| 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 | 51.9 | Low | 63.9 | Low | 243 Ų | 243 | 159.8 Ų | 159.8 | 100% | 1.197 | 84% | 0.841 | S | S | * | * | 0 | 85 | 0 | -62.9 | 178.5 | 178.6 | 0 | 0 | 108.4 | |||||
| 2 | L | 65.6 | Low | 64.6 | Low | 175 Ų | 175 | 162.5 Ų | 162.5 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -109.9 | 109.4 | 171.9 | -84.5 | 141.1 | 0 | 0 | 0 | 106.2 | ||||
| 3 | N | 67.7 | Low | 65.4 | Low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66 | 130.4 | 171.6 | -86.1 | -67.3 | 0 | 0 | 0 | 108.4 | ||
| 4 | P | 70.9 | Confident | 66.6 | Low | 106 Ų | 106 | 149.3 Ų | 149.3 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 141.7 | 174.6 | 26.6 | -31.6 | 0 | 0 | 0 | 109.8 | K6 | P4-K6 PolarHBondContact O-N 3.22Š|
| 5 | P | 73.6 | Confident | 68 | Low | 119 Ų | 119 | 144.2 Ų | 144.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 124.3 | 172.7 | 25.4 | -32.1 | 0 | 0 | 0 | 108.8 | L7 | P5-L7 PolarHBondContact O-N 3.11Å; P5-L7 VanDerWaalsContact O-N 3.11Å |
| 6 | K | 63.9 | Low | 69.3 | Low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -62.3 | 115.2 | 169.1 | -72.6 | -172.9 | 173.8 | 169.6 | 0 | 107.5 | P4 T8 | P4-K6 PolarHBondContact O-N 3.22Å; K6-T8 VanDerWaalsContact C-N 3.3Å; K6-T8 PolarHBondContact O-N 3.25Å | ||
| 7 | L | 60 | Low | 70.6 | Confident | 180 Ų | 180 | 140.6 Ų | 140.6 | 94% | 0.942 | 77% | 0.766 | S | S | * | * | trans | -59.3 | 97 | 167.3 | -72.3 | 164 | 0 | 0 | 0 | 107.2 | P5 E9 | P5-L7 PolarHBondContact O-N 3.11Å; P5-L7 VanDerWaalsContact O-N 3.11Å; L7-E9 PolarHBondContact O-N 2.87Å | ||
| 8 | T | 60.1 | Low | 71.7 | Confident | 111 Ų | 111 | 135.2 Ų | 135.2 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | trans | -72.3 | 110.6 | 177.8 | 36.4 | 0 | 0 | 0 | 0 | 109.3 | K6 | K6-T8 VanDerWaalsContact C-N 3.3Å; K6-T8 PolarHBondContact O-N 3.25Å | ||
| 9 | E | 61.9 | Low | 72.8 | Confident | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 45 | 139.9 | 163.6 | -63.8 | -172.9 | 93.4 | 0 | 0 | 118.7 | L7 K11 | L7-E9 PolarHBondContact O-N 2.87Å; E9-K11 PolarHBondContact O-N 2.81Å | ||
| 10 | P | 63.2 | Low | 73.8 | Confident | 121 Ų | 121 | 134.1 Ų | 134.1 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -60.3 | 104.2 | 167.3 | 26.5 | -31 | 0 | 0 | 0 | 107.6 | Q12 | P10-Q12 VanDerWaalsContact C-N 3.33Å; P10-Q12 PolarHBondContact O-N 2.99Å | ||
| 11 | K | 64.3 | Low | 74.7 | Confident | 185 Ų | 185 | 130.4 Ų | 130.4 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -57.8 | 102.1 | 170.2 | -73 | -170.6 | 174.4 | 67.1 | 0 | 106.4 | E9 G13 | E9-K11 PolarHBondContact O-N 2.81Å; K11-G13 PolarHBondContact O-N 2.81Å | ||
| 12 | Q | 71.7 | Confident | 76.7 | Confident | 192 Ų | 192 | 125.3 Ų | 125.3 | 90% | 0.897 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 117.2 | 172.5 | -78 | 178 | 35.7 | 0 | 0 | 106.8 | P10 | P10-Q12 VanDerWaalsContact C-N 3.33Å; P10-Q12 PolarHBondContact O-N 2.99Å |
| 13 | G | 75.3 | Confident | 78 | Confident | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 164.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K11 S15 | K11-G13 PolarHBondContact O-N 2.81Å; G13-S15 PolarHBondContact O-N 3.38Å |
| 14 | P | 81.7 | Confident | 79.3 | Confident | 83 Ų | 83 | 115.1 Ų | 115.1 | 54% | 0.539 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 138.6 | 180 | 23.7 | -32.8 | 0 | 0 | 0 | 110.8 | A18 K19 | P14-A18 HydrophobicContact CB-CB 3.84Å; P14-K19 HydrophobicContact CB-CG 4.21Å; P14-K19 HydrophobicContact CG-CG 3.97Å; P14-K19 VanDerWaalsContact O-CE 3.31Å; P14-K19 WeakPolarHBondContact O-CE 3.47Å |
| 15 | S | 88.1 | Confident | 80.3 | Confident | 73 Ų | 73 | 116 Ų | 116 | 51% | 0.51 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 160.3 | 172.8 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | G13 A17 A18 K19 | G13-S15 PolarHBondContact O-N 3.38Å; S15-A17 PolarHBondContact O-N 3.15Å; S15-A18 PolarHBondContact O-N 2.95Å; S15-A18 WeakPolarHBondContact OG-CB 3.31Å; S15-A18 PolarHBondContact OG-N 3.43Å; S15-K19 PolarHBondContact O-N 3.04Å |
