| 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 | 46.5 | Very low | 58.2 | Low | 233 Ų | 233 | 162.4 Ų | 162.4 | 100% | 1.148 | 82% | 0.818 | S | S | * | * | 0 | 114.1 | 0 | -71.6 | 174.3 | 179.2 | 0 | 0 | 108 | R3 | M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | I | 55.7 | Low | 59.5 | Low | 182 Ų | 182 | 157.8 Ų | 157.8 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | trans | -77.9 | 98.6 | -160.7 | -46.7 | 165.5 | 0 | 0 | 0 | 108.8 | ||||
| 3 | R | 54.2 | Low | 61 | Low | 242 Ų | 242 | 152.6 Ų | 152.6 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | trans | -89.8 | 120.4 | 175.6 | -66.9 | 179.9 | 177.3 | -169.1 | -0.7 | 108.4 | M1 | M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.09Å | ||
| 4 | G | 49.9 | Very low | 62.5 | Low | 81 Ų | 81 | 145.5 Ų | 145.5 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | 116.6 | 75.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 5 | A | 56.8 | Low | 63.8 | Low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -132 | 145.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 6 | K | 59.5 | Low | 65.1 | Low | 202 Ų | 202 | 144.3 Ų | 144.3 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | trans | 90.1 | 70.8 | 179.4 | -52.1 | 179.8 | 174.7 | -168.1 | 0 | 115.8 | ||||
| 7 | K | 57.1 | Low | 66.2 | Low | 211 Ų | 211 | 142.8 Ų | 142.8 | 92% | 0.917 | 72% | 0.721 | S | S | * | * | trans | -125.1 | 19.5 | 153 | -73.9 | -166.2 | -180 | -178.5 | 0 | 113.6 | ||||
| 8 | I | 60.2 | Low | 67.2 | Low | 127 Ų | 127 | 137.4 Ų | 137.4 | 65% | 0.651 | 70% | 0.701 | S | S | * | * | trans | -122 | 82.6 | 176.8 | -49.9 | 170.5 | 0 | 0 | 0 | 106.9 | ||||
| 9 | L | 63.9 | Low | 67.9 | Low | 123 Ų | 123 | 135.7 Ų | 135.7 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -135.6 | -15.4 | 170.5 | -157.8 | 68 | 0 | 0 | 0 | 113 | I13 | L9-I13 WeakPolarHBondContact O-CD1 3.41Š|
| 10 | R | 66.9 | Low | 68.5 | Low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81.3 | -35.3 | -176.1 | -41.3 | -172.6 | -166.8 | -169.2 | 2.6 | 112.3 | A14 | R10-A14 PolarHBondContact O-N 2.88Å |
| 11 | S | 69.6 | Low | 68.9 | Low | 65 Ų | 65 | 131.6 Ų | 131.6 | 46% | 0.455 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -72.1 | -34.8 | -174.8 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | L15 | S11-L15 PolarHBondContact O-N 3.23Å; S11-L15 VanDerWaalsContact O-N 3.12Å |
| 12 | E | 74.1 | Confident | 70 | Confident | 108 Ų | 108 | 126.7 Ų | 126.7 | 51% | 0.505 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.9 | -36.4 | -179 | -64.7 | 174.1 | 113.2 | 0 | 0 | 112 | K16 | E12-K16 WeakPolarHBondContact O-CG 3.36Å; E12-K16 PolarHBondContact O-N 2.83Å |
| 13 | I | 78.5 | Confident | 70.6 | Confident | 90 Ų | 90 | 124.6 Ų | 124.6 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.5 | -49.4 | 178 | -60.6 | 170.3 | 0 | 0 | 0 | 109.7 | L9 L15 K16 E17 | L9-I13 WeakPolarHBondContact O-CD1 3.41Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.39Å; I13-K16 WeakPolarHBondContact O-CB 3.21Å; I13-K16 PolarHBondContact O-N 3.1Å; I13-E17 HydrophobicContact CG2-CG 4.42Å; I13-E17 WeakPolarHBondContact O-CG 3.46Å; I13-E17 PolarHBondContact O-N 3.28Å |
| 14 | A | 82.3 | Confident | 70.9 | Confident | 53 Ų | 53 | 120.3 Ų | 120.3 | 44% | 0.438 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.7 | -35.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R10 A18 | R10-A14 PolarHBondContact O-N 2.88Å; A14-A18 WeakPolarHBondContact O-CB 3.31Å; A14-A18 PolarHBondContact O-N 3.44Å; A14-A18 VanDerWaalsContact O-N 3.12Å |
| 15 | L | 81.4 | Confident | 71.4 | Confident | 125 Ų | 125 | 121.3 Ų | 121.3 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.3 | -37.5 | 174.2 | -92.6 | 162.6 | 0 | 0 | 0 | 112.6 | S11 I13 L19 | S11-L15 PolarHBondContact O-N 3.23Å; S11-L15 VanDerWaalsContact O-N 3.12Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.39Å; L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 PolarHBondContact O-N 2.66Å; L15-L19 VanDerWaalsContact O-N 3.13Å |
