| 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 | 43.9 | Very low | 44.7 | Very low | 247 Ų | 247 | 156.2 Ų | 156.2 | 100% | 1.217 | 84% | 0.844 | S | S | * | * | 0 | 94.1 | 0 | -177.8 | 174.7 | -171 | 0 | 0 | 105.8 | |||||
| 2 | E | 46.1 | Very low | 44.8 | Very low | 191 Ų | 191 | 155.3 Ų | 155.3 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -160.1 | 99.9 | 172.1 | -159.7 | 168.4 | 103.5 | 0 | 0 | 106.6 | ||||
| 3 | E | 47 | Very low | 45.2 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -127.1 | 116.8 | 150.5 | -106.3 | -132.6 | 93.4 | 0 | 0 | 105.2 | A5 | E3-A5 PolarHBondContact O-N 3.24Š| ||
| 4 | A | 44.2 | Very low | 45.6 | Very low | 86 Ų | 86 | 154.7 Ų | 154.7 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -55.2 | 123.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | S6 | A4-S6 PolarHBondContact O-N 3.31Å; A4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | A | 45.8 | Very low | 45.8 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 60% | 0.603 | 81% | 0.814 | S | S | * | * | trans | -43.3 | 121.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | E3 Q7 | E3-A5 PolarHBondContact O-N 3.24Å; A5-Q7 HydrophobicContact CB-CG 4.22Å; A5-Q7 PolarHBondContact O-N 2.67Å | ||
| 6 | S | 44.9 | Very low | 46.1 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 79.9 | 160.4 | -50.2 | 0 | 0 | 0 | 0 | 107.6 | A4 S8 | A4-S6 PolarHBondContact O-N 3.31Å; A4-S6 VanDerWaalsContact O-N 3.1Å; S6-S8 PolarHBondContact O-N 3.4Å | ||
| 7 | Q | 42.4 | Very low | 46.4 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 115.9 | 179.2 | -84.8 | -179.8 | 8.4 | 0 | 0 | 107.3 | A5 | A5-Q7 HydrophobicContact CB-CG 4.22Å; A5-Q7 PolarHBondContact O-N 2.67Å | ||
| 8 | S | 41.1 | Very low | 46.9 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | 66.3 | 67.4 | 121.7 | -175 | 0 | 0 | 0 | 0 | 115.8 | S6 | S6-S8 PolarHBondContact O-N 3.4Š| |||
| 9 | L | 46.4 | Very low | 47.3 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -124.8 | -10.6 | 159 | -160.2 | 127.8 | 0 | 0 | 0 | 114.3 | ||
| 10 | E | 45.1 | Very low | 48.2 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -97.9 | -19.1 | -172.9 | -43.8 | -165 | 110.6 | 0 | 0 | 112.7 | ||
| 11 | E | 45.2 | Very low | 49.4 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -99.6 | -8.5 | -169.9 | -151.8 | 161.7 | 82.8 | 0 | 0 | 114.5 | ||
| 12 | D | 45.5 | Very low | 51 | Low | 145 Ų | 145 | 128 Ų | 128 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 8.2 | 177.6 | -165.9 | -113.4 | 0 | 0 | 0 | 113.6 | ||
| 13 | F | 50.4 | Low | 52.6 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 47% | 0.469 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.4 | 8.6 | -173.7 | -134.6 | -97.3 | 0 | 0 | 0 | 115.4 | T18 N27 | F13-T18 HydrophobicContact CD1-CG2 4.21Å; F13-T18 HydrophobicContact CE1-CG2 3.68Å; F13-T18 HydrophobicContact CZ-CG2 3.93Å; F13-N27 VanDerWaalsContact CE1-OD1 3.27Å; F13-N27 WeakPolarHBondContact CE1-OD1 3.29Å; F13-N27 WeakPolarHBondContact CZ-OD1 3.46Å |
| 14 | E | 50.5 | Low | 54.3 | Low | 196 Ų | 196 | 116.5 Ų | 116.5 | 92% | 0.916 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -101.8 | 4.3 | 177.1 | -90.9 | -180 | 75.7 | 0 | 0 | 114.4 | ||
| 15 | G | 49.1 | Very low | 56.2 | Low | 74 Ų | 74 | 117.2 Ų | 117.2 | 76% | 0.763 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -106.9 | -17 | -168.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 16 | Q | 49.9 | Very low | 58 | Low | 159 Ų | 159 | 117.5 Ų | 117.5 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -142.7 | 83.7 | -164.2 | -166.6 | 176.5 | -9.4 | 0 | 0 | 114.4 | T18 | Q16-T18 WeakPolarHBondContact O-CG2 3.12Å; Q16-T18 PolarHBondContact O-N 3.11Å |