| 16 | K | 89.1 | Confident | 81.1 | Confident | 163 Ų | 163 | 115.1 Ų | 115.1 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -54.4 | -40.9 | 175.7 | -171.7 | 179 | 180 | -176.3 | 0 | 111.5 | K19 Q20 | K16-K19 PolarHBondContact O-N 3.19Å; K16-Q20 WeakPolarHBondContact O-CG 3.49Å; K16-Q20 PolarHBondContact O-N 2.98Å |
| 17 | A | 90.8 | Very high | 82.5 | Confident | 65 Ų | 65 | 108.7 Ų | 108.7 | 54% | 0.537 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.1 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S15 K19 Q20 A21 | S15-A17 PolarHBondContact O-N 3.15Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 3.25Å; A17-Q20 PolarHBondContact O-N 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 2.97Å |
| 18 | A | 91.7 | Very high | 83.9 | Confident | 42 Ų | 42 | 105.3 Ų | 105.3 | 35% | 0.347 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P14 S15 K22 | P14-A18 HydrophobicContact CB-CB 3.84Å; S15-A18 PolarHBondContact O-N 2.95Å; S15-A18 WeakPolarHBondContact OG-CB 3.31Å; S15-A18 PolarHBondContact OG-N 3.43Å; A18-K22 WeakPolarHBondContact O-CB 3.46Å; A18-K22 PolarHBondContact O-N 3.29Å |
| 19 | K | 91.4 | Very high | 85.2 | Confident | 127 Ų | 127 | 104.5 Ų | 104.5 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.4 | -43.4 | 174 | -67.3 | 177.7 | -177.8 | 178 | 0 | 111.7 | P14 S15 K16 A17 K22 A23 | P14-K19 HydrophobicContact CB-CG 4.21Å; P14-K19 HydrophobicContact CG-CG 3.97Å; P14-K19 VanDerWaalsContact O-CE 3.31Å; P14-K19 WeakPolarHBondContact O-CE 3.47Å; S15-K19 PolarHBondContact O-N 3.04Å; K16-K19 PolarHBondContact O-N 3.19Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 3.25Å; K19-K22 PolarHBondContact O-N 2.94Å; K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.41Å |
| 20 | Q | 93.3 | Very high | 86.5 | Confident | 122 Ų | 122 | 102.7 Ų | 102.7 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -44.5 | 177.1 | -73 | 173.2 | -45 | 0 | 0 | 112 | K16 A17 K22 A23 A24 | K16-Q20 WeakPolarHBondContact O-CG 3.49Å; K16-Q20 PolarHBondContact O-N 2.98Å; A17-Q20 PolarHBondContact O-N 3.24Å; Q20-K22 VanDerWaalsContact C-N 3.33Å; Q20-K22 PolarHBondContact O-N 3.29Å; Q20-A23 WeakPolarHBondContact O-CB 3.21Å; Q20-A23 PolarHBondContact O-N 2.86Å; Q20-A23 VanDerWaalsContact O-N 3.15Å; Q20-A24 PolarHBondContact O-N 3.22Å |
| 21 | A | 93.6 | Very high | 87.7 | Confident | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.1 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A17 A23 A24 M25 | A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 2.97Å; A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.4Å; A21-A24 PolarHBondContact O-N 3.42Å; A21-M25 WeakPolarHBondContact O-CB 3.39Å; A21-M25 VanDerWaalsContact O-CG 3.25Å; A21-M25 WeakPolarHBondContact O-CG 3.38Å; A21-M25 PolarHBondContact O-N 2.91Å |
| 22 | K | 92.7 | Very high | 88.7 | Confident | 137 Ų | 137 | 96.5 Ų | 96.5 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 174.6 | -169.2 | -169.1 | 169.4 | 178.9 | 0 | 112 | A18 K19 Q20 Q26 | A18-K22 WeakPolarHBondContact O-CB 3.46Å; A18-K22 PolarHBondContact O-N 3.29Å; K19-K22 PolarHBondContact O-N 2.94Å; Q20-K22 VanDerWaalsContact C-N 3.33Å; Q20-K22 PolarHBondContact O-N 3.29Å; K22-Q26 WeakPolarHBondContact O-CB 3.32Å; K22-Q26 WeakPolarHBondContact O-CG 3.49Å; K22-Q26 PolarHBondContact O-N 2.97Å; K22-Q26 PolarHBondContact O-NE2 2.93Å; K22-Q26 VanDerWaalsContact O-NE2 3.15Å |
| 23 | A | 93.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K19 Q20 A21 Q26 A27 | K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.41Å; Q20-A23 WeakPolarHBondContact O-CB 3.21Å; Q20-A23 PolarHBondContact O-N 2.86Å; Q20-A23 VanDerWaalsContact O-N 3.15Å; A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.4Å; A23-Q26 PolarHBondContact O-N 3Å; A23-A27 WeakPolarHBondContact O-CB 3.43Å; A23-A27 PolarHBondContact O-N 3.45Å |