| 16 | K | 85 | Confident | 71.3 | Confident | 146 Ų | 146 | 120 Ų | 120 | 64% | 0.635 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -47.3 | 177.2 | -74.7 | -175.9 | 174.3 | -159.2 | 0 | 111.9 | E12 I13 A18 L19 E20 | E12-K16 WeakPolarHBondContact O-CG 3.36Å; E12-K16 PolarHBondContact O-N 2.83Å; I13-K16 WeakPolarHBondContact O-CB 3.21Å; I13-K16 PolarHBondContact O-N 3.1Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; K16-L19 WeakPolarHBondContact O-CB 3.41Å; K16-L19 PolarHBondContact O-N 2.77Å; K16-E20 WeakPolarHBondContact O-CG 3.44Å; K16-E20 PolarHBondContact O-N 3.17Å |
| 17 | E | 84.1 | Confident | 71.2 | Confident | 120 Ų | 120 | 116.2 Ų | 116.2 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.9 | -41.4 | 178.5 | -66.6 | 173.3 | 136.2 | 0 | 0 | 111.3 | I13 L19 E20 S21 | I13-E17 HydrophobicContact CG2-CG 4.42Å; I13-E17 WeakPolarHBondContact O-CG 3.46Å; I13-E17 PolarHBondContact O-N 3.28Å; E17-L19 PolarHBondContact O-N 2.79Å; E17-E20 PolarHBondContact O-N 3.46Å; E17-S21 PolarHBondContact O-N 3.08Å; E17-S21 PolarHBondContact O-OG 3.28Å |
| 18 | A | 83.3 | Confident | 71 | Confident | 45 Ų | 45 | 110.5 Ų | 110.5 | 37% | 0.372 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.6 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A14 K16 S21 Q22 | A14-A18 WeakPolarHBondContact O-CB 3.31Å; A14-A18 PolarHBondContact O-N 3.44Å; A14-A18 VanDerWaalsContact O-N 3.12Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; A18-S21 PolarHBondContact O-OG 3.43Å; A18-Q22 WeakPolarHBondContact O-CG 3.48Å; A18-Q22 PolarHBondContact O-N 2.85Å |
| 19 | L | 81 | Confident | 70.7 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -46.7 | 176.6 | -166.7 | 106 | 0 | 0 | 0 | 111.3 | L15 K16 E17 S21 Q22 F23 | L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 PolarHBondContact O-N 2.66Å; L15-L19 VanDerWaalsContact O-N 3.13Å; K16-L19 WeakPolarHBondContact O-CB 3.41Å; K16-L19 PolarHBondContact O-N 2.77Å; E17-L19 PolarHBondContact O-N 2.79Å; L19-S21 PolarHBondContact O-N 2.76Å; L19-Q22 PolarHBondContact O-N 3.16Å; L19-F23 HydrophobicContact CD2-CE2 4.12Å; L19-F23 HydrophobicContact CG-CD2 4.44Å; L19-F23 HydrophobicContact CG-CE2 4.2Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.23Å |
| 20 | E | 79.8 | Confident | 70.2 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.5 | -45.2 | 179.1 | -71.4 | 173.3 | 112.8 | 0 | 0 | 111.5 | K16 E17 Q22 F23 E24 | K16-E20 WeakPolarHBondContact O-CG 3.44Å; K16-E20 PolarHBondContact O-N 3.17Å; E17-E20 PolarHBondContact O-N 3.46Å; E20-Q22 PolarHBondContact O-N 2.88Å; E20-F23 PolarHBondContact O-N 3.33Å; E20-F23 VanDerWaalsContact O-N 3.11Å; E20-E24 PolarHBondContact O-N 3.47Å |
| 21 | S | 76 | Confident | 69.8 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.6 | -30.6 | 178.5 | 72 | 0 | 0 | 0 | 0 | 113.7 | E17 A18 L19 N25 | E17-S21 PolarHBondContact O-N 3.08Å; E17-S21 PolarHBondContact O-OG 3.28Å; A18-S21 PolarHBondContact O-OG 3.43Å; L19-S21 PolarHBondContact O-N 2.76Å; S21-N25 PolarHBondContact O-N 3.05Å |
| 22 | Q | 70.5 | Confident | 69.3 | Low | 130 Ų | 130 | 109.7 Ų | 109.7 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.9 | -35.4 | 177.5 | -71.2 | -176.9 | 27.2 | 0 | 0 | 112.4 | A18 L19 E20 S26 | A18-Q22 WeakPolarHBondContact O-CG 3.48Å; A18-Q22 PolarHBondContact O-N 2.85Å; L19-Q22 PolarHBondContact O-N 3.16Å; E20-Q22 PolarHBondContact O-N 2.88Å; Q22-S26 WeakPolarHBondContact O-CB 3.43Å; Q22-S26 PolarHBondContact O-N 3.25Å; Q22-S26 PolarHBondContact O-OG 3.46Å |
| 23 | F | 67.4 | Low | 69.1 | Low | 138 Ų | 138 | 107.7 Ų | 107.7 | 61% | 0.605 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.4 | -40.9 | 177.5 | -87.8 | -85.2 | 0 | 0 | 0 | 111.8 | L19 E20 S26 T27 | L19-F23 HydrophobicContact CD2-CE2 4.12Å; L19-F23 HydrophobicContact CG-CD2 4.44Å; L19-F23 HydrophobicContact CG-CE2 4.2Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.23Å; E20-F23 PolarHBondContact O-N 3.33Å; E20-F23 VanDerWaalsContact O-N 3.11Å; F23-S26 PolarHBondContact O-N 3.26Å; F23-T27 PolarHBondContact O-N 2.91Å; F23-T27 VanDerWaalsContact O-N 3.11Å; F23-T27 PolarHBondContact O-OG1 3.28Å |
| 24 | E | 62.5 | Low | 69.4 | Low | 151 Ų | 151 | 104.2 Ų | 104.2 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 177.2 | -65.2 | -173.2 | 120.2 | 0 | 0 | 111.8 | E20 T27 S28 | E20-E24 PolarHBondContact O-N 3.47Å; E24-T27 PolarHBondContact O-N 3.5Å; E24-S28 PolarHBondContact O-OG 2.83Å |