| 17 | A | 51.7 | Low | 59.7 | Low | 79 Ų | 79 | 112.4 Ų | 112.4 | 65% | 0.653 | 62% | 0.619 | S | S | * | * | trans | 30.3 | 53.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H19 | A17-H19 PolarHBondContact O-N 2.79Š| ||
| 18 | T | 54.1 | Low | 61.6 | Low | 28 Ų | 28 | 109.9 Ų | 109.9 | 17% | 0.172 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 6.6 | -172 | 52.2 | 0 | 0 | 0 | 0 | 113 | F13 Q16 G24 | F13-T18 HydrophobicContact CD1-CG2 4.21Å; F13-T18 HydrophobicContact CE1-CG2 3.68Å; F13-T18 HydrophobicContact CZ-CG2 3.93Å; Q16-T18 WeakPolarHBondContact O-CG2 3.12Å; Q16-T18 PolarHBondContact O-N 3.11Å; T18-G24 WeakPolarHBondContact O-CA 3.04Å |
| 19 | H | 56 | Low | 63.7 | Low | 162 Ų | 162 | 113.9 Ų | 113.9 | 75% | 0.75 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -2.4 | -172.5 | -68.5 | -107.7 | 0 | 0 | 0 | 113.4 | A17 | A17-H19 PolarHBondContact O-N 2.79Š|
| 20 | T | 65.1 | Low | 65.4 | Low | 108 Ų | 108 | 113.6 Ų | 113.6 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -140 | 148.4 | -179.4 | 52.2 | 0 | 0 | 0 | 0 | 112 | ||
| 21 | G | 73.7 | Confident | 66.8 | Low | 49 Ų | 49 | 110.4 Ų | 110.4 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | 71.5 | -167 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K23 G24 V25 | G21-K23 PolarHBondContact O-N 3.14Å; G21-K23 VanDerWaalsContact O-N 3.17Å; G21-G24 PolarHBondContact O-N 3.11Å; G21-V25 PolarHBondContact O-N 3.19Å |
| 22 | P | 77 | Confident | 68.1 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.8 | -29.9 | -170 | -25.3 | 34.5 | 0 | 0 | 0 | 114.4 | V25 I26 | P22-V25 PolarHBondContact O-N 2.91Å; P22-I26 WeakPolarHBondContact O-CG1 2.95Å; P22-I26 PolarHBondContact O-N 3.02Å |
| 23 | K | 79.7 | Confident | 69.7 | Low | 132 Ų | 132 | 107.4 Ų | 107.4 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.2 | -33.1 | 177.8 | -69.6 | -67.6 | -62 | -172.8 | 0 | 112.3 | G21 I26 N27 | G21-K23 PolarHBondContact O-N 3.14Å; G21-K23 VanDerWaalsContact O-N 3.17Å; K23-I26 PolarHBondContact O-N 2.89Å; K23-N27 WeakPolarHBondContact O-CB 3.32Å; K23-N27 PolarHBondContact O-N 3.12Å |
| 24 | G | 82.9 | Confident | 70.3 | Confident | 13 Ų | 13 | 107.2 Ų | 107.2 | 13% | 0.134 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -67.8 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T18 G21 I26 N27 D28 | T18-G24 WeakPolarHBondContact O-CA 3.04Å; G21-G24 PolarHBondContact O-N 3.11Å; G24-I26 PolarHBondContact O-N 3.24Å; G24-N27 WeakPolarHBondContact O-CB 3.4Å; G24-N27 PolarHBondContact O-N 3Å; G24-D28 WeakPolarHBondContact O-CB 3.43Å; G24-D28 PolarHBondContact O-N 2.8Å |
| 25 | V | 84.8 | Confident | 70.5 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -41.4 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | G21 P22 N27 D28 W29 | G21-V25 PolarHBondContact O-N 3.19Å; P22-V25 PolarHBondContact O-N 2.91Å; V25-N27 VanDerWaalsContact C-N 3.29Å; V25-N27 PolarHBondContact O-N 2.71Å; V25-D28 PolarHBondContact O-N 3.22Å; V25-W29 PolarHBondContact O-N 3.41Å |
| 26 | I | 82.8 | Confident | 70.8 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 41% | 0.41 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65 | -37.7 | 175.7 | -64.9 | 165.5 | 0 | 0 | 0 | 110.7 | P22 K23 G24 R30 | P22-I26 WeakPolarHBondContact O-CG1 2.95Å; P22-I26 PolarHBondContact O-N 3.02Å; K23-I26 PolarHBondContact O-N 2.89Å; G24-I26 PolarHBondContact O-N 3.24Å; I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 3.19Å |
