų | 128 | 142.3 Ų | 142.3 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -27.5 | 110.1 | 165.4 | -51.1 | 0 | 0 | 0 | 0 | 109.8 | T65 | T63-T65 PolarHBondContact O-N 2.89Š| ||
| 64 | V | 50 | Low | 51.4 | Low | 132 Ų | 132 | 142.7 Ų | 142.7 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -68 | 80.4 | 173 | 178 | 0 | 0 | 0 | 0 | 105.7 | R62 R66 | R62-V64 PolarHBondContact O-N 3.39Å; V64-R66 PolarHBondContact O-N 3.1Å | ||
| 65 | T | 48.1 | Very low | 51.8 | Low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | -66.9 | 91.9 | 160.3 | -49.4 | 0 | 0 | 0 | 0 | 104.3 | T63 Y67 | T63-T65 PolarHBondContact O-N 2.89Å; T65-Y67 PolarHBondContact O-N 3.31Å | ||
| 66 | R | 51.5 | Low | 52.7 | Low | 219 Ų | 219 | 134.4 Ų | 134.4 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | -41.6 | 118.6 | 166.3 | -89.6 | -165.5 | -175.3 | -165 | 4.6 | 106.9 | V64 P68 | V64-R66 PolarHBondContact O-N 3.1Å; R66-P68 WeakPolarHBondContact O-CD 3.38Å | ||
| 67 | Y | 44.8 | Very low | 54.1 | Low | 210 Ų | 210 | 128.8 Ų | 128.8 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -52.7 | 123.9 | 162.8 | -67.5 | -96.9 | 0 | 0 | 0 | 108.6 | T65 A69 | T65-Y67 PolarHBondContact O-N 3.31Å; Y67-A69 VanDerWaalsContact C-N 3.26Å; Y67-A69 PolarHBondContact O-N 3.46Å | ||
| 68 | P | 57.5 | Low | 55.5 | Low | 104 Ų | 104 | 119.7 Ų | 119.7 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | -80.3 | 91.6 | 132.6 | 31.2 | -19 | 0 | 0 | 0 | 105 | R66 N70 | R66-P68 WeakPolarHBondContact O-CD 3.38Å; P68-N70 VanDerWaalsContact CB-OD1 3.29Å; P68-N70 WeakPolarHBondContact CB-OD1 3.26Å; P68-N70 PolarHBondContact O-N 3.49Å; P68-N70 PolarHBondContact O-OD1 3.44Å | ||
| 69 | A | 53.9 | Low | 57 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | trans | -72.6 | 65.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y67 | Y67-A69 VanDerWaalsContact C-N 3.26Å; Y67-A69 PolarHBondContact O-N 3.46Å | ||
| 70 | N | 55 | Low | 58.3 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 51% | 0.508 | 66% | 0.66 | S | S | . | * | trans | -137.4 | 94.7 | 165.1 | 58.4 | -51.9 | 0 | 0 | 0 | 106.3 | P68 I72 | P68-N70 VanDerWaalsContact CB-OD1 3.29Å; P68-N70 WeakPolarHBondContact CB-OD1 3.26Å; P68-N70 PolarHBondContact O-N 3.49Å; P68-N70 PolarHBondContact O-OD1 3.44Å; N70-I72 VanDerWaalsContact C-N 3.26Å; N70-I72 PolarHBondContact O-N 2.92Å | ||
| 71 | S | 50.2 | Low | 59.5 | Low | 109 Ų | 109 | 111.8 Ų | 111.8 | 76% | 0.762 | 65% | 0.645 | S | S | * | * | trans | -42.1 | 106.3 | 146.3 | 42.6 | 0 | 0 | 0 | 0 | 107.2 | V73 | S71-V73 WeakPolarHBondContact O-CG2 3.38Å; S71-V73 PolarHBondContact O-N 3.03Å | ||
| 72 | I | 55.1 | Low | 60.9 | Low | 144 Ų | 144 | 114.7 Ų | 114.7 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | trans | -63.8 | 73.2 | 167.9 | 42.1 | 152.7 | 0 | 0 | 0 | 107.9 | N70 V74 | N70-I72 VanDerWaalsContact C-N 3.26Å; N70-I72 PolarHBondContact O-N 2.92Å; I72-V74 PolarHBondContact O-N 3.19Å | ||
| 73 | V | 53.9 | Low | 62 | Low | 107 Ų | 107 | 109.3 Ų | 109.3 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | trans | -73.5 | 107.8 | 155.6 | -126 | 0 | 0 | 0 | 0 | 104.3 | S71 V75 | S71-V73 WeakPolarHBondContact O-CG2 3.38Å; S71-V73 PolarHBondContact O-N 3.03Å; V73-V75 HydrophobicContact CB-CG2 3.96Å; V73-V75 HydrophobicContact CG1-CG2 4.48Å; V73-V75 PolarHBondContact O-N 3.03Å | ||
| 74 | V | 56.9 | Low | 63 | Low | 139 Ų | 139 | 103.5 Ų | 103.5 | 84% | 0.842 | 59% | 0.593 | S | S | * | * | trans | -67 | 72.4 | 169.4 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | I72 G76 | I72-V74 PolarHBondContact O-N 3.19Å; V74-G76 PolarHBondContact O-N 3.49Å | ||
| 75 | V | 58.7 | Low | 64.2 | Low | 89 Ų | 89 | 102.1 Ų | 102.1 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | trans | -81 | 107.6 | 165 | -167.1 | 0 | 0 | 0 | 0 | 104.3 | V73 G77 | V73-V75 HydrophobicContact CB-CG2 3.96Å; V73-V75 HydrophobicContact CG1-CG2 4.48Å; V73-V75 PolarHBondContact O-N 3.03Å; V75-G77 PolarHBondContact O-N 3.44Å | ||