| 24 | A | 94 | Very high | 90.1 | Very high | 61 Ų | 61 | 92.5 Ų | 92.5 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q20 A21 A27 Q28 | Q20-A24 PolarHBondContact O-N 3.22Å; A21-A24 PolarHBondContact O-N 3.42Å; A24-A27 PolarHBondContact O-N 3.15Å; A24-Q28 PolarHBondContact O-N 3.32Å |
| 25 | M | 91.3 | Very high | 90.5 | Very high | 126 Ų | 126 | 90.4 Ų | 90.4 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 176 | -71.4 | -72.7 | 151.7 | 0 | 0 | 112.2 | A21 Q28 L29 | A21-M25 WeakPolarHBondContact O-CB 3.39Å; A21-M25 VanDerWaalsContact O-CG 3.25Å; A21-M25 WeakPolarHBondContact O-CG 3.38Å; A21-M25 PolarHBondContact O-N 2.91Å; M25-Q28 PolarHBondContact O-N 3.32Å; M25-L29 WeakPolarHBondContact O-CB 3.49Å; M25-L29 PolarHBondContact O-N 2.9Å |
| 26 | Q | 91.4 | Very high | 90.7 | Very high | 100 Ų | 100 | 88 Ų | 88 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.1 | -78.3 | 173.9 | 94.8 | 0 | 0 | 111.6 | K22 A23 Q28 L29 M30 | K22-Q26 WeakPolarHBondContact O-CB 3.32Å; K22-Q26 WeakPolarHBondContact O-CG 3.49Å; K22-Q26 PolarHBondContact O-N 2.97Å; K22-Q26 PolarHBondContact O-NE2 2.93Å; K22-Q26 VanDerWaalsContact O-NE2 3.15Å; A23-Q26 PolarHBondContact O-N 3Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q26-Q28 PolarHBondContact O-N 2.97Å; Q26-L29 PolarHBondContact O-N 3.37Å; Q26-M30 WeakPolarHBondContact O-CB 3.42Å; Q26-M30 WeakPolarHBondContact O-CG 3.41Å; Q26-M30 PolarHBondContact O-N 2.94Å |
| 27 | A | 93.4 | Very high | 90.8 | Very high | 60 Ų | 60 | 83.5 Ų | 83.5 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A23 A24 M30 A31 | A23-A27 WeakPolarHBondContact O-CB 3.43Å; A23-A27 PolarHBondContact O-N 3.45Å; A24-A27 PolarHBondContact O-N 3.15Å; A27-M30 PolarHBondContact O-N 3.27Å; A27-A31 WeakPolarHBondContact O-CB 3.25Å; A27-A31 PolarHBondContact O-N 3.43Å |
| 28 | Q | 89.5 | Confident | 90.8 | Very high | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.4 | -174.8 | -178.8 | 70 | 0 | 0 | 112 | A24 M25 Q26 A31 R32 | A24-Q28 PolarHBondContact O-N 3.32Å; M25-Q28 PolarHBondContact O-N 3.32Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q26-Q28 PolarHBondContact O-N 2.97Å; Q28-A31 PolarHBondContact O-N 3.23Å; Q28-R32 WeakPolarHBondContact O-CG 3.47Å; Q28-R32 PolarHBondContact O-N 2.8Å; Q28-R32 VanDerWaalsContact O-N 3.12Å |
| 29 | L | 88.1 | Confident | 90.8 | Very high | 94 Ų | 94 | 92 Ų | 92 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 176.9 | -179.4 | 61.6 | 0 | 0 | 0 | 111.3 | M25 Q26 A31 R32 V33 P42 | M25-L29 WeakPolarHBondContact O-CB 3.49Å; M25-L29 PolarHBondContact O-N 2.9Å; Q26-L29 PolarHBondContact O-N 3.37Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.48Å; L29-R32 PolarHBondContact O-N 3.08Å; L29-R32 VanDerWaalsContact O-N 3.15Å; L29-V33 WeakPolarHBondContact O-CG2 3.3Å; L29-V33 PolarHBondContact O-N 3.1Å; L29-P42 HydrophobicContact CD1-CG 3.77Å |
| 30 | M | 87.8 | Confident | 90.9 | Very high | 130 Ų | 130 | 86.3 Ų | 86.3 | 64% | 0.64 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 178.8 | -67.8 | -61 | -84 | 0 | 0 | 111.9 | Q26 A27 R32 V33 N34 | Q26-M30 WeakPolarHBondContact O-CB 3.42Å; Q26-M30 WeakPolarHBondContact O-CG 3.41Å; Q26-M30 PolarHBondContact O-N 2.94Å; A27-M30 PolarHBondContact O-N 3.27Å; M30-R32 VanDerWaalsContact C-N 3.34Å; M30-R32 PolarHBondContact O-N 2.78Å; M30-V33 VanDerWaalsContact O-CG2 3.25Å; M30-V33 WeakPolarHBondContact O-CG2 3.35Å; M30-V33 HydrophobicContact SD-CG2 4.31Å; M30-N34 WeakPolarHBondContact O-CB 3.48Å; M30-N34 PolarHBondContact O-N 3.24Å; M30-N34 VanDerWaalsContact O-N 3.08Å |
| 31 | A | 87.8 | Confident | 90.9 | Very high | 70 Ų | 70 | 86.1 Ų | 86.1 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.5 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A27 Q28 L29 N34 | A27-A31 WeakPolarHBondContact O-CB 3.25Å; A27-A31 PolarHBondContact O-N 3.43Å; Q28-A31 PolarHBondContact O-N 3.23Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.48Å; A31-N34 WeakPolarHBondContact O-CB 3.3Å; A31-N34 PolarHBondContact O-N 2.9Å |