| 27 | N | 80.3 | Confident | 70.9 | Confident | 23 Ų | 23 | 107 Ų | 107 | 12% | 0.123 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -65.7 | -44.5 | 176 | -170.7 | 47.4 | 0 | 0 | 0 | 111.8 | F13 K23 G24 V25 W29 R30 K31 | F13-N27 VanDerWaalsContact CE1-OD1 3.27Å; F13-N27 WeakPolarHBondContact CE1-OD1 3.29Å; F13-N27 WeakPolarHBondContact CZ-OD1 3.46Å; K23-N27 WeakPolarHBondContact O-CB 3.32Å; K23-N27 PolarHBondContact O-N 3.12Å; G24-N27 WeakPolarHBondContact O-CB 3.4Å; G24-N27 PolarHBondContact O-N 3Å; V25-N27 VanDerWaalsContact C-N 3.29Å; V25-N27 PolarHBondContact O-N 2.71Å; N27-W29 PolarHBondContact O-N 2.94Å; N27-R30 PolarHBondContact O-N 2.96Å; N27-K31 PolarHBondContact O-N 3.1Å |
| 28 | D | 82.7 | Confident | 71 | Confident | 116 Ų | 116 | 107.4 Ų | 107.4 | 62% | 0.62 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 177.6 | -159.5 | -101.1 | 0 | 0 | 0 | 111.7 | G24 V25 K31 F32 | G24-D28 WeakPolarHBondContact O-CB 3.43Å; G24-D28 PolarHBondContact O-N 2.8Å; V25-D28 PolarHBondContact O-N 3.22Å; D28-K31 PolarHBondContact O-N 3.01Å; D28-F32 VanDerWaalsContact O-CB 3.31Å; D28-F32 WeakPolarHBondContact O-CB 3.23Å; D28-F32 PolarHBondContact O-N 2.74Å |
| 29 | W | 85.6 | Confident | 71 | Confident | 183 Ų | 183 | 108.3 Ų | 108.3 | 69% | 0.693 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.8 | -50 | 172.2 | -170.9 | -36.9 | 0 | 0 | 0 | 111.3 | V25 N27 K31 F32 K33 | V25-W29 PolarHBondContact O-N 3.41Å; N27-W29 PolarHBondContact O-N 2.94Å; W29-K31 VanDerWaalsContact C-N 3.3Å; W29-K31 PolarHBondContact O-N 3.37Å; W29-F32 WeakPolarHBondContact O-CB 3.46Å; W29-F32 PolarHBondContact O-N 3.19Å; W29-K33 VanDerWaalsContact CD1-CG 3.49Å; W29-K33 PolarHBondContact O-N 3.27Å |
| 30 | R | 81.6 | Confident | 70.8 | Confident | 152 Ų | 152 | 106.5 Ų | 106.5 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.1 | -43.9 | 179.5 | -75.3 | 175.7 | 179.8 | -168.4 | -2.8 | 111.3 | I26 N27 K33 L34 | I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 3.19Å; N27-R30 PolarHBondContact O-N 2.96Å; R30-K33 PolarHBondContact O-N 2.94Å; R30-L34 WeakPolarHBondContact O-CB 3.42Å; R30-L34 PolarHBondContact O-N 3.01Å |
| 31 | K | 73.6 | Confident | 70.2 | Confident | 120 Ų | 120 | 106.9 Ų | 106.9 | 52% | 0.522 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.3 | -48.5 | 173.4 | -77.7 | -167.1 | 161.8 | -164.3 | 0 | 112.3 | N27 D28 W29 K33 L34 E35 | N27-K31 PolarHBondContact O-N 3.1Å; D28-K31 PolarHBondContact O-N 3.01Å; W29-K31 VanDerWaalsContact C-N 3.3Å; W29-K31 PolarHBondContact O-N 3.37Å; K31-K33 PolarHBondContact O-N 3.1Å; K31-L34 PolarHBondContact O-N 3.38Å; K31-E35 WeakPolarHBondContact O-CB 3.49Å; K31-E35 PolarHBondContact O-N 2.92Å |
| 32 | F | 74 | Confident | 69.4 | Low | 146 Ų | 146 | 106.1 Ų | 106.1 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.3 | -39.2 | 176.6 | 177.6 | -99.4 | 0 | 0 | 0 | 112.2 | D28 W29 S36 | D28-F32 VanDerWaalsContact O-CB 3.31Å; D28-F32 WeakPolarHBondContact O-CB 3.23Å; D28-F32 PolarHBondContact O-N 2.74Å; W29-F32 WeakPolarHBondContact O-CB 3.46Å; W29-F32 PolarHBondContact O-N 3.19Å; F32-S36 PolarHBondContact O-OG 3.38Å |
| 33 | K | 79.2 | Confident | 68.7 | Low | 117 Ų | 117 | 104 Ų | 104 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.8 | -39.7 | 177.9 | -74.9 | -65.7 | -62.4 | 167.9 | 0 | 113.7 | W29 R30 K31 | W29-K33 VanDerWaalsContact CD1-CG 3.49Å; W29-K33 PolarHBondContact O-N 3.27Å; R30-K33 PolarHBondContact O-N 2.94Å; K31-K33 PolarHBondContact O-N 3.1Å |