| 76 | G | 69 | Low | 65.6 | Low | 76 Ų | 76 | 99 Ų | 99 | 78% | 0.784 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -65.5 | 62.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | V74 | V74-G76 PolarHBondContact O-N 3.49Š|
| 77 | G | 75.4 | Confident | 66.8 | Low | 22 Ų | 22 | 93.4 Ų | 93.4 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -149.5 | -175.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V75 G84 | V75-G77 PolarHBondContact O-N 3.44Å; G77-G84 CarbonylContact C-O 3.44Å; G77-G84 WeakPolarHBondContact CA-O 3.39Å |
| 78 | C | 78.8 | Confident | 68.4 | Low | 1 Ų | 1 | 86.4 Ų | 86.4 | 1% | 0.007 | 52% | 0.524 | C | S | . | . | trans | -55.5 | 122.2 | 177.6 | 167.1 | 0 | 0 | 0 | 0 | 109.5 | V80 C81 R82 G84 C117 C120 | C78-V80 PolarHBondContact O-N 3.14Å; C78-V80 VanDerWaalsContact O-N 3.09Å; C78-V80 VanDerWaalsContact SG-CB 3.57Å; C78-V80 PolarHBondContact SG-N 2.75Å; C78-V80 VanDerWaalsContact SG-N 3.42Å; C78-C81 WeakPolarHBondContact CB-SG 3.42Å; C78-C81 PolarHBondContact O-N 2.79Å; C78-C81 PolarHBondContact SG-N 2.79Å; C78-C81 VanDerWaalsContact SG-N 3.38Å; C78-R82 VanDerWaalsContact O-CA 3.3Å; C78-R82 WeakPolarHBondContact O-CA 3.45Å; C78-R82 PolarHBondContact O-N 2.76Å; C78-G84 PolarHBondContact N-O 2.96Å; C78-C117 HydrophobicContact CB-CB 3.55Å; C78-C117 WeakPolarHBondContact CB-SG 3.27Å; C78-C120 WeakPolarHBondContact CB-SG 3.48Å; C78-C120 WeakPolarHBondContact SG-CB 3.04Å; C78-C120 CovalentContact SG-SG 2.13Å; C78-C120 PolarHBondContact SG-SG 2.71Å | ||
| 79 | P | 79.8 | Confident | 69.4 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.4 | 179.3 | 27.9 | -36.8 | 0 | 0 | 0 | 113.1 | F124 | P79-F124 HydrophobicContact CG-CD1 4.07Å; P79-F124 HydrophobicContact CG-CE1 3.26Å; P79-F124 HydrophobicContact CG-CE2 3.96Å; P79-F124 HydrophobicContact CG-CZ 3.21Å |
| 80 | V | 80.4 | Confident | 70.7 | Confident | 101 Ų | 101 | 84.1 Ų | 84.1 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -51.9 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | C78 C120 A122 F124 | C78-V80 PolarHBondContact O-N 3.14Å; C78-V80 VanDerWaalsContact O-N 3.09Å; C78-V80 VanDerWaalsContact SG-CB 3.57Å; C78-V80 PolarHBondContact SG-N 2.75Å; C78-V80 VanDerWaalsContact SG-N 3.42Å; V80-C120 HydrophobicContact CB-CB 4.41Å; V80-C120 HydrophobicContact CG1-CB 4.31Å; V80-A122 HydrophobicContact CB-CB 4.19Å; V80-A122 HydrophobicContact CG2-CB 3.86Å; V80-F124 HydrophobicContact CG2-CZ 3.95Å |
| 81 | C | 80.7 | Confident | 72.1 | Confident | 35 Ų | 35 | 81.8 Ų | 81.8 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -14.9 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 115.3 | C78 V83 G84 C120 | C78-C81 WeakPolarHBondContact CB-SG 3.42Å; C78-C81 PolarHBondContact O-N 2.79Å; C78-C81 PolarHBondContact SG-N 2.79Å; C78-C81 VanDerWaalsContact SG-N 3.38Å; C81-V83 HydrophobicContact CB-CG2 3.7Å; C81-V83 WeakPolarHBondContact O-CG2 3.06Å; C81-V83 PolarHBondContact O-N 3.44Å; C81-G84 PolarHBondContact SG-N 3Å; C81-G84 VanDerWaalsContact SG-N 3.39Å; C81-C120 HydrophobicContact CB-CB 3.6Å; C81-C120 WeakPolarHBondContact SG-CB 3.38Å; C81-C120 VanDerWaalsContact SG-SG 3.63Å |
| 82 | R | 77.1 | Confident | 73.6 | Confident | 186 Ų | 186 | 84.8 Ų | 84.8 | 70% | 0.702 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 57.7 | -7.1 | -176.5 | -55 | -179.1 | 178.1 | -175.9 | -1.3 | 116.2 | C78 | C78-R82 VanDerWaalsContact O-CA 3.3Å; C78-R82 WeakPolarHBondContact O-CA 3.45Å; C78-R82 PolarHBondContact O-N 2.76Å |
| 83 | V | 74.8 | Confident | 75.1 | Confident | 106 Ų | 106 | 82.9 Ų | 82.9 | 64% | 0.642 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -102.1 | -24.3 | -179.8 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | C81 N119 | C81-V83 HydrophobicContact CB-CG2 3.7Å; C81-V83 WeakPolarHBondContact O-CG2 3.06Å; C81-V83 PolarHBondContact O-N 3.44Å; V83-N119 WeakPolarHBondContact CG2-ND2 3.34Å |