| 32 | R | 85.6 | Confident | 90.7 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 40% | 0.404 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.1 | -44.7 | 177.6 | -74.6 | -174.3 | 173.8 | -147.8 | -0.6 | 112.8 | Q28 L29 M30 N34 Y36 P42 | Q28-R32 WeakPolarHBondContact O-CG 3.47Å; Q28-R32 PolarHBondContact O-N 2.8Å; Q28-R32 VanDerWaalsContact O-N 3.12Å; L29-R32 PolarHBondContact O-N 3.08Å; L29-R32 VanDerWaalsContact O-N 3.15Å; M30-R32 VanDerWaalsContact C-N 3.34Å; M30-R32 PolarHBondContact O-N 2.78Å; R32-N34 PolarHBondContact O-N 3.46Å; R32-Y36 WeakPolarHBondContact O-CD1 3.15Å; R32-Y36 WeakPolarHBondContact O-CE1 3.43Å; R32-P42 HydrophobicContact CB-CB 4.25Å; R32-P42 HydrophobicContact CB-CG 4.21Å |
| 33 | V | 88.4 | Confident | 90.6 | Very high | 41 Ų | 41 | 80.2 Ų | 80.2 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.3 | -12.3 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | L29 M30 G35 Y36 P42 | L29-V33 WeakPolarHBondContact O-CG2 3.3Å; L29-V33 PolarHBondContact O-N 3.1Å; M30-V33 VanDerWaalsContact O-CG2 3.25Å; M30-V33 WeakPolarHBondContact O-CG2 3.35Å; M30-V33 HydrophobicContact SD-CG2 4.31Å; V33-G35 PolarHBondContact O-N 2.73Å; V33-Y36 VanDerWaalsContact O-CB 3.25Å; V33-Y36 WeakPolarHBondContact O-CB 3.49Å; V33-Y36 PolarHBondContact O-N 3.04Å; V33-P42 HydrophobicContact CG1-CG 3.76Å |
| 34 | N | 88.7 | Confident | 90.3 | Very high | 123 Ų | 123 | 84 Ų | 84 | 66% | 0.658 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 125.2 | -178 | -170 | 41.8 | 0 | 0 | 0 | 110.7 | M30 A31 R32 Y36 | M30-N34 WeakPolarHBondContact O-CB 3.48Å; M30-N34 PolarHBondContact O-N 3.24Å; M30-N34 VanDerWaalsContact O-N 3.08Å; A31-N34 WeakPolarHBondContact O-CB 3.3Å; A31-N34 PolarHBondContact O-N 2.9Å; R32-N34 PolarHBondContact O-N 3.46Å; N34-Y36 VanDerWaalsContact C-N 3.33Å |
| 35 | G | 89.7 | Confident | 89.8 | Confident | 40 Ų | 40 | 89.7 Ų | 89.7 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V33 K66 K67 | V33-G35 PolarHBondContact O-N 2.73Å; G35-K66 CarbonylContact O-C 3.56Å; G35-K66 WeakPolarHBondContact O-CA 3.25Å; G35-K67 PolarHBondContact O-N 3.14Å |
| 36 | Y | 92.5 | Very high | 89.5 | Confident | 21 Ų | 21 | 89.5 Ų | 89.5 | 8% | 0.082 | 46% | 0.463 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 151.9 | 173.8 | -82.8 | 33.4 | 0 | 0 | 0 | 111.9 | R32 V33 N34 C40 P42 C48 D62 C65 K66 | R32-Y36 WeakPolarHBondContact O-CD1 3.15Å; R32-Y36 WeakPolarHBondContact O-CE1 3.43Å; V33-Y36 VanDerWaalsContact O-CB 3.25Å; V33-Y36 WeakPolarHBondContact O-CB 3.49Å; V33-Y36 PolarHBondContact O-N 3.04Å; N34-Y36 VanDerWaalsContact C-N 3.33Å; Y36-C40 HydrophobicContact CD2-CB 3.8Å; Y36-C40 HydrophobicContact CG-CB 4.4Å; Y36-P42 HydrophobicContact CE2-CB 4.19Å; Y36-C48 HydrophobicContact CD2-CB 4.37Å; Y36-C48 HydrophobicContact CE2-CB 3.42Å; Y36-C48 VanDerWaalsContact CE2-CB 3.42Å; Y36-D62 HydrophobicContact CE1-CB 4.33Å; Y36-D62 VanDerWaalsContact OH-CG 3.26Å; Y36-D62 PolarHBondContact OH-OD1 3.15Å; Y36-C65 CarbonylContact C-O 3.48Å; Y36-C65 WeakPolarHBondContact CA-O 3.34Å; Y36-C65 HydrophobicContact CD2-CB 3.98Å; Y36-C65 HydrophobicContact CE2-CB 4.05Å; Y36-C65 HydrophobicContact CG-CB 4.24Å; Y36-K66 HydrophobicContact CD1-CG 3.85Å; Y36-K66 HydrophobicContact CE1-CG 4.15Å |
| 37 | R | 91.3 | Very high | 89.5 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 26% | 0.26 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 156.9 | 167.4 | -78.1 | -170.2 | -61.9 | -87.7 | 9.6 | 110.4 | K39 C40 E52 E64 C65 K66 K67 | R37-K39 PolarHBondContact O-N 3.4Å; R37-C40 HydrophobicContact CB-CB 4.41Å; R37-C40 VanDerWaalsContact CB-SG 3.51Å; R37-C40 VanDerWaalsContact O-CB 3.3Å; R37-C40 WeakPolarHBondContact O-CB 3.03Å; R37-C40 PolarHBondContact O-N 2.94Å; R37-C40 VanDerWaalsContact O-N 3.1Å; R37-E52 IonicContact NE-OE1 3.81Å; R37-E64 PolarHBondContact NH1-O 3.3Å; R37-E64 PolarHBondContact NH2-O 3.17Å; R37-C65 PolarHBondContact N-O 3.46Å; R37-K66 PolarHBondContact NH1-O 3.37Å; R37-K67 HydrophobicContact CB-CG 4.22Å; R37-K67 HydrophobicContact CG-CB 4.49Å; R37-K67 HydrophobicContact CG-CD 4.22Å; R37-K67 HydrophobicContact CG-CG 3.34Å |