| 34 | L | 61.5 | Low | 68 | Low | 103 Ų | 103 | 103 Ų | 103 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.1 | -47.2 | 177.9 | -104.4 | 92 | 0 | 0 | 0 | 111.5 | R30 K31 S36 E37 D38 | R30-L34 WeakPolarHBondContact O-CB 3.42Å; R30-L34 PolarHBondContact O-N 3.01Å; K31-L34 PolarHBondContact O-N 3.38Å; L34-S36 PolarHBondContact O-N 3.37Å; L34-E37 PolarHBondContact O-N 3.19Å; L34-D38 VanDerWaalsContact CA-OD2 3.3Å; L34-D38 WeakPolarHBondContact CA-OD2 3.42Å; L34-D38 WeakPolarHBondContact CB-OD2 3.2Å; L34-D38 VanDerWaalsContact CD2-OD2 3.23Å; L34-D38 WeakPolarHBondContact CD2-OD2 3.31Å; L34-D38 WeakPolarHBondContact CG-OD2 3.39Å; L34-D38 WeakPolarHBondContact O-CB 3.44Å; L34-D38 PolarHBondContact O-N 2.86Å |
| 35 | E | 56.3 | Low | 67.1 | Low | 163 Ų | 163 | 105.8 Ų | 105.8 | 76% | 0.762 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63 | -17 | -178.6 | -153.5 | 175.9 | 112.3 | 0 | 0 | 112.9 | K31 | K31-E35 WeakPolarHBondContact O-CB 3.49Å; K31-E35 PolarHBondContact O-N 2.92Å |
| 36 | S | 54.5 | Low | 66.5 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -22.5 | 172.3 | -58.5 | 0 | 0 | 0 | 0 | 114.2 | F32 L34 | F32-S36 PolarHBondContact O-OG 3.38Å; L34-S36 PolarHBondContact O-N 3.37Å |
| 37 | E | 51.3 | Low | 66 | Low | 169 Ų | 169 | 106.6 Ų | 106.6 | 79% | 0.79 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -25.3 | -172.1 | -165.9 | 125.1 | 70.7 | 0 | 0 | 112.7 | L34 G39 | L34-E37 PolarHBondContact O-N 3.19Å; E37-G39 PolarHBondContact O-N 2.88Å; E37-G39 VanDerWaalsContact O-N 3.09Å |
| 38 | D | 53.8 | Low | 65.6 | Low | 89 Ų | 89 | 110 Ų | 110 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | trans | -76.8 | 99.2 | 175.8 | -70.3 | -75.9 | 0 | 0 | 0 | 110.2 | L34 D40 | L34-D38 VanDerWaalsContact CA-OD2 3.3Å; L34-D38 WeakPolarHBondContact CA-OD2 3.42Å; L34-D38 WeakPolarHBondContact CB-OD2 3.2Å; L34-D38 VanDerWaalsContact CD2-OD2 3.23Å; L34-D38 WeakPolarHBondContact CD2-OD2 3.31Å; L34-D38 WeakPolarHBondContact CG-OD2 3.39Å; L34-D38 WeakPolarHBondContact O-CB 3.44Å; L34-D38 PolarHBondContact O-N 2.86Å; D38-D40 PolarHBondContact O-N 3.25Å | ||
| 39 | G | 54 | Low | 65.5 | Low | 46 Ų | 46 | 109.2 Ų | 109.2 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -62.1 | 34.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E37 I42 | E37-G39 PolarHBondContact O-N 2.88Å; E37-G39 VanDerWaalsContact O-N 3.09Å; G39-I42 WeakPolarHBondContact O-CB 3.2Å; G39-I42 VanDerWaalsContact O-CG1 3.23Å; G39-I42 WeakPolarHBondContact O-CG1 3.48Å |
| 40 | D | 52.2 | Low | 65 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -86.1 | -19.9 | 171.8 | -157.5 | -117.6 | 0 | 0 | 0 | 113.2 | D38 I42 K47 | D38-D40 PolarHBondContact O-N 3.25Å; D40-I42 PolarHBondContact O-N 3.25Å; D40-K47 IonicContact OD2-NZ 3.05Å; D40-K47 PolarHBondContact OD2-NZ 3.33Å |
| 41 | S | 53.8 | Low | 64.9 | Low | 115 Ų | 115 | 104.6 Ų | 104.6 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -85 | 25.9 | 165.7 | -155.9 | 0 | 0 | 0 | 0 | 113 | P43 | S41-P43 WeakPolarHBondContact O-CD 3.39Š|
| 42 | I | 55.6 | Low | 65 | Low | 33 Ų | 33 | 104.8 Ų | 104.8 | 17% | 0.169 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -86.6 | 107.5 | 168.1 | -60 | -66.5 | 0 | 0 | 0 | 105.7 | G39 D40 K46 K47 | G39-I42 WeakPolarHBondContact O-CB 3.2Å; G39-I42 VanDerWaalsContact O-CG1 3.23Å; G39-I42 WeakPolarHBondContact O-CG1 3.48Å; D40-I42 PolarHBondContact O-N 3.25Å; I42-K46 HydrophobicContact CD1-CD 3.75Å; I42-K46 HydrophobicContact CD1-CG 4.49Å; I42-K46 VanDerWaalsContact CD1-NZ 3.3Å; I42-K46 HydrophobicContact CG2-CB 3.44Å; I42-K46 VanDerWaalsContact CG2-CB 3.44Å; I42-K46 HydrophobicContact CG2-CD 3.84Å; I42-K46 HydrophobicContact CG2-CG 3.53Å; I42-K47 HydrophobicContact CB-CG 3.89Å; I42-K47 HydrophobicContact CG2-CB 4.33Å; I42-K47 HydrophobicContact CG2-CG 3.54Å; I42-K47 VanDerWaalsContact O-CE 3.26Å; I42-K47 WeakPolarHBondContact O-CE 3.33Å |