| 84 | G | 71.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 6% | 0.062 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -91.2 | 142.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | G77 C78 C81 | G77-G84 CarbonylContact C-O 3.44Å; G77-G84 WeakPolarHBondContact CA-O 3.39Å; C78-G84 PolarHBondContact N-O 2.96Å; C81-G84 PolarHBondContact SG-N 3Å; C81-G84 VanDerWaalsContact SG-N 3.39Å |
| 85 | V | 73.9 | Confident | 78.2 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | trans | -75.9 | 145 | 165.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | P118 | V85-P118 WeakPolarHBondContact O-CD 3.45Š| ||
| 86 | L | 77.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | trans | -91.7 | 113.1 | 179.7 | -165.8 | 64.2 | 0 | 0 | 0 | 108.9 | R115 C117 F124 | L86-R115 HydrophobicContact CD1-CB 4.07Å; L86-R115 HydrophobicContact CD2-CB 3.61Å; L86-R115 HydrophobicContact CD2-CG 4.01Å; L86-R115 HydrophobicContact CG-CB 3.64Å; L86-R115 HydrophobicContact CG-CG 4.15Å; L86-C117 HydrophobicContact CD1-CB 3.99Å; L86-F124 HydrophobicContact CD1-CD2 3.45Å; L86-F124 VanDerWaalsContact CD1-CD2 3.45Å; L86-F124 HydrophobicContact CD1-CE2 3.8Å; L86-F124 HydrophobicContact CD2-CD2 3.99Å; L86-F124 HydrophobicContact CG-CD2 4.39Å | ||
| 87 | E | 76.4 | Confident | 80.7 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.7 | -178.7 | -66.9 | -179.1 | 121.4 | 0 | 0 | 110.5 | C89 R115 R116 P118 | E87-C89 PolarHBondContact O-N 2.76Å; E87-R115 CarbonylContact O-C 3.48Å; E87-R115 WeakPolarHBondContact O-CA 3.41Å; E87-R116 PolarHBondContact N-O 2.73Å; E87-R116 PolarHBondContact O-N 3.39Å; E87-P118 WeakPolarHBondContact OE2-CG 3.15Å |
| 88 | D | 79.9 | Confident | 81.4 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 105.9 | 175.3 | -82.8 | -36.2 | 0 | 0 | 0 | 109.6 | F90 R113 R115 | D88-F90 HydrophobicContact CB-CE2 4.4Å; D88-R113 HydrophobicContact CB-CG 3.84Å; D88-R113 WeakPolarHBondContact OD1-CD 3.41Å; D88-R113 IonicContact OD1-CZ 3.77Å; D88-R113 IonicContact OD1-NE 3.41Å; D88-R113 PolarHBondContact OD1-NE 3.33Å; D88-R113 IonicContact OD1-NH1 3.87Å; D88-R113 IonicContact OD2-CZ 3.43Å; D88-R113 IonicContact OD2-NE 3.67Å; D88-R113 IonicContact OD2-NH1 2.77Å; D88-R113 PolarHBondContact OD2-NH1 2.74Å; D88-R115 WeakPolarHBondContact OD1-CG 3.31Å; D88-R115 IonicContact OD1-NE 3.38Å; D88-R115 PolarHBondContact OD1-NE 3.21Å |
| 89 | C | 77.8 | Confident | 82 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 115.7 | 172.1 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | E87 K114 | E87-C89 PolarHBondContact O-N 2.76Å; C89-K114 PolarHBondContact N-O 3.26Å; C89-K114 PolarHBondContact O-N 2.86Å |
| 90 | F | 81.4 | Confident | 82.6 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 39% | 0.39 | 41% | 0.413 | S | S | . | . | trans | -84.1 | 133.9 | 169.8 | -63.2 | -82.6 | 0 | 0 | 0 | 109.9 | D88 I95 C109 F110 R113 | D88-F90 HydrophobicContact CB-CE2 4.4Å; F90-I95 HydrophobicContact CB-CD1 3.95Å; F90-I95 HydrophobicContact CB-CG1 3.84Å; F90-C109 WeakPolarHBondContact CD1-SG 3.49Å; F90-F110 HydrophobicContact CE1-CD1 4.23Å; F90-F110 HydrophobicContact CE1-CE1 4.27Å; F90-F110 HydrophobicContact CZ-CE1 4.32Å; F90-R113 HydrophobicContact CD1-CB 4.21Å; F90-R113 HydrophobicContact CD1-CG 4.13Å; F90-R113 HydrophobicContact CE1-CB 4.17Å; F90-R113 VanDerWaalsContact CE1-CD 3.48Å; F90-R113 HydrophobicContact CE1-CG 3.92Å; F90-R113 HydrophobicContact CZ-CG 4.28Å | ||
| 91 | T | 83.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 80.1 Ų | 80.1 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | trans | -70.6 | 145 | 171.7 | 62 | 0 | 0 | 0 | 0 | 109.3 | L93 G94 I95 | T91-L93 PolarHBondContact O-N 3.44Å; T91-G94 WeakPolarHBondContact O-CA 3.5Å; T91-G94 PolarHBondContact O-N 3.01Å; T91-G94 PolarHBondContact OG1-N 2.77Å; T91-I95 PolarHBondContact O-N 3Å | ||