| 38 | E | 90.7 | Very high | 89.5 | Confident | 153 Ų | 153 | 81.9 Ų | 81.9 | 72% | 0.715 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 140.3 | 175.1 | -71.4 | 174.5 | 91.7 | 0 | 0 | 110.2 | C40 K67 | E38-C40 PolarHBondContact O-N 2.97Å; E38-K67 IonicContact OE2-NZ 3.29Å; E38-K67 PolarHBondContact OE2-NZ 3.14Å |
| 39 | K | 92.1 | Very high | 89.7 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 23.2 | -175.1 | -48 | -179.1 | 178.7 | -179.5 | 0 | 114.4 | R37 Y41 C50 E51 | R37-K39 PolarHBondContact O-N 3.4Å; K39-Y41 WeakPolarHBondContact O-CE2 3.49Å; K39-C50 CarbonylContact O-C 3.51Å; K39-C50 WeakPolarHBondContact O-CA 3.44Å; K39-E51 HydrophobicContact CB-CB 3.99Å; K39-E51 HydrophobicContact CD-CB 4.37Å; K39-E51 PolarHBondContact O-N 2.86Å |
| 40 | C | 93.7 | Very high | 90 | Very high | 7 Ų | 7 | 76 Ų | 76 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.3 | 166.9 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | Y36 R37 E38 R49 C50 C65 | Y36-C40 HydrophobicContact CD2-CB 3.8Å; Y36-C40 HydrophobicContact CG-CB 4.4Å; R37-C40 HydrophobicContact CB-CB 4.41Å; R37-C40 VanDerWaalsContact CB-SG 3.51Å; R37-C40 VanDerWaalsContact O-CB 3.3Å; R37-C40 WeakPolarHBondContact O-CB 3.03Å; R37-C40 PolarHBondContact O-N 2.94Å; R37-C40 VanDerWaalsContact O-N 3.1Å; E38-C40 PolarHBondContact O-N 2.97Å; C40-R49 CarbonylContact C-O 3.49Å; C40-R49 VanDerWaalsContact CA-O 3.3Å; C40-R49 WeakPolarHBondContact CA-O 3.42Å; C40-C50 HydrophobicContact CB-CB 4.12Å; C40-C50 WeakPolarHBondContact CB-SG 3.07Å; C40-C50 WeakPolarHBondContact SG-CB 3.01Å; C40-C50 CovalentContact SG-SG 2.02Å; C40-C50 PolarHBondContact SG-SG 2.88Å; C40-C65 HydrophobicContact CB-CB 3.99Å |
| 41 | Y | 91.9 | Very high | 90.3 | Very high | 119 Ų | 119 | 73.7 Ų | 73.7 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.4 | -175.3 | -53.9 | -83.6 | 0 | 0 | 0 | 110.5 | K39 C48 R49 | K39-Y41 WeakPolarHBondContact O-CE2 3.49Å; Y41-C48 CarbonylContact O-C 3.52Å; Y41-C48 VanDerWaalsContact O-CA 3.27Å; Y41-C48 WeakPolarHBondContact O-CA 3.48Å; Y41-C48 WeakPolarHBondContact O-CB 3.47Å; Y41-R49 PolarHBondContact N-O 3.2Å; Y41-R49 PolarHBondContact O-N 3.18Å |
| 42 | P | 91.2 | Very high | 90.3 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 145.8 | 177.4 | 27.2 | -35.9 | 0 | 0 | 0 | 110.3 | L29 R32 V33 Y36 | L29-P42 HydrophobicContact CD1-CG 3.77Å; R32-P42 HydrophobicContact CB-CB 4.25Å; R32-P42 HydrophobicContact CB-CG 4.21Å; V33-P42 HydrophobicContact CG1-CG 3.76Å; Y36-P42 HydrophobicContact CE2-CB 4.19Å |
| 43 | M | 90.7 | Very high | 90.4 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 22% | 0.217 | 38% | 0.377 | C | S | . | . | trans | -91.9 | 156.7 | 172.2 | -68.2 | -168.4 | -71.6 | 0 | 0 | 111 | K45 D46 G47 R49 R58 Y59 | M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3.48Å; M43-D46 WeakPolarHBondContact CE-O 3.5Å; M43-G47 PolarHBondContact N-O 3.35Å; M43-R49 HydrophobicContact CG-CB 4.38Å; M43-R58 HydrophobicContact CE-CB 4.43Å; M43-R58 HydrophobicContact SD-CG 4.37Å; M43-Y59 VanDerWaalsContact CE-O 3.31Å; M43-Y59 WeakPolarHBondContact CE-O 3.49Å | ||
| 44 | P | 86.2 | Confident | 90.5 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 86% | 0.857 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -62.6 | -30.3 | -178 | -25.8 | 34.7 | 0 | 0 | 0 | 115.2 | ||
| 45 | K | 83.8 | Confident | 90.6 | Very high | 180 Ų | 180 | 78.8 Ų | 78.8 | 78% | 0.783 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -86.9 | -89.7 | 176.8 | -67.2 | -173.9 | 177.6 | -174.5 | 0 | 109.5 | M43 | M43-K45 VanDerWaalsContact C-N 3.29Å; M43-K45 PolarHBondContact O-N 3.48Å |
| 46 | D | 85.8 | Confident | 90.8 | Very high | 122 Ų | 122 | 80.5 Ų | 80.5 | 65% | 0.652 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -143.8 | 151.4 | -178.2 | -64.3 | -77.8 | 0 | 0 | 0 | 109.9 | M43 | M43-D46 WeakPolarHBondContact CE-O 3.5Š|