| 25 | N | 59 | Low | 69.8 | Low | 103 Ų | 103 | 104.7 Ų | 104.7 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.6 | -33.5 | 177.2 | -165.9 | 73.8 | 0 | 0 | 0 | 112.3 | S21 S28 Q29 | S21-N25 PolarHBondContact O-N 3.05Å; N25-S28 PolarHBondContact O-N 3.11Å; N25-S28 PolarHBondContact O-OG 3.47Å; N25-S28 VanDerWaalsContact O-OG 3.05Å; N25-Q29 WeakPolarHBondContact O-CB 3.29Å; N25-Q29 PolarHBondContact O-N 3.04Å; N25-Q29 VanDerWaalsContact O-N 3.16Å |
| 26 | S | 55.9 | Low | 70.2 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.2 | -33.2 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | Q22 F23 S28 Q29 | Q22-S26 WeakPolarHBondContact O-CB 3.43Å; Q22-S26 PolarHBondContact O-N 3.25Å; Q22-S26 PolarHBondContact O-OG 3.46Å; F23-S26 PolarHBondContact O-N 3.26Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.21Å; S26-Q29 WeakPolarHBondContact O-CB 3.24Å; S26-Q29 PolarHBondContact O-N 3.44Å |
| 27 | T | 55.7 | Low | 70.6 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 76% | 0.755 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.6 | -33.7 | 179.3 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | F23 E24 Q29 | F23-T27 PolarHBondContact O-N 2.91Å; F23-T27 VanDerWaalsContact O-N 3.11Å; F23-T27 PolarHBondContact O-OG1 3.28Å; E24-T27 PolarHBondContact O-N 3.5Å; T27-Q29 VanDerWaalsContact C-N 3.35Å |
| 28 | S | 53.4 | Low | 71 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -83.7 | -12.8 | 175.8 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | E24 N25 S26 S30 | E24-S28 PolarHBondContact O-OG 2.83Å; N25-S28 PolarHBondContact O-N 3.11Å; N25-S28 PolarHBondContact O-OG 3.47Å; N25-S28 VanDerWaalsContact O-OG 3.05Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.21Å; S28-S30 PolarHBondContact O-N 3.49Å |
| 29 | Q | 54.4 | Low | 71.4 | Confident | 132 Ų | 132 | 103.2 Ų | 103.2 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -78.4 | 72.5 | 175.3 | -158.6 | 173.4 | 28 | 0 | 0 | 109.1 | N25 S26 T27 T31 | N25-Q29 WeakPolarHBondContact O-CB 3.29Å; N25-Q29 PolarHBondContact O-N 3.04Å; N25-Q29 VanDerWaalsContact O-N 3.16Å; S26-Q29 WeakPolarHBondContact O-CB 3.24Å; S26-Q29 PolarHBondContact O-N 3.44Å; T27-Q29 VanDerWaalsContact C-N 3.35Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 2.98Å |
| 30 | S | 54 | Low | 71.9 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 69% | 0.692 | 55% | 0.552 | S | S | * | * | trans | 0.4 | 81.7 | 159.2 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | S28 F32 | S28-S30 PolarHBondContact O-N 3.49Å; S30-F32 VanDerWaalsContact C-N 3.3Å; S30-F32 PolarHBondContact O-N 2.94Å | ||
| 31 | T | 58.1 | Low | 72.3 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 72% | 0.724 | 53% | 0.525 | S | S | * | . | trans | -59.2 | 107.7 | 173.3 | -50 | 0 | 0 | 0 | 0 | 103.3 | Q29 D33 | Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 2.98Å; T31-D33 PolarHBondContact O-N 3.38Å | ||
| 32 | F | 58.9 | Low | 72.9 | Confident | 177 Ų | 177 | 99.3 Ų | 99.3 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | trans | -69.5 | 85.5 | -173 | 178.2 | -97 | 0 | 0 | 0 | 106.4 | S30 G34 | S30-F32 VanDerWaalsContact C-N 3.3Å; S30-F32 PolarHBondContact O-N 2.94Å; F32-G34 PolarHBondContact O-N 2.56Å | ||
| 33 | D | 70 | Confident | 73.7 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 36% | 0.358 | 54% | 0.535 | S | S | . | . | trans | -81.7 | 25.6 | -170.1 | -166.4 | 52.9 | 0 | 0 | 0 | 111.4 | T31 T50 | T31-D33 PolarHBondContact O-N 3.38Å; D33-T50 HydrophobicContact CB-CG2 3.77Å; D33-T50 WeakPolarHBondContact O-CB 3.44Å; D33-T50 WeakPolarHBondContact O-CG2 3.36Å; D33-T50 PolarHBondContact O-OG1 3.35Å; D33-T50 WeakPolarHBondContact OD2-CB 3.41Å; D33-T50 PolarHBondContact OD2-OG1 3.12Å | ||
| 34 | G | 84.6 | Confident | 74.7 | Confident | 17 Ų | 17 | 96.4 Ų | 96.4 | 18% | 0.175 | 52% | 0.523 | C | S | . | . | S | Bend | trans | 86.6 | -172.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F32 | F32-G34 PolarHBondContact O-N 2.56Š|
| 35 | P | 91.3 | Very high | 75.9 | Confident | 63 Ų | 63 | 91.4 Ų | 91.4 | 41% | 0.409 | 51% | 0.512 | S | S | . | . | trans | -64.7 | 136.1 | -179.8 | 28.3 | -34.7 | 0 | 0 | 0 | 110.8 | T50 Y51 | P35-T50 CarbonylContact O-C 3.49Å; P35-T50 VanDerWaalsContact O-CA 3.23Å; P35-T50 WeakPolarHBondContact O-CA 3.34Å; P35-Y51 HydrophobicContact CB-CD1 4.31Å; P35-Y51 HydrophobicContact CB-CE1 3.63Å; P35-Y51 WeakPolarHBondContact CD-O 3.32Å; P35-Y51 HydrophobicContact CG-CD1 4.04Å; P35-Y51 HydrophobicContact CG-CD2 4.32Å; P35-Y51 HydrophobicContact CG-CE1 3.62Å; P35-Y51 HydrophobicContact CG-CE2 3.92Å; P35-Y51 HydrophobicContact CG-CG 4.36Å; P35-Y51 WeakPolarHBondContact CG-O 3.41Å; P35-Y51 VanDerWaalsContact O-CD1 3.29Å; P35-Y51 WeakPolarHBondContact O-CD1 3.48Å; P35-Y51 PolarHBondContact O-N 3.02Å | ||