| 43 | P | 63.4 | Low | 64.9 | Low | 68 Ų | 68 | 105.1 Ų | 105.1 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | trans | -53.3 | 148.1 | 178.1 | 19.1 | -29.9 | 0 | 0 | 0 | 109.3 | S41 S45 K46 K47 | S41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-S45 CarbonylContact O-C 3.51Å; P43-S45 PolarHBondContact O-N 2.77Å; P43-K46 HydrophobicContact CG-CB 4.09Å; P43-K46 WeakPolarHBondContact O-CA 3.26Å; P43-K46 PolarHBondContact O-N 3.09Å; P43-K47 PolarHBondContact O-N 2.84Å; P43-K47 VanDerWaalsContact O-N 3.1Å | ||
| 44 | P | 63.7 | Low | 64.4 | Low | 110 Ų | 110 | 103.8 Ų | 103.8 | 71% | 0.714 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -52.9 | -29.9 | -173.6 | 19.4 | -32.3 | 0 | 0 | 0 | 112.6 | K47 E48 | P44-K47 PolarHBondContact O-N 2.8Å; P44-E48 WeakPolarHBondContact O-CB 3.08Å; P44-E48 PolarHBondContact O-N 2.97Å |
| 45 | S | 64.6 | Low | 64.3 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.6 | -43.1 | 171.6 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | P43 E48 I49 | P43-S45 CarbonylContact O-C 3.51Å; P43-S45 PolarHBondContact O-N 2.77Å; S45-E48 PolarHBondContact O-N 2.78Å; S45-I49 VanDerWaalsContact O-CG1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.13Å; S45-I49 PolarHBondContact O-N 2.76Å |
| 46 | K | 71.8 | Confident | 64.5 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.1 | -31.6 | 177.8 | -172.9 | -179 | 171.6 | -167.2 | 0 | 111.2 | I42 P43 E48 L50 | I42-K46 HydrophobicContact CD1-CD 3.75Å; I42-K46 HydrophobicContact CD1-CG 4.49Å; I42-K46 VanDerWaalsContact CD1-NZ 3.3Å; I42-K46 HydrophobicContact CG2-CB 3.44Å; I42-K46 VanDerWaalsContact CG2-CB 3.44Å; I42-K46 HydrophobicContact CG2-CD 3.84Å; I42-K46 HydrophobicContact CG2-CG 3.53Å; P43-K46 HydrophobicContact CG-CB 4.09Å; P43-K46 WeakPolarHBondContact O-CA 3.26Å; P43-K46 PolarHBondContact O-N 3.09Å; K46-E48 VanDerWaalsContact C-N 3.33Å; K46-L50 WeakPolarHBondContact O-CG 3.23Å; K46-L50 PolarHBondContact O-N 3.46Å |
| 47 | K | 72.9 | Confident | 64.7 | Low | 90 Ų | 90 | 104.6 Ų | 104.6 | 39% | 0.391 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.2 | -39.9 | 169.7 | -66.8 | -178.1 | 175.7 | 174.6 | 0 | 110.6 | D40 I42 P43 P44 R51 | D40-K47 IonicContact OD2-NZ 3.05Å; D40-K47 PolarHBondContact OD2-NZ 3.33Å; I42-K47 HydrophobicContact CB-CG 3.89Å; I42-K47 HydrophobicContact CG2-CB 4.33Å; I42-K47 HydrophobicContact CG2-CG 3.54Å; I42-K47 VanDerWaalsContact O-CE 3.26Å; I42-K47 WeakPolarHBondContact O-CE 3.33Å; P43-K47 PolarHBondContact O-N 2.84Å; P43-K47 VanDerWaalsContact O-N 3.1Å; P44-K47 PolarHBondContact O-N 2.8Å; K47-R51 PolarHBondContact O-N 3.47Å |
| 48 | E | 72 | Confident | 64.9 | Low | 94 Ų | 94 | 101.7 Ų | 101.7 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.8 | -41.7 | 177.6 | 176 | 155.2 | 90.7 | 0 | 0 | 114 | P44 S45 K46 R51 Q52 | P44-E48 WeakPolarHBondContact O-CB 3.08Å; P44-E48 PolarHBondContact O-N 2.97Å; S45-E48 PolarHBondContact O-N 2.78Å; K46-E48 VanDerWaalsContact C-N 3.33Å; E48-R51 WeakPolarHBondContact O-CB 3.43Å; E48-R51 PolarHBondContact O-N 2.98Å; E48-R51 IonicContact OE2-CZ 3.79Å; E48-R51 IonicContact OE2-NH2 2.71Å; E48-R51 PolarHBondContact OE2-NH2 3.45Å; E48-Q52 PolarHBondContact O-N 3.21Å |