| 92 | F | 83.3 | Confident | 83 | Confident | 173 Ų | 173 | 85.7 Ų | 85.7 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.4 | -39.5 | 173.7 | -177.7 | -95.6 | 0 | 0 | 0 | 111.4 | I95 F96 | F92-I95 PolarHBondContact O-N 3.38Å; F92-F96 WeakPolarHBondContact O-CB 3.35Å; F92-F96 PolarHBondContact O-N 2.9Å |
| 93 | L | 86.3 | Confident | 83.3 | Confident | 103 Ų | 103 | 80.5 Ų | 80.5 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.6 | -176.7 | 67.8 | 0 | 0 | 0 | 112.3 | T91 I95 F96 L97 | T91-L93 PolarHBondContact O-N 3.44Å; L93-I95 VanDerWaalsContact C-N 3.35Å; L93-I95 PolarHBondContact O-N 3.44Å; L93-F96 PolarHBondContact O-N 2.79Å; L93-L97 HydrophobicContact CD1-CD1 4.45Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 WeakPolarHBondContact O-CB 3.09Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 PolarHBondContact O-N 2.8Å |
| 94 | G | 88.2 | Confident | 84 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T91 L97 A98 C109 | T91-G94 WeakPolarHBondContact O-CA 3.5Å; T91-G94 PolarHBondContact O-N 3.01Å; T91-G94 PolarHBondContact OG1-N 2.77Å; G94-L97 PolarHBondContact O-N 3.3Å; G94-A98 WeakPolarHBondContact O-CB 3.39Å; G94-A98 PolarHBondContact O-N 3.38Å; G94-C109 VanDerWaalsContact C-SG 3.56Å; G94-C109 WeakPolarHBondContact O-CB 3.11Å; G94-C109 PolarHBondContact O-SG 2.74Å |
| 95 | I | 88.2 | Confident | 84.8 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 40% | 0.395 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 176.3 | -60.8 | 162.9 | 0 | 0 | 0 | 110.5 | F90 T91 F92 L93 L97 A98 I99 | F90-I95 HydrophobicContact CB-CD1 3.95Å; F90-I95 HydrophobicContact CB-CG1 3.84Å; T91-I95 PolarHBondContact O-N 3Å; F92-I95 PolarHBondContact O-N 3.38Å; L93-I95 VanDerWaalsContact C-N 3.35Å; L93-I95 PolarHBondContact O-N 3.44Å; I95-L97 VanDerWaalsContact C-N 3.35Å; I95-L97 PolarHBondContact O-N 3.39Å; I95-A98 WeakPolarHBondContact O-CB 3.32Å; I95-A98 PolarHBondContact O-N 3.39Å; I95-I99 HydrophobicContact CG2-CD1 4.1Å; I95-I99 WeakPolarHBondContact O-CG1 3.41Å; I95-I99 PolarHBondContact O-N 3.45Å; I95-I99 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 90.3 | Very high | 85.4 | Confident | 110 Ų | 110 | 82 Ų | 82 | 48% | 0.482 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60 | -44 | 177.9 | -176.2 | -104.1 | 0 | 0 | 0 | 112.1 | F92 L93 I99 I100 | F92-F96 WeakPolarHBondContact O-CB 3.35Å; F92-F96 PolarHBondContact O-N 2.9Å; L93-F96 PolarHBondContact O-N 2.79Å; F96-I99 PolarHBondContact O-N 3.45Å; F96-I100 HydrophobicContact CD1-CD1 3.93Å; F96-I100 HydrophobicContact CD2-CD1 4.19Å; F96-I100 HydrophobicContact CE1-CD1 3.37Å; F96-I100 HydrophobicContact CE2-CD1 3.66Å; F96-I100 HydrophobicContact CG-CD1 4.32Å; F96-I100 HydrophobicContact CZ-CD1 3.23Å; F96-I100 PolarHBondContact O-N 2.13Å |
| 97 | L | 88.2 | Confident | 86 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 174.9 | -68.4 | 175 | 0 | 0 | 0 | 112.3 | L93 G94 I95 I99 I100 L101 G105 | L93-L97 HydrophobicContact CD1-CD1 4.45Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 WeakPolarHBondContact O-CB 3.09Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 PolarHBondContact O-N 2.8Å; G94-L97 PolarHBondContact O-N 3.3Å; I95-L97 VanDerWaalsContact C-N 3.35Å; I95-L97 PolarHBondContact O-N 3.39Å; L97-I99 VanDerWaalsContact C-N 3.28Å; L97-I99 PolarHBondContact O-N 3.42Å; L97-I100 PolarHBondContact O-N 3.09Å; L97-L101 HydrophobicContact CD2-CD1 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 PolarHBondContact O-N 2.9Å; L97-G105 VanDerWaalsContact O-CA 3.27Å; L97-G105 WeakPolarHBondContact O-CA 3.49Å |