| 36 | S | 90.2 | Very high | 77.3 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.4 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | M49 | S36-M49 CarbonylContact C-O 3.55Å; S36-M49 WeakPolarHBondContact CA-O 3.47Å |
| 37 | I | 92.9 | Very high | 79 | Confident | 77 Ų | 77 | 88.5 Ų | 88.5 | 40% | 0.395 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 157.2 | 175.9 | -167.9 | 161.2 | 0 | 0 | 0 | 110.5 | K39 M49 Y51 Y67 | I37-K39 HydrophobicContact CG2-CB 4.14Å; I37-K39 PolarHBondContact O-N 2.8Å; I37-M49 PolarHBondContact N-O 3.05Å; I37-M49 PolarHBondContact O-N 2.99Å; I37-M49 VanDerWaalsContact O-N 3.1Å; I37-Y51 HydrophobicContact CB-CD1 4.2Å; I37-Y51 HydrophobicContact CB-CE1 4.42Å; I37-Y51 HydrophobicContact CG2-CD1 4.12Å; I37-Y67 HydrophobicContact CG2-CD1 4.21Å; I37-Y67 HydrophobicContact CG2-CE1 4.13Å |
| 38 | R | 92.6 | Very high | 80.6 | Confident | 188 Ų | 188 | 89.6 Ų | 89.6 | 71% | 0.709 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 98.8 | 170.7 | -71.9 | -178.1 | 178.9 | -99.3 | 11.2 | 109.6 | D47 | R38-D47 CarbonylContact C-O 3.42Å; R38-D47 WeakPolarHBondContact CA-O 3.15Å; R38-D47 IonicContact NH1-OD1 2.77Å; R38-D47 PolarHBondContact NH1-OD1 3.42Å; R38-D47 VanDerWaalsContact NH1-OD1 3.09Å |
| 39 | K | 90 | Very high | 82.5 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 26% | 0.261 | 45% | 0.452 | S | S | . | . | trans | -148 | 128.9 | 178.4 | -170 | -94.1 | 179.1 | -155.9 | 0 | 107.7 | I37 C41 D47 M49 E76 | I37-K39 HydrophobicContact CG2-CB 4.14Å; I37-K39 PolarHBondContact O-N 2.8Å; K39-C41 PolarHBondContact O-N 2.79Å; K39-D47 PolarHBondContact N-O 3.21Å; K39-D47 CarbonylContact O-C 3.54Å; K39-D47 VanDerWaalsContact O-C 3.23Å; K39-M49 HydrophobicContact CD-CG 4.32Å; K39-M49 HydrophobicContact CD-SD 3.36Å; K39-M49 WeakPolarHBondContact CD-SD 3.46Å; K39-M49 WeakPolarHBondContact O-CG 3.04Å; K39-E76 IonicContact NZ-OE1 2.66Å; K39-E76 PolarHBondContact NZ-OE1 2.72Å; K39-E76 IonicContact NZ-OE2 3.09Å; K39-E76 PolarHBondContact NZ-OE2 2.91Å | ||
| 40 | E | 91.7 | Very high | 84.2 | Confident | 129 Ų | 129 | 79.2 Ų | 79.2 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | trans | -74.2 | 124.6 | -179.4 | -168.8 | 177.6 | 88.8 | 0 | 0 | 110.7 | A42 N46 | E40-A42 PolarHBondContact O-N 2.69Å; E40-N46 CarbonylContact C-O 3.52Å; E40-N46 VanDerWaalsContact CA-O 3.31Å; E40-N46 WeakPolarHBondContact CA-O 3.23Å | ||
| 41 | C | 89.8 | Confident | 86 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | trans | -73.8 | 120.8 | 172.7 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | K39 Y43 C44 G45 N46 M49 C69 | K39-C41 PolarHBondContact O-N 2.79Å; C41-Y43 PolarHBondContact O-N 2.74Å; C41-Y43 VanDerWaalsContact O-N 3.08Å; C41-C44 VanDerWaalsContact CB-SG 3.57Å; C41-C44 PolarHBondContact O-N 3.11Å; C41-G45 WeakPolarHBondContact O-CA 3.35Å; C41-G45 PolarHBondContact O-N 3.34Å; C41-N46 HydrophobicContact CB-CB 4.44Å; C41-N46 PolarHBondContact N-O 2.8Å; C41-M49 HydrophobicContact CB-CG 4.3Å; C41-M49 HydrophobicContact CB-SD 3.87Å; C41-C69 HydrophobicContact CB-CB 4.23Å | ||
| 42 | A | 87.2 | Confident | 87.7 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E40 | E40-A42 PolarHBondContact O-N 2.69Š|
| 43 | Y | 87.1 | Confident | 89.2 | Confident | 156 Ų | 156 | 70.9 Ų | 70.9 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -32.7 | -177 | -62.1 | -82.8 | 0 | 0 | 0 | 113.9 | C41 E74 E76 | C41-Y43 PolarHBondContact O-N 2.74Å; C41-Y43 VanDerWaalsContact O-N 3.08Å; Y43-E74 HydrophobicContact CD2-CB 3.94Å; Y43-E74 HydrophobicContact CD2-CG 4.16Å; Y43-E74 HydrophobicContact CE2-CB 4.3Å; Y43-E74 HydrophobicContact CG-CB 4.46Å; Y43-E74 HydrophobicContact CG-CG 4.2Å; Y43-E76 HydrophobicContact CE2-CG 4.43Å |