| 47 | G | 90.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 80 | -161.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | M43 Y59 K60 D62 | M43-G47 PolarHBondContact N-O 3.35Å; G47-Y59 WeakPolarHBondContact CA-O 3.46Å; G47-K60 WeakPolarHBondContact CA-O 3.19Å; G47-K60 PolarHBondContact N-O 3.12Å; G47-D62 PolarHBondContact N-OD2 3.43Å; G47-D62 VanDerWaalsContact N-OD2 3.14Å |
| 48 | C | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 152.4 | -162.2 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | Y36 Y41 R58 Y59 C65 | Y36-C48 HydrophobicContact CD2-CB 4.37Å; Y36-C48 HydrophobicContact CE2-CB 3.42Å; Y36-C48 VanDerWaalsContact CE2-CB 3.42Å; Y41-C48 CarbonylContact O-C 3.52Å; Y41-C48 VanDerWaalsContact O-CA 3.27Å; Y41-C48 WeakPolarHBondContact O-CA 3.48Å; Y41-C48 WeakPolarHBondContact O-CB 3.47Å; C48-R58 WeakPolarHBondContact O-CA 2.89Å; C48-Y59 PolarHBondContact N-O 3.34Å; C48-Y59 PolarHBondContact O-N 1.97Å; C48-C65 HydrophobicContact CB-CB 3.65Å; C48-C65 WeakPolarHBondContact CB-SG 3.35Å; C48-C65 WeakPolarHBondContact SG-CB 3.31Å; C48-C65 CovalentContact SG-SG 1.97Å; C48-C65 PolarHBondContact SG-SG 3.17Å |
| 49 | R | 93.3 | Very high | 91.1 | Very high | 81 Ų | 81 | 84.3 Ų | 84.3 | 31% | 0.306 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123.5 | 179.6 | 176.1 | -174.3 | 167 | -110.2 | -10.9 | 108.8 | C40 Y41 M43 E51 V56 K57 R58 | C40-R49 CarbonylContact C-O 3.49Å; C40-R49 VanDerWaalsContact CA-O 3.3Å; C40-R49 WeakPolarHBondContact CA-O 3.42Å; Y41-R49 PolarHBondContact N-O 3.2Å; Y41-R49 PolarHBondContact O-N 3.18Å; M43-R49 HydrophobicContact CG-CB 4.38Å; R49-E51 IonicContact CZ-OE1 3.34Å; R49-E51 IonicContact NH1-OE1 3.24Å; R49-E51 PolarHBondContact NH1-OE1 2.71Å; R49-E51 IonicContact NH2-OE1 2.78Å; R49-E51 PolarHBondContact NH2-OE1 3.31Å; R49-V56 HydrophobicContact CG-CG1 3.59Å; R49-V56 VanDerWaalsContact NH2-CG2 3.26Å; R49-K57 CarbonylContact C-O 3.52Å; R49-K57 VanDerWaalsContact CA-O 3.32Å; R49-K57 WeakPolarHBondContact CA-O 3.22Å; R49-R58 HydrophobicContact CB-CG 4.46Å; R49-R58 HydrophobicContact CG-CG 4.41Å |
| 50 | C | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 142.1 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | K39 C40 E52 V56 K57 Y59 C65 | K39-C50 CarbonylContact O-C 3.51Å; K39-C50 WeakPolarHBondContact O-CA 3.44Å; C40-C50 HydrophobicContact CB-CB 4.12Å; C40-C50 WeakPolarHBondContact CB-SG 3.07Å; C40-C50 WeakPolarHBondContact SG-CB 3.01Å; C40-C50 CovalentContact SG-SG 2.02Å; C40-C50 PolarHBondContact SG-SG 2.88Å; C50-E52 HydrophobicContact CB-CG 4Å; C50-V56 WeakPolarHBondContact O-CA 3.37Å; C50-K57 PolarHBondContact N-O 2.91Å; C50-K57 PolarHBondContact O-N 2.8Å; C50-Y59 HydrophobicContact CB-CE2 4.02Å; C50-C65 PolarHBondContact SG-SG 3.26Å |
| 51 | E | 93.7 | Very high | 90.9 | Very high | 80 Ų | 80 | 93.9 Ų | 93.9 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 100.2 | 169.8 | -54.9 | -170.6 | -165.5 | 0 | 0 | 109.7 | K39 R49 K55 V56 | K39-E51 HydrophobicContact CB-CB 3.99Å; K39-E51 HydrophobicContact CD-CB 4.37Å; K39-E51 PolarHBondContact O-N 2.86Å; R49-E51 IonicContact CZ-OE1 3.34Å; R49-E51 IonicContact NH1-OE1 3.24Å; R49-E51 PolarHBondContact NH1-OE1 2.71Å; R49-E51 IonicContact NH2-OE1 2.78Å; R49-E51 PolarHBondContact NH2-OE1 3.31Å; E51-K55 WeakPolarHBondContact CA-O 2.9Å; E51-V56 HydrophobicContact CG-CG2 4.49Å |
| 52 | E | 89.1 | Confident | 90.7 | Very high | 47 Ų | 47 | 90.4 Ų | 90.4 | 22% | 0.22 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.8 | -176.2 | -60.3 | -175.7 | 138 | 0 | 0 | 109.5 | R37 C50 G54 K55 K57 Y59 | R37-E52 IonicContact NE-OE1 3.81Å; C50-E52 HydrophobicContact CB-CG 4Å; E52-G54 VanDerWaalsContact C-N 3.28Å; E52-G54 PolarHBondContact O-N 3.31Å; E52-K55 PolarHBondContact N-O 2.65Å; E52-K55 WeakPolarHBondContact O-CA 3.32Å; E52-K55 WeakPolarHBondContact O-CB 3.39Å; E52-K55 PolarHBondContact O-N 2.02Å; E52-K55 VanDerWaalsContact O-O 3.11Å; E52-K57 WeakPolarHBondContact OE2-CD 3.49Å; E52-K57 VanDerWaalsContact OE2-CE 3.22Å; E52-K57 WeakPolarHBondContact OE2-CE 3.27Å; E52-K57 IonicContact OE2-NZ 2.71Å; E52-K57 PolarHBondContact OE2-NZ 2.82Å; E52-Y59 PolarHBondContact OE2-OH 2.8Å |