| 98 | A | 90.4 | Very high | 86.4 | Confident | 7 Ų | 7 | 83 Ų | 83 | 6% | 0.058 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | G94 I95 G105 F106 C109 | G94-A98 WeakPolarHBondContact O-CB 3.39Å; G94-A98 PolarHBondContact O-N 3.38Å; I95-A98 WeakPolarHBondContact O-CB 3.32Å; I95-A98 PolarHBondContact O-N 3.39Å; A98-G105 VanDerWaalsContact CA-C 3.49Å; A98-F106 HydrophobicContact CB-CD2 4.45Å; A98-F106 HydrophobicContact CB-CG 4.49Å; A98-C109 HydrophobicContact CB-CB 3.93Å |
| 99 | I | 91.5 | Very high | 86.6 | Confident | 129 Ų | 129 | 80.5 Ų | 80.5 | 66% | 0.662 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72.7 | -47.4 | -179.3 | -64.7 | 165.8 | 0 | 0 | 0 | 111.2 | I95 F96 L97 | I95-I99 HydrophobicContact CG2-CD1 4.1Å; I95-I99 WeakPolarHBondContact O-CG1 3.41Å; I95-I99 PolarHBondContact O-N 3.45Å; I95-I99 VanDerWaalsContact O-N 3.11Å; F96-I99 PolarHBondContact O-N 3.45Å; L97-I99 VanDerWaalsContact C-N 3.28Å; L97-I99 PolarHBondContact O-N 3.42Å |
| 100 | I | 91.8 | Very high | 87 | Confident | 103 Ų | 103 | 82.6 Ų | 82.6 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77.3 | -35.5 | -171.5 | -65.3 | 177.3 | 0 | 0 | 0 | 112.6 | F96 L97 | F96-I100 HydrophobicContact CD1-CD1 3.93Å; F96-I100 HydrophobicContact CD2-CD1 4.19Å; F96-I100 HydrophobicContact CE1-CD1 3.37Å; F96-I100 HydrophobicContact CE2-CD1 3.66Å; F96-I100 HydrophobicContact CG-CD1 4.32Å; F96-I100 HydrophobicContact CZ-CD1 3.23Å; F96-I100 PolarHBondContact O-N 2.13Å; L97-I100 PolarHBondContact O-N 3.09Å |
| 101 | L | 85.8 | Confident | 87.1 | Confident | 94 Ų | 94 | 82.3 Ų | 82.3 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 28.7 | -169.9 | -64.5 | 172.3 | 0 | 0 | 0 | 113 | L97 P103 F104 G105 | L97-L101 HydrophobicContact CD2-CD1 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 PolarHBondContact O-N 2.9Å; L101-P103 CarbonylContact O-C 3.38Å; L101-F104 PolarHBondContact O-N 3.42Å; L101-G105 PolarHBondContact O-N 2.84Å |
| 102 | F | 83.6 | Confident | 87 | Confident | 153 Ų | 153 | 83.2 Ų | 83.2 | 67% | 0.671 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 122.3 | 177.5 | -170.5 | -108.3 | 0 | 0 | 0 | 110.8 | F106 | F102-F106 AromaticContact CD2-CD2 3.35Å; F102-F106 HydrophobicContact CD2-CD2 3.35Å; F102-F106 AromaticContact CD2-CE2 3.28Å; F102-F106 HydrophobicContact CD2-CE2 3.28Å; F102-F106 AromaticContact CE2-CD2 3.51Å; F102-F106 HydrophobicContact CE2-CD2 3.51Å; F102-F106 AromaticContact CE2-CE2 3.39Å; F102-F106 HydrophobicContact CE2-CE2 3.39Å; F102-F106 HydrophobicContact CE2-CZ 4.45Å |
| 103 | P | 85.3 | Confident | 87 | Confident | 76 Ų | 76 | 78 Ų | 78 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -96.5 | -17.8 | 12.3 | 36.2 | -35.9 | 0 | 0 | 0 | 116.1 | L101 G105 F106 | L101-P103 CarbonylContact O-C 3.38Å; P103-G105 PolarHBondContact O-N 3.29Å; P103-F106 PolarHBondContact O-N 3.11Å; P103-F106 VanDerWaalsContact O-N 3.14Å |
| 104 | F | 87.8 | Confident | 86.9 | Confident | 156 Ų | 156 | 79 Ų | 79 | 68% | 0.684 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59 | -31.1 | -177.1 | -66.1 | -77.7 | 0 | 0 | 0 | 113 | L101 F106 I107 C108 | L101-F104 PolarHBondContact O-N 3.42Å; F104-F106 VanDerWaalsContact C-N 3.31Å; F104-F106 PolarHBondContact O-N 3.42Å; F104-I107 PolarHBondContact O-N 3.47Å; F104-C108 PolarHBondContact O-N 2.72Å; F104-C108 VanDerWaalsContact O-N 3.14Å |
| 105 | G | 88.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.7 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L97 A98 L101 P103 C108 C109 | L97-G105 VanDerWaalsContact O-CA 3.27Å; L97-G105 WeakPolarHBondContact O-CA 3.49Å; A98-G105 VanDerWaalsContact CA-C 3.49Å; L101-G105 PolarHBondContact O-N 2.84Å; P103-G105 PolarHBondContact O-N 3.29Å; G105-C108 PolarHBondContact O-N 3.48Å; G105-C109 VanDerWaalsContact O-CB 3.26Å; G105-C109 WeakPolarHBondContact O-CB 3.44Å; G105-C109 PolarHBondContact O-N 3.31Å |