| 44 | C | 88.2 | Confident | 90.2 | Very high | 51 Ų | 51 | 70.1 Ų | 70.1 | 35% | 0.345 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -7.2 | -172.2 | 64.5 | 0 | 0 | 0 | 0 | 114.9 | C41 N46 F72 | C41-C44 VanDerWaalsContact CB-SG 3.57Å; C41-C44 PolarHBondContact O-N 3.11Å; C44-N46 PolarHBondContact O-N 2.97Å; C44-N46 VanDerWaalsContact SG-CB 3.52Å; C44-F72 HydrophobicContact CB-CD2 3.62Å; C44-F72 HydrophobicContact CB-CE2 3.38Å |
| 45 | G | 87.9 | Confident | 90.5 | Very high | 45 Ų | 45 | 75.2 Ų | 75.2 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | trans | 71.7 | 14.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C41 | C41-G45 WeakPolarHBondContact O-CA 3.35Å; C41-G45 PolarHBondContact O-N 3.34Å | ||
| 46 | N | 88.2 | Confident | 90.2 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 19% | 0.193 | 40% | 0.398 | C | S | . | . | trans | -73 | 128.5 | 176.7 | 179.5 | 37.9 | 0 | 0 | 0 | 110.8 | E40 C41 C44 R48 T70 Q71 | E40-N46 CarbonylContact C-O 3.52Å; E40-N46 VanDerWaalsContact CA-O 3.31Å; E40-N46 WeakPolarHBondContact CA-O 3.23Å; C41-N46 HydrophobicContact CB-CB 4.44Å; C41-N46 PolarHBondContact N-O 2.8Å; C44-N46 PolarHBondContact O-N 2.97Å; C44-N46 VanDerWaalsContact SG-CB 3.52Å; N46-R48 PolarHBondContact ND2-O 2.9Å; N46-R48 PolarHBondContact O-N 3.46Å; N46-T70 PolarHBondContact ND2-OG1 3.39Å; N46-Q71 HydrophobicContact CB-CG 4.08Å; N46-Q71 WeakPolarHBondContact ND2-CG 3.38Å | ||
| 47 | D | 91.8 | Very high | 90.1 | Very high | 71 Ų | 71 | 78.6 Ų | 78.6 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -73.3 | -4.8 | -178 | -172.5 | -114 | 0 | 0 | 0 | 113.6 | R38 K39 | R38-D47 CarbonylContact C-O 3.42Å; R38-D47 WeakPolarHBondContact CA-O 3.15Å; R38-D47 IonicContact NH1-OD1 2.77Å; R38-D47 PolarHBondContact NH1-OD1 3.42Å; R38-D47 VanDerWaalsContact NH1-OD1 3.09Å; K39-D47 PolarHBondContact N-O 3.21Å; K39-D47 CarbonylContact O-C 3.54Å; K39-D47 VanDerWaalsContact O-C 3.23Å |
| 48 | R | 90.1 | Very high | 89.9 | Confident | 146 Ų | 146 | 78.3 Ų | 78.3 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.4 | -176.3 | -66.4 | -176.7 | -179.1 | 177.8 | 0.5 | 112.2 | N46 T70 | N46-R48 PolarHBondContact ND2-O 2.9Å; N46-R48 PolarHBondContact O-N 3.46Å; R48-T70 HydrophobicContact CB-CG2 4.35Å; R48-T70 PolarHBondContact O-OG1 3.05Å |
| 49 | M | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 145.8 | 172.1 | -64.2 | -171.2 | 71.4 | 0 | 0 | 109.3 | S36 I37 K39 C41 T68 C69 E76 | S36-M49 CarbonylContact C-O 3.55Å; S36-M49 WeakPolarHBondContact CA-O 3.47Å; I37-M49 PolarHBondContact N-O 3.05Å; I37-M49 PolarHBondContact O-N 2.99Å; I37-M49 VanDerWaalsContact O-N 3.1Å; K39-M49 HydrophobicContact CD-CG 4.32Å; K39-M49 HydrophobicContact CD-SD 3.36Å; K39-M49 WeakPolarHBondContact CD-SD 3.46Å; K39-M49 WeakPolarHBondContact O-CG 3.04Å; C41-M49 HydrophobicContact CB-CG 4.3Å; C41-M49 HydrophobicContact CB-SD 3.87Å; M49-T68 CarbonylContact C-O 3.41Å; M49-T68 VanDerWaalsContact CA-O 3.3Å; M49-T68 WeakPolarHBondContact CA-O 3.44Å; M49-T68 WeakPolarHBondContact CB-O 3.27Å; M49-C69 HydrophobicContact CE-CB 4.09Å; M49-E76 HydrophobicContact CE-CG 4.44Å; M49-E76 VanDerWaalsContact CE-OE2 3.24Å; M49-E76 WeakPolarHBondContact CE-OE2 3.48Å |
| 50 | T | 92 | Very high | 89.1 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 3% | 0.025 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 156.9 | 168 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | D33 P35 Y67 T68 T70 | D33-T50 HydrophobicContact CB-CG2 3.77Å; D33-T50 WeakPolarHBondContact O-CB 3.44Å; D33-T50 WeakPolarHBondContact O-CG2 3.36Å; D33-T50 PolarHBondContact O-OG1 3.35Å; D33-T50 WeakPolarHBondContact OD2-CB 3.41Å; D33-T50 PolarHBondContact OD2-OG1 3.12Å; P35-T50 CarbonylContact O-C 3.49Å; P35-T50 VanDerWaalsContact O-CA 3.23Å; P35-T50 WeakPolarHBondContact O-CA 3.34Å; T50-Y67 CarbonylContact O-C 3.45Å; T50-Y67 WeakPolarHBondContact O-CA 3.42Å; T50-T68 PolarHBondContact N-O 3.13Å; T50-T68 PolarHBondContact O-N 3.43Å; T50-T68 WeakPolarHBondContact OG1-CB 3.38Å; T50-T68 PolarHBondContact OG1-O 3.02Å; T50-T68 VanDerWaalsContact OG1-O 3.05Å; T50-T70 HydrophobicContact CG2-CG2 3.8Å |