| 53 | N | 87.6 | Confident | 90.6 | Very high | 163 Ų | 163 | 94.9 Ų | 94.9 | 87% | 0.872 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 40.3 | 178.4 | -57.9 | -26.5 | 0 | 0 | 0 | 114.1 | K55 | N53-K55 PolarHBondContact O-N 2.93Š|
| 54 | G | 89.3 | Confident | 90.6 | Very high | 86 Ų | 86 | 95.9 Ų | 95.9 | 89% | 0.887 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 3.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E52 | E52-G54 VanDerWaalsContact C-N 3.28Å; E52-G54 PolarHBondContact O-N 3.31Å |
| 55 | K | 92 | Very high | 90.8 | Very high | 152 Ų | 152 | 89.6 Ų | 89.6 | 66% | 0.661 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.9 | 176 | -63 | -177.6 | -178.3 | 179.9 | 0 | 110.4 | E51 E52 N53 | E51-K55 WeakPolarHBondContact CA-O 2.9Å; E52-K55 PolarHBondContact N-O 2.65Å; E52-K55 WeakPolarHBondContact O-CA 3.32Å; E52-K55 WeakPolarHBondContact O-CB 3.39Å; E52-K55 PolarHBondContact O-N 2.02Å; E52-K55 VanDerWaalsContact O-O 3.11Å; N53-K55 PolarHBondContact O-N 2.93Å |
| 56 | V | 93.6 | Very high | 91.1 | Very high | 76 Ų | 76 | 85.4 Ų | 85.4 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.3 | 173 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | R49 C50 E51 | R49-V56 HydrophobicContact CG-CG1 3.59Å; R49-V56 VanDerWaalsContact NH2-CG2 3.26Å; C50-V56 WeakPolarHBondContact O-CA 3.37Å; E51-V56 HydrophobicContact CG-CG2 4.49Å |
| 57 | K | 93.2 | Very high | 91.1 | Very high | 93 Ų | 93 | 88.8 Ų | 88.8 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.3 | 169.1 | -61.4 | -163.5 | -162.5 | 149.7 | 0 | 110.5 | R49 C50 E52 Y59 | R49-K57 CarbonylContact C-O 3.52Å; R49-K57 VanDerWaalsContact CA-O 3.32Å; R49-K57 WeakPolarHBondContact CA-O 3.22Å; C50-K57 PolarHBondContact N-O 2.91Å; C50-K57 PolarHBondContact O-N 2.8Å; E52-K57 WeakPolarHBondContact OE2-CD 3.49Å; E52-K57 VanDerWaalsContact OE2-CE 3.22Å; E52-K57 WeakPolarHBondContact OE2-CE 3.27Å; E52-K57 IonicContact OE2-NZ 2.71Å; E52-K57 PolarHBondContact OE2-NZ 2.82Å; K57-Y59 HydrophobicContact CB-CE2 4.02Å |
| 58 | R | 93.7 | Very high | 91.1 | Very high | 186 Ų | 186 | 93.2 Ų | 93.2 | 70% | 0.702 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.2 | 175.3 | -65.6 | -177.2 | 179.5 | -170.2 | -0.6 | 108.7 | M43 C48 R49 | M43-R58 HydrophobicContact CE-CB 4.43Å; M43-R58 HydrophobicContact SD-CG 4.37Å; C48-R58 WeakPolarHBondContact O-CA 2.89Å; R49-R58 HydrophobicContact CB-CG 4.46Å; R49-R58 HydrophobicContact CG-CG 4.41Å |
| 59 | Y | 93.4 | Very high | 91 | Very high | 44 Ų | 44 | 98.1 Ų | 98.1 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.9 | 177.3 | -61.3 | -82 | 0 | 0 | 0 | 109.2 | M43 G47 C48 C50 E52 K57 E64 C65 | M43-Y59 VanDerWaalsContact CE-O 3.31Å; M43-Y59 WeakPolarHBondContact CE-O 3.49Å; G47-Y59 WeakPolarHBondContact CA-O 3.46Å; C48-Y59 PolarHBondContact N-O 3.34Å; C48-Y59 PolarHBondContact O-N 1.97Å; C50-Y59 HydrophobicContact CB-CE2 4.02Å; E52-Y59 PolarHBondContact OE2-OH 2.8Å; K57-Y59 HydrophobicContact CB-CE2 4.02Å; Y59-E64 HydrophobicContact CD1-CB 3.62Å; Y59-E64 HydrophobicContact CD1-CG 4.28Å; Y59-E64 HydrophobicContact CE1-CB 4.41Å; Y59-E64 HydrophobicContact CG-CB 3.73Å; Y59-C65 WeakPolarHBondContact CD2-SG 3.34Å |
| 60 | K | 92 | Very high | 90.9 | Very high | 180 Ų | 180 | 99.1 Ų | 99.1 | 78% | 0.783 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -82 | -24.3 | -175.9 | -69.7 | -177.3 | 179.4 | 179.5 | 0 | 111.9 | G47 E64 | G47-K60 WeakPolarHBondContact CA-O 3.19Å; G47-K60 PolarHBondContact N-O 3.12Å; K60-E64 PolarHBondContact N-OE2 2.83Å; K60-E64 VanDerWaalsContact N-OE2 3.14Å |