| 106 | F | 88 | Confident | 86.2 | Confident | 93 Ų | 93 | 86.8 Ų | 86.8 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 177.9 | -86.5 | -87.4 | 0 | 0 | 0 | 111.7 | A98 F102 P103 F104 C108 C109 F110 | A98-F106 HydrophobicContact CB-CD2 4.45Å; A98-F106 HydrophobicContact CB-CG 4.49Å; F102-F106 AromaticContact CD2-CD2 3.35Å; F102-F106 HydrophobicContact CD2-CD2 3.35Å; F102-F106 AromaticContact CD2-CE2 3.28Å; F102-F106 HydrophobicContact CD2-CE2 3.28Å; F102-F106 AromaticContact CE2-CD2 3.51Å; F102-F106 HydrophobicContact CE2-CD2 3.51Å; F102-F106 AromaticContact CE2-CE2 3.39Å; F102-F106 HydrophobicContact CE2-CE2 3.39Å; F102-F106 HydrophobicContact CE2-CZ 4.45Å; P103-F106 PolarHBondContact O-N 3.11Å; P103-F106 VanDerWaalsContact O-N 3.14Å; F104-F106 VanDerWaalsContact C-N 3.31Å; F104-F106 PolarHBondContact O-N 3.42Å; F106-C108 VanDerWaalsContact C-N 3.33Å; F106-C108 PolarHBondContact O-N 3.3Å; F106-C109 WeakPolarHBondContact O-CB 3.18Å; F106-C109 PolarHBondContact O-N 2.82Å; F106-F110 HydrophobicContact CB-CE2 4.4Å; F106-F110 HydrophobicContact CD1-CE2 4.25Å; F106-F110 WeakPolarHBondContact O-CD2 3.3Å; F106-F110 PolarHBondContact O-N 2.98Å |
| 107 | I | 88.6 | Confident | 85.8 | Confident | 120 Ų | 120 | 81.6 Ų | 81.6 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 176.7 | -58.7 | 171.8 | 0 | 0 | 0 | 109.8 | F104 C109 F110 A111 | F104-I107 PolarHBondContact O-N 3.47Å; I107-C109 VanDerWaalsContact C-N 3.34Å; I107-C109 PolarHBondContact O-N 3.47Å; I107-F110 PolarHBondContact O-N 3.41Å; I107-A111 PolarHBondContact O-N 3.12Å |
| 108 | C | 84.9 | Confident | 85.5 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.5 | -172.8 | 0 | 0 | 0 | 0 | 112 | F104 G105 F106 F110 A111 L112 | F104-C108 PolarHBondContact O-N 2.72Å; F104-C108 VanDerWaalsContact O-N 3.14Å; G105-C108 PolarHBondContact O-N 3.48Å; F106-C108 VanDerWaalsContact C-N 3.33Å; F106-C108 PolarHBondContact O-N 3.3Å; C108-F110 PolarHBondContact O-N 3.4Å; C108-A111 WeakPolarHBondContact O-CB 3.48Å; C108-A111 PolarHBondContact O-N 3.45Å; C108-L112 WeakPolarHBondContact O-CG 3.48Å; C108-L112 PolarHBondContact O-N 2.94Å |
| 109 | C | 86 | Confident | 84.9 | Confident | 9 Ų | 9 | 88.3 Ų | 88.3 | 6% | 0.061 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | F90 G94 A98 G105 F106 I107 A111 L112 R113 | F90-C109 WeakPolarHBondContact CD1-SG 3.49Å; G94-C109 VanDerWaalsContact C-SG 3.56Å; G94-C109 WeakPolarHBondContact O-CB 3.11Å; G94-C109 PolarHBondContact O-SG 2.74Å; A98-C109 HydrophobicContact CB-CB 3.93Å; G105-C109 VanDerWaalsContact O-CB 3.26Å; G105-C109 WeakPolarHBondContact O-CB 3.44Å; G105-C109 PolarHBondContact O-N 3.31Å; F106-C109 WeakPolarHBondContact O-CB 3.18Å; F106-C109 PolarHBondContact O-N 2.82Å; I107-C109 VanDerWaalsContact C-N 3.34Å; I107-C109 PolarHBondContact O-N 3.47Å; C109-A111 VanDerWaalsContact C-N 3.32Å; C109-A111 PolarHBondContact O-N 3.13Å; C109-L112 PolarHBondContact O-N 3.04Å; C109-R113 PolarHBondContact O-N 2.89Å; C109-R113 VanDerWaalsContact O-N 3.1Å |
| 110 | F | 84.9 | Confident | 84.5 | Confident | 104 Ų | 104 | 84.2 Ų | 84.2 | 46% | 0.456 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -32.4 | 174.6 | -75.6 | -61.4 | 0 | 0 | 0 | 112.9 | F90 F106 I107 C108 R113 | F90-F110 HydrophobicContact CE1-CD1 4.23Å; F90-F110 HydrophobicContact CE1-CE1 4.27Å; F90-F110 HydrophobicContact CZ-CE1 4.32Å; F106-F110 HydrophobicContact CB-CE2 4.4Å; F106-F110 HydrophobicContact CD1-CE2 4.25Å; F106-F110 WeakPolarHBondContact O-CD2 3.3Å; F106-F110 PolarHBondContact O-N 2.98Å; I107-F110 PolarHBondContact O-N 3.41Å; C108-F110 PolarHBondContact O-N 3.4Å; F110-R113 WeakPolarHBondContact O-CB 3.48Å |
| 111 | A | 83.5 | Confident | 83.9 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 68% | 0.678 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -71.1 | -30.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | I107 C108 C109 | I107-A111 PolarHBondContact O-N 3.12Å; C108-A111 WeakPolarHBondContact O-CB 3.48Å; C108-A111 PolarHBondContact O-N 3.45Å; C109-A111 VanDerWaalsContact C-N 3.32Å; C109-A111 PolarHBondContact O-N 3.13Å |