| 49 | I | 79.9 | Confident | 65.1 | Low | 100 Ų | 100 | 109 Ų | 109 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -46.5 | 176 | -69.2 | 162.3 | 0 | 0 | 0 | 110.9 | S45 R51 Q52 M53 | S45-I49 VanDerWaalsContact O-CG1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.13Å; S45-I49 PolarHBondContact O-N 2.76Å; I49-R51 VanDerWaalsContact C-N 3.27Å; I49-R51 PolarHBondContact O-N 3.37Å; I49-Q52 PolarHBondContact O-N 3.21Å; I49-Q52 VanDerWaalsContact O-N 3.1Å; I49-M53 HydrophobicContact CG2-CG 4.34Å; I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.71Å |
| 50 | L | 75.4 | Confident | 64.7 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.5 | -41.2 | 177.4 | -72.6 | 172.7 | 0 | 0 | 0 | 111.4 | K46 Q52 M53 S54 | K46-L50 WeakPolarHBondContact O-CG 3.23Å; K46-L50 PolarHBondContact O-N 3.46Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 3.49Å; L50-M53 PolarHBondContact O-N 3.27Å; L50-S54 WeakPolarHBondContact O-CB 3.3Å; L50-S54 PolarHBondContact O-N 3.04Å; L50-S54 PolarHBondContact O-OG 3.21Å |
| 51 | R | 78.6 | Confident | 64.7 | Low | 134 Ų | 134 | 114 Ų | 114 | 51% | 0.506 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.9 | -37.6 | 175.1 | -169.5 | 176.2 | 70.5 | -115.6 | 1.9 | 112.7 | K47 E48 I49 S54 S55 | K47-R51 PolarHBondContact O-N 3.47Å; E48-R51 WeakPolarHBondContact O-CB 3.43Å; E48-R51 PolarHBondContact O-N 2.98Å; E48-R51 IonicContact OE2-CZ 3.79Å; E48-R51 IonicContact OE2-NH2 2.71Å; E48-R51 PolarHBondContact OE2-NH2 3.45Å; I49-R51 VanDerWaalsContact C-N 3.27Å; I49-R51 PolarHBondContact O-N 3.37Å; R51-S54 WeakPolarHBondContact CA-OG 3.43Å; R51-S54 PolarHBondContact O-OG 2.84Å; R51-S54 VanDerWaalsContact O-OG 3.12Å; R51-S55 WeakPolarHBondContact O-CB 3.17Å; R51-S55 PolarHBondContact O-N 3.36Å |
| 52 | Q | 75.8 | Confident | 64.6 | Low | 124 Ų | 124 | 113.9 Ų | 113.9 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71 | -37.3 | 175.5 | -71 | -167.5 | -9.6 | 0 | 0 | 112.5 | E48 I49 L50 S55 | E48-Q52 PolarHBondContact O-N 3.21Å; I49-Q52 PolarHBondContact O-N 3.21Å; I49-Q52 VanDerWaalsContact O-N 3.1Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 3.49Å; Q52-S55 CarbonylContact O-C 3.59Å |
| 53 | M | 71.9 | Confident | 64.4 | Low | 154 Ų | 154 | 120.7 Ų | 120.7 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.8 | -35.9 | 178.2 | -66 | -71.5 | -76 | 0 | 0 | 112.2 | I49 L50 S55 | I49-M53 HydrophobicContact CG2-CG 4.34Å; I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.71Å; L50-M53 PolarHBondContact O-N 3.27Å; M53-S55 VanDerWaalsContact C-N 3.33Å |
| 54 | S | 70.5 | Confident | 63.7 | Low | 88 Ų | 88 | 125.4 Ų | 125.4 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -20.6 | 177.5 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | L50 R51 P56 | L50-S54 WeakPolarHBondContact O-CB 3.3Å; L50-S54 PolarHBondContact O-N 3.04Å; L50-S54 PolarHBondContact O-OG 3.21Å; R51-S54 WeakPolarHBondContact CA-OG 3.43Å; R51-S54 PolarHBondContact O-OG 2.84Å; R51-S54 VanDerWaalsContact O-OG 3.12Å; S54-P56 WeakPolarHBondContact O-CD 3.42Å |
| 55 | S | 58.9 | Low | 63.2 | Low | 72 Ų | 72 | 131.6 Ų | 131.6 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | trans | -124.3 | 82.2 | -177.5 | -64 | 0 | 0 | 0 | 0 | 111.2 | R51 Q52 M53 Q57 | R51-S55 WeakPolarHBondContact O-CB 3.17Å; R51-S55 PolarHBondContact O-N 3.36Å; Q52-S55 CarbonylContact O-C 3.59Å; M53-S55 VanDerWaalsContact C-N 3.33Å; S55-Q57 PolarHBondContact O-N 2.9Å | ||