| 51 | Y | 91.8 | Very high | 88.5 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.3 | 175.4 | 72.3 | -85.5 | 0 | 0 | 0 | 112 | P35 I37 V65 I66 Y67 | P35-Y51 HydrophobicContact CB-CD1 4.31Å; P35-Y51 HydrophobicContact CB-CE1 3.63Å; P35-Y51 WeakPolarHBondContact CD-O 3.32Å; P35-Y51 HydrophobicContact CG-CD1 4.04Å; P35-Y51 HydrophobicContact CG-CD2 4.32Å; P35-Y51 HydrophobicContact CG-CE1 3.62Å; P35-Y51 HydrophobicContact CG-CE2 3.92Å; P35-Y51 HydrophobicContact CG-CG 4.36Å; P35-Y51 WeakPolarHBondContact CG-O 3.41Å; P35-Y51 VanDerWaalsContact O-CD1 3.29Å; P35-Y51 WeakPolarHBondContact O-CD1 3.48Å; P35-Y51 PolarHBondContact O-N 3.02Å; I37-Y51 HydrophobicContact CB-CD1 4.2Å; I37-Y51 HydrophobicContact CB-CE1 4.42Å; I37-Y51 HydrophobicContact CG2-CD1 4.12Å; Y51-V65 HydrophobicContact CD2-CG1 4.18Å; Y51-I66 CarbonylContact C-O 3.5Å; Y51-I66 VanDerWaalsContact CA-O 3.27Å; Y51-I66 WeakPolarHBondContact CA-O 3.49Å; Y51-Y67 HydrophobicContact CG-CE1 4.4Å |
| 52 | V | 92.1 | Very high | 88.3 | Confident | 63 Ų | 63 | 79 Ų | 79 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.1 | 172.7 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | V65 I66 | V52-V65 WeakPolarHBondContact O-CA 3.45Å; V52-I66 HydrophobicContact CG2-CB 3.85Å; V52-I66 PolarHBondContact N-O 3.2Å; V52-I66 PolarHBondContact O-N 3.27Å |
| 53 | T | 91.9 | Very high | 88.5 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.6 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 109.2 | T64 V65 | T53-T64 CarbonylContact C-O 3.58Å; T53-T64 WeakPolarHBondContact CA-O 3.49Å; T53-V65 HydrophobicContact CG2-CG2 4.24Å |
| 54 | V | 91.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.6 | -178 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | T56 T64 I66 | V54-T56 HydrophobicContact CB-CG2 4.42Å; V54-T56 HydrophobicContact CG2-CG2 3.8Å; V54-T56 PolarHBondContact O-N 2.79Å; V54-T64 HydrophobicContact CG2-CG2 4.48Å; V54-T64 PolarHBondContact N-O 3.12Å; V54-T64 PolarHBondContact O-N 2.87Å; V54-I66 HydrophobicContact CG2-CD1 3.54Å; V54-I66 HydrophobicContact CG2-CG1 3.94Å |
| 55 | Q | 89.6 | Confident | 88.9 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | trans | -87.9 | 96.1 | 174.1 | -149.1 | 86.2 | 70.8 | 0 | 0 | 108.4 | G62 Q63 | Q55-G62 VanDerWaalsContact NE2-C 3.28Å; Q55-G62 PolarHBondContact NE2-O 3.38Å; Q55-Q63 VanDerWaalsContact NE2-CA 3.32Å | ||
| 56 | T | 86.3 | Confident | 89.2 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | trans | -97.5 | -15 | 179.4 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | V54 T64 | V54-T56 HydrophobicContact CB-CG2 4.42Å; V54-T56 HydrophobicContact CG2-CG2 3.8Å; V54-T56 PolarHBondContact O-N 2.79Å; T56-T64 PolarHBondContact OG1-OG1 2.9Å | ||
| 57 | R | 86.9 | Confident | 89.4 | Confident | 123 Ų | 123 | 69.2 Ų | 69.2 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -121.4 | 176.9 | -174.6 | -58.2 | -173.3 | -170 | -172 | 4.9 | 111.5 | E61 N79 | R57-E61 HydrophobicContact CB-CB 4Å; R57-N79 PolarHBondContact NH2-OD1 3.04Å |
| 58 | S | 88.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | trans | -53.4 | 152.6 | 177.3 | -46.5 | 0 | 0 | 0 | 0 | 111.2 | D60 E61 | S58-D60 PolarHBondContact O-N 2.81Å; S58-E61 PolarHBondContact O-N 2.76Å; S58-E61 PolarHBondContact OG-OE2 2.82Å | ||
| 59 | A | 80.9 | Confident | 89.4 | Confident | 96 Ų | 96 | 59.5 Ų | 59.5 | 79% | 0.793 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -25.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 60 | D | 85.7 | Confident | 89.1 | Confident | 157 Ų | 157 | 62.1 Ų | 62.1 | 84% | 0.84 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -17 | 178.1 | -57.6 | -67 | 0 | 0 | 0 | 114.1 | S58 | S58-D60 PolarHBondContact O-N 2.81Š|
| 61 | E | 78.4 | Confident | 88.7 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -102.1 | 17.2 | -166.8 | -64.1 | -176 | 108.8 | 0 | 0 | 114.4 | R57 S58 | R57-E61 HydrophobicContact CB-CB 4Å; S58-E61 PolarHBondContact O-N 2.76Å; S58-E61 PolarHBondContact OG-OE2 2.82Å |
| 62 | G | 86.6 | Confident | 88.2 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | trans | 74.8 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q55 | Q55-G62 VanDerWaalsContact NE2-C 3.28Å; Q55-G62 PolarHBondContact NE2-O 3.38Å | ||
| 63 | Q | 90.1 | Very high | 87.6 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 155 | -180 | 68.1 | 179.2 | 4.7 | 0 | 0 | 111.1 | Q55 T80 | Q55-Q63 VanDerWaalsContact NE2-CA 3.32Å; Q63-T80 HydrophobicContact CG-CG2 3.82Å; Q63-T80 WeakPolarHBondContact O-CG2 3.45Å; Q63-T80 PolarHBondContact O-N 3.19Å |