| 61 | R | 90.4 | Very high | 90.7 | Very high | 161 Ų | 161 | 104.9 Ų | 104.9 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -120.3 | 136.8 | -178.1 | -56.5 | 178.1 | -66.5 | 175.3 | 0.6 | 110.2 | I63 E64 | R61-I63 HydrophobicContact CB-CG2 3.89Å; R61-I63 PolarHBondContact O-N 2.54Å; R61-E64 HydrophobicContact CB-CG 4.24Å; R61-E64 PolarHBondContact N-OE2 3.03Å; R61-E64 VanDerWaalsContact N-OE2 3.09Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 2.98Å |
| 62 | D | 87.4 | Confident | 90.5 | Very high | 46 Ų | 46 | 106.4 Ų | 106.4 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -55.6 | -34.4 | 178.1 | -69.3 | -117.6 | 0 | 0 | 0 | 113.2 | Y36 G47 E64 C65 K66 | Y36-D62 HydrophobicContact CE1-CB 4.33Å; Y36-D62 VanDerWaalsContact OH-CG 3.26Å; Y36-D62 PolarHBondContact OH-OD1 3.15Å; G47-D62 PolarHBondContact N-OD2 3.43Å; G47-D62 VanDerWaalsContact N-OD2 3.14Å; D62-E64 PolarHBondContact O-N 3.43Å; D62-E64 VanDerWaalsContact O-N 3.17Å; D62-C65 PolarHBondContact O-N 2.8Å; D62-K66 PolarHBondContact O-N 3.09Å |
| 63 | I | 89.1 | Confident | 90.6 | Very high | 120 Ų | 120 | 110.4 Ų | 110.4 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -58.1 | -29.4 | 178.7 | -165 | 165.6 | 0 | 0 | 0 | 112.3 | R61 C65 K66 | R61-I63 HydrophobicContact CB-CG2 3.89Å; R61-I63 PolarHBondContact O-N 2.54Å; I63-C65 PolarHBondContact O-N 3.02Å; I63-K66 PolarHBondContact O-N 3.01Å |
| 64 | E | 90.9 | Very high | 90.8 | Very high | 64 Ų | 64 | 106.6 Ų | 106.6 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -69.6 | -24.6 | -179.8 | -62.1 | -178.6 | 95.3 | 0 | 0 | 111.8 | R37 Y59 K60 R61 D62 | R37-E64 PolarHBondContact NH1-O 3.3Å; R37-E64 PolarHBondContact NH2-O 3.17Å; Y59-E64 HydrophobicContact CD1-CB 3.62Å; Y59-E64 HydrophobicContact CD1-CG 4.28Å; Y59-E64 HydrophobicContact CE1-CB 4.41Å; Y59-E64 HydrophobicContact CG-CB 3.73Å; K60-E64 PolarHBondContact N-OE2 2.83Å; K60-E64 VanDerWaalsContact N-OE2 3.14Å; R61-E64 HydrophobicContact CB-CG 4.24Å; R61-E64 PolarHBondContact N-OE2 3.03Å; R61-E64 VanDerWaalsContact N-OE2 3.09Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 2.98Å; D62-E64 PolarHBondContact O-N 3.43Å; D62-E64 VanDerWaalsContact O-N 3.17Å |
| 65 | C | 91 | Very high | 90.9 | Very high | 0 Ų | 0 | 108.2 Ų | 108.2 | 0% | 0 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -94.7 | -7.1 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | Y36 R37 C40 C48 C50 Y59 D62 I63 | Y36-C65 CarbonylContact C-O 3.48Å; Y36-C65 WeakPolarHBondContact CA-O 3.34Å; Y36-C65 HydrophobicContact CD2-CB 3.98Å; Y36-C65 HydrophobicContact CE2-CB 4.05Å; Y36-C65 HydrophobicContact CG-CB 4.24Å; R37-C65 PolarHBondContact N-O 3.46Å; C40-C65 HydrophobicContact CB-CB 3.99Å; C48-C65 HydrophobicContact CB-CB 3.65Å; C48-C65 WeakPolarHBondContact CB-SG 3.35Å; C48-C65 WeakPolarHBondContact SG-CB 3.31Å; C48-C65 CovalentContact SG-SG 1.97Å; C48-C65 PolarHBondContact SG-SG 3.17Å; C50-C65 PolarHBondContact SG-SG 3.26Å; Y59-C65 WeakPolarHBondContact CD2-SG 3.34Å; D62-C65 PolarHBondContact O-N 2.8Å; I63-C65 PolarHBondContact O-N 3.02Å |
| 66 | K | 89.7 | Confident | 90.8 | Very high | 93 Ų | 93 | 104.6 Ų | 104.6 | 40% | 0.404 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -76.5 | 149.9 | 178.6 | -69.2 | -178.6 | 176.5 | -173.3 | 0 | 111.4 | G35 Y36 R37 D62 I63 | G35-K66 CarbonylContact O-C 3.56Å; G35-K66 WeakPolarHBondContact O-CA 3.25Å; Y36-K66 HydrophobicContact CD1-CG 3.85Å; Y36-K66 HydrophobicContact CE1-CG 4.15Å; R37-K66 PolarHBondContact NH1-O 3.37Å; D62-K66 PolarHBondContact O-N 3.09Å; I63-K66 PolarHBondContact O-N 3.01Å |
| 67 | K | 85.3 | Confident | 90.6 | Very high | 192 Ų | 192 | 107.2 Ų | 107.2 | 84% | 0.835 | 46% | 0.461 | S | S | * | . | trans | -84.1 | 0 | 169.2 | -75.7 | -173.2 | 178.6 | -179 | 0 | 110 | G35 R37 E38 | G35-K67 PolarHBondContact O-N 3.14Å; R37-K67 HydrophobicContact CB-CG 4.22Å; R37-K67 HydrophobicContact CG-CB 4.49Å; R37-K67 HydrophobicContact CG-CD 4.22Å; R37-K67 HydrophobicContact CG-CG 3.34Å; E38-K67 IonicContact OE2-NZ 3.29Å; E38-K67 PolarHBondContact OE2-NZ 3.14Å |
Retrieved 67 of 67 residues in 30.6 ms
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