| 56 | P | 59.4 | Low | 62.8 | Low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | trans | -69.7 | 13 | 178.2 | 27 | -33.7 | 0 | 0 | 0 | 114.9 | S54 | S54-P56 WeakPolarHBondContact O-CD 3.42Š| ||
| 57 | Q | 59.6 | Low | 62.1 | Low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 68% | 0.68 | S | S | * | * | trans | -133.1 | 41.1 | -157.9 | -147.2 | 170.8 | -31.4 | 0 | 0 | 115.5 | S55 | S55-Q57 PolarHBondContact O-N 2.9Š| ||
| 58 | S | 56.2 | Low | 61.2 | Low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -148.3 | 29.9 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 59 | R | 56.2 | Low | 60.5 | Low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -139.1 | 108.9 | 160.2 | -78.1 | -174.1 | 132.9 | -161 | -3.7 | 108.3 | ||
| 60 | D | 47.3 | Very low | 59 | Low | 108 Ų | 108 | 147.4 Ų | 147.4 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | trans | 89.9 | 62.9 | 166.2 | -145.2 | -78.4 | 0 | 0 | 0 | 117.1 | S62 K63 | D60-S62 PolarHBondContact O-N 3.47Å; D60-K63 WeakPolarHBondContact OD1-CA 3.45Å; D60-K63 WeakPolarHBondContact OD1-CB 3.16Å; D60-K63 PolarHBondContact OD1-N 3.05Å | ||
| 61 | D | 51 | Low | 58 | Low | 168 Ų | 168 | 152.9 Ų | 152.9 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 40 | 155.4 | -156.2 | -94.6 | 0 | 0 | 0 | 110.4 | ||
| 62 | S | 52.7 | Low | 56.5 | Low | 113 Ų | 113 | 154.7 Ų | 154.7 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | -7.3 | -176.2 | -65.8 | 0 | 0 | 0 | 0 | 114.7 | D60 | D60-S62 PolarHBondContact O-N 3.47Š|
| 63 | K | 51.5 | Low | 55.1 | Low | 177 Ų | 177 | 156 Ų | 156 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -136.1 | 0.1 | -178 | -150.8 | 167.1 | -179.6 | 172.4 | 0 | 117.4 | D60 | D60-K63 WeakPolarHBondContact OD1-CA 3.45Å; D60-K63 WeakPolarHBondContact OD1-CB 3.16Å; D60-K63 PolarHBondContact OD1-N 3.05Å |
| 64 | E | 47.1 | Very low | 54.2 | Low | 166 Ų | 166 | 157.9 Ų | 157.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -101.6 | 28 | 173 | -147.3 | -161.4 | 80.5 | 0 | 0 | 114.1 | M66 | E64-M66 PolarHBondContact O-N 3.46Š| ||
| 65 | R | 54 | Low | 53 | Low | 240 Ų | 240 | 157.8 Ų | 157.8 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -75.1 | 32.7 | 161 | -160.4 | -170.6 | 173.3 | 175.2 | -0.8 | 111.9 | ||||
| 66 | M | 56.4 | Low | 52.8 | Low | 147 Ų | 147 | 157.4 Ų | 157.4 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -147.4 | 100.7 | -176.2 | -148.1 | 61.7 | 69.7 | 0 | 0 | 111.7 | E64 | E64-M66 PolarHBondContact O-N 3.46Š|
| 67 | S | 57.2 | Low | 52.5 | Low | 99 Ų | 99 | 161.3 Ų | 161.3 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 77.7 | 85.2 | 146 | -53.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 68 | R | 52.6 | Low | 52.4 | Low | 228 Ų | 228 | 162.2 Ų | 162.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | -152.7 | 80 | 121.6 | -102.2 | -178.5 | -59.4 | 129.5 | 2.8 | 109.5 | V70 | R68-V70 PolarHBondContact O-N 3.17Å; R68-V70 VanDerWaalsContact O-N 3.14Å | |||
| 69 | K | 58.2 | Low | 52.3 | Low | 192 Ų | 192 | 166.5 Ų | 166.5 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 108.1 | 155.4 | -171.3 | 142.2 | -175.9 | 170.2 | 0 | 105.9 | R71 | K69-R71 VanDerWaalsContact C-N 3.28Å; K69-R71 PolarHBondContact O-N 3.05Å | ||