| 112 | L | 82 | Confident | 83.6 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -89.3 | -6 | 177.9 | -65.9 | 172.5 | 0 | 0 | 0 | 113.6 | C108 C109 K114 | C108-L112 WeakPolarHBondContact O-CG 3.48Å; C108-L112 PolarHBondContact O-N 2.94Å; C109-L112 PolarHBondContact O-N 3.04Å; L112-K114 PolarHBondContact O-N 2.88Å |
| 113 | R | 83.6 | Confident | 83.3 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | trans | -64.5 | 126.9 | 179.3 | -176.2 | 175.4 | 69.4 | 168.8 | -17 | 109.8 | D88 F90 C109 F110 | D88-R113 HydrophobicContact CB-CG 3.84Å; D88-R113 WeakPolarHBondContact OD1-CD 3.41Å; D88-R113 IonicContact OD1-CZ 3.77Å; D88-R113 IonicContact OD1-NE 3.41Å; D88-R113 PolarHBondContact OD1-NE 3.33Å; D88-R113 IonicContact OD1-NH1 3.87Å; D88-R113 IonicContact OD2-CZ 3.43Å; D88-R113 IonicContact OD2-NE 3.67Å; D88-R113 IonicContact OD2-NH1 2.77Å; D88-R113 PolarHBondContact OD2-NH1 2.74Å; F90-R113 HydrophobicContact CD1-CB 4.21Å; F90-R113 HydrophobicContact CD1-CG 4.13Å; F90-R113 HydrophobicContact CE1-CB 4.17Å; F90-R113 VanDerWaalsContact CE1-CD 3.48Å; F90-R113 HydrophobicContact CE1-CG 3.92Å; F90-R113 HydrophobicContact CZ-CG 4.28Å; C109-R113 PolarHBondContact O-N 2.89Å; C109-R113 VanDerWaalsContact O-N 3.1Å; F110-R113 WeakPolarHBondContact O-CB 3.48Å | ||
| 114 | K | 82.9 | Confident | 82.8 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136 | 175.8 | -68.6 | 179.6 | -177.7 | 169.5 | 0 | 109.5 | C89 L112 | C89-K114 PolarHBondContact N-O 3.26Å; C89-K114 PolarHBondContact O-N 2.86Å; L112-K114 PolarHBondContact O-N 2.88Å |
| 115 | R | 80.2 | Confident | 82 | Confident | 115 Ų | 115 | 73.1 Ų | 73.1 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.4 | 178.1 | -83.7 | 175.1 | 179.6 | -172.3 | 6.7 | 109.4 | L86 E87 D88 T123 F124 | L86-R115 HydrophobicContact CD1-CB 4.07Å; L86-R115 HydrophobicContact CD2-CB 3.61Å; L86-R115 HydrophobicContact CD2-CG 4.01Å; L86-R115 HydrophobicContact CG-CB 3.64Å; L86-R115 HydrophobicContact CG-CG 4.15Å; E87-R115 CarbonylContact O-C 3.48Å; E87-R115 WeakPolarHBondContact O-CA 3.41Å; D88-R115 WeakPolarHBondContact OD1-CG 3.31Å; D88-R115 IonicContact OD1-NE 3.38Å; D88-R115 PolarHBondContact OD1-NE 3.21Å; R115-T123 CarbonylContact O-C 3.5Å; R115-T123 WeakPolarHBondContact O-CA 3.42Å; R115-F124 HydrophobicContact CB-CB 4.2Å; R115-F124 WeakPolarHBondContact CB-O 3.35Å; R115-F124 PolarHBondContact N-O 3.09Å; R115-F124 PolarHBondContact O-N 3.4Å |
| 116 | R | 81.6 | Confident | 81.7 | Confident | 126 Ų | 126 | 76.8 Ų | 76.8 | 48% | 0.475 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.9 | 178.4 | -172.2 | 173.7 | -175.4 | 179.6 | -2.2 | 110.2 | E87 A122 T123 | E87-R116 PolarHBondContact N-O 2.73Å; E87-R116 PolarHBondContact O-N 3.39Å; R116-A122 WeakPolarHBondContact CA-O 3.14Å; R116-T123 HydrophobicContact CB-CG2 4.06Å; R116-T123 HydrophobicContact CG-CG2 3.73Å |
| 117 | C | 83.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 43% | 0.428 | C | S | . | . | trans | -99.1 | 126.9 | 171.4 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | C78 L86 N119 C120 G121 A122 | C78-C117 HydrophobicContact CB-CB 3.55Å; C78-C117 WeakPolarHBondContact CB-SG 3.27Å; L86-C117 HydrophobicContact CD1-CB 3.99Å; C117-N119 VanDerWaalsContact C-N 3.26Å; C117-N119 PolarHBondContact O-N 2.87Å; C117-N119 PolarHBondContact SG-N 3.35Å; C117-N119 VanDerWaalsContact SG-N 3.45Å; C117-C120 WeakPolarHBondContact CB-SG 3.35Å; C117-C120 PolarHBondContact SG-SG 3.09Å; C117-G121 WeakPolarHBondContact O-CA 3.45Å; C117-G121 PolarHBondContact O-N 3.39Å; C117-A122 PolarHBondContact N-O 3.38Å | ||
| 118 | P | 80.8 | Confident | 81 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -18.6 | 179.9 | 29.8 | -35.9 | 0 | 0 | 0 | 113.1 | V85 E87 | V85-P118 WeakPolarHBondContact O-CD 3.45Å; E87-P118 WeakPolarHBondContact OE2-CG 3.15Å |