| 64 | T | 92.1 | Very high | 87.3 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131 | 173.4 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | T53 V54 T56 I66 I77 N79 | T53-T64 CarbonylContact C-O 3.58Å; T53-T64 WeakPolarHBondContact CA-O 3.49Å; V54-T64 HydrophobicContact CG2-CG2 4.48Å; V54-T64 PolarHBondContact N-O 3.12Å; V54-T64 PolarHBondContact O-N 2.87Å; T56-T64 PolarHBondContact OG1-OG1 2.9Å; T64-I66 HydrophobicContact CG2-CG1 4.3Å; T64-I77 HydrophobicContact CG2-CG2 3.25Å; T64-N79 PolarHBondContact OG1-OD1 2.82Å |
| 65 | V | 93.4 | Very high | 87.2 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 9% | 0.085 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.6 | 173.8 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | Y51 V52 T53 Y67 E78 | Y51-V65 HydrophobicContact CD2-CG1 4.18Å; V52-V65 WeakPolarHBondContact O-CA 3.45Å; T53-V65 HydrophobicContact CG2-CG2 4.24Å; V65-Y67 HydrophobicContact CB-CE2 4.29Å; V65-Y67 HydrophobicContact CG1-CD2 4.47Å; V65-Y67 HydrophobicContact CG1-CE1 4Å; V65-Y67 HydrophobicContact CG1-CE2 3.92Å; V65-E78 PolarHBondContact N-O 2.95Å; V65-E78 PolarHBondContact O-N 3.02Å; V65-E78 VanDerWaalsContact O-O 3.11Å |
| 66 | I | 92.7 | Very high | 87.1 | Confident | 34 Ų | 34 | 72 Ų | 72 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.7 | 176.2 | -55.6 | 176.3 | 0 | 0 | 0 | 107.7 | Y51 V52 V54 T64 K75 E76 I77 | Y51-I66 CarbonylContact C-O 3.5Å; Y51-I66 VanDerWaalsContact CA-O 3.27Å; Y51-I66 WeakPolarHBondContact CA-O 3.49Å; V52-I66 HydrophobicContact CG2-CB 3.85Å; V52-I66 PolarHBondContact N-O 3.2Å; V52-I66 PolarHBondContact O-N 3.27Å; V54-I66 HydrophobicContact CG2-CD1 3.54Å; V54-I66 HydrophobicContact CG2-CG1 3.94Å; T64-I66 HydrophobicContact CG2-CG1 4.3Å; I66-K75 HydrophobicContact CG2-CB 4.22Å; I66-K75 HydrophobicContact CG2-CD 4.42Å; I66-E76 CarbonylContact C-O 3.53Å; I66-I77 HydrophobicContact CG1-CG1 4.26Å; I66-I77 HydrophobicContact CG1-CG2 4.42Å; I66-I77 HydrophobicContact CG2-CG1 4.37Å |
| 67 | Y | 93.1 | Very high | 87.3 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 13% | 0.129 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.8 | 172.5 | -57.5 | -83.1 | 0 | 0 | 0 | 109.8 | I37 T50 Y51 V65 K75 E76 E78 | I37-Y67 HydrophobicContact CG2-CD1 4.21Å; I37-Y67 HydrophobicContact CG2-CE1 4.13Å; T50-Y67 CarbonylContact O-C 3.45Å; T50-Y67 WeakPolarHBondContact O-CA 3.42Å; Y51-Y67 HydrophobicContact CG-CE1 4.4Å; V65-Y67 HydrophobicContact CB-CE2 4.29Å; V65-Y67 HydrophobicContact CG1-CD2 4.47Å; V65-Y67 HydrophobicContact CG1-CE1 4Å; V65-Y67 HydrophobicContact CG1-CE2 3.92Å; Y67-K75 CarbonylContact O-C 3.23Å; Y67-K75 VanDerWaalsContact O-CA 3.23Å; Y67-K75 WeakPolarHBondContact O-CA 3.42Å; Y67-E76 PolarHBondContact N-O 3.09Å; Y67-E76 PolarHBondContact O-N 3.23Å; Y67-E78 HydrophobicContact CD2-CB 4.39Å; Y67-E78 HydrophobicContact CE2-CB 3.73Å; Y67-E78 PolarHBondContact OH-OE1 2.89Å |
| 68 | T | 91.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.055 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.7 | 173 | -57 | 0 | 0 | 0 | 0 | 109.2 | M49 T50 K75 | M49-T68 CarbonylContact C-O 3.41Å; M49-T68 VanDerWaalsContact CA-O 3.3Å; M49-T68 WeakPolarHBondContact CA-O 3.44Å; M49-T68 WeakPolarHBondContact CB-O 3.27Å; T50-T68 PolarHBondContact N-O 3.13Å; T50-T68 PolarHBondContact O-N 3.43Å; T50-T68 WeakPolarHBondContact OG1-CB 3.38Å; T50-T68 PolarHBondContact OG1-O 3.02Å; T50-T68 VanDerWaalsContact OG1-O 3.05Å; T68-K75 HydrophobicContact CG2-CG 4.23Å; T68-K75 VanDerWaalsContact CG2-NZ 3.34Å; T68-K75 PolarHBondContact OG1-NZ 2.86Å |
| 69 | C | 90.1 | Very high | 87 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 136.5 | 178.3 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | C41 M49 Q71 F72 E74 | C41-C69 HydrophobicContact CB-CB 4.23Å; M49-C69 HydrophobicContact CE-CB 4.09Å; C69-Q71 PolarHBondContact O-N 2.8Å; C69-Q71 PolarHBondContact SG-N 2.8Å; C69-Q71 VanDerWaalsContact SG-N 3.43Å; C69-F72 CarbonylContact C-O 3.58Å; C69-F72 VanDerWaalsContact CB-O 3.28Å; C69-F72 WeakPolarHBondContact CB-O 3.23Å; C69-E74 PolarHBondContact N-O 2.89Å |
| 70 | T | 86.7 | Confident | 86.8 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -73.2 | -13.4 | 178.5 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | N46 R48 T50 | N46-T70 PolarHBondContact ND2-OG1 3.39Å; R48-T70 HydrophobicContact CB-CG2 4.35Å; R48-T70 PolarHBondContact O-OG1 3.05Å; T50-T70 HydrophobicContact CG2-CG2 3.8Å |