| 70 | V | 48.3 | Very low | 51.9 | Low | 131 Ų | 131 | 159.8 Ų | 159.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -60.6 | 103.3 | 163.4 | -168.4 | 0 | 0 | 0 | 0 | 104.3 | R68 E72 | R68-V70 PolarHBondContact O-N 3.17Å; R68-V70 VanDerWaalsContact O-N 3.14Å; V70-E72 VanDerWaalsContact C-N 3.33Å; V70-E72 PolarHBondContact O-N 3.02Å; V70-E72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | R | 53.8 | Low | 52.1 | Low | 218 Ų | 218 | 162.1 Ų | 162.1 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | -70.4 | 105.1 | 165.9 | -52 | -175.3 | -142.7 | 150.6 | 4 | 102.9 | K69 E73 | K69-R71 VanDerWaalsContact C-N 3.28Å; K69-R71 PolarHBondContact O-N 3.05Å; R71-E73 PolarHBondContact O-N 3.23Å | ||
| 72 | E | 47.1 | Very low | 51.9 | Low | 172 Ų | 172 | 164.1 Ų | 164.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -66.4 | 80.2 | 162.5 | -171 | 177.1 | -152.9 | 0 | 0 | 106.1 | V70 K74 | V70-E72 VanDerWaalsContact C-N 3.33Å; V70-E72 PolarHBondContact O-N 3.02Å; V70-E72 VanDerWaalsContact O-N 3.11Å; E72-K74 VanDerWaalsContact C-N 3.34Å; E72-K74 PolarHBondContact O-N 2.81Å; E72-K74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | E | 46.4 | Very low | 51.8 | Low | 150 Ų | 150 | 166.7 Ų | 166.7 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -69 | 103 | 163.5 | -172.8 | 169.2 | 77.2 | 0 | 0 | 104.5 | R71 T75 | R71-E73 PolarHBondContact O-N 3.23Å; E73-T75 HydrophobicContact CG-CG2 4.11Å; E73-T75 PolarHBondContact O-N 3.1Å; E73-T75 PolarHBondContact O-OG1 3.3Å | ||
| 74 | K | 54 | Low | 51.9 | Low | 194 Ų | 194 | 166.1 Ų | 166.1 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -54.4 | 84 | 171 | -77.1 | -164.4 | 175.5 | -173.4 | 0 | 109 | E72 G76 | E72-K74 VanDerWaalsContact C-N 3.34Å; E72-K74 PolarHBondContact O-N 2.81Å; E72-K74 VanDerWaalsContact O-N 3.11Å; K74-G76 PolarHBondContact O-N 2.67Å | ||
| 75 | T | 45.7 | Very low | 52.1 | Low | 86 Ų | 86 | 166.1 Ų | 166.1 | 53% | 0.528 | 81% | 0.808 | S | S | . | * | trans | -89 | 90.1 | 169.7 | 44.7 | 0 | 0 | 0 | 0 | 106.3 | E73 Y77 | E73-T75 HydrophobicContact CG-CG2 4.11Å; E73-T75 PolarHBondContact O-N 3.1Å; E73-T75 PolarHBondContact O-OG1 3.3Å; T75-Y77 WeakPolarHBondContact O-CD2 3.27Å; T75-Y77 WeakPolarHBondContact O-CE2 3.13Å; T75-Y77 PolarHBondContact O-N 3.24Å | ||
| 76 | G | 54.7 | Low | 52 | Low | 65 Ų | 65 | 161.8 Ų | 161.8 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | S | Bend | 65 | 35.5 | 125.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | K74 | K74-G76 PolarHBondContact O-N 2.67Š| |
| 77 | Y | 53.2 | Low | 51.7 | Low | 202 Ų | 202 | 162.7 Ų | 162.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -138.3 | 39.9 | 168.7 | -43.2 | -79.3 | 0 | 0 | 0 | 114.3 | T75 | T75-Y77 WeakPolarHBondContact O-CD2 3.27Å; T75-Y77 WeakPolarHBondContact O-CE2 3.13Å; T75-Y77 PolarHBondContact O-N 3.24Å | ||
| 78 | E | 56.9 | Low | 51.4 | Low | 202 Ų | 202 | 166.9 Ų | 166.9 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -130 | 29.1 | 168 | -75.5 | -108 | 109.1 | 0 | 0 | 110.7 | ||
| 79 | F | 54.5 | Low | 51.3 | Low | 197 Ų | 197 | 162.6 Ų | 162.6 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -116.4 | -7.1 | 174.4 | -170.8 | -108.2 | 0 | 0 | 0 | 114 | ||
| 80 | C | 47.4 | Very low | 50.8 | Low | 100 Ų | 100 | 160.3 Ų | 160.3 | 68% | 0.676 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -146.8 | 98.2 | 172.8 | -70.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 81 | I | 52 | Low | 51 | Low | 158 Ų | 158 | 162.8 Ų | 162.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | -174 | 110.5 | 124.7 | -65.3 | -42.8 | 0 | 0 | 0 | 106.4 | |||||
| 82 | T | 45.8 | Very low | 50.7 | Low | 209 Ų | 209 | 157.7 Ų | 157.7 | 100% | 1.282 | 81% | 0.81 | S | S | * | * | trans | 43.8 | 0 | 156 | -41.3 | 0 | 0 | 0 | 0 | 120.2 |
Retrieved 82 of 82 residues in 182.5 ms
(Link to these results)