| 119 | N | 78.2 | Confident | 80.7 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -46.2 | -177.6 | -162.1 | -22.7 | 0 | 0 | 0 | 112.2 | V83 C117 | V83-N119 WeakPolarHBondContact CG2-ND2 3.34Å; C117-N119 VanDerWaalsContact C-N 3.26Å; C117-N119 PolarHBondContact O-N 2.87Å; C117-N119 PolarHBondContact SG-N 3.35Å; C117-N119 VanDerWaalsContact SG-N 3.45Å |
| 120 | C | 83.2 | Confident | 80.4 | Confident | 43 Ų | 43 | 79 Ų | 79 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -14.2 | -179.1 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | C78 V80 C81 C117 A122 | C78-C120 WeakPolarHBondContact CB-SG 3.48Å; C78-C120 WeakPolarHBondContact SG-CB 3.04Å; C78-C120 CovalentContact SG-SG 2.13Å; C78-C120 PolarHBondContact SG-SG 2.71Å; V80-C120 HydrophobicContact CB-CB 4.41Å; V80-C120 HydrophobicContact CG1-CB 4.31Å; C81-C120 HydrophobicContact CB-CB 3.6Å; C81-C120 WeakPolarHBondContact SG-CB 3.38Å; C81-C120 VanDerWaalsContact SG-SG 3.63Å; C117-C120 WeakPolarHBondContact CB-SG 3.35Å; C117-C120 PolarHBondContact SG-SG 3.09Å; C120-A122 HydrophobicContact CB-CB 4.45Å; C120-A122 PolarHBondContact O-N 3.15Å; C120-A122 VanDerWaalsContact O-N 3.11Å; C120-A122 WeakPolarHBondContact SG-CB 3.29Å |
| 121 | G | 78.5 | Confident | 80.1 | Confident | 34 Ų | 34 | 77.3 Ų | 77.3 | 35% | 0.351 | 44% | 0.444 | S | S | . | . | trans | 70.8 | -6.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C117 T123 | C117-G121 WeakPolarHBondContact O-CA 3.45Å; C117-G121 PolarHBondContact O-N 3.39Å; G121-T123 PolarHBondContact O-N 3.35Å | ||
| 122 | A | 80 | Confident | 79.9 | Confident | 21 Ų | 21 | 77 Ų | 77 | 17% | 0.174 | 43% | 0.427 | C | S | . | . | trans | -63.9 | 131.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V80 R116 C117 C120 F124 | V80-A122 HydrophobicContact CB-CB 4.19Å; V80-A122 HydrophobicContact CG2-CB 3.86Å; R116-A122 WeakPolarHBondContact CA-O 3.14Å; C117-A122 PolarHBondContact N-O 3.38Å; C120-A122 HydrophobicContact CB-CB 4.45Å; C120-A122 PolarHBondContact O-N 3.15Å; C120-A122 VanDerWaalsContact O-N 3.11Å; C120-A122 WeakPolarHBondContact SG-CB 3.29Å; A122-F124 HydrophobicContact CB-CE2 3.67Å; A122-F124 HydrophobicContact CB-CZ 3.61Å | ||
| 123 | T | 78.2 | Confident | 79.7 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 57% | 0.571 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.9 | 174.7 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | R115 R116 G121 | R115-T123 CarbonylContact O-C 3.5Å; R115-T123 WeakPolarHBondContact O-CA 3.42Å; R116-T123 HydrophobicContact CB-CG2 4.06Å; R116-T123 HydrophobicContact CG-CG2 3.73Å; G121-T123 PolarHBondContact O-N 3.35Å |
| 124 | F | 74 | Confident | 79.4 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 26% | 0.259 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.4 | 173 | -52.1 | -84.5 | 0 | 0 | 0 | 107.2 | P79 V80 L86 R115 A122 | P79-F124 HydrophobicContact CG-CD1 4.07Å; P79-F124 HydrophobicContact CG-CE1 3.26Å; P79-F124 HydrophobicContact CG-CE2 3.96Å; P79-F124 HydrophobicContact CG-CZ 3.21Å; V80-F124 HydrophobicContact CG2-CZ 3.95Å; L86-F124 HydrophobicContact CD1-CD2 3.45Å; L86-F124 VanDerWaalsContact CD1-CD2 3.45Å; L86-F124 HydrophobicContact CD1-CE2 3.8Å; L86-F124 HydrophobicContact CD2-CD2 3.99Å; L86-F124 HydrophobicContact CG-CD2 4.39Å; R115-F124 HydrophobicContact CB-CB 4.2Å; R115-F124 WeakPolarHBondContact CB-O 3.35Å; R115-F124 PolarHBondContact N-O 3.09Å; R115-F124 PolarHBondContact O-N 3.4Å; A122-F124 HydrophobicContact CB-CE2 3.67Å; A122-F124 HydrophobicContact CB-CZ 3.61Å |
| 125 | A | 72 | Confident | 79.1 | Confident | 143 Ų | 143 | 75.1 Ų | 75.1 | 100% | 1.182 | 44% | 0.442 | S | S | * | . | trans | -85.9 | 0 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 125 of 125 residues in 742.2 ms
(Link to these results)