| 71 | Q | 84.1 | Confident | 86.9 | Confident | 131 Ų | 131 | 70.4 Ų | 70.4 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -102 | -26.6 | -179.3 | -66.2 | -67.8 | -65.4 | 0 | 0 | 112.5 | N46 C69 | N46-Q71 HydrophobicContact CB-CG 4.08Å; N46-Q71 WeakPolarHBondContact ND2-CG 3.38Å; C69-Q71 PolarHBondContact O-N 2.8Å; C69-Q71 PolarHBondContact SG-N 2.8Å; C69-Q71 VanDerWaalsContact SG-N 3.43Å |
| 72 | F | 79.7 | Confident | 87.3 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 52% | 0.522 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -142.6 | 152.7 | -177 | -60.6 | -77.3 | 0 | 0 | 0 | 110.1 | C44 C69 E74 | C44-F72 HydrophobicContact CB-CD2 3.62Å; C44-F72 HydrophobicContact CB-CE2 3.38Å; C69-F72 CarbonylContact C-O 3.58Å; C69-F72 VanDerWaalsContact CB-O 3.28Å; C69-F72 WeakPolarHBondContact CB-O 3.23Å; F72-E74 HydrophobicContact CB-CG 4.39Å; F72-E74 PolarHBondContact O-N 3.35Å |
| 73 | S | 79.5 | Confident | 87.4 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 73% | 0.734 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -72.7 | 15.5 | 179.7 | -54.8 | 0 | 0 | 0 | 0 | 115 | ||
| 74 | E | 86.3 | Confident | 87.2 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | trans | -70.7 | 138.5 | 177.2 | -67 | -55.9 | 133.1 | 0 | 0 | 111 | Y43 C69 F72 | Y43-E74 HydrophobicContact CD2-CB 3.94Å; Y43-E74 HydrophobicContact CD2-CG 4.16Å; Y43-E74 HydrophobicContact CE2-CB 4.3Å; Y43-E74 HydrophobicContact CG-CB 4.46Å; Y43-E74 HydrophobicContact CG-CG 4.2Å; C69-E74 PolarHBondContact N-O 2.89Å; F72-E74 HydrophobicContact CB-CG 4.39Å; F72-E74 PolarHBondContact O-N 3.35Å | ||
| 75 | K | 88.5 | Confident | 86.9 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.9 | -173.1 | -57.8 | -176.3 | -176.1 | -68.3 | 0 | 110.9 | I66 Y67 T68 | I66-K75 HydrophobicContact CG2-CB 4.22Å; I66-K75 HydrophobicContact CG2-CD 4.42Å; Y67-K75 CarbonylContact O-C 3.23Å; Y67-K75 VanDerWaalsContact O-CA 3.23Å; Y67-K75 WeakPolarHBondContact O-CA 3.42Å; T68-K75 HydrophobicContact CG2-CG 4.23Å; T68-K75 VanDerWaalsContact CG2-NZ 3.34Å; T68-K75 PolarHBondContact OG1-NZ 2.86Å |
| 76 | E | 88.8 | Confident | 86.5 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.9 | 175.2 | -67.8 | 176.4 | 83.9 | 0 | 0 | 108.6 | K39 Y43 M49 I66 Y67 | K39-E76 IonicContact NZ-OE1 2.66Å; K39-E76 PolarHBondContact NZ-OE1 2.72Å; K39-E76 IonicContact NZ-OE2 3.09Å; K39-E76 PolarHBondContact NZ-OE2 2.91Å; Y43-E76 HydrophobicContact CE2-CG 4.43Å; M49-E76 HydrophobicContact CE-CG 4.44Å; M49-E76 VanDerWaalsContact CE-OE2 3.24Å; M49-E76 WeakPolarHBondContact CE-OE2 3.48Å; I66-E76 CarbonylContact C-O 3.53Å; Y67-E76 PolarHBondContact N-O 3.09Å; Y67-E76 PolarHBondContact O-N 3.23Å |
| 77 | I | 90.2 | Very high | 86 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 59% | 0.585 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.3 | -174.1 | -55.5 | 178.5 | 0 | 0 | 0 | 108.5 | T64 I66 | T64-I77 HydrophobicContact CG2-CG2 3.25Å; I66-I77 HydrophobicContact CG1-CG1 4.26Å; I66-I77 HydrophobicContact CG1-CG2 4.42Å; I66-I77 HydrophobicContact CG2-CG1 4.37Å |
| 78 | E | 86.7 | Confident | 85.5 | Confident | 103 Ų | 103 | 85 Ų | 85 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.6 | 174.7 | -173.2 | 171.7 | 76.9 | 0 | 0 | 108.9 | V65 Y67 | V65-E78 PolarHBondContact N-O 2.95Å; V65-E78 PolarHBondContact O-N 3.02Å; V65-E78 VanDerWaalsContact O-O 3.11Å; Y67-E78 HydrophobicContact CD2-CB 4.39Å; Y67-E78 HydrophobicContact CE2-CB 3.73Å; Y67-E78 PolarHBondContact OH-OE1 2.89Å |
| 79 | N | 82.7 | Confident | 85 | Confident | 85 Ų | 85 | 91.3 Ų | 91.3 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.6 | 176.7 | -54.7 | -93.6 | 0 | 0 | 0 | 107 | R57 T64 | R57-N79 PolarHBondContact NH2-OD1 3.04Å; T64-N79 PolarHBondContact OG1-OD1 2.82Å |
| 80 | T | 76.8 | Confident | 84.5 | Confident | 129 Ų | 129 | 99.3 Ų | 99.3 | 79% | 0.791 | 51% | 0.514 | S | S | * | . | trans | -102.6 | 0 | 173.8 | -160 | 0 | 0 | 0 | 0 | 112.4 | Q63 | Q63-T80 HydrophobicContact CG-CG2 3.82Å; Q63-T80 WeakPolarHBondContact O-CG2 3.45Å; Q63-T80 PolarHBondContact O-N 3.19Å |
Retrieved 80 of 80 residues in 54.4 ms
(Link to these results)